#DEFINITION	Reference Metabolome for Solanum nigrum
#IDENTTFIER	RefMeta-Solanum nigrum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Solanum nigrum
#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 Solanum nigrum 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	989.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45123	0.3
69.53556	0.3
71.01379	7.8
75.00910	0.4
75.95208	0.4
77.03969	2.3
77.04334	0.4
88.98793	0.8
89.02419	0.3
89.03973	1.2
93.03471	1.1
95.05016	5.6
105.03458	19.4
106.04285	0.8
109.02970	1.3
111.00815	0.5
113.02412	0.5
115.00375	9.2
116.92850	0.7
121.02975	2.2
123.04532	1.7
132.02176	1.2
133.02954	100.0
134.03770	13.6
135.04546	3.9
137.02438	7.8
139.04022	2.6
149.02446	0.5
150.03246	0.8
159.04495	0.6
161.05919	0.3
177.01923	66.3
178.02692	21.5
179.03479	9.3
183.10252	3.7
187.03928	0.6
195.13802	0.5
223.13300	0.4
243.17680	0.4
253.09280	1.2
253.71671	0.3
275.20117	0.4
281.11890	0.8
293.21249	4.2
299.12842	2.2
327.16104	0.7
419.19238	0.6
529.30481	0.5
535.22028	0.5
553.23029	0.7
562.11621	0.4
589.85724	0.4
695.40430	3.2
811.42780	2.6
829.43652	13.8
830.43390	1.8
873.42676	32.9
874.43097	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	989.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.4
69.64920	4.9
71.01378	69.2
72.01727	0.9
72.99301	3.5
73.02944	17.5
74.44286	0.9
75.00893	1.3
79.39030	0.7
83.01385	14.4
85.02950	32.2
86.00072	4.5
87.00877	13.3
89.02441	14.4
95.01386	8.1
96.96055	0.9
97.02951	7.2
99.00872	11.4
101.02437	53.1
105.03440	2.5
109.02932	1.4
111.00892	3.2
112.01700	1.0
113.02444	32.5
115.00387	5.5
119.03515	3.5
121.02934	1.4
125.02406	5.0
127.04008	0.9
129.01962	1.6
129.09164	1.0
133.01421	6.9
133.02948	14.1
134.03757	2.6
135.04501	2.6
137.02396	4.4
141.01901	1.1
143.03491	6.1
143.04436	1.1
159.03058	1.9
161.04573	13.7
167.71785	1.0
177.01910	6.1
178.02534	3.1
179.03487	2.1
206.50487	0.8
209.11899	1.5
285.66901	0.9
388.24918	1.0
563.39429	2.3
579.38995	18.2
580.39453	1.4
723.43292	3.3
741.44568	8.0
742.45380	0.9
809.34265	1.8
837.37793	1.9
841.37390	1.2
855.39703	2.9
885.48444	84.0
886.48621	10.9
903.49518	100.0
904.49750	13.1
945.50537	97.3
946.50769	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	987.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
76.91155	0.2
93.03429	0.2
96.95996	0.5
97.02942	0.3
99.50050	0.2
107.01363	0.3
109.02917	1.2
115.00343	0.4
121.02950	2.1
133.01404	0.4
151.00388	0.5
163.00453	0.3
165.01907	7.1
171.04480	0.3
175.03972	0.3
179.03586	0.2
182.76570	0.2
191.03528	0.2
193.01373	1.1
199.04018	0.7
201.01923	0.2
215.03502	0.4
226.02609	0.3
227.03442	1.3
229.14145	0.2
229.82100	0.2
242.02209	0.2
243.02939	2.0
254.02141	0.5
255.02940	0.7
259.06250	0.3
269.04370	1.0
270.01712	0.2
271.02444	25.3
272.02887	1.6
285.03964	1.0
286.04794	0.3
287.05621	0.6
297.04077	0.2
299.01926	47.2
300.02524	4.1
313.03278	0.2
314.04279	54.6
315.05017	20.4
315.08978	0.3
316.05444	0.8
357.06116	0.7
494.77774	0.2
518.01526	0.2
624.13214	0.2
627.15479	0.2
629.21619	0.3
639.15570	100.0
640.15900	10.9
641.16705	0.3
708.02179	0.2
816.85797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67085	0.5
69.67498	0.7
71.01379	8.6
72.99323	0.3
77.03968	2.4
78.40231	0.2
83.05013	0.4
89.02448	0.3
89.03964	1.4
91.27613	0.2
92.67788	0.2
93.03459	1.3
95.05018	5.1
95.20404	0.2
96.05386	0.2
101.02447	0.4
105.03455	18.1
106.04321	1.0
108.84740	0.2
109.02955	1.3
109.16867	0.2
111.00887	0.5
115.00365	9.7
116.00643	0.2
121.02969	1.9
123.04538	2.0
132.02170	0.8
133.02953	100.0
134.03763	19.6
134.05212	0.3
135.04529	5.2
137.02432	11.4
137.32388	0.2
138.02733	0.3
139.04015	3.6
149.02419	0.5
150.03229	1.2
151.04024	0.7
159.04494	0.4
163.11176	0.3
165.01921	0.4
172.05327	0.2
177.01921	51.6
178.02698	23.2
179.03482	8.5
183.13882	0.4
187.04002	0.9
188.04741	0.5
202.06314	0.6
209.11810	8.7
210.12183	0.5
211.11481	0.4
211.13364	5.2
212.13852	0.2
216.47687	0.2
217.12378	0.3
227.12904	1.1
253.09261	0.8
283.13364	0.8
294.16199	0.2
299.16504	0.6
301.14569	0.4
309.14899	1.9
327.15964	5.0
328.16312	0.3
345.17001	0.7
445.20734	0.7
447.22064	0.6
563.24866	0.5
581.25842	1.2
621.32605	0.7
639.33832	2.5
640.34357	0.3
657.34662	2.0
773.37665	2.1
791.38519	13.9
792.38782	1.8
823.40344	0.3
835.37518	26.9
836.37811	3.3
867.40198	15.8
868.40332	2.1
983.41345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62019	0.4
69.30185	1.8
69.30602	1.5
71.01378	15.6
72.99288	0.7
77.03968	2.3
81.03442	0.5
83.05018	0.8
85.02957	0.5
86.04523	0.4
86.79729	0.4
87.00872	0.6
89.02431	1.6
89.03953	1.7
93.03455	2.1
95.05013	5.7
96.96001	0.8
101.02426	1.2
105.03455	17.3
106.04263	2.1
108.02171	1.3
109.02946	13.2
111.00854	0.8
113.02417	0.5
115.00363	19.9
119.05084	0.4
121.02950	5.9
123.04535	2.8
124.01658	1.7
126.24763	0.4
132.02197	1.2
133.01457	18.0
133.02945	100.0
134.03741	31.7
135.04521	8.8
137.02428	24.5
139.04001	8.3
145.02957	0.9
145.74690	0.4
146.03700	1.1
149.02409	1.2
150.03223	2.1
151.03984	0.5
158.03702	0.9
159.04501	5.7
160.05276	0.5
161.02454	6.1
161.06053	10.8
162.03227	1.2
162.06885	0.9
163.11311	0.7
165.01898	1.0
171.04489	0.6
172.05243	2.2
173.06039	1.1
174.03230	0.8
174.06790	0.5
176.04774	1.4
177.01915	36.6
177.05444	1.3
178.02698	40.5
179.03494	7.6
184.05289	1.1
185.06067	0.8
187.03989	6.9
187.07610	1.9
188.04727	3.5
194.02167	1.9
197.06056	2.0
198.06804	1.4
201.05531	1.1
202.06306	5.8
204.04346	0.8
205.05011	1.5
207.13872	2.2
209.11803	14.9
209.13808	0.7
211.13371	6.8
217.12273	0.9
227.12802	0.9
235.13380	2.1
243.13850	1.3
250.04803	1.7
253.09264	0.8
255.13892	0.7
257.15533	0.5
262.62778	0.5
281.15466	0.9
283.13391	7.2
284.13660	0.6
293.02945	0.6
294.03815	7.9
295.04102	0.6
298.15350	0.5
299.16446	4.2
301.14511	4.1
302.14743	0.5
309.14932	11.4
310.15155	0.6
327.15979	38.6
328.16263	1.7
345.16977	6.3
353.14023	0.6
447.22049	0.8
545.24365	0.5
563.25116	2.1
581.26001	10.3
582.26428	1.1
639.33948	1.9
657.35120	1.6
713.33990	0.9
747.35791	0.8
755.37079	0.6
773.37323	12.4
774.38403	1.0
791.38501	88.7
792.38892	11.3
817.35962	4.0
818.37927	0.6
823.40924	2.3
835.37512	26.0
836.37512	4.0
849.39325	2.2
867.40198	16.6
868.40912	2.3
983.41931	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	983.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	25.2
71.52116	0.4
72.99305	4.5
73.02951	0.6
81.03455	0.4
83.05015	1.3
84.02178	0.4
85.02964	0.7
87.00868	1.7
89.02441	3.6
96.96024	0.8
99.77694	0.4
101.02456	1.4
105.03475	0.5
110.69686	0.4
113.02458	0.6
115.00366	54.6
116.00711	0.9
125.06043	0.4
130.04276	0.8
133.01425	58.7
133.02840	3.0
134.01799	0.7
134.03745	1.3
135.04523	0.8
137.02420	0.6
146.03743	0.9
158.03719	2.2
159.04509	4.4
160.05275	3.1
163.11243	1.2
165.12883	0.9
172.05290	10.4
173.06056	5.2
174.06801	1.5
177.01901	2.4
178.02705	1.1
179.03482	0.9
183.04520	0.7
184.05263	0.7
185.06047	2.3
186.06859	1.4
187.03987	6.2
187.07608	1.2
191.05692	0.4
191.10764	0.4
197.06050	0.8
198.06883	0.5
199.04059	1.7
200.04793	1.4
201.05562	3.6
202.06328	8.0
204.04268	3.9
209.11804	15.0
210.12105	0.6
211.07616	0.8
211.13293	0.5
213.05530	0.5
213.09027	0.4
227.03479	4.4
227.07103	0.4
227.12845	0.6
228.04257	1.5
230.47397	0.3
232.03767	0.5
239.14395	1.0
253.09254	0.4
255.13892	1.6
257.15482	1.4
265.12299	0.7
275.09177	0.7
281.15482	0.9
283.13373	100.0
284.13739	5.8
285.14886	1.7
285.72156	0.4
297.14905	0.4
299.16510	2.6
301.14426	19.2
302.14761	1.2
309.14935	7.5
310.15283	0.6
311.12866	5.7
312.13138	0.5
315.04959	0.7
325.14523	0.9
327.12640	1.0
327.15982	25.3
328.16333	1.6
329.13861	1.0
345.16968	4.9
353.13882	3.2
371.14908	1.3
382.06830	0.6
383.14963	0.4
480.13742	0.7
481.14038	0.6
487.32565	0.4
537.23352	1.3
563.24683	0.9
581.25952	5.3
582.25928	0.8
625.25098	1.0
747.35797	1.6
773.36865	3.2
775.35510	0.5
791.38489	40.1
792.38770	4.6
805.35864	0.4
817.36475	5.4
818.37250	0.8
823.40765	1.2
835.37518	78.5
836.37915	10.1
849.38702	1.5
867.40186	35.1
868.40619	4.9
983.40894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	39.5
72.99318	7.9
87.00874	2.4
89.02447	7.5
101.02448	2.9
105.03457	2.0
115.00369	82.9
116.92847	2.3
126.95918	1.1
128.18311	1.4
133.01427	96.2
133.02859	5.9
134.03725	3.1
153.07092	1.3
158.03670	5.1
159.04506	6.9
160.05266	3.6
172.05293	14.6
173.06026	6.9
174.03096	1.5
174.06712	1.8
177.01929	5.1
178.02670	2.1
185.05986	1.2
186.06761	2.0
187.03961	9.7
197.06114	1.8
198.06854	1.6
199.03964	1.3
200.04733	1.9
201.05530	3.9
202.06291	6.9
204.04312	2.5
211.07545	1.7
227.03468	3.5
230.01248	1.3
249.18607	8.7
255.13913	2.0
257.15472	3.9
281.15515	8.1
283.13385	73.5
284.13721	3.6
285.14917	2.5
299.16452	4.4
301.14438	19.6
302.14951	1.3
309.14923	45.9
310.15311	2.9
311.13123	6.1
317.17517	1.7
327.15964	50.2
328.16318	3.0
329.13959	2.9
345.17148	7.6
353.13922	4.6
471.94800	1.1
487.20154	1.3
545.23749	1.1
563.24829	12.1
581.26044	11.0
607.24225	2.6
625.25012	2.3
769.41034	1.5
795.43066	28.2
796.43640	4.5
797.41284	4.7
798.42633	1.4
813.44318	63.0
814.44403	8.5
839.42169	18.4
840.42670	2.8
857.43231	100.0
858.43396	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	973.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41866	1.5
71.01378	9.4
72.99317	0.2
77.03958	2.5
79.88830	0.2
87.00883	0.3
89.02453	0.3
89.03931	1.4
93.03469	1.4
93.57148	0.2
95.05017	5.3
105.03454	17.2
106.04295	1.2
109.02934	1.1
111.00874	0.5
115.00362	10.4
115.27856	0.2
116.92802	0.2
121.02949	2.4
123.04517	1.7
124.01624	0.3
132.02184	1.1
133.01363	4.1
133.02946	100.0
134.03749	21.2
135.04530	4.6
137.02434	12.5
138.02774	0.5
139.04013	4.2
149.02422	0.7
150.03203	1.5
151.03972	0.4
159.04485	0.4
165.01976	0.6
177.01912	71.4
178.02687	27.3
179.03484	7.4
183.10243	0.3
183.13924	0.3
187.03989	0.6
202.06363	0.5
211.13387	6.1
249.18533	2.6
253.09230	0.3
271.13550	1.1
277.21707	0.7
283.13339	0.5
299.12885	0.5
299.16248	0.2
309.14944	1.3
327.15927	3.4
328.16226	0.3
345.16986	0.5
351.20154	0.2
378.50793	0.2
427.29004	0.2
447.22217	1.1
563.24573	0.7
581.25940	1.7
679.40466	2.5
795.43274	1.7
796.43585	0.2
813.44214	11.7
814.45117	1.8
839.42578	0.7
857.43195	26.4
858.43451	3.7
864.15533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70959	0.9
69.78618	0.2
71.01378	8.8
72.99321	0.3
73.02953	0.2
77.03953	2.6
81.74001	0.2
81.90491	0.2
83.01418	0.2
87.00890	0.2
88.98817	1.1
89.02448	0.4
89.03976	1.3
93.03440	1.3
95.05022	5.1
97.06557	0.2
98.20605	0.3
101.02447	0.3
105.03455	18.4
106.04298	0.8
109.02942	1.6
111.00890	0.3
113.02464	0.2
115.00364	8.3
119.03472	0.2
121.02955	2.0
123.04511	2.0
132.02153	0.7
133.02951	100.0
134.03764	15.0
134.89508	0.2
135.04532	6.2
136.04826	0.2
137.02434	9.5
138.02771	0.2
139.04004	3.4
145.03035	0.2
149.02437	0.8
150.03229	1.0
151.03996	0.6
154.63141	0.1
155.10774	0.3
159.04463	0.5
161.02414	0.4
161.04633	0.3
161.06082	0.8
162.03082	0.2
165.01909	0.3
172.05186	0.2
173.06049	0.2
177.01918	74.3
178.02687	22.7
179.03487	9.5
180.03844	0.3
183.10243	3.9
187.03998	0.6
187.07732	0.2
188.04776	0.4
196.32430	0.2
197.06102	0.2
202.06303	0.3
211.13278	0.4
215.10817	0.2
235.08229	0.3
249.18402	0.2
253.09227	0.4
255.10255	0.5
255.23193	1.2
271.13324	0.4
273.11285	0.2
277.21698	7.0
278.22128	0.2
281.11789	1.0
283.13269	0.3
299.12863	3.2
309.14630	0.4
317.13895	0.5
327.16086	1.0
345.17010	0.2
397.13397	0.6
401.18149	0.3
419.19299	0.3
513.30420	0.4
535.21881	0.4
553.22888	0.6
581.25690	0.5
679.40613	2.4
680.40881	0.3
720.36151	0.2
795.42963	2.2
796.44403	0.3
813.44275	13.3
814.44739	1.8
839.41888	0.3
857.43268	21.8
858.43604	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	967.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.5
70.24561	0.8
70.24940	0.6
71.01012	0.6
71.01378	7.2
72.99280	0.9
73.02940	1.0
83.01395	0.4
85.02943	1.5
86.22743	0.3
87.00896	1.7
89.02444	6.9
95.05020	0.4
96.95986	0.4
97.02948	0.6
99.00881	0.7
101.02449	4.9
111.00838	0.4
113.02428	3.3
119.03503	1.7
122.08054	0.3
125.02448	2.1
133.02953	0.5
141.01910	0.3
143.03468	1.1
146.11755	0.4
161.04521	1.4
171.10286	0.3
179.05606	2.2
183.10182	0.4
195.13869	6.6
205.12216	0.6
209.11879	0.5
211.13315	0.5
221.06578	1.2
221.08824	0.3
223.13380	4.5
224.13843	0.4
228.13623	0.8
231.21071	0.5
235.08197	1.8
249.02269	0.4
256.13287	0.8
275.20175	4.7
276.20520	0.4
287.07727	0.7
291.19736	0.5
293.21201	100.0
294.21576	5.5
305.08749	0.7
309.77524	0.4
317.21164	0.7
323.09750	0.5
379.12347	1.1
397.13467	16.2
398.13669	1.0
415.14484	10.1
415.19882	0.6
434.34741	0.3
569.42108	1.4
654.27264	0.4
673.34656	1.8
674.35931	0.4
691.35437	3.6
692.35864	0.5
948.86395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71031	0.3
69.71363	1.6
71.01378	11.1
72.99291	0.4
77.03957	3.2
87.00880	0.5
89.02457	0.6
89.03970	1.2
93.03465	1.0
95.05016	5.5
96.96013	0.6
99.15622	0.3
101.02454	0.7
105.03451	17.1
106.04230	0.8
109.02917	1.8
111.00892	0.6
113.02469	0.4
115.00362	10.8
121.02932	2.8
123.04491	1.9
127.11253	0.3
132.02162	0.9
133.01537	4.4
133.02948	100.0
134.03760	16.7
135.04515	5.7
137.02429	11.2
139.03999	3.2
149.02394	0.9
150.03210	1.3
151.03960	1.0
159.04482	0.6
161.02417	0.3
161.05930	0.4
165.01974	0.5
173.06049	0.4
175.04059	0.3
177.01912	45.8
177.65427	0.3
178.02689	23.3
179.03479	8.3
183.13937	0.3
187.03976	0.9
188.04826	0.6
199.51512	0.3
201.11320	3.9
202.06291	0.5
207.13808	0.4
209.11783	6.5
211.11494	0.6
211.13365	8.5
214.06204	0.3
215.06993	0.3
227.12845	1.0
235.08205	0.4
253.09329	0.7
283.13309	1.2
296.46698	0.3
299.16348	0.6
301.14319	0.6
309.15012	2.1
327.15967	6.3
328.16296	0.6
345.17099	1.1
371.15033	0.9
445.21091	0.5
447.22543	1.4
568.24237	0.4
581.26135	1.5
582.26282	0.4
613.32678	0.4
621.33276	0.5
631.32953	2.6
639.33813	3.0
657.35266	1.9
738.48755	0.3
747.35760	0.9
763.10822	0.3
765.36877	4.7
766.37360	0.4
773.37732	1.4
791.38373	11.6
792.38934	1.4
809.36499	6.7
810.37146	1.0
835.37512	13.4
836.37775	2.3
853.38513	27.9
854.38892	4.5
969.39661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51743	94.1
103.28790	31.1
112.98575	47.3
133.02924	36.3
202.42737	31.9
209.11766	100.0
287.25177	37.8
305.99255	36.5
324.91937	33.1
506.03854	35.1
575.34796	34.6
598.07434	40.2
698.04938	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58470	0.4
71.01381	1.0
72.99303	0.2
73.02935	0.2
75.57506	0.1
79.95733	2.1
80.96512	1.0
83.01377	0.2
85.02930	0.4
87.00856	0.1
89.02441	0.6
94.98096	0.1
95.01350	0.1
95.95228	0.9
96.96008	47.5
97.95953	0.1
98.19805	0.1
101.02434	0.8
113.02434	0.4
119.03553	0.1
122.97587	0.7
138.97069	0.8
143.03488	0.1
150.97069	1.0
152.98627	0.1
160.22052	0.1
164.98601	0.3
165.18774	0.1
180.98154	0.5
192.33812	0.1
198.99171	0.3
201.27277	0.1
206.29053	0.1
222.99234	0.1
225.00787	0.3
241.00211	2.1
300.02707	0.2
301.03485	0.1
341.09076	100.0
342.09393	4.0
342.13623	0.1
625.14075	0.2
626.14667	0.1
627.15259	0.1
863.46100	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	965.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36674	0.1
72.99343	0.1
83.01382	0.5
85.02903	0.1
87.00865	0.1
91.01902	0.2
93.03452	0.6
96.96010	0.7
98.20679	0.3
101.02444	0.2
107.01373	1.0
108.02186	0.1
109.02952	0.2
115.00407	0.2
120.08452	0.1
132.02167	0.4
135.00871	0.5
136.74727	0.1
143.04965	0.3
147.04492	0.2
151.00371	2.4
153.01881	0.3
157.06592	0.2
159.04488	0.4
163.00346	1.1
164.01152	0.2
165.01865	0.2
167.05000	0.1
169.01370	0.3
169.06561	0.4
171.04489	0.4
173.06166	0.2
174.03210	0.2
175.03949	0.2
178.99855	0.4
179.10767	0.4
183.04520	0.3
185.06062	0.8
187.03989	0.8
189.05513	0.4
190.99869	0.2
195.04576	0.2
197.05997	0.3
199.03981	0.4
200.04918	0.2
201.05637	0.3
211.03963	0.9
212.04706	0.2
213.05544	0.7
217.04828	0.1
223.03859	0.2
227.03482	18.8
228.03883	0.9
229.05046	3.5
230.05217	0.1
239.03494	0.7
240.04173	0.4
241.05057	0.5
255.02969	36.2
256.03577	3.5
257.04514	2.7
267.02969	0.4
269.04556	0.2
283.02344	0.4
284.03241	56.4
285.03983	31.4
286.04388	1.5
294.66611	0.1
299.05603	0.2
326.12991	0.1
327.05203	1.2
341.09128	1.1
342.09409	0.2
357.06204	0.3
447.09079	0.2
504.50226	0.2
609.14551	100.0
610.14886	9.2
782.75995	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	964.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57201	5.2
71.01381	46.9
73.02932	8.2
75.76690	5.8
83.01419	6.5
83.60679	4.6
85.02959	9.3
87.00892	6.8
89.02437	6.7
101.02464	28.9
107.86582	5.8
113.02418	15.5
177.41364	6.1
201.11253	20.5
209.11746	19.8
227.82307	6.8
229.56714	5.5
277.21869	6.3
397.13492	13.1
637.11621	6.8
742.43384	9.6
901.48145	12.6
903.48352	16.5
904.48810	100.0
930.80054	6.6
964.47540	53.0
965.46655	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	958.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00973	100.0
73.14085	25.3
79.15738	22.6
79.18950	23.6
98.20626	50.1
98.23646	21.7
119.08571	23.5
147.80750	23.1
174.38582	24.6
185.44673	24.7
209.11748	55.1
255.23363	48.1
299.92853	25.1
315.95197	23.2
371.27853	22.9
585.58521	28.0
638.06592	30.6
676.64392	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73504	0.3
71.01376	1.7
73.02967	0.3
83.13769	0.3
86.16231	0.3
92.15746	0.3
93.03447	1.0
97.02863	0.3
101.02423	0.3
101.47490	0.3
105.03452	0.3
109.02952	1.4
115.00352	1.2
119.05034	0.7
121.02964	1.1
133.01410	1.3
133.02953	2.0
134.03839	0.5
135.04520	0.9
137.02399	0.3
139.04034	0.3
151.00308	0.5
163.03963	0.5
165.01929	4.3
177.01894	0.8
178.02675	0.8
179.03465	0.5
183.10133	0.3
191.05614	0.6
193.01338	1.1
199.03929	0.9
199.36728	0.3
199.74863	0.3
201.11188	0.3
209.11745	0.4
215.03601	0.4
226.02577	0.4
227.03516	1.3
243.03030	2.3
254.02203	0.4
255.03052	0.6
269.04565	1.1
270.01688	0.6
270.04697	0.2
271.02457	27.8
272.02856	1.4
275.09280	0.6
285.04004	1.6
287.05612	0.4
299.01938	53.6
300.02423	3.5
313.03589	0.4
314.04285	68.4
315.04904	9.9
316.05304	0.3
380.51163	0.3
383.07938	0.4
409.06143	0.3
457.13696	0.4
459.14349	0.4
468.82843	0.4
477.09723	0.5
557.12903	0.6
608.17291	0.3
609.14551	100.0
610.14838	7.9
763.35590	0.3
807.34747	0.4
825.35211	1.1
843.36627	0.5
959.33154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01015	1.1
71.01379	19.5
71.06631	0.8
71.06947	1.1
77.03954	1.8
83.05031	3.0
89.02438	1.6
89.03963	1.3
93.03469	2.5
95.05016	4.9
96.96025	0.8
101.02454	1.3
105.03461	18.0
106.04237	1.0
109.02949	16.6
110.03316	1.0
111.00880	2.1
115.00359	23.3
117.01927	0.7
120.21262	0.6
121.02967	6.3
122.03694	1.0
123.04536	1.7
124.01660	4.8
132.02216	1.1
133.01457	25.0
133.02951	100.0
134.03760	37.0
135.04535	9.9
137.02438	28.3
139.04002	9.1
145.02948	1.2
146.03778	1.2
148.05334	0.7
149.02417	1.5
150.03256	3.6
151.03966	1.2
159.04520	4.4
159.05608	0.7
160.05203	0.8
161.02454	8.7
161.04810	1.4
161.06073	13.7
162.03300	0.7
162.06813	1.4
163.00533	0.7
165.01955	1.5
172.05363	1.1
173.06097	1.5
174.03125	1.2
176.04782	1.6
177.01924	37.5
177.05486	1.2
178.02701	49.7
179.03500	8.2
181.08701	5.7
183.13942	1.1
187.03972	6.2
187.07573	1.7
188.04767	2.9
191.05583	1.0
194.02196	1.9
197.06094	1.9
198.06837	2.1
201.05623	1.2
202.06343	4.8
205.05051	1.9
205.12297	1.2
207.13890	2.8
209.11841	1.9
211.13443	5.3
235.13435	2.8
243.13821	0.8
250.04947	1.1
253.09293	1.1
283.13345	7.4
294.03806	8.1
294.74139	0.7
299.16565	2.9
301.14471	5.6
309.14935	12.1
310.15308	1.2
317.17667	0.9
327.15997	38.0
328.16406	2.0
345.17007	6.8
345.87619	0.7
441.70212	0.7
447.22699	1.0
563.25299	2.2
581.25824	13.1
629.32458	1.4
727.32477	0.8
745.34149	9.2
746.34998	1.5
763.35382	81.6
764.35736	10.3
789.32837	4.9
795.38062	1.5
807.34369	32.8
808.34875	3.5
821.36865	4.1
822.36877	1.1
839.37097	17.8
839.61505	0.9
840.37396	2.9
939.04456	0.8
955.39246	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	955.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45303	0.2
69.37428	1.9
69.92752	0.3
71.01378	8.1
77.03960	2.3
83.01369	0.3
83.05048	0.6
89.02445	0.5
89.03958	1.4
93.03450	1.6
95.05025	5.1
95.62327	0.2
101.02421	0.4
104.17574	0.2
105.03457	16.4
106.04244	0.9
109.02945	1.2
111.00864	0.5
115.00366	9.1
121.02944	1.9
123.04553	1.9
132.02174	0.9
133.01349	3.0
133.02953	100.0
134.03767	15.1
135.04526	5.9
137.02431	8.9
139.04008	3.0
149.02440	0.6
150.03200	0.9
151.04015	0.4
159.04500	0.3
159.83148	0.3
161.02489	0.3
163.11311	0.5
165.01953	0.3
177.01920	54.2
178.02695	19.9
179.03493	9.0
181.08679	0.6
183.04601	0.2
183.10255	4.2
187.03935	0.5
188.04739	0.3
199.93742	0.2
202.06357	0.4
209.11810	8.8
210.12144	0.4
211.13365	0.8
227.12920	1.1
234.45242	0.2
253.09212	0.7
255.10175	0.6
271.13406	0.3
281.11722	1.1
283.13162	0.4
299.12891	3.8
317.14001	0.4
327.16003	0.5
362.90839	0.2
419.19223	0.2
445.20697	0.6
447.22137	0.4
463.21637	0.3
510.19009	0.3
525.34546	0.2
535.21533	0.5
553.22571	0.8
581.26099	0.3
593.29749	0.6
611.30444	2.3
612.30780	0.4
629.31531	1.9
745.34686	2.2
746.35114	0.5
763.35376	13.1
764.35675	1.7
807.34424	23.8
808.34875	3.2
839.37024	13.1
840.37323	2.2
955.39081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65824	0.9
71.01363	2.1
72.99310	0.4
73.02944	0.8
75.90091	0.3
79.95737	1.8
80.96500	0.7
83.01380	0.4
85.02943	0.9
87.00863	0.4
89.02431	0.4
93.03452	0.3
95.79803	0.3
95.95227	1.9
96.96004	47.4
97.13935	0.3
99.00892	0.5
101.02425	1.1
107.01368	0.9
108.02190	0.5
113.02419	0.6
119.01395	0.3
121.02979	0.5
122.97553	0.5
133.01390	0.7
135.04498	0.7
138.97069	0.7
148.01640	0.5
150.97054	0.9
151.00360	3.7
159.02959	0.3
161.04539	0.4
163.00439	0.4
164.01131	0.3
168.98193	0.5
175.12508	0.3
177.01982	0.3
177.02617	0.3
177.04041	2.8
178.99852	2.1
179.03375	0.8
179.10805	0.9
180.97971	0.3
199.03944	0.4
213.00694	0.6
225.07652	0.3
226.02760	0.5
227.03471	1.1
228.04279	0.4
241.00230	1.6
243.02928	4.1
245.04588	0.3
254.02174	0.9
255.02963	11.9
256.03345	0.8
256.99707	2.6
269.10324	0.6
271.02441	26.1
272.02829	2.2
273.04044	0.6
284.03189	0.8
299.01898	1.1
300.02719	60.0
301.03333	8.8
311.11481	0.5
341.09070	100.0
342.09369	4.5
433.14331	0.4
463.08954	0.4
479.21060	0.5
509.27136	0.3
582.78381	0.3
595.12988	70.4
596.13300	7.5
609.14362	1.3
622.82990	0.3
753.57178	0.3
911.47742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36051	1.1
71.01378	0.7
71.05013	1.0
83.01360	0.7
87.46442	0.4
99.08152	9.3
107.01403	1.8
108.02164	1.8
115.00365	1.0
118.03506	0.4
121.02940	0.8
126.58540	0.4
127.07644	7.8
129.05574	26.4
130.05899	0.6
133.01436	0.6
135.00891	0.9
145.08676	0.8
145.94054	0.4
148.01700	0.6
151.00375	6.4
152.01155	0.7
163.00330	0.5
163.03986	0.5
164.01207	0.7
165.80319	0.4
167.31239	0.4
170.04021	0.4
171.06615	1.7
178.99846	4.5
189.07672	34.6
190.08076	0.8
215.03308	0.5
226.02597	0.7
227.03491	1.8
243.02956	7.0
244.03450	0.9
254.02226	1.7
255.02954	20.6
256.03436	1.1
271.02454	43.2
272.02917	3.7
273.03995	0.5
299.01862	2.4
300.02728	90.0
301.03357	13.5
343.04565	0.5
447.11407	0.9
757.18250	100.0
758.18738	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	951.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.5
96.95977	0.3
101.03944	0.3
102.89409	0.2
104.70664	0.3
107.01397	1.6
108.02191	0.7
109.02934	0.5
119.05015	3.3
121.02956	0.9
124.01591	0.2
135.00870	0.6
137.02475	0.2
148.01675	0.6
151.00360	7.0
151.01585	0.3
163.00323	1.4
164.01149	0.5
169.01389	0.3
174.18181	0.3
175.04001	0.3
178.99843	3.7
190.02698	0.2
190.99864	0.4
199.03922	0.3
201.05469	0.2
211.03978	0.4
215.03453	0.4
226.02661	0.9
227.03522	1.3
229.05089	0.3
243.02962	4.8
244.03500	0.7
245.04500	0.3
254.02130	1.1
254.16490	0.2
255.02960	14.0
256.03342	0.5
257.04297	0.3
270.42261	0.3
271.02454	33.4
272.02988	2.0
273.04083	0.5
283.02469	0.6
299.01974	0.9
300.02716	63.3
301.03430	20.3
302.03741	0.6
325.09293	0.8
341.09195	0.7
343.04486	0.7
344.03009	0.2
597.38385	0.2
625.14038	100.0
626.14355	9.2
879.86298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46002	9.2
70.33836	18.3
70.34233	16.6
71.01385	42.3
79.95716	16.7
80.96483	23.0
83.01359	9.0
84.81671	8.8
86.50375	8.3
87.00858	8.9
88.98743	9.4
89.02440	24.5
97.02913	13.4
101.02405	26.7
109.06551	45.5
125.02419	11.7
135.18776	10.2
141.54170	10.7
153.63933	9.0
163.11261	20.4
164.94473	7.7
207.10265	82.0
208.10536	30.1
209.11824	65.1
209.13461	9.7
221.06625	10.2
225.11328	48.1
226.11586	17.1
227.12776	9.9
250.17828	8.6
277.21661	100.0
278.21936	28.5
397.13336	44.5
398.13617	15.9
415.14270	9.8
606.24475	13.1
622.21265	10.7
827.51660	11.0
884.47821	66.6
885.46497	12.3
945.46948	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4695
Annotation	Elephanoside D
Peak:m/z	Relative Intensity
64.76608	0.9
69.03461	1.3
71.01379	98.8
71.51118	1.7
72.99300	6.7
73.02946	15.8
75.00899	0.9
76.31336	0.9
83.01376	9.6
85.02463	1.8
85.02946	26.2
87.00871	9.4
87.99604	0.9
89.02442	54.2
95.01388	6.5
96.95998	1.9
97.02946	6.2
99.00862	4.2
101.02437	65.2
111.00849	1.2
113.02447	39.7
115.00352	2.8
119.03513	12.3
125.02420	3.9
131.03494	9.3
133.01442	3.5
134.03664	1.7
135.04556	2.0
143.03490	8.1
159.02992	2.5
161.04544	17.7
179.05577	4.6
221.06670	12.8
263.07718	1.3
310.18637	1.1
383.11786	1.3
387.15012	1.0
468.94778	1.1
609.36389	6.3
771.41626	61.0
772.41968	10.1
933.46979	100.0
934.47064	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	937.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38631	5.1
71.01384	6.0
72.99307	2.9
73.02946	4.3
83.05012	1.5
85.02946	1.4
87.00920	0.9
89.02428	0.9
95.05019	1.5
96.95992	3.8
98.19883	1.0
99.00875	1.6
101.02436	1.5
102.87035	0.7
113.02454	2.1
115.00346	4.2
129.05563	1.1
133.01439	5.8
133.02972	1.3
134.03709	1.4
135.04544	1.3
137.02419	1.7
137.09691	2.9
137.20802	0.8
139.11285	54.5
140.11598	1.4
151.00420	3.8
151.04024	1.3
152.01143	1.0
155.10805	1.1
163.11270	2.8
165.09204	2.9
166.02715	11.3
167.03398	1.3
172.91591	0.8
177.01941	1.0
178.02692	1.5
179.03520	1.4
181.05034	12.2
181.12326	22.6
181.29308	0.8
182.12579	1.1
183.10252	55.9
184.10626	1.9
191.03389	1.0
191.05562	0.9
199.13373	10.1
205.05049	1.8
225.11299	17.9
243.12340	54.0
244.12706	1.8
275.09326	3.4
293.10379	0.8
371.14017	1.1
387.10519	1.5
387.14957	0.9
388.11490	1.5
395.13705	1.9
399.14682	1.2
402.13266	1.7
403.13919	4.8
417.15427	4.0
519.20728	2.7
555.74573	0.9
622.20453	0.9
632.22003	0.9
679.22394	2.1
693.23529	4.3
711.24854	1.0
757.25616	0.9
777.32739	1.9
919.35852	2.4
937.37030	100.0
938.37482	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	933.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68510	0.4
69.25945	4.2
71.01376	16.4
72.99307	3.0
88.84682	0.5
89.02441	1.9
93.03454	1.4
109.02950	3.5
109.03632	0.4
115.00365	38.2
121.02958	4.7
124.01533	0.7
128.29260	0.5
133.01422	46.3
135.04524	0.6
135.35529	0.5
137.02458	1.1
137.09016	0.6
139.04010	0.7
146.03687	0.6
148.01653	0.7
149.02394	1.9
159.04439	0.6
161.02414	1.3
170.03784	0.5
171.04465	1.4
174.03200	0.9
175.00298	1.5
175.04099	0.5
182.03630	0.6
183.04504	0.9
189.01871	1.1
195.04407	0.9
197.06053	0.5
198.03247	1.4
199.04012	1.6
211.03963	1.8
212.04668	0.8
213.01866	0.9
213.05548	1.2
215.03424	0.5
223.03978	2.7
224.04616	0.7
225.05421	0.8
226.02618	1.2
227.03496	3.1
228.04016	0.5
237.01898	0.6
239.03491	5.0
240.04257	2.5
241.01414	1.0
241.04985	4.8
242.02162	0.9
251.03448	1.3
252.04202	1.0
253.01466	2.2
254.02083	1.2
255.02951	3.9
255.06644	1.1
256.03668	1.6
257.04523	1.3
265.01312	0.6
266.02127	2.2
267.02957	9.0
268.03738	4.8
269.04529	3.7
270.05023	0.9
271.02545	1.1
274.99063	0.6
279.02979	2.3
280.03687	1.9
281.00983	0.7
281.04492	1.4
282.01749	1.4
283.02582	2.4
283.05652	0.7
284.03229	0.9
291.06506	1.1
293.04388	0.9
294.01569	0.8
295.02417	5.6
296.03238	2.7
297.03986	3.6
298.04639	0.9
299.05533	7.1
310.01172	1.0
311.02048	1.1
311.05585	1.9
315.06635	1.3
317.04791	0.6
317.08307	0.7
319.06180	0.7
321.04034	0.6
323.02057	4.9
324.02707	2.9
325.03479	6.5
331.06155	1.4
333.07504	1.2
338.04382	1.5
339.04996	1.6
343.05988	1.5
346.04712	1.2
359.05649	1.7
361.07162	5.3
375.04932	0.7
377.06671	0.6
387.05081	2.0
389.06512	0.9
405.06030	1.8
415.04654	1.0
416.05704	0.8
417.06277	4.4
431.03918	2.4
432.99683	0.7
433.05612	14.2
434.06076	2.1
448.07953	28.5
449.08691	13.6
450.08994	1.4
459.03525	12.2
460.04169	2.1
474.05832	7.0
475.06342	3.2
493.07568	1.2
580.68494	0.5
773.19263	100.0
774.05499	0.8
774.19525	15.0
799.17267	21.5
800.17395	4.1
817.18243	18.4
817.33862	0.8
818.18274	3.8
933.18085	0.7
959.00964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4896
Annotation	Asparagoside E
Peak:m/z	Relative Intensity
66.03310	0.6
70.01500	0.6
71.01377	37.1
71.51038	0.6
71.51438	1.1
72.01718	0.6
72.99297	1.7
73.02939	11.0
75.00866	0.9
80.55793	0.7
83.01377	8.0
85.02945	17.7
86.00081	1.8
87.00862	5.0
87.04514	0.8
89.02433	10.5
94.27938	0.7
95.01369	4.1
96.95990	1.0
97.02917	1.8
97.92235	0.6
99.00877	3.6
101.02434	34.3
108.02172	0.7
111.00875	2.0
113.02442	13.8
114.02763	0.6
115.00354	2.2
119.03497	2.3
125.02406	1.4
129.01967	1.4
131.03528	0.5
133.01427	3.0
133.02901	1.2
134.03725	1.3
135.04507	1.7
143.03520	1.5
159.03032	1.3
161.04524	5.0
179.03468	1.2
209.11906	0.9
231.67998	0.6
275.09262	1.4
298.75348	0.9
307.11356	0.7
550.80420	0.8
581.86292	0.6
595.38422	6.3
596.38837	1.0
605.27899	0.7
681.83099	0.7
696.43549	0.7
757.43811	11.8
758.44330	1.3
919.49054	100.0
920.49414	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	917.4745
Annotation	Macrostemonoside L
Peak:m/z	Relative Intensity
69.03454	2.6
71.01376	94.7
72.99306	6.8
73.02947	15.8
83.01382	13.6
85.02942	35.0
86.00094	1.9
87.00857	10.7
89.02432	24.9
90.81412	1.1
95.01391	6.3
96.95986	2.1
97.02953	6.9
99.00860	5.8
101.02431	57.2
111.00896	1.9
113.02438	38.0
114.02712	1.8
115.00351	5.2
115.61430	1.4
119.03468	6.0
125.02421	2.7
131.03467	5.4
133.01405	8.9
133.02936	1.7
134.03735	6.5
135.04495	3.9
143.03461	10.7
161.04549	19.8
178.02672	5.0
179.03400	2.4
179.05632	3.5
193.04979	1.6
204.11975	1.3
209.11667	3.1
221.06622	9.2
275.09152	6.1
276.09558	1.9
293.10208	2.2
383.29578	1.6
437.95343	2.1
535.78931	1.6
575.35870	4.9
593.36810	8.7
594.37616	2.3
595.04126	1.7
755.42126	84.2
756.42694	11.9
764.75610	1.5
902.73865	1.6
917.47388	100.0
918.47491	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	917.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	16.8
71.52151	3.1
72.99301	10.7
73.02940	5.4
80.54018	1.6
81.59377	1.4
85.02949	7.4
87.00847	1.7
89.02444	2.1
96.95969	2.9
99.00864	11.3
101.02444	11.3
109.02953	1.7
111.00903	2.0
113.02446	7.7
115.00363	7.7
121.03020	2.2
131.03441	2.1
133.01398	5.4
133.02969	2.4
133.10181	8.2
134.03760	3.4
135.04475	2.3
135.11789	25.7
137.02408	11.2
139.00430	2.1
139.03995	2.6
143.03496	2.8
149.02342	2.4
151.00345	18.5
151.04004	2.6
152.01068	2.0
152.04742	3.5
159.04576	1.8
159.08090	5.0
161.04576	3.4
161.09737	12.2
162.03227	2.3
166.02693	72.1
166.04083	4.0
167.03380	5.4
175.03899	3.4
177.01877	3.1
178.02702	4.0
179.03488	2.8
179.10757	100.0
180.11002	2.7
181.05046	78.6
190.02873	2.0
190.06387	2.3
191.03430	5.4
191.05542	3.5
192.04256	2.0
205.05020	6.4
205.08485	1.9
206.05774	4.2
207.06325	2.5
209.11836	4.7
221.08157	6.2
223.09749	13.3
275.09348	4.2
310.27042	1.8
326.34113	1.7
369.09531	4.7
384.12106	7.2
387.10361	13.5
387.14685	6.5
398.13437	2.3
399.14407	17.5
402.12915	8.5
403.13739	2.8
417.15485	73.0
418.15634	5.6
421.25607	2.4
463.26749	3.0
663.23096	9.2
675.22778	28.7
676.22852	5.8
681.24976	2.3
693.23895	68.3
694.24341	9.8
711.24957	89.1
712.25171	13.5
755.42682	3.8
917.32654	17.4
917.48352	6.2
918.34479	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	917.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.6
70.55899	1.9
71.01377	18.1
72.99300	1.2
73.02924	2.9
80.02675	1.7
81.03441	2.8
83.01388	2.0
83.05019	6.0
84.02157	1.1
85.02931	4.5
87.00888	4.2
89.02440	12.8
95.01407	0.7
95.05032	0.9
96.95991	2.5
97.02962	4.6
97.06629	0.8
97.45045	0.7
98.19928	0.8
99.00866	1.3
101.02437	14.1
104.67847	0.7
109.06585	1.2
111.00878	0.9
111.08148	5.1
113.02462	7.7
115.00341	1.0
116.92911	0.9
119.03529	3.6
123.08171	1.0
125.02478	3.5
125.06102	1.1
125.09670	0.9
133.01405	1.3
133.02901	1.1
133.05104	0.7
143.03511	1.6
151.11371	0.9
161.04533	2.5
163.11269	5.0
165.12793	4.5
169.12283	2.0
170.57921	0.8
171.10240	4.5
178.02664	0.8
179.05597	3.4
181.12358	2.0
183.13922	1.0
191.10796	1.9
197.11809	20.4
198.12181	1.1
199.13420	1.2
201.11406	0.9
207.10289	1.7
209.11807	100.0
210.12117	3.3
211.13339	5.1
221.06584	2.1
225.11246	2.5
227.12862	15.8
228.13286	1.2
235.08215	4.2
241.70921	0.7
247.20647	1.4
253.09245	1.4
263.20059	1.0
273.18472	0.8
287.07620	1.9
291.19626	21.6
292.19897	1.1
293.21292	5.3
305.08737	1.1
309.20685	68.4
310.21002	3.8
323.09753	1.9
379.12466	3.1
397.13470	40.0
398.13934	2.3
415.14594	13.9
501.32465	0.9
556.70532	0.7
607.26239	3.2
674.97437	0.7
676.50153	0.8
689.33893	2.5
702.54944	0.8
707.34595	2.2
917.46405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84252	0.5
70.84628	1.1
71.01378	3.7
71.02494	5.0
71.38259	0.6
72.00909	1.7
72.99306	0.8
73.04076	7.6
73.14950	0.7
74.02472	8.7
82.01716	2.3
82.02961	2.6
83.02502	2.1
83.03983	0.6
84.00876	2.5
85.02929	1.0
85.04063	4.8
87.05619	2.8
95.02461	1.2
96.95992	0.9
97.00418	1.3
97.04052	1.6
98.01212	1.7
98.02474	0.7
99.02001	11.2
101.02448	1.2
101.03552	1.5
110.01204	2.3
110.06087	1.1
111.02010	4.0
111.04392	0.7
113.03571	4.6
113.07191	2.0
115.00349	2.9
115.08773	14.0
116.05061	24.7
118.06641	3.2
120.04542	0.7
123.67958	0.7
125.02332	1.1
125.03513	1.3
125.07195	8.2
127.05135	3.8
127.08733	2.2
128.04684	1.8
129.03008	0.7
130.06561	1.9
131.04591	5.4
133.01413	2.6
133.02925	0.8
134.03685	0.7
135.04558	0.9
135.11809	1.7
137.02373	0.9
137.03574	1.0
137.07173	3.8
138.05495	0.7
139.05113	1.1
141.06689	12.6
142.06638	6.8
143.08241	2.4
145.01392	0.7
146.06111	3.4
147.04523	0.9
151.00351	1.0
152.08269	2.2
153.06691	11.9
154.09885	4.8
155.08224	2.9
157.07677	2.1
158.06100	6.5
159.09265	4.3
160.07629	3.8
161.07278	0.8
162.09187	0.8
163.08786	1.0
164.07228	0.8
166.02724	3.5
170.09341	19.1
172.10896	6.4
173.07190	2.8
175.08733	1.2
177.01918	1.1
178.02699	0.9
179.03264	0.8
179.04614	2.9
179.10759	5.0
180.07840	0.8
181.05017	4.5
182.09343	2.0
185.07210	1.8
186.05597	12.2
187.05049	6.4
189.06670	2.4
198.08795	2.8
201.06677	3.0
203.08261	28.0
204.08490	0.8
206.09319	2.0
209.11903	1.4
213.13959	0.8
214.09805	1.5
216.11467	1.6
217.09792	5.4
218.09398	1.1
220.10910	1.7
223.09865	1.1
224.10326	2.2
228.10269	2.3
241.13315	1.1
244.10907	0.9
245.12952	0.7
256.14566	4.3
257.12845	0.9
260.10355	7.2
261.08743	2.3
269.16245	0.7
271.12015	0.7
272.14175	1.1
274.15567	0.8
275.09024	0.8
282.12332	0.7
284.14249	0.7
299.15076	2.9
313.16574	1.1
317.16226	3.5
319.17938	0.9
322.41257	0.7
346.15591	14.1
347.15854	1.2
350.19876	0.7
353.16193	0.8
363.18268	1.2
371.17096	5.3
377.18341	1.0
390.14548	1.8
399.14493	1.5
403.16144	0.7
407.17285	0.9
408.17551	0.7
417.15411	3.9
506.24246	0.9
508.22000	1.2
526.20984	0.9
532.21906	1.9
544.21973	4.4
561.24628	14.8
562.24817	1.5
563.26208	1.8
615.25232	0.7
675.22974	1.1
691.28772	1.1
693.23553	3.1
708.12622	1.0
708.31445	25.5
709.32111	4.3
711.24933	5.0
898.38440	1.6
916.39954	100.0
917.40137	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	915.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	2.0
69.03434	0.6
69.31755	4.5
71.01378	29.3
72.99303	3.2
73.02936	5.6
75.00867	16.0
83.01384	4.9
85.02943	14.0
86.00056	0.6
87.00869	2.2
89.02444	8.2
95.01387	4.3
96.96017	2.7
97.02969	0.9
98.20663	1.1
99.00877	15.7
101.02440	13.6
111.00904	0.9
112.01652	1.0
113.02448	10.0
115.00355	2.5
119.03448	1.6
129.01939	0.9
133.01384	1.6
133.02962	1.2
134.03729	0.7
135.04500	0.8
139.00227	0.6
157.01392	1.0
159.03050	0.6
161.04558	0.7
177.01785	0.6
178.02576	0.8
209.11816	1.6
285.93753	0.6
309.25739	0.7
668.12897	0.6
915.49530	100.0
916.49707	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	915.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28028	7.0
69.28436	2.7
71.01378	100.0
71.21127	1.2
72.99301	6.5
73.02945	15.4
75.00872	1.8
81.03441	1.4
83.01389	9.1
84.23956	1.1
85.02941	27.0
87.00866	8.4
89.02445	44.6
95.01381	7.0
96.96004	2.2
97.02937	4.6
99.00863	5.6
101.02441	56.4
113.02444	33.1
115.00354	6.6
119.03478	9.0
125.02465	2.2
131.03481	5.7
133.01419	9.0
133.02927	1.5
133.10223	1.5
134.03734	1.6
135.04506	3.8
143.03491	8.2
159.03021	1.2
161.04553	16.8
161.79443	1.1
177.09209	2.6
179.03375	1.9
179.05597	4.3
221.06543	10.3
231.10146	1.4
263.29230	1.2
275.09222	4.6
383.12192	1.5
591.35229	3.8
648.82410	1.5
706.74921	1.4
753.40564	73.8
754.40839	10.3
765.54364	1.3
824.81842	1.5
915.45978	97.5
916.46033	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.0
71.01378	48.0
72.99316	2.0
73.02945	24.9
74.02473	4.4
83.01388	8.7
83.05016	11.8
85.02944	20.3
86.34048	1.1
87.00868	3.6
89.02436	20.7
95.01380	4.2
97.02992	1.7
98.20681	2.2
99.00875	6.0
101.02435	33.8
113.02446	22.3
113.03166	1.8
114.66162	1.1
115.00387	1.5
115.07601	2.4
119.03497	11.5
129.61436	1.1
131.03477	1.4
133.01427	1.6
143.03490	3.1
149.04593	2.9
159.02936	1.7
159.10274	10.2
161.04555	17.8
162.04855	1.3
170.64978	1.4
179.05620	8.6
191.05685	2.1
201.12810	1.2
203.05569	1.4
229.01219	1.3
229.12248	2.9
243.13821	1.5
245.15445	3.6
247.13313	2.0
299.16376	1.6
313.16544	4.7
317.17963	1.4
331.17542	18.1
335.18500	2.2
373.18640	100.0
374.19156	6.0
376.01532	1.4
477.28397	1.7
495.29599	96.6
496.29990	10.0
599.92285	1.3
649.24847	1.9
667.26196	4.3
739.28320	1.6
757.29089	5.9
823.35358	2.1
913.38867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.6
71.01377	2.5
71.51077	0.5
72.99285	0.5
76.85969	0.3
83.01378	0.5
85.87710	0.3
88.85152	0.3
89.02411	0.5
96.96010	1.2
99.14471	0.3
107.01335	1.7
108.02164	0.7
109.02959	0.4
115.00358	6.1
119.05016	5.2
121.02945	1.0
125.84086	0.3
133.01421	15.1
141.39795	0.3
144.08672	0.4
148.01620	0.5
151.00349	6.3
163.00337	1.0
163.04007	4.2
164.01172	0.5
178.99828	3.3
199.04111	0.4
219.24850	0.3
226.02676	1.0
227.03477	1.3
229.04951	0.4
243.02934	5.1
244.03421	0.5
254.02148	1.4
255.02960	15.8
256.03375	1.0
271.02448	31.5
272.03033	2.3
273.03912	0.6
279.05008	1.2
283.02560	0.4
299.01956	0.6
300.02710	70.3
301.03424	22.2
302.03748	1.0
341.08853	1.9
343.04565	0.7
625.14014	100.0
626.14386	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	901.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66941	0.4
67.01917	0.5
68.99791	0.4
69.03454	2.0
71.01380	73.2
71.51070	0.4
71.51482	0.4
72.01703	0.8
72.99310	3.7
73.02943	13.2
73.63835	0.4
75.00858	0.8
79.95712	0.4
80.96512	1.7
81.03448	0.6
83.01383	9.1
83.90331	0.4
84.02176	0.5
85.02950	28.9
86.00095	2.6
86.03260	0.5
87.00871	9.6
88.98805	0.4
89.02444	22.7
94.98095	0.5
95.01392	6.0
97.02951	5.5
99.00877	5.7
101.02440	49.7
109.02994	0.4
111.00887	0.7
112.01667	0.7
113.02447	32.7
114.02815	1.1
115.04016	0.9
119.03494	6.2
125.02443	3.4
129.01944	0.5
131.03523	4.2
143.03488	7.2
159.03004	1.7
161.04544	16.3
163.11365	0.7
171.10278	2.0
179.05606	3.0
181.12355	0.7
201.11310	0.7
207.10245	1.4
221.06671	9.7
225.00874	0.5
225.11339	5.2
233.68274	0.4
235.08232	0.5
243.12401	0.7
277.21774	3.7
280.71814	0.5
323.09833	1.3
379.12408	0.5
397.13657	2.1
415.14566	0.9
457.33313	0.6
509.72543	0.5
577.37408	11.9
578.37732	1.7
578.46198	0.5
599.65771	0.4
739.42676	75.5
740.43152	11.2
757.63794	0.5
883.46942	0.6
901.47943	100.0
902.48260	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	901.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24732	0.5
71.01379	26.7
71.52142	0.7
72.99312	5.2
73.02971	0.8
85.02962	0.6
87.00871	1.1
89.02441	4.0
95.01376	0.6
96.96001	1.3
101.02457	1.5
115.00370	66.3
116.00761	0.6
121.02937	3.5
121.06606	1.4
123.00867	1.3
131.04987	0.8
133.01425	74.6
134.01752	0.9
134.03786	0.6
135.04500	1.3
137.02495	0.6
137.25035	0.6
144.05818	3.4
146.03711	1.5
147.04474	1.1
149.09752	0.6
150.55466	0.5
151.07617	0.8
153.05577	1.8
159.04504	10.5
159.08147	1.5
161.02480	0.8
161.06111	0.9
174.03209	0.6
177.01897	0.9
177.09221	5.0
179.10794	0.7
181.85660	0.6
191.10771	0.8
203.03473	1.3
203.10783	1.0
209.06139	0.9
221.11787	2.2
225.05522	1.4
229.01381	0.7
235.04109	0.9
237.05502	1.8
251.03526	1.0
253.05031	4.0
263.03424	5.4
264.04169	2.2
265.04996	3.3
275.09290	1.5
277.05011	1.3
279.02887	0.9
280.03790	2.8
281.04541	10.5
282.05099	2.4
283.06137	6.0
291.02933	3.3
292.03714	2.0
293.04581	4.3
295.06140	1.2
296.06894	6.3
297.07611	1.9
298.08307	2.8
305.04630	1.3
306.05389	1.3
307.06073	2.5
308.03302	12.4
308.06873	1.7
309.03998	6.6
309.07324	1.1
311.09192	7.3
313.10818	3.2
323.05573	21.3
324.06326	17.6
325.06778	1.1
338.07846	2.7
339.08698	64.8
340.08990	4.6
355.08209	0.8
359.46469	0.6
365.06738	0.6
383.07666	5.8
397.09277	0.8
399.10934	1.0
403.19852	1.0
404.20670	0.8
501.77994	0.8
648.19177	0.6
723.27124	1.1
741.27643	14.8
742.28052	1.8
767.25250	4.1
785.26575	100.0
786.26910	15.2
901.28583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23338	1.5
70.23732	1.2
71.01379	32.0
72.99301	5.3
77.57914	0.5
79.36358	0.5
82.39724	0.5
85.02935	1.3
87.00902	1.1
89.02431	3.6
96.95991	4.4
98.20559	0.7
101.02451	1.0
109.02960	0.6
113.24315	0.5
115.00367	74.6
116.00690	1.4
121.02953	2.8
121.06578	2.3
123.00940	1.0
131.05084	0.6
133.01425	88.2
134.01755	1.3
134.03712	0.8
135.04507	1.4
136.01697	0.7
138.03220	1.4
139.45494	0.7
139.97218	0.6
144.05782	2.9
146.03699	1.2
147.04510	1.0
149.09692	1.1
153.05551	2.0
159.04500	11.8
159.08115	1.7
161.02435	1.0
161.06073	0.9
173.02318	0.7
177.09196	6.0
179.03490	1.0
179.10890	0.7
185.02365	0.6
187.04005	0.8
191.05569	0.7
191.10687	0.7
199.16043	0.7
203.03511	1.0
203.10788	1.6
209.06029	0.7
221.11865	1.6
235.03989	1.3
237.05566	2.2
251.03445	0.9
253.05019	5.2
255.06630	0.6
263.03439	5.5
264.04227	2.7
265.05096	2.3
277.04910	1.0
280.03723	3.0
281.04504	10.3
282.05103	1.7
283.06091	4.6
287.59491	0.6
291.03043	3.7
292.03622	2.0
293.04504	3.8
294.05283	0.8
295.06122	1.0
296.06836	6.4
297.07605	1.9
298.08386	3.3
305.04547	1.3
306.05145	1.6
307.05994	2.6
308.03314	11.2
308.06876	2.2
309.04065	7.7
310.08185	0.7
311.09195	6.1
312.09839	0.8
313.10809	4.1
323.05582	20.5
324.06345	13.7
325.06754	0.8
338.08020	3.0
339.08713	64.3
340.09128	3.9
355.08282	0.7
365.06543	0.9
383.07813	4.8
397.09195	0.7
399.10657	1.5
405.08624	2.3
490.09625	0.6
723.26428	1.1
741.27661	17.5
742.27985	2.4
767.25293	4.4
785.26569	100.0
786.26776	15.7
901.27490	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	901.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07620	0.3
71.01376	37.4
72.01724	0.5
84.18261	0.4
91.01888	1.1
93.03477	0.5
96.96030	0.7
97.06592	3.4
105.03476	1.4
109.02953	1.6
115.00368	16.2
117.03450	0.5
120.72640	0.4
121.02954	2.4
129.01913	0.5
133.01416	11.2
133.02942	10.1
134.03729	69.7
135.00877	4.2
135.04562	10.1
137.02419	3.4
139.04034	1.2
147.00909	0.4
149.02432	0.7
151.00385	0.7
153.01915	2.8
160.07007	0.4
165.01932	6.0
175.00392	0.6
177.01917	9.4
177.09209	0.9
178.02698	27.0
179.03442	4.9
183.12798	0.4
190.02669	0.8
191.03397	0.8
193.01360	1.4
199.04036	0.7
205.05057	0.6
221.11778	0.6
227.03450	0.8
231.10231	3.9
237.05475	0.4
243.03038	2.1
250.29918	0.5
254.02295	1.1
254.42174	0.4
255.03047	0.7
263.03458	0.6
269.04562	1.1
270.01651	0.4
271.02454	23.0
272.02835	1.4
275.09229	23.8
276.09485	1.7
281.04599	0.7
285.04025	1.2
287.05496	0.6
293.10297	14.2
294.10883	0.8
299.01932	42.9
300.02563	5.5
307.11832	57.4
308.12183	3.9
309.04044	2.2
314.04288	56.8
315.05020	27.5
315.08896	0.6
316.05469	1.8
324.06354	1.4
339.07141	5.3
368.05341	0.8
375.72162	0.4
383.07697	14.6
383.12732	0.7
384.08060	1.1
401.18277	0.5
409.11331	1.2
423.12701	2.6
424.13275	0.5
477.10321	100.0
478.03812	0.6
478.10715	9.7
544.77814	0.5
607.23755	1.0
710.87640	0.5
723.66895	0.4
804.10266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	36.5
71.51652	0.9
72.99295	5.7
85.02940	0.8
87.00854	1.2
89.02431	3.8
95.64075	0.6
96.95984	4.6
101.02419	0.9
101.22942	0.7
104.05283	0.6
107.14494	0.6
109.01369	0.7
109.02930	1.0
113.02420	0.8
114.46883	0.5
115.00365	78.3
116.00652	1.0
121.02962	2.9
121.06602	1.7
123.00900	1.1
123.04407	0.7
133.01421	85.8
133.06569	1.1
134.01773	1.3
134.03645	0.6
135.04524	2.2
138.03218	1.0
144.05818	3.0
145.02904	0.7
146.03731	1.1
149.09683	1.0
153.05600	2.2
159.04486	12.0
159.08107	1.3
161.09662	0.9
163.04059	0.7
165.91536	0.5
173.02411	1.0
174.03194	0.7
175.03853	0.7
177.09167	4.0
179.03685	0.6
179.10753	1.1
185.02498	0.7
191.05630	0.9
199.04042	0.7
203.03435	1.6
203.10815	1.8
209.06111	0.6
209.11740	0.9
221.11774	2.0
225.05461	1.5
227.07063	0.7
231.10237	0.6
232.03766	0.6
237.05743	1.2
238.12190	0.8
245.04688	0.7
252.04205	0.8
253.05110	3.7
263.03436	6.0
264.04166	2.8
265.05002	3.4
267.03003	0.6
277.05063	0.9
279.03040	1.1
280.03745	2.7
280.06827	0.8
281.01773	1.0
281.04547	10.3
282.05075	1.5
283.06024	4.8
291.02908	3.7
292.03729	2.5
293.04480	4.2
294.05106	0.9
295.06070	1.7
296.06836	6.2
297.07593	2.6
298.08401	3.5
305.04575	1.2
306.05176	1.3
307.06021	1.6
308.03214	12.5
308.06882	2.9
309.03989	6.9
309.07239	1.1
310.08316	0.8
311.09207	6.4
312.09595	0.8
313.10764	3.5
323.05579	21.8
324.06302	14.5
325.06781	1.6
338.08017	4.9
339.08694	72.4
340.08932	5.1
365.06647	1.9
383.07629	3.8
397.09195	1.0
399.10596	1.4
405.08600	3.1
723.26337	1.7
741.27606	21.6
742.27997	2.7
767.25476	4.0
785.26544	100.0
786.26898	15.5
786.40497	1.2
901.27472	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	899.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33247	0.7
69.03438	3.0
69.61678	1.7
69.62068	4.4
71.01382	14.1
71.05032	1.1
72.99290	1.8
73.02918	3.2
80.96498	2.4
81.27052	0.7
83.01372	2.2
83.04991	0.8
84.89071	0.8
85.02926	2.9
87.00854	2.9
88.98808	1.8
89.02438	7.9
95.01421	1.0
97.02917	2.1
99.00872	1.8
101.02425	10.8
113.02448	4.0
115.00272	1.1
119.03448	1.9
125.02429	2.3
125.09704	1.5
127.04109	0.7
137.04483	0.7
151.11275	1.6
153.12849	1.3
161.04466	1.6
161.09694	2.4
169.12343	1.2
179.05475	1.1
179.10774	3.6
185.11572	0.8
197.11806	56.9
198.12108	2.9
210.83545	0.8
221.06651	2.4
223.09662	1.0
241.10799	3.0
253.09319	1.2
277.21707	21.4
278.22009	1.0
291.19366	1.0
309.20660	1.0
310.20981	0.9
397.13416	2.5
415.14594	0.9
492.45715	0.8
603.33649	0.9
899.46332	100.0
900.46680	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	899.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	5.1
71.01379	14.4
71.05002	1.2
71.51104	1.5
72.99304	1.6
73.02933	1.8
80.96507	3.3
81.03436	1.1
83.01379	1.4
83.05002	1.1
85.02940	2.5
86.19941	0.9
87.00890	2.6
88.98853	1.8
89.02442	9.1
91.73351	0.9
97.02937	2.5
97.06587	1.4
99.00867	2.0
101.02441	8.3
101.22025	0.9
111.00896	1.1
113.02465	3.0
114.09595	1.0
115.00375	1.1
119.03465	1.2
121.95153	1.2
123.08120	1.1
125.02474	1.8
125.09700	1.9
143.03441	1.4
151.11273	2.8
153.12878	1.8
161.09708	2.1
169.12250	1.2
179.10774	5.7
197.11821	32.9
198.12106	1.9
209.11877	1.4
211.13367	1.4
221.06671	1.7
237.89267	1.2
241.10849	2.4
241.14536	1.1
253.09213	1.9
277.21707	31.0
278.22101	3.7
285.67621	1.0
309.20624	2.8
310.20978	1.2
397.13519	3.5
500.76929	0.9
621.01764	1.2
899.46429	100.0
900.46765	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.9
64.49950	0.5
69.03457	1.3
69.68738	3.1
71.01379	16.1
72.99281	0.6
73.02944	3.0
83.01367	2.0
85.02940	4.6
87.00871	4.6
89.02439	13.7
95.01380	1.3
96.95959	0.7
97.02929	2.8
98.20668	0.8
101.02437	12.4
101.03087	0.8
107.27423	0.6
111.04494	1.0
113.02447	7.0
116.92830	0.6
119.03507	3.5
125.02444	7.5
125.09695	1.0
127.11274	1.8
131.03465	1.0
139.03987	1.1
143.03456	2.2
161.04555	4.2
161.05722	0.6
166.48512	0.6
167.03525	0.7
171.10252	100.0
172.10602	3.1
179.05568	3.4
185.11696	0.7
199.06122	0.7
209.11749	0.7
217.07086	1.6
221.06627	1.8
235.08202	4.9
253.09227	1.1
259.08191	1.0
263.07611	0.7
277.21698	59.0
278.22028	3.7
287.07709	2.0
305.08771	3.1
323.09842	1.0
379.12408	17.8
380.12781	0.9
397.13455	41.4
398.13818	2.0
415.14542	7.2
551.23352	5.5
569.24347	5.8
570.24884	0.9
596.74377	0.7
657.35254	1.9
675.36377	2.5
735.69263	0.6
889.45532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	7.7
68.28510	0.9
69.03445	1.4
71.01384	13.5
71.35007	1.6
71.80085	1.1
72.99316	1.3
73.02919	2.7
78.95911	1.2
83.01392	2.2
83.90170	1.1
85.02953	4.8
87.00885	5.8
88.41927	0.8
89.02437	14.4
95.01385	1.5
96.96013	2.2
97.02929	3.0
101.02435	14.0
113.02431	7.8
119.03477	4.2
124.01663	1.1
125.02415	6.9
127.11268	1.8
131.03430	1.0
143.03476	1.9
153.09245	1.1
161.04498	5.1
171.10249	100.0
172.10583	4.1
179.05614	2.4
199.37538	1.0
209.11836	2.0
217.07231	1.8
235.08163	7.4
259.08252	1.4
263.89609	1.1
269.40417	1.1
277.21692	66.4
278.22064	3.6
287.07562	2.3
305.08600	2.0
379.07971	1.6
379.12405	15.9
380.12650	1.1
397.13486	44.2
398.13898	2.9
415.14645	8.0
551.23273	4.2
569.24335	4.0
657.34326	2.1
675.35858	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	893.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18344	0.4
69.75528	0.7
69.75932	1.8
71.01375	4.4
72.99316	0.9
73.02953	2.9
75.00835	0.5
76.56219	0.4
78.91875	0.4
78.96957	0.5
85.02943	0.7
88.98739	0.4
89.02448	0.5
94.04263	0.4
101.02439	0.6
113.02412	0.4
115.00387	2.9
133.01454	1.8
133.02972	0.9
134.03746	2.2
135.04529	1.1
135.08144	1.6
137.02429	0.7
137.09723	7.9
143.10818	0.4
149.02475	0.4
151.00359	1.6
155.10770	100.0
156.11105	3.3
162.03165	0.8
166.02676	4.9
167.03435	0.6
177.01936	0.9
178.02737	0.8
179.03470	0.8
181.05063	6.1
181.08643	0.6
199.09737	40.3
200.10092	1.6
209.11761	0.5
223.07022	0.4
231.10243	1.6
241.10793	0.7
275.09232	7.3
276.09399	0.4
290.62180	0.4
387.10553	1.1
403.13791	1.5
417.15521	1.6
475.18271	1.2
679.22284	1.0
711.24481	0.5
730.57666	0.5
893.34381	38.5
894.34833	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	887.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.5
65.00313	0.4
71.01376	26.0
71.51198	0.4
72.01688	0.5
72.99298	0.7
85.02900	0.4
87.00905	0.5
89.02444	0.8
93.03431	0.9
97.06592	2.0
101.02443	0.4
105.03454	0.8
106.04284	0.4
109.02938	1.7
111.00878	0.6
113.02468	0.4
115.00366	21.2
116.60025	0.4
118.11061	0.3
121.02966	2.7
133.01422	31.3
133.02911	6.7
134.03729	37.6
135.04539	13.0
136.04745	0.4
137.02451	4.7
139.03989	1.6
150.03203	0.6
164.71283	0.5
165.01926	6.9
166.02249	0.4
177.01906	7.4
178.02701	28.7
179.03468	11.0
180.03758	0.5
191.05614	0.6
193.01395	0.7
199.04094	0.6
201.11340	1.3
202.11641	0.8
209.11772	4.6
210.12178	1.9
213.09303	0.5
226.02370	0.4
227.03473	0.8
227.12848	0.9
231.10223	2.2
242.02090	0.4
243.03036	1.9
254.02263	0.8
255.02950	1.1
269.04691	1.2
271.02454	23.5
272.02783	1.6
275.09238	14.6
276.09601	0.8
285.03976	0.9
287.05551	0.5
293.10294	39.4
294.10635	2.6
299.01944	39.9
300.02509	5.1
314.04288	55.8
315.05005	25.3
316.05469	1.7
378.20172	0.5
383.07602	1.3
384.08218	0.5
397.13391	0.7
398.14246	0.4
401.36487	0.4
409.11389	4.9
477.10321	100.0
478.10672	11.1
561.04163	0.4
887.46716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.2
69.06966	0.1
71.01379	5.2
71.34035	0.3
73.02950	0.2
77.03958	0.5
81.03460	0.2
83.05017	0.4
85.02927	0.5
87.00864	0.2
89.02442	0.8
89.03961	1.1
91.01900	0.2
93.03452	0.3
95.05019	1.4
96.96019	0.3
97.06574	0.2
99.00881	0.2
101.02433	0.7
105.03450	3.5
108.02164	0.2
109.06582	0.3
113.02421	0.4
115.00370	4.0
117.03461	1.3
121.02949	0.4
121.06600	0.1
123.04537	0.8
123.08211	0.3
127.11264	0.2
130.89627	0.2
133.01358	0.5
133.02951	11.6
134.03799	1.4
135.04527	1.3
135.08118	0.2
137.02425	0.6
139.04001	0.3
143.41570	0.1
145.02878	0.2
147.00911	0.3
147.08154	0.6
149.02420	0.7
149.06186	0.2
149.09698	0.4
150.03174	0.2
151.03983	2.7
151.11234	0.3
157.02925	0.2
161.02396	0.3
161.04506	0.7
161.09718	0.3
161.99561	1.3
162.03233	0.4
163.00354	0.5
163.04004	0.2
163.07721	0.1
163.11253	0.6
164.04744	0.7
165.01956	0.2
165.12782	0.1
171.08109	0.2
175.00362	1.7
177.01923	4.4
177.05475	0.2
177.12848	0.3
178.02707	3.0
179.03490	1.2
179.05664	0.2
179.10754	5.0
180.11124	0.2
181.06570	0.6
187.11284	0.8
189.01834	0.2
189.09221	0.2
190.02702	3.8
191.03229	0.3
191.05508	0.2
193.06569	0.5
197.06090	0.3
201.11322	2.7
203.10757	0.3
205.01410	0.6
205.05019	2.8
205.12318	4.3
206.12659	0.3
209.06075	2.3
209.11813	6.9
210.12093	0.3
219.04564	0.2
220.05309	0.2
221.06108	0.5
222.06956	0.2
223.05902	0.7
223.13365	0.5
225.05565	0.8
227.03474	0.2
227.12814	1.1
229.01381	0.2
231.10243	0.2
235.03912	0.3
236.04713	0.1
237.05563	6.1
238.05864	0.4
239.03482	0.2
239.06985	0.2
249.05539	0.4
251.07184	0.4
253.05042	2.8
254.05324	0.3
263.03540	1.0
264.04227	0.2
265.05008	4.0
266.05478	0.3
267.06671	0.7
268.07391	1.1
269.04599	1.2
275.09244	0.6
276.09726	0.1
279.06522	0.4
280.03769	0.3
280.07394	0.4
281.04547	6.4
282.04721	0.4
283.09723	2.2
284.10059	0.3
291.02997	0.2
295.06110	0.5
295.09363	0.3
296.06873	2.4
297.04044	3.1
297.07117	0.2
308.03043	0.3
309.04050	5.1
309.07596	0.4
310.04279	0.4
311.09225	13.5
312.06265	0.5
312.09625	0.9
323.05508	0.4
324.06378	2.4
325.03510	4.0
325.06369	0.2
326.03787	0.4
327.05133	0.3
327.08725	0.6
328.05688	0.3
339.08704	0.4
340.05777	0.8
341.15933	0.4
343.03439	0.1
353.02979	4.9
354.03348	0.5
355.04205	0.2
355.08221	3.3
357.09421	0.2
367.10214	0.4
368.05310	8.0
369.05588	0.6
383.07678	100.0
384.07990	8.0
397.13434	1.8
415.14240	0.4
591.24622	1.6
592.24670	0.2
599.25214	0.3
607.25891	0.5
769.27264	0.5
790.04541	0.2
799.38513	0.2
803.48187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	0.2
65.00336	0.3
69.61857	1.3
71.01377	8.0
74.04813	0.2
77.03958	1.9
85.02938	0.3
89.03978	1.4
91.01858	0.4
93.03458	0.9
94.12129	0.2
95.05023	5.0
96.96001	0.6
97.06581	0.3
98.19984	0.3
101.02437	0.5
105.03455	14.6
106.03795	0.5
107.05030	0.3
109.06564	0.4
110.94511	0.2
113.02425	0.3
115.00363	6.9
117.03441	0.5
119.01405	0.5
121.02969	1.0
123.04523	1.9
123.08155	0.3
132.02190	0.8
133.02950	67.2
134.03680	2.0
135.04510	2.5
137.02458	0.6
143.03363	0.3
145.03017	0.3
147.00833	0.9
147.04512	0.4
147.08163	0.8
148.01747	0.3
149.02432	3.2
149.09685	0.6
150.03226	0.5
151.03998	0.5
151.11211	0.6
161.02417	1.2
161.04601	0.4
161.09682	0.5
161.99619	1.5
163.00305	0.3
163.03993	0.5
163.07648	0.3
163.11278	0.4
164.04813	2.8
165.01965	0.4
175.00359	4.5
176.01143	1.3
177.01918	34.1
177.12889	0.4
178.02521	1.9
179.03459	0.9
179.07089	0.4
179.10759	4.8
180.11119	0.3
187.11261	1.1
189.01907	3.5
190.02696	13.1
190.99837	0.5
191.03468	2.7
192.04147	0.3
203.10594	0.2
205.01436	1.0
205.05029	13.1
205.12300	4.6
206.05370	0.5
209.06201	1.2
223.06078	3.7
223.13351	0.5
225.05562	0.8
231.10214	0.3
237.05551	2.3
238.06033	0.3
253.05052	2.6
263.03497	2.3
265.04987	2.3
265.07043	0.2
275.09241	0.9
279.06552	0.3
280.07458	0.4
281.04587	2.6
291.03085	0.4
292.03677	0.3
295.06113	0.6
296.07068	0.3
308.03336	0.6
309.04028	11.0
310.04379	0.7
311.09323	0.5
323.05518	2.3
324.06345	7.8
325.06708	0.7
339.08652	1.0
353.02863	1.5
355.08221	0.3
367.10349	1.8
368.05374	5.8
368.10080	0.3
369.05615	0.3
383.07684	100.0
384.08017	8.1
391.10205	0.3
430.87201	0.2
547.21588	1.6
573.23303	0.8
591.24432	18.8
592.24792	2.9
640.26416	0.3
666.47296	0.2
769.27643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95470	0.2
69.39196	1.3
71.01377	6.3
71.14449	0.2
72.61463	0.2
72.99299	0.2
73.02939	0.2
89.48376	0.2
90.00365	0.2
96.96014	1.0
98.20609	0.3
101.02461	0.4
109.06569	0.2
113.02383	0.2
115.00364	7.1
121.02960	0.3
122.35146	0.2
123.00863	0.5
123.04466	0.2
130.50926	0.2
133.01419	1.8
133.02922	0.3
135.04486	0.5
138.03233	0.9
146.53896	0.2
147.08167	0.4
149.02420	0.4
151.11308	0.2
153.05527	0.6
159.04478	0.6
161.09741	0.2
174.03156	0.2
179.03453	0.7
179.10786	2.3
181.06561	0.3
183.65738	0.2
185.02423	2.1
186.03151	0.3
187.11244	0.4
190.50150	0.2
197.06195	0.3
205.12308	2.0
209.06102	1.6
211.07713	0.2
219.04474	0.6
221.06078	0.2
223.07584	0.4
225.05580	0.5
229.01372	0.8
235.03864	0.3
237.05537	1.3
239.03438	0.2
239.07054	0.5
247.03954	0.6
249.05516	0.4
250.06255	0.2
251.03300	0.2
251.07036	0.7
252.04298	0.4
252.07681	0.2
253.05045	5.0
263.03552	0.7
264.04248	0.4
265.05106	1.0
266.02231	0.2
266.05560	0.2
267.03049	0.4
267.06589	1.3
268.03967	0.9
268.07343	0.8
269.04575	0.3
278.05923	0.2
279.06540	0.4
280.03799	0.4
281.04556	5.7
282.04950	0.4
283.06018	0.2
284.06842	0.3
287.05621	0.4
291.02921	0.8
292.03860	0.9
293.04498	0.4
295.06082	3.5
296.06870	4.5
297.04062	2.1
297.07321	0.3
306.05307	0.5
307.02509	0.3
307.05954	0.2
308.03296	0.9
309.04037	5.4
310.04416	0.3
311.09305	0.7
312.06415	0.7
323.05594	6.4
324.02377	0.3
324.06311	5.7
325.03476	2.9
325.06866	0.4
326.03763	0.2
339.08640	3.6
340.05692	1.1
340.09247	0.2
353.02933	1.2
355.08118	0.9
368.05334	11.3
369.05731	0.8
383.07684	100.0
384.08035	8.4
437.08963	0.2
573.24237	0.2
660.40051	0.2
756.42963	0.2
769.27087	10.9
770.27356	2.1
885.28027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44904	0.9
69.45317	2.3
71.01379	39.9
71.40507	0.5
72.01689	0.8
72.99313	6.1
84.37700	0.4
85.02915	0.5
87.00880	1.5
89.02440	3.3
96.96023	1.8
98.20634	1.0
106.00633	0.5
109.06583	0.9
115.00368	87.6
116.00675	1.4
121.02945	2.5
123.00857	1.2
123.04464	0.7
131.04999	0.8
133.01425	100.0
134.01775	1.6
134.03777	0.7
135.04530	1.5
138.03191	0.5
146.03728	1.0
147.04538	0.7
151.11267	0.6
153.05554	1.3
158.03777	0.6
159.04504	13.0
160.04796	0.7
161.02399	0.6
161.09679	0.9
163.04054	0.9
163.11267	0.5
173.02415	0.8
179.03481	1.4
179.10783	4.6
187.04012	0.8
187.11276	1.5
203.03493	0.5
205.12296	3.5
209.06061	0.8
225.05524	1.3
235.03986	1.0
236.04866	0.7
237.05557	1.1
247.76407	0.4
249.05615	0.6
251.03804	0.9
252.04344	1.0
253.05119	4.9
263.03421	7.0
264.04199	2.9
265.04926	2.7
267.06796	0.6
267.43652	0.5
272.33643	0.5
277.04782	0.8
279.02985	1.5
280.03702	3.6
281.04541	10.3
282.05148	2.2
283.06076	3.9
291.02982	4.2
292.03680	2.0
293.04498	3.8
294.05136	0.7
295.06104	1.3
296.06909	5.7
297.07681	2.6
298.08441	1.9
305.04575	1.3
306.05316	1.2
307.02679	0.9
307.06073	2.9
308.03317	15.2
308.06818	2.4
309.04007	8.6
309.07361	0.7
311.09195	6.1
312.09723	1.2
313.10870	2.6
323.05585	27.1
324.06335	16.8
325.06769	1.2
338.07919	4.6
339.08710	86.9
340.08984	5.9
351.19678	0.5
365.06680	1.2
383.07803	1.6
397.09058	0.9
399.10794	1.6
441.12338	0.6
451.07233	0.6
534.83929	0.5
681.25671	1.7
682.25104	0.5
707.27106	5.3
708.27582	0.7
725.28021	9.2
726.28296	1.6
751.26202	8.3
752.26257	1.1
769.27045	84.6
770.27386	16.9
885.28851	1.5
886.28552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.282
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86213	0.4
63.08170	0.4
63.60371	0.4
69.63782	2.6
71.01379	34.9
71.25058	0.4
72.99306	6.8
79.95766	0.4
80.70152	0.4
85.02953	0.8
87.00878	0.7
89.00314	0.5
89.02436	3.2
96.96017	3.1
101.02441	0.5
106.00671	0.5
109.06544	1.1
115.00368	81.0
116.00727	1.4
121.02940	2.4
121.06605	0.5
123.00867	1.0
123.04509	0.9
123.08121	0.5
131.05045	0.9
133.01425	100.0
134.01772	1.6
135.04512	2.0
138.03230	1.1
146.03679	1.2
147.04483	0.8
147.08150	1.8
149.09697	0.9
150.48622	0.4
151.11365	0.5
153.05600	2.5
159.04504	15.2
160.04811	0.5
161.02370	1.0
161.09686	0.8
163.04028	1.0
163.11270	0.5
172.70619	0.5
173.02402	1.2
177.01990	0.5
179.03477	1.4
179.10753	4.6
180.11163	0.5
181.14244	0.4
187.04008	0.8
187.11201	1.9
189.09270	0.8
203.03505	1.3
203.10770	0.8
205.12262	3.1
209.06200	0.6
209.11913	0.6
223.13533	0.6
224.04759	1.1
225.05591	2.0
228.03052	0.5
235.03886	1.2
236.04752	0.6
237.05438	2.0
245.04558	0.6
251.03435	1.2
252.04214	1.0
253.05002	6.2
254.05534	0.7
255.06877	0.6
263.03436	7.1
264.04208	2.9
265.05017	3.9
266.05600	0.9
267.06564	0.6
277.05231	0.7
278.05768	0.7
279.03003	0.6
279.06558	0.8
280.03757	4.8
281.01389	0.7
281.04520	14.2
282.05273	2.7
283.06076	4.3
291.03021	4.3
292.03622	2.1
293.04428	4.3
294.05035	0.7
295.06073	1.5
296.06885	6.1
297.07513	2.4
298.08450	2.3
305.04462	0.8
306.05215	1.7
307.06073	3.7
308.03265	19.2
308.06732	1.9
309.03973	10.2
309.07416	0.3
310.04373	0.7
311.09167	7.1
312.09875	0.6
313.10727	3.4
323.05579	30.7
324.06314	19.6
325.06830	1.0
338.07913	4.7
339.08698	97.5
340.09048	7.8
357.09833	0.7
365.06607	1.3
383.07712	1.3
398.10129	0.6
399.10748	1.6
429.12109	0.6
437.08994	1.5
441.12323	0.6
501.14273	1.1
611.99042	0.4
618.83820	0.5
633.37091	0.5
681.25452	1.9
707.27167	5.7
708.27032	1.4
725.27979	11.1
726.28314	2.1
751.26129	9.5
752.26477	1.8
769.27057	97.1
770.27356	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	885.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.6
71.01377	11.8
72.01695	0.4
72.83878	0.3
72.99305	1.2
80.00574	0.3
83.65334	0.3
87.00871	1.3
89.02451	1.2
96.96002	1.8
100.88318	0.3
101.02472	0.5
115.00366	21.5
116.00655	0.3
121.02965	0.7
123.00903	0.6
123.04491	0.6
133.01424	24.0
134.01784	0.4
135.04532	1.6
147.08186	0.4
149.09738	0.4
157.02930	19.1
159.04509	2.9
161.02452	0.3
179.03461	0.6
179.10756	1.7
185.02449	0.9
199.20236	0.3
203.03491	1.4
203.10744	0.4
205.12263	1.5
209.06105	1.4
209.11864	0.5
225.05533	0.9
227.06816	0.4
229.01389	82.2
230.01759	3.9
235.03987	1.9
237.05545	3.9
239.03581	0.4
253.05063	2.4
255.02994	0.6
261.05438	0.4
263.03458	5.9
264.04202	2.0
265.05035	2.9
270.05405	0.4
275.09198	0.5
279.06613	1.0
280.03781	1.3
281.04544	15.0
282.05264	2.7
283.05933	0.7
291.02893	0.8
292.03769	1.2
293.04575	2.4
295.06128	1.1
296.06842	7.9
297.07608	3.1
298.08249	0.6
303.87375	0.3
307.02356	0.4
307.05801	0.4
308.03259	1.5
309.04004	7.0
311.09198	5.3
312.09531	0.5
313.10779	1.0
323.05600	2.0
324.06342	5.5
325.06790	0.4
329.10410	0.7
339.08685	18.4
340.09082	0.9
352.02176	0.4
355.08206	1.0
357.09811	1.0
367.04459	2.3
368.05267	1.2
383.07681	100.0
384.08017	8.0
405.08536	0.8
459.13007	0.4
493.23206	0.4
563.13525	0.4
681.24884	0.6
707.27002	1.2
725.27588	1.9
726.28113	0.7
751.25983	4.1
752.26544	0.6
769.27032	53.8
770.27344	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	885.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.4
71.01381	10.7
71.52153	0.6
77.03982	1.8
80.96517	0.6
85.02961	0.5
87.00888	0.6
89.03977	1.6
93.03471	0.9
94.98190	0.4
95.05023	4.7
101.02420	0.6
105.03461	13.7
109.02905	0.7
109.06633	0.5
113.02449	0.6
115.00375	8.6
117.03506	0.4
119.01433	1.0
121.02965	1.2
123.04497	1.9
123.08135	0.4
132.02168	0.8
133.01367	2.5
133.02954	65.4
134.03688	3.2
135.04539	2.6
137.02443	0.6
147.00896	0.7
147.08185	0.9
149.02405	3.4
149.09682	0.5
151.04021	0.5
151.11353	0.7
161.02457	1.0
161.04486	0.5
161.99622	1.2
163.03986	0.5
163.11349	0.7
164.04727	2.5
165.05418	0.6
171.07901	0.4
175.00331	3.4
176.01109	1.4
177.01926	32.7
178.02649	3.4
179.03465	1.2
179.07034	0.4
179.10764	4.3
187.11285	1.0
189.01947	2.5
190.02690	12.4
191.03418	1.7
191.05391	0.6
205.01360	0.8
205.05045	12.3
205.12323	4.6
206.05391	0.9
207.10327	0.5
209.06050	1.2
209.11810	1.4
223.06076	4.2
225.05402	0.9
232.37700	0.4
237.05479	3.3
253.05061	2.7
263.03397	2.0
265.04999	2.3
275.09250	3.5
281.04544	2.1
295.06247	0.5
296.06705	0.6
308.03302	0.6
309.04004	10.6
310.04568	0.9
311.09271	0.6
322.93451	0.5
323.05731	2.0
324.06332	7.1
339.08707	1.4
353.03040	1.3
355.07999	0.5
367.10202	1.9
368.05313	4.2
383.07684	100.0
384.07980	9.2
509.65060	0.5
547.21783	0.8
573.23444	1.1
591.24426	20.1
592.24384	2.0
751.31366	0.6
852.42407	0.4
853.39819	0.7
885.42316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.1
63.96218	1.9
69.03464	1.3
71.01376	9.1
73.02945	2.5
76.35615	0.7
78.95905	0.9
78.98584	6.5
79.95730	18.1
80.96511	92.9
81.03468	1.3
85.02956	3.7
87.00878	3.2
89.01929	0.7
94.98077	20.9
96.96006	2.1
97.02943	2.0
98.19947	1.7
99.00867	0.8
101.02465	3.3
106.98091	4.2
117.09859	0.6
122.97567	4.3
125.02450	3.9
127.04002	0.7
134.97560	5.8
136.99139	2.1
137.45506	0.6
148.99138	8.1
152.98615	8.9
164.97328	1.2
164.98611	15.3
167.00334	0.9
171.10242	1.1
191.55244	0.7
206.99614	4.0
214.18404	0.6
225.00723	27.0
226.01004	0.9
227.00539	0.8
255.23265	1.6
283.05042	1.3
302.49158	0.7
537.27350	1.8
560.20612	0.8
623.27209	0.9
646.71204	0.7
709.38147	1.5
765.41272	1.1
861.46368	1.0
879.50830	100.0
880.51318	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	2.8
65.90680	0.9
69.03439	1.4
71.01377	18.5
71.05003	1.5
72.99303	2.5
73.02932	3.4
79.64207	1.1
80.96465	1.2
83.01369	2.4
85.02946	3.0
87.00863	3.5
88.36169	1.0
89.01938	1.2
89.02441	11.4
95.04996	1.4
97.02931	5.8
97.06524	2.4
98.19961	3.4
99.00876	11.8
101.02438	12.8
109.06585	2.3
112.92502	1.0
113.02431	5.8
119.03485	3.3
125.02422	3.1
125.09701	5.7
125.44838	1.0
141.05740	1.0
142.02704	2.1
161.04539	1.7
161.09665	1.3
163.11301	8.1
171.10263	8.5
181.12340	13.3
197.11786	3.1
199.13399	8.7
201.11282	2.1
204.76108	1.0
207.10237	24.3
208.10626	1.6
209.11543	1.0
211.74791	1.0
221.06662	2.3
225.11302	37.3
226.11470	1.9
235.08066	2.3
243.12314	8.0
255.23270	57.8
256.23578	3.0
291.19696	5.9
309.20679	2.9
397.13565	9.4
605.24548	3.0
623.25873	2.2
653.37561	1.5
835.48419	1.3
861.48407	12.9
862.48541	3.0
879.49536	100.0
880.49738	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	869.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.5
64.98600	0.3
67.26022	0.3
71.01376	29.4
72.01691	0.5
72.99305	0.5
77.03975	0.4
85.02938	0.4
86.65485	0.3
92.37938	0.3
93.03432	0.4
95.05023	0.8
96.96011	0.8
97.06583	0.9
101.02443	0.3
105.03452	3.1
109.02952	0.5
115.00357	14.3
117.03461	1.9
119.05029	0.4
121.02943	1.7
123.04480	0.9
127.35072	0.4
133.01442	5.7
133.02946	9.6
134.03729	24.2
135.04539	7.2
135.72282	0.4
137.02429	1.0
145.02982	0.7
149.02420	1.1
159.04601	0.4
161.02464	2.5
162.03210	11.9
163.03589	0.6
165.01897	4.4
177.01921	3.1
178.02715	3.1
179.03467	1.4
179.41695	0.4
187.07697	0.8
193.01289	0.9
203.10686	0.7
209.11774	0.7
210.12270	0.4
226.02641	0.4
231.10234	23.9
232.10577	1.5
241.67998	0.3
243.02922	1.6
252.16141	0.4
254.02127	0.5
255.02980	1.0
269.04523	0.8
271.02454	15.1
272.02747	1.6
275.09225	100.0
276.09567	6.6
285.03992	0.6
287.05405	0.5
299.01935	28.1
300.02478	3.7
314.04279	35.4
315.05020	17.1
316.05432	1.5
391.10287	6.3
392.10696	0.8
448.48935	0.4
473.13324	0.6
477.10330	64.0
478.10776	7.2
633.40503	0.5
633.92291	0.6
728.63074	0.4
767.95435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98522	0.1
62.99272	0.1
71.01374	0.2
85.02953	0.2
89.02480	0.1
98.87283	0.1
101.02464	0.1
106.05401	0.1
113.02467	0.1
115.00407	0.1
116.92841	0.1
133.01483	0.1
133.02988	0.2
141.40280	0.1
146.04605	0.1
148.19122	0.1
168.77869	0.1
177.01949	0.2
178.02722	0.1
189.32608	0.1
211.13292	0.1
229.08568	0.1
229.10646	0.1
423.68738	0.1
533.52606	0.1
739.39941	0.1
872.47626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.7
70.20876	0.3
71.01376	27.9
71.51421	0.5
72.83400	0.3
73.02932	0.8
77.57905	0.3
87.00876	0.4
89.02449	0.5
89.03970	3.2
93.03448	0.4
96.95998	0.7
97.06574	1.1
101.02428	0.9
105.03427	0.8
115.00362	12.0
117.03458	14.6
119.03549	0.4
121.02911	0.4
133.01440	5.1
133.02934	5.4
134.03734	24.1
135.04533	12.4
136.04816	0.6
137.02441	4.1
139.03986	1.2
145.02936	1.4
149.02437	1.1
150.03195	0.8
161.02428	4.5
161.06067	0.4
162.03210	18.2
163.03609	0.6
177.01930	4.7
178.02695	11.0
179.03398	1.4
187.07591	0.4
191.05548	0.6
231.10226	4.3
232.10625	0.4
257.96240	0.4
275.09232	100.0
276.09595	6.9
294.03772	0.7
391.10242	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	877.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60246	0.4
61.98815	1.3
64.71322	0.4
68.28397	0.4
71.01376	27.1
75.67177	0.4
80.97727	0.4
89.02441	0.5
96.96010	0.7
97.06572	1.0
101.02411	0.6
106.04261	0.6
115.00359	13.3
133.01443	2.6
133.02956	1.1
134.03726	30.3
135.04482	1.6
137.02417	0.8
137.66959	0.4
139.03952	0.4
145.02907	2.5
149.02414	0.7
161.02417	6.4
162.03210	32.2
163.03546	1.0
163.20917	0.4
171.10300	0.5
177.01868	0.8
178.02693	1.4
179.03520	0.8
209.11891	0.8
231.10191	1.4
251.25095	0.4
260.83337	0.4
275.09219	100.0
276.09540	6.2
391.10208	3.9
392.10803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.0
68.99815	0.8
69.03455	5.6
71.01373	12.1
71.05023	1.7
71.51335	1.0
72.99306	1.1
73.02946	1.7
78.95895	0.8
80.92811	1.0
80.96514	0.9
83.01366	1.5
85.02946	2.2
87.00854	2.0
89.02444	8.5
95.01360	1.5
97.02946	1.7
99.00874	1.2
101.02443	9.0
109.06565	1.1
113.02419	3.1
119.03517	1.6
123.08168	0.8
125.02428	2.3
125.09676	2.4
126.77524	0.9
151.11247	2.0
161.09694	3.0
179.10727	4.5
197.11810	34.9
198.12013	1.1
209.11728	1.3
223.09633	0.9
235.08266	1.3
241.10762	2.2
255.23253	40.5
256.23627	2.4
269.24847	1.0
296.73468	0.8
393.51895	0.8
397.13177	1.9
423.01163	0.8
798.35992	0.9
877.47925	100.0
878.48322	19.8
907.86169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65521	0.1
61.98827	100.0
71.01369	0.2
71.51861	0.2
73.50265	0.1
78.72431	0.1
79.95739	0.2
80.96517	0.9
94.98103	0.2
96.49312	0.1
114.98360	0.1
141.36111	0.2
171.10295	0.2
191.14279	0.1
222.10568	0.1
225.00729	0.3
277.21817	0.3
293.21112	0.2
294.21667	0.3
307.85690	0.2
347.99930	0.2
463.03879	0.2
567.39465	0.2
783.42261	0.6
868.45135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	3.6
69.19823	4.5
69.20247	2.7
71.01373	8.6
71.02489	3.3
72.00898	2.6
73.04071	13.1
74.02469	9.1
82.01736	1.8
82.02960	2.3
83.02494	2.0
84.00912	3.7
85.04056	1.6
86.06071	0.7
87.05633	7.7
89.02438	1.7
97.00420	1.3
98.19934	1.5
99.01992	11.9
99.05631	2.4
101.02415	2.4
110.01219	0.9
111.02020	1.0
113.02406	1.1
113.03558	2.7
113.07143	1.2
115.00362	6.3
115.08767	11.2
116.05054	21.8
118.06594	2.3
125.07194	7.1
126.05647	1.6
127.05089	3.0
127.08698	2.3
128.03532	1.3
129.10327	1.1
131.04623	6.0
133.01437	8.7
133.02942	2.1
134.01730	1.0
134.03703	1.9
135.04477	3.4
137.02470	1.0
137.03441	1.0
137.07248	3.6
138.05592	1.1
141.06670	7.6
142.06612	4.9
142.07610	0.7
143.08392	0.8
145.01369	2.6
146.06068	1.0
153.06700	7.5
154.09842	2.8
155.08260	7.9
157.07631	1.3
157.09760	1.0
159.09250	5.7
169.04984	1.0
169.13426	1.6
170.09329	17.5
172.10909	15.1
173.07130	2.3
175.08701	0.8
178.02675	2.2
179.03436	2.3
179.04761	1.0
181.09822	1.0
182.09341	0.9
186.12474	6.0
187.05078	5.4
189.06667	1.5
193.13376	1.4
197.12888	3.0
198.08769	3.1
198.12447	1.8
201.06677	3.0
203.08247	15.7
206.09280	1.3
209.11815	3.1
212.10422	1.5
214.09956	1.0
214.15547	2.5
216.11432	5.3
218.09332	1.2
224.10381	1.6
227.12840	0.9
228.17073	1.1
230.11316	2.6
242.09346	0.9
252.13518	1.0
253.16608	1.7
256.14612	1.7
260.10461	5.9
269.16190	1.6
271.17722	2.9
275.09259	4.4
276.09607	1.6
285.19443	3.6
293.10156	1.0
294.14767	0.9
295.17966	0.9
297.19324	1.2
299.15134	1.9
302.15326	0.9
309.15567	1.2
310.16043	1.1
314.04251	1.0
315.18259	9.6
317.16055	2.2
325.16562	1.0
329.18176	1.1
341.15952	3.1
346.10715	0.8
359.17148	2.5
371.17163	3.4
384.18945	1.4
392.54733	0.9
407.45740	0.9
414.25009	6.8
425.34628	0.8
458.24039	2.8
484.21997	2.6
496.21976	3.5
513.24524	16.9
514.25159	2.0
515.26282	1.9
525.24500	0.9
541.23792	1.1
660.31366	24.4
660.42676	1.3
661.21509	0.9
661.31250	4.3
830.64478	0.8
868.39899	100.0
869.40186	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	867.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65063	0.9
61.98840	2.4
63.96233	2.1
69.99699	1.0
71.01376	8.8
73.02950	3.1
75.53059	1.0
78.98589	7.3
79.95729	20.3
80.96511	96.0
81.95338	1.0
82.96105	5.6
85.02947	2.8
87.00869	2.9
94.98077	22.0
96.95992	1.2
97.02962	1.5
98.19832	1.5
101.02441	3.6
106.98080	4.0
116.92822	1.1
122.97573	3.2
125.02441	4.1
134.97562	6.9
136.99202	1.9
140.25403	1.0
148.99112	6.5
152.98615	5.9
164.98613	13.8
206.99731	2.7
225.00731	26.0
226.00975	1.5
227.00339	1.0
236.20763	1.1
497.86032	1.2
611.27216	1.5
760.81067	1.2
866.50970	1.3
867.51086	100.0
868.51819	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	865.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	5.8
63.96233	1.4
69.03449	1.8
70.23943	3.8
71.01366	11.3
73.02935	2.6
78.95900	1.6
78.98598	7.1
79.95728	18.9
80.96509	87.2
81.03403	1.9
85.02930	3.1
87.00851	2.2
94.98072	21.1
96.96011	1.4
97.02932	2.7
101.02425	4.4
106.98073	3.7
122.97570	2.7
125.02428	2.7
127.03972	1.3
127.37012	1.0
134.97556	5.4
136.99118	1.6
148.99170	7.1
152.98599	6.6
164.98622	11.9
188.20955	1.1
195.13850	1.0
197.11809	1.1
199.23523	1.2
206.99622	2.7
209.11771	1.2
211.13461	1.1
225.00714	21.1
235.08217	2.7
253.09235	3.7
255.23112	2.0
266.47336	1.2
277.21713	25.5
278.21945	1.8
283.04718	1.1
291.19647	5.7
309.20670	16.0
310.21024	1.1
326.70105	1.1
408.41730	1.1
537.27063	1.8
544.73315	1.2
640.31000	1.2
865.49744	100.0
866.50031	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	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.6
67.09874	0.4
67.30019	0.4
69.03462	0.7
71.01376	15.4
72.99299	1.8
73.02946	3.1
80.02656	1.1
80.96505	0.6
81.03453	1.7
83.01360	1.7
83.05013	5.2
84.02146	0.6
84.03654	0.3
85.02940	3.9
86.00078	0.5
86.93634	0.3
87.00866	3.9
89.02438	13.4
95.01377	1.2
95.05009	0.9
97.02959	2.0
97.06580	0.4
99.00883	1.3
101.02434	12.5
111.04519	0.9
113.02443	6.1
119.03496	4.0
123.00850	0.5
125.02434	6.7
125.06086	0.5
127.05976	0.4
131.03513	0.6
133.05080	0.7
139.04039	0.5
141.01755	0.5
143.03496	2.2
145.05087	0.5
149.04567	0.5
161.04575	3.4
163.11272	3.4
165.12804	1.8
167.03522	0.7
179.05598	3.4
181.12285	0.5
191.10704	0.5
199.05983	0.5
209.11807	100.0
210.12163	5.4
217.07141	0.7
221.06619	1.0
227.12875	13.2
228.13246	0.8
235.08197	4.9
245.06479	0.5
245.64307	0.4
253.09213	0.8
255.23274	56.0
256.23624	4.5
259.08325	0.7
269.24872	0.7
287.07617	1.9
305.08682	1.6
323.09756	1.2
360.10602	0.4
379.07513	0.6
379.12384	8.8
380.12796	0.9
394.44528	0.4
397.13461	42.7
398.13803	3.6
415.14557	8.2
416.14728	0.6
589.25360	1.1
607.26447	0.9
635.36902	0.9
653.37317	2.0
704.68787	0.5
710.99634	0.4
761.16913	0.4
863.49786	0.8
892.91956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87598	0.2
71.01383	1.8
73.02932	0.6
85.02953	0.3
89.02432	0.5
93.03452	0.6
99.00861	1.7
101.02443	0.7
113.02467	0.5
114.78408	0.2
115.00357	0.4
117.03439	0.3
119.05022	91.4
120.05350	2.7
133.01416	0.8
133.06567	0.3
133.72437	0.2
135.04478	0.5
145.02975	0.6
161.05997	0.8
163.03999	60.8
164.04343	2.4
179.03482	0.3
191.05608	0.5
205.05099	1.1
209.08063	0.3
325.09216	0.5
361.28741	0.2
384.07767	0.2
457.13486	100.0
458.13818	9.4
544.23883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84525	0.4
71.01376	15.7
72.99289	0.8
78.86495	0.3
82.52499	0.3
83.05027	0.8
83.11031	0.3
83.62197	0.3
89.02433	0.5
93.03429	0.4
96.96011	3.5
97.06556	0.8
109.02925	0.5
115.00360	14.5
119.05022	0.4
121.02947	0.8
133.01421	22.2
133.02945	0.6
134.03728	15.0
135.04570	2.5
136.01653	9.0
136.56120	0.3
137.02483	2.1
145.02913	0.6
146.03714	1.2
147.04454	0.7
148.05290	1.1
149.06119	0.4
158.03720	5.6
159.04497	7.1
161.06010	0.6
162.03218	0.6
163.03943	0.4
172.05229	1.0
173.06044	4.2
174.06859	3.7
175.07639	2.6
177.04112	0.5
177.05560	1.1
179.03471	0.4
184.05267	0.4
185.09586	0.7
187.04103	2.6
187.07625	23.8
188.06482	0.4
188.08044	1.5
189.09219	0.4
191.10721	0.5
198.06807	0.5
201.05530	1.4
201.09207	0.7
202.06326	5.2
203.03474	0.8
203.06676	0.4
203.10751	10.2
204.11121	0.6
205.08641	0.6
205.87347	0.4
213.09184	3.9
215.07103	0.9
216.07845	0.9
221.04520	0.4
231.06503	1.8
231.10229	32.5
232.10605	1.6
233.08224	1.7
246.05383	0.5
247.09721	1.3
249.11322	0.9
257.08304	0.5
275.09225	88.3
276.09613	6.0
293.10281	100.0
294.10602	7.4
329.51501	0.4
337.05750	0.4
339.07993	0.3
377.82339	0.3
409.11465	16.2
410.11816	1.2
452.68820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96231	1.3
69.03463	0.7
70.16828	1.3
71.01375	7.1
71.78374	0.4
72.99339	0.4
73.02947	2.0
78.98587	6.1
79.95364	0.3
79.95729	18.2
80.96511	68.1
81.03450	1.0
82.96095	0.4
85.02937	2.2
87.00890	2.1
94.98076	15.8
96.96016	1.1
97.02956	1.4
98.19852	0.4
99.00896	0.5
101.02419	2.0
106.98072	2.6
122.97575	3.8
125.02451	2.8
127.04031	0.8
134.97574	4.5
136.99149	1.6
146.97501	0.5
148.99123	6.2
152.98628	6.0
161.68320	0.4
164.98616	11.8
179.00266	0.4
195.92329	0.4
206.99629	3.4
213.23924	0.4
225.00717	20.6
226.00952	0.6
255.23332	1.5
283.04913	1.1
341.05560	0.6
355.06818	0.5
528.18182	0.4
537.27386	1.7
550.83435	0.4
607.24243	1.3
609.29089	0.6
623.31000	0.5
747.40326	0.6
832.13947	0.4
863.48181	100.0
864.48572	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	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45979	0.6
61.98846	1.3
69.03453	1.6
71.01375	14.9
72.99321	1.5
73.02946	1.9
73.40390	0.6
79.06339	0.5
80.02673	1.0
80.57990	0.6
80.96517	0.7
81.03446	1.7
83.01383	2.3
83.05029	4.4
84.02170	1.0
85.02950	3.6
87.00880	3.6
89.02440	13.0
97.02982	2.8
99.00848	1.2
101.02435	12.1
113.02448	6.5
119.03479	4.1
125.02453	5.3
131.03491	0.7
143.03499	2.7
161.04538	3.0
163.11293	4.3
165.12778	1.9
176.56805	0.6
179.05603	3.4
181.12389	0.6
193.20670	0.6
209.11807	100.0
210.12158	4.8
221.06723	0.6
227.12859	12.0
235.08223	4.1
255.23264	49.7
256.23657	3.2
259.08087	0.7
287.07669	1.5
305.08774	1.5
309.14749	0.6
323.09769	1.1
379.12473	8.2
397.13474	37.0
398.13757	2.1
415.14490	7.9
576.23669	0.6
607.25897	1.2
653.37439	1.8
665.15717	0.7
710.22333	0.6
817.25720	0.7
863.47797	0.8
893.42639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01700	0.2
66.25788	0.1
69.03454	0.3
69.21034	1.3
71.01374	2.4
73.02944	1.7
74.02482	0.3
79.05527	2.0
80.02692	0.5
81.03452	1.7
83.01392	0.5
83.05020	1.3
85.02940	0.6
87.00866	0.2
89.02463	0.3
93.03465	0.2
95.05018	5.3
96.95982	0.3
97.06598	0.2
101.02431	1.7
102.02798	0.2
105.03466	0.2
108.02153	0.3
109.06583	1.1
113.02437	0.5
115.00375	0.5
119.03518	0.3
119.08616	0.7
121.06602	1.3
123.04515	1.7
133.01428	0.5
135.04504	0.2
135.08151	1.3
137.09731	0.9
143.03459	0.2
144.05833	0.4
149.04564	0.2
149.09694	0.9
151.11270	2.0
153.09131	0.1
159.08177	1.7
161.04562	1.3
161.09706	26.3
162.10068	1.3
163.11301	0.2
164.08401	5.7
165.08792	0.3
177.09235	0.5
179.10760	100.0
180.11095	4.9
180.12697	0.3
187.11288	0.4
190.10007	0.7
203.05615	1.3
205.12318	4.6
206.12630	0.4
216.57091	0.2
221.06744	0.3
221.11963	0.3
223.13361	2.4
245.09261	0.4
323.14990	0.1
331.04712	0.1
341.16098	0.2
350.75400	0.2
360.10547	0.1
367.17532	0.2
383.17062	10.3
384.17416	0.8
401.18204	0.3
427.19812	0.3
471.15741	0.2
714.06647	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	853.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59431	0.3
71.01376	1.2
72.99303	0.3
79.95723	1.4
80.05064	0.2
80.96512	1.3
83.01390	0.1
85.02947	0.3
87.56377	0.1
89.02432	0.5
92.41470	0.1
95.95208	0.6
96.96003	42.5
101.02415	0.6
106.06621	0.6
108.04558	0.1
108.08185	0.2
111.04529	0.2
113.02430	0.4
115.00382	0.2
117.71217	0.1
119.03529	0.1
122.97557	0.5
132.04527	0.9
133.01492	0.1
134.09694	0.2
138.97061	0.7
144.08192	0.2
150.97018	0.7
152.07094	0.2
160.07689	0.3
164.98599	0.3
180.98103	0.5
187.08725	0.6
190.32106	0.1
197.10971	0.1
198.99139	0.3
210.07745	0.1
211.08795	0.4
224.09441	0.6
225.00752	0.3
225.10223	0.5
239.11868	1.3
241.00182	1.8
241.09721	0.2
283.10974	0.2
318.87387	0.1
329.11337	0.3
341.09061	100.0
342.09375	6.0
365.13596	0.2
366.14368	0.2
509.71530	0.1
543.15851	0.2
618.92712	0.1
632.23132	0.2
729.27692	0.2
747.28467	0.4
773.26794	0.4
791.27673	1.6
792.27979	0.4
809.28632	2.7
810.29498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45066	0.2
61.98828	100.0
62.99218	0.2
71.01381	0.3
88.98795	0.3
126.93108	0.2
127.07600	0.2
216.44943	0.2
230.32494	0.2
248.31927	0.2
249.23128	0.2
260.59402	0.2
299.27374	0.2
582.77130	0.2
780.20508	0.3
849.42273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.01421	0.1
71.01385	0.5
71.06094	0.2
80.96503	0.2
84.65079	0.1
92.92793	0.1
96.96040	0.2
104.80179	0.1
107.19367	0.1
109.32262	0.1
115.00307	0.2
116.92860	0.2
118.92683	0.1
131.05318	0.1
133.01434	0.3
154.06256	0.1
163.99715	0.1
168.32430	0.1
171.10344	0.2
209.11882	0.4
290.67276	0.1
349.77521	0.1
385.83829	0.1
850.40686	0.2
851.41736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2779
Annotation	Hydroxymethylbilane
Peak:m/z	Relative Intensity
63.75683	0.9
71.01380	11.3
71.63593	1.0
80.05052	11.1
83.03102	1.1
83.03531	1.5
83.05003	3.4
89.02448	1.2
96.95996	4.3
97.06590	1.1
101.02435	1.0
104.05034	1.1
106.06622	21.4
108.04514	4.4
108.08185	8.4
109.02879	1.0
110.06098	1.9
111.04523	6.5
115.00356	4.2
116.95066	1.1
118.06696	1.1
122.06113	5.7
130.06573	1.2
132.04550	24.2
132.08171	4.0
133.01425	4.8
134.06128	8.6
134.09718	3.8
136.04053	1.7
138.05569	1.4
144.08165	4.2
145.05321	2.0
146.06090	3.6
148.07689	3.3
152.07159	10.7
158.06134	1.7
159.06895	2.4
159.09268	8.2
160.07664	12.5
168.06898	2.5
169.07718	4.8
172.07712	1.9
174.05545	1.5
175.08792	1.3
178.05031	3.3
183.09242	4.1
183.83269	1.0
185.07173	2.4
186.07942	2.3
187.05078	2.2
187.06374	3.0
187.08760	25.9
188.07166	5.3
188.08884	1.4
190.05055	2.6
196.07806	1.1
197.07172	4.3
197.10814	2.7
199.12404	3.1
203.08260	9.6
204.06505	1.0
205.09770	1.7
209.07143	2.6
210.07870	2.8
211.08719	13.2
212.10794	3.2
213.06671	2.0
213.10287	8.2
214.08755	1.3
223.08754	4.5
224.09514	46.7
225.06628	1.6
225.10262	14.0
225.13757	1.0
226.10706	1.2
227.11897	1.2
229.09657	1.1
231.10156	1.2
235.08702	1.1
237.10336	4.5
238.11076	3.5
239.08040	2.8
239.11873	93.6
240.09070	1.2
240.12209	6.3
241.09795	7.3
241.13448	4.1
249.10387	1.9
253.09708	2.1
253.13441	1.9
254.10628	1.2
255.07529	1.2
255.11295	3.4
257.09183	2.2
257.12927	1.4
263.11865	1.3
265.09851	3.3
267.11435	4.5
269.09073	1.0
271.10818	1.6
273.07755	1.0
273.12378	2.1
275.09171	2.2
283.10886	10.2
285.12360	9.9
286.12598	1.1
295.14053	1.3
295.76599	1.0
297.12421	2.1
307.11017	2.0
311.10248	1.5
315.13373	1.4
320.13898	1.2
321.12289	1.0
322.12805	1.5
323.13989	1.6
327.09787	3.2
329.11456	7.3
330.11658	1.2
335.12402	3.9
338.15076	1.1
339.13394	3.8
346.15344	1.3
351.13519	1.3
366.14914	2.4
374.14572	1.1
401.14835	6.2
417.16663	1.1
419.18158	3.2
426.14435	1.0
433.15994	1.6
435.17697	5.2
440.16119	1.2
453.19263	6.1
454.19562	1.0
463.08932	1.2
507.20728	1.3
521.18842	1.2
543.18213	2.1
614.23376	3.4
632.24707	2.9
635.90167	1.1
685.28131	2.7
703.30078	4.0
729.27673	7.7
747.28790	31.5
748.29065	6.0
765.30194	12.4
766.30084	2.9
773.26636	20.2
774.27008	4.0
791.27722	100.0
792.28027	23.2
809.28809	98.0
810.29108	18.4
869.96851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.489
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96239	5.4
71.01354	6.4
71.50869	5.7
71.91332	5.0
76.23113	4.7
78.95905	24.2
79.95724	12.9
80.96514	79.8
94.98087	18.6
134.97504	6.9
144.07597	4.6
151.24220	4.6
164.98607	6.3
217.00299	5.7
225.00674	14.7
241.01233	6.3
255.23297	17.9
463.02405	5.2
476.26810	7.0
800.63202	5.4
847.49109	100.0
848.49792	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	847.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71229	2.2
61.98825	32.0
70.23715	8.4
71.01383	11.6
73.02901	2.2
77.76874	2.1
78.98578	7.2
79.95728	18.1
80.96028	4.4
80.96510	90.1
82.96085	3.4
85.02939	2.6
87.00875	3.4
94.98085	19.2
98.20632	3.3
101.02462	2.5
106.98083	3.9
109.25768	2.2
122.97564	4.2
125.02391	3.9
134.97552	7.3
148.99071	6.6
152.98553	7.0
164.98618	12.2
172.10262	2.3
206.99663	4.8
225.00699	22.0
396.34619	2.4
563.22180	2.7
641.89880	2.5
847.48492	100.0
848.48859	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	847.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.05285	0.3
61.98817	1.0
63.96241	2.3
66.95837	0.3
69.03456	0.8
71.01377	10.7
72.99287	0.4
73.02937	2.0
78.74444	0.3
78.98578	7.5
79.95726	20.9
80.96509	99.6
81.03442	1.0
81.95292	0.3
82.03303	0.3
82.96100	1.4
83.01407	0.5
85.02947	3.3
87.00867	3.8
93.45204	0.3
94.98077	22.5
95.01447	0.6
96.95979	1.7
97.02955	1.7
99.00851	0.7
101.02425	3.2
106.98074	4.2
108.35096	0.4
113.02397	0.6
122.97570	4.7
125.02451	4.3
127.03967	1.1
134.97569	7.2
136.99139	2.3
146.97540	0.4
148.99126	9.3
149.99496	0.3
150.39383	0.3
152.97470	0.6
152.98628	6.7
153.98907	0.4
161.04543	0.6
164.98608	15.5
167.00183	0.6
179.00192	0.7
188.98599	0.6
196.66066	0.3
206.99646	4.0
225.00706	24.9
226.01086	0.6
243.01878	0.4
255.23152	1.8
281.03568	0.4
283.04807	0.8
368.33868	0.4
456.87109	0.4
495.06836	0.3
537.27380	2.3
591.24750	1.5
609.28821	0.4
637.32776	0.5
678.66211	0.4
847.48633	100.0
848.48969	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	847.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.1
61.98827	7.0
62.79479	0.4
63.96232	2.8
63.98408	0.5
69.03458	0.9
69.78111	1.8
71.01379	10.6
72.99308	0.6
73.02935	1.7
78.98584	8.5
79.95345	0.5
79.95731	20.8
80.96512	100.0
81.03460	1.0
82.96107	1.2
85.02939	3.7
87.00861	3.2
94.98081	21.3
94.98694	1.0
96.96004	2.1
97.02951	2.0
98.82927	0.4
99.00883	1.1
101.02433	2.8
101.97802	0.5
102.18248	0.4
106.98083	3.7
122.97581	4.5
125.02431	3.0
127.03995	1.2
134.97588	5.6
136.99136	1.3
146.97557	0.6
148.99130	8.5
152.98622	7.8
161.04591	0.5
164.98621	13.0
169.60008	0.5
188.98561	0.4
206.99640	3.2
214.96494	0.5
220.74889	0.5
225.00728	21.7
226.01042	0.9
255.23238	2.0
537.26947	2.2
547.82159	0.6
591.24512	1.0
594.77551	0.5
847.48682	99.1
848.49078	23.6
848.65643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01715	0.7
61.68478	0.2
69.03448	0.9
70.01514	0.2
71.01379	25.4
71.51737	0.2
71.52119	0.3
72.01727	0.4
72.02106	0.2
72.99306	1.5
73.02943	27.8
73.51314	0.2
74.03294	0.2
75.00871	0.5
81.03455	0.5
83.01386	9.1
83.05037	0.8
84.01722	0.2
85.02946	2.8
85.30090	0.2
87.00878	0.7
89.02438	9.9
95.01377	1.5
96.96017	1.0
97.02934	0.6
99.00872	0.5
99.04549	0.2
101.02435	29.8
102.02799	0.7
113.02442	11.8
114.02773	0.3
115.00397	0.9
119.03488	5.4
125.02453	1.1
131.03476	3.5
133.01433	1.2
143.03494	3.7
147.03027	0.3
149.04538	8.9
149.05711	0.4
155.03497	1.4
161.04546	12.7
163.11369	0.3
165.12779	0.4
179.05655	0.9
191.05637	0.4
191.10556	0.3
203.05566	2.0
209.11807	23.1
210.12242	1.3
221.06639	5.1
227.12849	2.6
253.09264	3.3
254.09566	0.4
261.13394	0.6
275.09418	0.4
293.10168	0.3
303.14444	2.9
383.08105	0.4
445.20673	1.5
463.22162	0.6
495.30093	0.3
817.87701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98827	100.0
62.98536	0.1
62.99281	0.1
63.61753	0.1
71.01418	0.1
78.13302	0.1
80.96538	0.1
110.01999	0.1
115.00416	0.1
125.09690	0.1
129.10370	0.4
133.01413	0.1
140.07228	0.1
165.10324	0.2
169.71445	0.1
172.42590	0.1
207.15047	0.3
209.11928	0.2
224.17714	0.1
242.18788	0.3
290.79022	0.1
301.57239	0.1
313.22476	0.1
337.26065	0.2
355.26840	0.1
549.97522	0.1
583.78571	0.1
672.25342	0.1
728.81250	0.1
782.51770	4.6
783.52264	1.1
845.52539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98518	0.1
62.99252	0.1
68.35136	0.1
69.49734	0.1
70.72942	0.2
71.01402	0.1
76.29575	0.1
78.95920	0.1
79.95724	0.1
80.96516	0.7
94.98096	0.2
121.17667	0.1
164.98627	0.1
219.72539	0.1
220.32458	0.1
225.00673	0.1
239.89893	0.1
277.21945	0.1
340.63702	0.1
355.90619	0.1
415.79657	0.1
577.37805	0.1
837.48480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98824	100.0
62.98523	0.4
71.01381	0.3
71.51699	0.3
71.52164	0.3
73.02903	0.3
78.95921	0.4
79.95723	0.4
80.96515	0.3
81.88885	0.2
92.22815	0.2
99.92585	0.6
116.92855	5.2
116.93634	0.4
121.03952	0.2
141.65096	0.2
234.90877	0.3
277.21851	0.3
473.46155	0.3
508.12842	0.2
513.50623	0.3
803.70959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.7
65.00344	1.2
69.18305	4.2
71.01366	1.3
71.16000	0.4
72.99345	0.4
91.76851	0.4
93.03463	0.6
95.22457	0.4
96.96006	0.7
97.02945	1.3
109.02968	1.3
109.95288	0.4
114.57695	0.4
115.00336	0.7
120.19254	0.4
121.02954	3.4
133.01440	0.9
149.99567	0.6
151.00293	0.6
152.01187	0.5
165.01918	11.4
166.02187	0.7
193.01349	2.1
199.03958	1.5
201.02089	0.5
203.03568	0.6
215.03528	1.0
227.03484	2.1
242.02168	0.7
243.02922	3.8
254.02191	0.7
255.02890	1.3
256.03568	0.5
257.04446	0.7
269.04532	2.0
270.01593	0.7
271.02451	50.0
272.02838	3.8
285.03943	3.6
286.04721	0.8
287.05383	0.6
293.10226	0.6
299.01932	97.0
300.02417	9.5
313.03455	1.2
314.04285	100.0
315.04926	19.9
316.05243	0.9
339.04520	0.5
343.10657	1.0
357.06235	0.8
771.19812	91.4
772.20135	18.2
791.28271	1.0
808.21985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97122	0.2
61.98826	100.0
69.28209	0.9
69.28633	0.3
71.01418	0.1
80.96525	0.2
123.69644	0.2
130.32736	0.2
210.17477	0.2
212.08699	0.2
239.09970	0.2
689.25171	0.2
835.41449	0.2
855.93323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.4
58.42650	0.1
59.01377	7.5
61.04110	0.2
61.98818	0.6
69.03445	0.6
71.01376	8.2
71.51340	0.2
72.99301	0.7
73.02946	1.2
74.92281	0.1
75.00877	0.3
75.17806	0.2
80.02666	1.3
81.03457	1.8
83.01392	1.1
83.05018	5.6
84.02161	0.8
85.02946	1.9
87.00867	2.3
89.02442	6.8
93.03412	0.2
95.01377	0.6
95.05042	1.1
96.96001	1.0
97.02956	1.0
97.06591	0.2
99.00891	0.3
101.02438	6.0
109.06577	0.5
111.00823	0.2
113.02441	3.2
115.00376	1.0
119.03500	2.2
125.02449	2.8
125.06087	0.4
125.09708	0.3
127.11266	0.2
131.03471	0.4
131.22342	0.2
133.01442	1.1
133.02927	0.3
134.01675	0.2
134.03725	0.2
135.04489	0.5
135.08208	0.8
139.03986	0.3
141.01955	0.3
143.03529	1.0
145.01392	0.2
147.11818	0.2
161.04547	1.8
163.11285	4.1
165.12831	2.5
166.13112	0.3
171.10262	0.9
175.02483	0.2
177.01730	0.2
178.02734	0.4
179.03343	0.2
179.05597	2.2
181.12341	0.8
191.05643	0.2
191.10698	1.1
199.13406	0.6
202.59608	0.2
209.11807	100.0
210.12155	6.8
217.07091	0.3
221.06633	0.6
221.11795	0.3
223.13226	0.2
225.11369	0.3
226.40045	0.2
227.12865	16.8
228.13197	0.9
235.08202	2.2
236.08282	0.3
247.13429	0.4
251.12839	0.4
253.09299	0.3
259.08145	0.2
263.07721	0.3
265.14337	0.2
275.09290	0.7
287.07663	0.8
305.08661	1.0
323.09753	0.7
379.12387	3.2
397.13461	20.2
398.13809	1.7
401.23328	0.2
413.18555	0.2
415.14532	5.3
416.14743	0.4
419.24387	0.3
589.24945	0.5
607.25922	1.5
678.67981	0.2
729.57904	0.2
791.38477	0.2
799.37659	0.7
817.38824	0.4
835.40771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
63.96218	1.1
69.03452	0.9
70.35706	1.3
71.01387	6.6
73.02934	1.3
78.95904	30.9
78.98580	4.0
79.71484	0.7
79.95737	18.2
80.96514	58.4
81.03463	0.9
85.02937	1.5
87.00885	1.6
94.98082	11.6
96.95985	1.7
96.96965	7.0
96.97546	1.1
97.02927	1.0
98.20584	0.8
101.02426	2.2
106.98083	2.2
116.92863	0.9
122.97589	3.8
125.02449	1.9
134.97578	4.2
136.99123	1.2
148.99124	4.5
152.98581	4.3
152.99652	8.8
155.56212	0.6
164.98618	8.0
165.01169	0.6
206.99617	2.7
223.00090	3.0
225.00710	11.9
241.01201	11.1
242.01529	0.6
255.23283	23.6
256.23566	1.6
259.02274	0.9
277.21704	13.6
278.22183	1.4
279.23376	0.9
286.75604	0.8
297.03717	0.9
305.66562	0.7
391.22501	2.6
397.81067	0.6
397.89752	0.7
440.30640	0.7
470.89828	0.7
537.27264	1.4
553.27936	2.6
575.26196	1.2
831.49677	100.0
832.49890	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98823	1.2
63.96234	1.6
64.74677	1.0
69.03433	1.1
71.01378	8.4
71.37874	1.2
71.38215	1.2
72.99283	1.3
73.02937	1.8
78.98576	7.7
79.77134	0.8
79.95732	31.4
80.96510	80.7
85.02946	2.9
85.50902	0.9
87.00858	2.0
94.98080	23.9
96.96010	2.2
97.02926	2.0
101.02438	3.1
106.98074	4.6
122.97553	5.8
125.02438	4.7
128.46603	1.0
134.97586	4.7
136.99176	1.7
148.99147	6.2
152.98625	8.6
161.04524	1.3
164.98625	13.1
206.99634	4.6
225.00708	24.0
226.00838	1.0
241.00192	1.7
255.23254	2.0
273.82727	0.9
283.04953	2.0
341.05283	1.6
355.06454	1.2
470.50494	1.0
537.27112	3.3
575.25244	1.3
578.59021	1.0
609.29224	1.6
831.49231	100.0
832.49689	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	829.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	2.7
59.01379	43.9
61.98814	2.6
69.03472	0.7
69.38110	4.4
71.01381	48.8
72.99297	4.3
73.02947	9.9
78.20242	0.6
83.01390	7.3
84.02183	0.7
85.02946	15.3
87.00867	3.4
89.02442	26.0
93.38114	0.6
95.01383	3.9
96.96004	1.9
97.02943	1.8
99.00874	2.9
101.02439	41.2
102.02737	1.0
111.00809	0.8
113.02451	16.2
113.54190	0.6
115.00361	2.2
118.58598	0.6
119.03507	7.4
121.62570	0.6
125.02409	0.8
131.03513	1.4
133.01395	1.9
133.02966	0.8
134.48608	0.6
135.04489	1.1
137.02440	1.2
143.03494	3.7
159.02956	1.1
161.04538	12.1
161.86507	0.6
179.03474	0.7
179.04239	0.7
179.05592	4.4
193.71877	0.6
209.11874	1.5
211.83510	0.6
221.06679	1.3
225.11238	1.2
263.07843	0.8
361.41891	0.6
409.54752	0.7
607.38495	11.0
608.38873	1.1
769.43744	100.0
770.43982	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	831.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	1.0
69.03465	0.3
69.32468	1.3
71.01378	7.3
72.99305	0.3
73.02943	3.6
73.03316	0.3
76.28696	0.2
83.01385	2.0
83.05022	2.2
85.02945	4.2
87.00890	0.5
89.02441	0.5
95.01393	0.7
97.02953	0.3
99.00864	1.4
101.02436	9.1
113.02459	3.6
115.00414	0.5
115.07707	0.3
129.02026	0.2
143.03494	0.4
159.03018	0.9
159.10287	1.1
161.04533	3.6
201.12907	0.3
219.14032	0.2
227.14465	0.3
229.12549	0.3
243.14029	0.2
245.15437	0.5
249.13394	18.8
250.13866	0.9
260.55957	0.3
291.14474	15.4
292.14850	1.4
297.48630	0.2
304.57327	0.2
317.17926	0.2
328.49371	0.2
335.13754	0.4
335.18286	0.8
364.88858	0.2
456.60178	0.2
477.28754	0.3
495.29608	13.8
496.29807	2.1
558.80115	0.2
610.31262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67255	4.3
59.01405	7.6
61.98824	100.0
69.42854	39.1
71.01374	19.9
71.16079	5.4
78.95874	5.5
79.95731	6.8
80.96524	18.2
94.98076	7.7
96.96021	52.5
112.64188	5.1
115.00340	9.4
133.01410	8.3
133.02945	9.9
134.03757	5.7
137.02440	8.0
171.10333	8.8
177.01891	15.0
178.02721	8.4
195.48019	5.2
209.11839	54.1
211.13335	8.5
227.12924	10.8
253.09384	10.8
291.19760	6.4
309.20694	37.1
445.21249	7.5
452.04248	6.0
513.28558	18.7
823.42242	49.4
824.42883	12.6
858.74103	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	824.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98518	0.2
71.50946	0.2
71.96845	0.1
73.75343	0.1
73.82917	0.1
78.95911	0.5
80.96523	0.2
95.84529	0.1
118.97914	0.2
131.12610	0.1
134.20146	0.1
191.59006	0.2
196.89598	0.2
308.41068	0.1
747.85425	0.2
783.38861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.7
60.01709	0.2
60.89658	0.1
69.03438	0.2
69.16138	1.2
71.01372	1.6
73.02940	1.2
79.05532	1.9
80.02666	0.4
81.03443	1.6
83.01410	0.3
83.05030	1.0
85.02947	0.4
87.00872	0.2
87.66795	0.1
95.05022	5.6
96.05350	0.2
97.06579	0.1
99.00883	0.3
101.02430	1.1
105.03466	0.4
106.04245	0.2
107.04994	0.1
108.02153	0.3
109.06576	1.3
113.02444	0.3
115.00343	0.2
119.08654	0.6
121.06592	1.4
123.04517	1.4
123.08124	0.2
126.56335	0.1
133.01378	0.2
135.08147	1.4
136.08421	0.2
137.09714	1.1
143.03577	0.2
144.05806	0.5
145.06566	0.3
149.09663	1.0
151.11256	1.7
159.08150	1.9
161.04597	0.7
161.09706	27.7
162.10019	1.7
163.07640	0.2
163.11314	0.2
164.08411	6.1
165.08755	0.3
177.09210	0.5
179.10759	100.0
180.11096	5.4
187.11311	0.3
188.14293	0.1
190.09953	0.5
203.05602	1.2
205.12305	2.9
206.12566	0.2
220.36099	0.1
223.13383	2.1
224.13702	0.2
269.10321	0.3
290.91110	0.1
311.11237	0.2
383.17081	5.1
384.17413	0.6
497.79837	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	827.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.2
59.01376	100.0
60.01718	0.8
61.77983	0.3
61.98821	2.4
70.65881	0.8
71.01377	20.4
72.01704	0.4
72.99294	1.9
73.02948	3.6
75.00872	0.5
78.95894	0.4
83.01369	1.7
85.02946	5.5
87.00872	1.9
88.98824	0.9
89.02441	14.6
95.01382	1.6
96.95976	0.4
97.02959	0.6
99.00882	1.0
101.02434	12.0
102.02785	0.3
113.02444	8.4
115.00360	1.6
119.03488	7.1
125.02486	0.9
131.03513	1.0
133.01437	1.5
133.02946	0.6
134.03723	0.5
135.04509	1.0
142.89647	0.3
143.03497	2.1
143.63950	0.4
149.04547	0.8
160.97543	0.3
161.04535	2.6
177.01907	0.7
178.02660	0.5
179.03500	1.2
179.05606	3.4
187.78618	0.3
275.09225	0.5
277.51138	0.4
340.63791	0.3
544.86279	0.4
561.37762	0.4
675.41003	0.4
723.43134	15.7
724.43237	3.6
741.44214	7.6
742.44409	1.7
783.45398	4.0
784.45911	1.3
813.06512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98827	100.0
62.11088	0.1
62.98525	0.2
69.57504	0.1
71.01393	0.5
71.21547	0.2
80.96516	0.3
94.98107	0.2
96.96008	0.3
115.00391	0.4
133.01440	0.3
133.02936	0.7
134.03726	0.2
137.02531	0.2
171.10258	0.2
177.01964	0.6
185.11975	0.2
209.11946	0.3
210.81789	0.1
211.13373	0.2
216.84846	0.1
309.20636	0.2
327.15842	0.2
348.74448	0.2
376.26001	0.2
400.87433	0.2
417.48560	0.2
472.15091	0.2
663.03015	0.2
738.78418	0.2
749.44757	0.2
822.41632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.3
59.01379	3.3
60.57914	0.2
61.98821	0.4
67.84290	0.2
71.01376	1.7
71.52162	0.3
73.02934	0.3
96.96013	0.7
99.29358	0.2
100.89771	0.2
101.02439	0.9
115.00373	1.4
121.02947	0.5
122.03748	0.3
133.01410	1.4
133.02934	0.2
134.01825	0.2
134.03737	0.9
135.04588	0.8
141.20825	0.2
145.01427	1.4
147.04527	1.0
148.05299	96.0
149.05615	3.9
161.04622	0.2
163.07639	100.0
164.07971	4.7
178.02689	0.6
179.03349	0.6
191.05580	0.2
203.05640	0.5
209.11765	0.3
227.37479	0.2
254.50484	0.2
270.64166	0.2
275.09274	0.7
276.09634	0.2
293.10306	0.5
293.33151	0.2
294.10562	0.4
295.10800	0.2
367.14151	1.0
390.56720	0.2
455.11786	0.2
491.82315	0.2
602.48383	0.2
823.22412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98535	0.1
69.91011	0.3
71.01381	0.3
78.95908	0.1
78.98614	0.1
79.95744	0.4
80.96515	2.0
85.02955	0.1
94.98091	0.4
98.20584	0.1
101.02493	0.1
121.67574	0.1
122.97553	0.1
134.97588	0.2
148.99162	0.2
152.98637	0.1
164.98672	0.3
209.11870	0.3
210.12169	0.1
211.12416	0.1
225.00671	0.5
244.66705	0.1
270.77704	0.1
277.21948	0.1
278.22305	0.2
279.22379	0.1
293.22134	0.1
299.86151	0.1
402.56113	0.1
559.24609	0.1
660.31665	0.1
819.41937	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	818.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.7
61.98827	15.7
66.03449	0.6
68.36857	0.6
71.01384	0.8
73.75300	0.7
78.95894	1.0
79.95743	0.7
80.05045	0.7
80.96496	1.9
82.06625	1.6
84.08149	0.9
87.05617	4.5
88.98801	1.2
94.06606	1.0
95.02484	1.0
95.03162	0.8
97.04034	1.0
98.02449	1.5
110.03593	0.8
111.01987	1.0
112.07650	1.2
115.00352	0.8
121.04067	1.4
128.68701	0.7
129.09457	1.0
129.10339	16.4
130.08708	2.8
139.08783	3.4
140.07172	3.2
146.06091	1.8
153.10300	1.0
154.09665	0.6
155.08267	4.3
155.11900	1.3
164.09537	4.0
165.10338	5.1
167.08229	0.9
180.11270	0.8
182.12959	2.9
182.15445	0.9
183.11339	2.0
195.14963	1.2
197.16595	3.3
200.14079	5.2
207.14986	13.3
208.10965	0.6
208.13393	0.8
208.15338	1.5
212.74063	0.7
214.53293	0.7
217.09818	0.8
224.17686	7.0
225.16107	3.3
241.13464	3.5
242.11835	1.7
242.18703	12.6
259.14529	5.0
268.20172	0.6
269.16681	0.8
276.17194	1.8
295.21365	6.1
303.68387	0.7
312.17166	2.7
313.22421	4.8
329.19897	1.3
330.18173	2.8
337.26068	7.9
338.26477	1.0
347.20547	1.8
354.22131	0.9
354.26419	0.8
355.27155	4.1
389.25397	1.2
401.32135	0.7
426.30725	0.8
443.26425	0.7
468.35507	0.9
539.39050	2.4
556.34668	0.9
573.37622	1.8
597.81000	0.7
615.42560	1.0
782.51788	100.0
783.52106	27.6
818.49768	15.0
819.50922	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.2
58.00591	4.5
59.01376	92.3
60.01712	2.6
61.98829	41.3
69.03440	1.6
71.01376	100.0
72.99303	8.1
73.02940	18.7
75.00831	2.8
78.54553	2.3
83.01381	8.7
85.02943	35.7
87.00869	10.2
89.02437	45.8
95.01372	8.9
96.96008	9.6
97.02959	5.9
99.00885	5.2
101.02431	45.7
111.00867	3.9
113.02439	43.9
115.00369	9.7
119.03492	15.1
124.01676	2.3
125.02444	7.1
131.03479	3.4
133.00391	1.6
133.01425	8.3
133.02948	2.2
135.04532	2.2
143.03494	6.4
145.32166	2.0
155.64445	2.2
161.04546	9.0
171.10252	2.3
178.02692	4.3
179.05655	5.5
191.05534	3.2
197.11865	2.1
209.11772	10.1
211.13435	1.9
219.98567	1.8
225.00652	1.8
225.11412	2.2
327.15805	2.2
382.89365	1.7
383.95468	2.0
457.99799	2.1
555.31879	14.2
556.32538	2.6
573.32788	19.6
717.36920	78.9
718.37158	17.0
735.38098	81.3
736.38550	20.7
777.39343	31.9
778.39642	6.7
821.37744	5.7
834.38300	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
69.98331	1.2
71.01379	12.2
72.99309	2.5
75.00867	1.6
85.02948	0.6
87.00870	0.6
89.02437	2.0
101.02458	0.7
107.05044	0.5
113.02473	0.3
115.00366	31.3
116.00739	0.8
116.05054	2.7
119.03495	0.3
128.05054	0.4
130.06604	0.2
133.01425	100.0
134.01764	1.7
134.03732	1.8
135.02917	1.0
135.04521	23.5
136.04868	1.3
151.57919	0.2
158.06108	2.9
161.04457	0.4
162.34038	0.2
175.02452	0.5
177.01855	0.4
179.03491	24.9
180.03809	0.9
184.07718	0.5
188.87955	0.2
191.05486	0.2
210.05551	3.9
295.04553	6.9
295.07684	0.4
296.04993	0.5
320.11545	0.3
321.70224	0.3
364.14011	0.5
390.11917	1.4
406.11417	0.4
408.12985	10.2
409.13232	1.1
466.13843	0.3
730.49512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98826	100.0
65.00349	0.7
71.01359	3.5
72.99332	0.8
75.55656	0.6
89.02445	1.1
93.03475	1.2
101.02455	1.0
112.36570	0.6
113.02407	0.6
115.00377	3.5
133.01414	4.8
133.02960	1.0
134.03749	1.1
135.04504	1.7
151.00380	0.8
152.07109	0.8
165.01944	3.8
179.03549	1.0
180.24504	0.7
183.04587	0.7
191.05617	1.4
211.03993	1.0
227.03488	5.0
228.04134	0.7
229.12231	0.7
240.04362	0.8
243.06595	1.3
250.65582	0.6
255.02972	30.5
256.03641	3.6
269.04721	1.0
271.06030	3.4
283.02457	73.8
284.03091	12.1
293.10358	1.7
298.04800	59.5
299.05499	26.6
300.06033	1.3
341.06543	1.0
672.22162	0.7
702.24207	1.3
755.20361	79.1
756.20569	17.3
775.28662	1.2
814.10126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98825	100.0
62.98521	0.3
69.67561	0.1
70.65807	0.3
71.01389	0.6
75.00841	0.1
76.51649	0.2
79.95741	0.4
80.96504	1.8
85.02983	0.2
87.00881	0.2
88.53860	0.2
88.98804	0.4
94.98085	0.3
96.96050	0.2
110.38554	0.2
115.00400	0.3
116.93034	0.1
125.02461	0.2
125.03403	0.1
133.01425	0.5
133.02893	0.2
135.04475	0.2
152.98662	0.2
153.58861	0.2
156.24593	0.2
164.98689	0.2
171.10323	0.2
173.53255	0.2
209.11815	1.9
210.12186	0.6
225.00755	0.4
227.13055	0.3
293.21481	0.2
342.16974	0.2
355.36633	0.2
403.05240	0.2
806.59546	0.2
817.50360	0.3
818.36914	0.2
818.50836	0.9
819.38110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98828	100.0
62.98535	0.2
63.15468	0.2
71.01383	0.5
71.52047	0.2
73.02945	0.2
78.95913	0.2
78.98598	0.2
79.95721	0.4
80.96510	3.4
80.96968	0.3
94.98103	0.9
100.69529	0.1
102.82574	0.2
109.54144	0.2
116.92880	0.4
125.02445	0.1
133.01382	0.2
134.97589	0.2
150.75107	0.1
152.98608	0.2
153.32681	0.2
164.98665	0.4
166.97014	0.1
181.08763	0.2
188.90683	0.1
197.11839	0.4
209.11859	0.5
225.00771	0.7
271.84579	0.2
307.19449	0.2
309.20630	0.2
311.22198	0.2
505.99292	0.2
579.02551	0.2
815.50092	0.3
816.50171	2.5
817.51318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
57.09727	1.2
59.01378	26.1
59.64246	1.2
61.98827	18.2
69.03429	2.0
69.86664	6.3
71.01381	23.9
71.91283	1.0
72.99284	2.7
73.02943	9.4
78.95898	1.4
80.96519	3.3
82.96066	1.1
83.01394	5.1
83.05019	1.1
83.18633	1.1
85.02942	7.6
87.00861	3.7
89.02454	7.9
94.98085	1.2
96.95989	2.0
97.02942	1.5
99.00861	1.4
99.04533	1.8
101.02448	15.8
111.04499	1.1
113.02441	7.1
114.02679	1.3
115.00368	8.6
119.03481	2.9
131.03468	2.5
133.01431	10.8
133.02954	1.8
135.04515	2.8
135.08167	1.5
149.06047	4.1
150.06856	45.2
151.07309	1.3
161.04553	4.5
162.06900	5.9
163.07639	19.3
164.08383	6.6
171.10426	1.2
176.08453	2.3
177.09152	3.4
178.02687	1.5
178.09959	3.1
179.03448	1.3
179.10780	9.2
193.26457	1.1
209.11908	7.2
211.13295	2.1
216.59753	1.2
265.25299	3.0
267.23300	3.1
275.20038	2.6
305.74335	1.3
311.25726	2.3
313.23633	6.4
396.55783	1.1
407.24475	2.9
432.32266	9.5
433.32663	1.4
446.33792	8.9
447.34720	18.5
448.35147	4.1
449.26114	1.2
473.32516	2.5
474.33630	6.0
475.34064	4.2
492.34485	11.2
493.35287	34.7
494.35767	3.8
551.28601	2.1
569.29407	8.2
570.29987	2.2
637.39313	1.9
655.40631	10.1
656.41254	2.3
757.44458	2.4
817.45990	100.0
818.46405	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01376	1.5
61.98812	0.3
63.96230	2.1
69.03452	0.9
69.65314	0.6
69.65724	0.9
71.01381	9.7
72.99298	0.4
73.02950	2.1
78.98589	8.6
79.95733	16.7
80.96513	100.0
81.03452	1.2
82.52006	0.3
83.01350	0.3
85.02947	3.6
87.00869	3.4
94.58208	0.3
94.98081	20.4
95.01389	0.6
96.95983	1.6
97.02934	1.7
98.20730	0.4
99.00884	0.7
99.04497	0.4
101.02449	3.5
106.98087	4.5
113.02471	0.3
122.97582	4.8
125.02442	3.7
127.04002	1.1
129.83073	0.3
134.96532	0.4
134.97581	6.7
136.99121	1.8
141.01723	0.7
146.97589	0.6
148.99138	7.7
150.61565	0.3
152.98628	7.0
164.98618	14.8
167.00162	0.5
188.98671	0.4
195.81499	0.3
206.99648	2.9
225.00739	21.3
226.01086	0.5
255.23209	1.8
277.21552	1.3
283.04825	0.6
349.29462	0.3
363.76843	0.3
399.15411	0.3
537.27655	2.0
559.25946	2.2
688.34882	0.4
815.49774	85.1
816.50098	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	815.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
61.98824	2.3
71.01380	3.9
73.02945	0.7
78.95896	3.9
79.95734	0.8
80.02677	0.6
80.96506	6.2
81.03454	1.4
83.01390	0.7
83.05016	3.7
84.02126	0.6
85.02933	0.5
87.00894	0.7
89.02444	1.7
94.98089	1.8
96.96980	0.7
101.02438	2.5
113.02447	1.8
116.92863	0.8
125.02422	0.4
134.97568	0.6
145.05063	0.4
152.99608	0.6
161.04549	1.0
162.10451	0.5
163.11275	2.7
163.13162	0.5
164.98599	1.1
165.12810	1.6
171.10228	1.3
179.05574	0.7
181.12360	0.5
209.11809	100.0
210.12138	6.1
225.00772	1.3
227.12859	14.0
228.13141	0.5
230.88287	0.4
235.08209	3.6
241.01137	1.8
253.09248	9.2
254.09702	0.5
255.23239	1.6
277.21689	74.1
278.22058	7.7
328.32285	0.4
340.74921	0.4
374.84641	0.4
432.76410	0.5
445.20908	3.3
460.11926	0.4
463.21313	0.5
488.80582	0.6
513.30603	0.8
544.15405	0.4
725.38898	1.6
797.41608	2.4
815.50226	6.6
816.49731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
63.54182	0.4
63.89975	0.5
63.96241	2.4
68.33363	0.5
69.03436	0.6
69.86692	0.5
71.01008	1.0
71.01374	10.6
73.02945	2.3
78.95895	0.7
78.98585	8.6
79.95730	15.5
80.96511	100.0
81.03435	1.0
85.02959	3.2
87.00876	2.8
94.98081	20.0
96.96027	1.9
97.02944	2.4
99.00892	0.7
101.02452	3.1
105.89697	0.4
106.98093	4.0
122.97571	4.5
125.02448	3.4
127.03970	0.7
134.97575	5.9
136.99142	1.6
148.99141	8.8
152.98625	7.8
164.98615	13.1
196.89391	0.8
206.99669	3.0
225.00728	19.2
226.01007	0.6
245.60641	0.6
255.23260	1.8
261.41348	0.5
277.21683	1.0
283.04987	0.9
362.06567	0.5
475.54669	0.4
479.22467	0.6
518.43823	0.5
537.27289	1.6
559.25836	1.3
815.49792	85.7
816.50104	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	815.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
58.00584	2.3
59.01377	49.1
61.98826	12.0
64.60519	1.1
68.06880	1.1
71.01378	51.3
71.52293	1.3
72.01688	1.4
72.99302	3.7
73.02949	7.7
73.16010	1.1
75.00860	2.3
76.13529	1.1
79.95735	1.5
80.96513	8.3
83.01372	6.7
85.02942	17.4
87.00864	2.9
89.02436	28.4
94.98062	2.3
95.01376	3.1
96.96000	1.5
97.02934	2.5
99.00893	3.5
101.02438	41.6
108.77534	1.2
113.02440	13.6
115.00373	10.4
119.03465	5.9
125.02444	1.5
131.03441	1.8
133.01434	13.0
135.04503	4.3
137.02338	1.1
143.03426	1.9
159.03001	1.8
161.04556	9.6
164.98540	1.7
179.03467	4.4
179.05612	4.7
182.58641	1.2
209.11794	2.0
221.06792	1.6
225.00702	2.3
231.10130	1.2
253.09634	1.1
257.69553	1.2
275.09219	4.1
360.55969	1.1
421.53229	1.4
550.10083	1.4
593.36639	10.6
755.42206	100.0
756.42444	25.9
815.35712	3.2
815.49969	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	815.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45317	0.3
59.01368	1.2
60.99291	0.5
61.98833	1.8
71.01376	43.0
71.51320	0.5
72.01715	0.7
72.99298	0.9
73.02930	0.4
77.03925	0.3
80.96535	0.4
85.02948	0.7
86.84414	0.3
87.00855	0.6
88.18585	0.3
88.98791	2.3
89.02444	0.9
93.03462	0.6
95.05038	0.6
96.96018	0.5
97.06579	1.6
101.02473	0.6
105.01942	0.7
105.03445	2.7
109.02920	0.7
111.00870	0.7
115.00362	17.5
115.39970	0.4
117.03441	0.9
119.85936	0.3
121.02932	1.2
123.04526	1.1
133.01450	3.8
133.02948	15.8
134.03734	33.1
135.04559	7.0
137.02437	5.3
139.03973	2.1
145.02988	0.8
149.02428	0.6
149.99498	0.6
150.03175	0.7
161.02441	3.1
162.03214	11.5
163.03680	0.4
168.00610	0.5
177.01923	12.2
178.02693	27.1
179.03455	3.4
187.07605	0.9
191.05518	0.4
203.10689	0.4
209.11929	0.5
213.09198	0.5
231.10245	19.4
232.10565	1.2
275.09225	100.0
276.06598	0.3
276.09518	7.4
293.10602	0.5
307.11819	10.2
308.12082	1.1
391.10202	5.7
392.10690	0.6
423.12997	0.8
574.27606	0.3
746.36511	0.4
755.41742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99969	0.1
61.98827	100.0
64.30817	0.2
64.59295	0.1
70.59504	0.4
71.01395	0.3
73.02933	0.2
75.00882	0.5
79.95744	0.4
80.96497	1.0
84.00909	0.2
88.04050	0.2
88.98821	0.1
94.98094	0.3
117.01995	0.4
209.11804	0.2
225.00751	0.4
277.21906	0.2
301.94214	0.2
307.19147	0.2
529.92957	0.2
544.28656	0.2
639.61084	0.2
790.64575	0.2
815.50110	1.0
841.55280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
60.99307	0.5
61.98826	2.0
70.23332	0.3
71.01379	41.3
71.51909	0.3
71.52308	0.5
71.78690	0.3
72.01726	0.3
72.99304	1.1
74.04218	0.3
80.01321	0.3
80.96524	0.7
83.76814	0.3
85.02954	0.5
87.00873	0.7
88.98806	1.9
89.02445	0.8
93.03452	0.4
95.05020	0.9
96.99333	0.4
97.06583	1.4
101.02452	0.6
105.01897	0.6
105.03455	3.3
109.02930	0.5
111.63409	0.3
113.02418	0.6
115.00367	17.6
116.00726	0.7
117.03483	1.0
120.30731	0.4
121.02962	1.8
123.04523	0.5
123.44595	0.3
124.01598	0.4
133.01440	4.2
133.02948	13.7
134.03738	32.5
135.04567	7.5
136.04921	0.3
137.02437	4.0
139.03979	1.4
145.02977	0.9
149.02426	0.8
149.99606	0.5
150.03230	0.8
152.61649	0.4
159.04500	0.5
161.02415	2.3
162.03221	10.0
163.03574	0.4
168.00607	0.6
175.02504	0.5
177.01929	12.3
178.02707	25.1
179.03429	3.2
187.07613	1.1
191.05580	0.4
203.10774	0.8
209.11792	0.6
212.92609	0.3
213.09258	0.6
231.10243	19.9
232.10587	1.1
252.49503	0.3
257.08304	0.3
275.09235	100.0
276.06744	0.6
276.09561	7.9
307.11850	11.4
307.15405	0.6
308.11877	0.6
365.59152	0.3
381.01001	0.3
390.75684	0.3
391.10370	4.9
392.10620	0.7
423.12909	0.8
506.16180	0.4
558.84314	0.4
574.09033	0.3
755.42279	0.9
780.18890	0.4
815.34332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
62.98532	0.1
69.78001	0.4
69.78410	0.2
80.96505	0.2
83.65257	0.1
86.49349	0.1
92.59515	0.1
94.36584	0.1
104.39223	0.1
106.09887	0.1
113.62781	0.1
118.76030	0.1
127.69089	0.1
216.43109	0.1
217.75415	0.1
624.31689	0.1
717.89514	0.1
809.45532	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	811.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79263	0.4
57.03437	0.5
58.12102	0.5
59.01375	0.5
60.68992	0.4
60.94136	0.5
62.51161	0.4
63.96229	1.7
67.02701	0.4
69.03452	0.7
71.01376	10.3
73.02942	1.6
74.68003	0.4
78.95866	0.6
78.98577	7.6
79.78474	0.4
79.95728	15.3
80.63631	0.4
80.96510	94.3
81.03444	0.8
81.34068	0.4
81.95293	0.5
82.96093	1.6
83.01389	0.5
85.02934	3.0
87.00883	3.2
94.84731	0.5
94.98082	19.8
95.01373	0.7
96.95994	2.0
96.97637	0.5
97.02953	2.2
97.30410	0.4
101.02435	2.9
106.98089	3.3
113.02415	0.7
122.97559	4.5
125.02432	3.6
127.03998	1.5
134.97562	6.3
136.99126	1.9
146.97621	0.7
148.99118	8.5
152.98619	7.4
164.98616	14.5
167.00221	0.5
167.62930	0.5
167.89490	0.5
190.80414	0.5
201.11299	1.0
206.99683	3.3
225.00729	23.5
226.01025	1.6
227.00223	0.6
283.04938	0.7
283.26373	0.5
289.23114	0.5
373.78995	0.5
441.43954	0.5
483.15280	2.0
527.17896	1.2
565.30450	1.1
767.42358	3.8
768.43860	0.6
779.39166	1.5
780.39435	0.8
793.42926	1.0
811.45007	100.0
812.45410	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35128	0.1
59.01381	0.6
71.01368	1.2
71.51191	0.2
73.02943	0.3
79.95733	1.1
80.96511	0.8
83.01357	0.3
85.02937	0.6
95.01350	0.1
95.95224	0.2
96.96001	39.3
97.02961	0.2
101.02428	1.0
110.79549	0.1
113.02445	0.3
115.00332	0.3
117.28615	0.1
122.97534	0.3
133.01425	0.6
135.04498	0.4
138.97057	0.8
150.97107	0.7
156.31171	0.1
164.98642	0.2
167.93816	0.1
177.03336	0.2
179.03419	0.2
180.06670	0.4
180.98051	0.4
191.05527	0.4
198.99202	0.2
216.21434	0.2
241.00230	1.8
264.05267	0.2
282.62408	0.1
329.09061	100.0
330.09393	6.5
345.99493	0.1
352.13821	0.2
430.33047	0.1
434.06131	0.2
435.06418	0.2
692.03528	0.2
759.17975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
58.00605	0.2
58.33557	0.1
59.01376	100.0
60.01723	1.0
60.01977	0.2
61.98827	0.7
69.03444	0.2
70.07626	0.2
71.01376	12.1
72.01726	0.2
72.23835	0.2
72.99318	0.4
73.02940	3.0
77.63104	0.2
83.01391	1.5
85.02942	5.3
87.00886	0.5
89.02436	2.6
95.01384	0.8
96.95988	0.9
97.02969	0.4
99.00881	1.5
101.02436	6.5
113.02441	4.3
113.03156	0.3
115.00365	0.7
119.03524	0.7
125.02479	0.4
133.01413	1.1
133.02975	0.3
134.03812	0.2
135.04526	0.2
143.03525	0.5
159.03018	0.7
161.04550	4.8
161.05893	0.2
174.03055	0.2
178.02757	0.3
179.03676	0.2
203.05638	0.3
205.03493	0.2
209.11876	0.2
249.13258	0.2
262.97568	0.2
264.67914	0.2
275.09583	0.3
309.01648	0.2
315.18091	9.4
316.18466	0.8
323.82379	0.2
357.19135	4.1
357.23178	0.3
358.19794	0.2
392.52914	0.2
486.11200	0.2
548.72913	0.2
597.94342	0.2
640.05792	0.3
698.11914	0.2
771.29431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43459	0.1
61.98825	100.0
62.98529	0.2
69.69804	0.1
69.83116	0.2
69.83539	0.5
71.01382	0.3
78.95928	0.1
78.98598	0.2
79.95747	0.4
80.96513	1.8
82.17335	0.1
82.75174	0.1
85.02974	0.1
94.98074	0.6
98.20684	0.1
101.02401	0.1
103.25544	0.1
106.95053	0.1
122.66579	0.1
125.02406	0.1
134.97641	0.2
148.99203	0.2
152.98611	0.1
156.40994	0.1
164.83270	0.1
164.98553	0.2
206.99748	0.1
225.00772	0.4
277.21774	0.2
325.53751	0.1
361.22229	0.1
371.22632	0.1
440.43448	0.1
572.03680	0.1
804.39740	0.3
805.40253	2.0
810.01630	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
60.99311	0.1
61.98828	100.0
62.20892	0.1
62.98525	0.1
62.99256	0.1
64.12057	0.1
67.23846	0.1
71.01386	0.3
71.35207	0.1
71.35576	0.1
78.95935	0.2
80.96507	0.3
85.02981	0.1
88.98809	0.5
89.02496	0.1
94.98140	0.1
101.02445	0.2
133.01494	0.1
138.87341	0.1
142.30453	0.1
144.67934	0.1
171.10358	0.1
209.11723	0.1
277.21658	0.1
311.22458	0.2
335.60367	0.1
367.75571	0.1
406.88736	0.1
579.38300	0.1
741.43677	0.2
742.43945	0.8
802.49097	0.3
803.38605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98827	100.0
62.98523	0.1
66.67451	0.1
71.01382	0.3
75.00877	0.2
78.95917	0.1
80.96507	0.1
88.98811	0.1
101.02454	0.2
113.02465	0.1
149.22035	0.1
201.11330	0.3
209.11836	0.6
210.12137	0.1
225.09970	0.1
253.09227	0.2
262.49588	0.1
277.21793	0.3
278.22046	0.3
448.56216	0.1
579.38391	0.1
632.28979	0.1
741.43640	0.3
742.43536	0.6
802.49274	0.2
803.38342	0.2
831.95343	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	0.3
61.98827	100.0
62.98537	0.2
63.99245	0.2
69.14508	0.1
71.01376	0.4
80.96517	0.3
82.96171	0.1
88.00422	0.2
88.98810	1.4
89.02445	0.2
101.02443	0.2
113.02406	0.1
171.10147	0.1
209.11838	0.2
211.13454	0.1
225.51253	0.1
230.74283	0.1
350.75217	0.1
741.42950	0.2
742.43524	0.3
802.37537	0.2
803.39484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99329	0.1
61.98828	100.0
62.98526	0.2
80.96520	0.3
88.98813	0.8
98.20622	0.2
106.98473	0.1
116.92851	0.2
139.68704	0.1
209.11899	0.2
214.33214	0.1
272.29584	0.1
279.17236	0.1
613.46790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98826	13.1
63.96232	2.0
69.03457	1.4
69.43934	3.0
71.01379	28.0
72.01745	0.8
72.99282	1.1
73.02942	1.7
76.69838	0.5
78.98582	8.4
79.95734	14.4
80.96513	84.9
81.03455	0.9
83.01368	0.9
85.02969	3.6
87.00861	3.8
94.98079	18.0
95.01403	0.7
96.96005	1.5
97.02951	2.0
97.06627	0.6
99.00891	1.4
101.02448	3.2
101.39240	0.4
103.81160	0.5
106.98090	4.0
107.01329	0.6
109.02956	0.7
113.02443	0.7
115.00369	13.4
117.03484	3.9
121.02920	0.8
122.97590	4.5
124.01628	0.5
125.02469	4.6
127.03982	0.8
133.01425	18.4
133.02933	5.4
134.03752	12.8
134.97594	6.4
135.04538	12.7
136.04874	0.7
136.99135	2.1
137.02467	3.3
139.04042	0.8
145.02943	0.7
148.99129	6.1
149.02341	0.6
149.99500	1.1
150.03267	1.0
152.98653	6.0
159.04471	0.7
161.02444	1.5
162.03218	5.9
164.98610	13.5
165.98834	0.5
167.00159	0.6
168.00616	1.7
177.01938	4.5
178.02682	14.6
179.03535	5.8
206.99663	3.7
209.11789	5.6
210.12193	0.8
211.13289	0.6
225.00728	25.2
226.01012	1.3
231.10254	2.9
267.06638	0.6
275.09238	37.1
276.09549	3.3
293.10309	2.7
365.14047	0.6
391.10345	1.5
409.11569	0.9
509.16794	0.9
541.19678	4.4
551.18756	1.5
569.20056	2.4
769.32245	1.8
801.35785	100.0
802.35962	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.7
61.27557	0.9
61.98826	74.8
71.01382	5.6
71.35461	1.0
78.15756	1.3
78.95930	1.3
79.58588	1.1
80.96525	1.6
83.05005	1.7
88.98796	3.5
89.02443	2.8
101.02435	4.8
113.02425	2.1
119.03529	1.4
127.11271	3.4
141.00063	1.1
161.04514	2.4
163.11288	1.4
165.09131	1.3
165.12767	2.2
201.11302	44.3
202.11652	2.9
209.11810	92.6
210.12151	5.8
227.12880	14.2
235.08240	7.2
253.09280	13.2
277.21692	100.0
278.22095	10.1
384.28299	1.2
406.56061	1.2
419.19278	1.6
437.19946	3.4
445.20688	3.7
513.29913	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	800.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98701	0.1
59.01369	0.4
61.98825	100.0
62.98531	0.1
71.01372	0.8
71.52233	0.2
72.99310	0.1
85.02957	0.1
89.02437	0.1
95.84896	0.1
96.96033	0.2
100.42915	0.1
101.02431	0.2
115.00369	1.1
133.01422	1.9
133.02962	0.2
135.04514	0.4
137.02446	0.2
147.27182	0.1
156.47243	0.1
175.03973	0.1
178.02643	0.3
179.03532	0.3
191.05600	0.1
209.11887	0.3
210.12067	0.1
315.62274	0.1
524.20453	0.1
569.20062	0.2
625.53711	0.1
725.93018	0.1
727.06659	0.1
741.45227	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98828	100.0
69.47267	0.7
70.62799	0.1
71.01385	0.4
72.77155	0.1
78.95886	0.2
80.29633	0.1
80.96526	0.4
83.60327	0.1
85.02973	0.1
88.98818	0.3
101.02453	0.5
133.01457	0.2
138.33589	0.1
171.10280	0.1
192.82663	0.1
209.11792	0.3
345.10016	0.1
557.62964	0.1
663.96814	0.1
740.42444	0.9
800.46552	0.2
801.38013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
58.00597	1.1
59.01376	21.9
61.98829	39.3
62.07668	0.7
71.01378	49.3
72.01715	1.1
72.99302	2.4
73.02563	1.0
73.02943	14.9
80.96516	1.6
83.01389	7.7
84.95119	0.8
85.02946	22.7
87.00874	1.7
89.02449	8.3
95.01367	3.2
97.02931	1.4
99.00886	5.3
101.02436	37.5
111.00838	1.3
113.02448	16.4
115.00384	1.0
119.03489	3.1
125.02416	1.8
129.01901	1.4
143.03479	2.0
159.03004	3.5
161.04550	15.5
166.03949	0.7
176.72878	1.0
179.05583	1.6
209.11800	4.8
211.13380	1.0
247.36082	0.7
277.51413	0.8
293.21149	1.9
381.36359	0.8
458.01453	0.8
524.35596	0.7
534.15686	0.7
577.37274	8.9
578.37793	2.0
647.17291	0.9
739.42706	100.0
740.43011	25.4
740.55798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
58.00583	0.7
59.01377	18.3
61.98824	7.4
69.03435	1.4
69.18176	0.4
69.18470	4.6
71.01378	34.5
72.01716	0.6
72.99303	1.4
73.02560	0.8
73.02945	10.6
75.00865	0.8
80.96513	2.0
83.01383	8.0
83.62697	0.5
85.02943	14.7
86.00096	1.4
87.00863	2.9
89.01934	0.8
89.02439	8.1
95.01374	3.2
97.02955	2.3
98.20812	0.8
99.00875	4.3
101.02435	37.1
102.02748	0.6
103.00352	1.5
111.00861	0.8
113.02447	15.5
113.03259	0.8
116.92847	0.8
119.03489	1.7
125.02439	1.4
131.03461	1.1
143.03445	2.3
152.60210	0.4
159.02940	1.7
161.04546	11.9
171.10275	1.3
179.05574	1.7
205.03554	0.4
209.11781	0.8
211.13446	0.5
213.80717	0.5
225.11288	1.4
277.21542	2.5
293.21188	0.7
577.37476	16.5
578.37653	2.0
630.25018	0.6
739.42694	100.0
740.42963	24.0
799.41132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.5
59.01371	18.1
61.98821	4.5
68.97903	0.5
69.03439	1.0
69.71628	1.4
69.72041	2.0
71.01373	29.7
72.99285	1.6
73.02939	8.5
73.11608	0.5
81.20964	0.7
83.01376	7.0
85.02941	14.4
86.00093	2.4
87.00861	2.7
88.18362	0.7
89.02441	5.3
93.77222	0.6
95.01384	2.3
97.02936	2.1
99.00858	3.2
101.02434	30.7
101.60288	0.5
102.02805	0.7
113.02440	12.5
119.03526	1.2
125.02477	1.1
128.45171	0.6
139.04654	0.6
143.03461	2.9
148.49696	0.5
159.02997	0.6
161.03276	0.7
161.04552	9.9
164.21454	0.7
179.05524	0.6
229.64706	0.5
277.21719	1.2
442.50110	0.7
451.04636	0.6
464.89096	0.6
507.27493	0.7
577.37311	15.9
578.37762	4.0
739.42639	100.0
740.42950	25.5
799.39862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
58.00581	1.4
59.01374	21.8
61.98825	11.1
71.01378	42.7
71.17599	1.4
72.99300	1.3
73.02940	13.6
75.00862	1.5
81.03481	0.9
83.01372	7.1
84.02132	0.7
85.02947	19.1
86.03246	0.9
87.00871	3.1
88.98786	2.4
89.02440	8.0
95.01371	2.6
96.95989	0.7
97.02916	1.3
99.00867	5.9
101.02437	31.7
102.05606	1.7
108.80438	0.6
111.00867	0.8
113.02447	15.4
115.00334	1.1
116.92830	1.3
119.03486	3.3
121.91279	0.6
125.02398	2.7
128.14577	0.7
129.02008	0.8
133.01421	1.2
143.03445	2.3
159.02956	3.0
161.03278	1.1
161.04536	16.1
179.05586	2.5
181.08662	1.3
209.11749	3.2
227.12779	1.1
256.30402	0.7
258.17642	0.8
263.07721	0.8
277.21588	2.0
278.21780	0.8
293.21347	1.6
311.22198	1.7
323.09537	0.7
331.69620	0.7
449.23523	0.7
525.26575	0.9
577.37366	7.8
718.16388	0.7
739.42664	100.0
740.43079	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	798.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.4
59.70645	1.8
61.98825	25.2
65.38184	1.5
69.27622	6.4
69.28050	7.2
70.02935	2.4
71.01375	19.1
71.02485	5.2
72.00899	6.7
81.02177	2.6
82.02966	2.2
84.64567	1.4
85.16971	1.6
88.98789	3.0
89.02431	3.0
90.67049	1.7
93.03426	6.5
96.00911	8.8
96.95975	3.2
98.02452	3.7
101.02435	2.6
105.03422	2.3
107.04996	3.7
109.02924	3.0
110.02530	2.1
110.74619	1.8
113.07213	12.1
115.00370	23.7
116.05037	5.9
117.03409	1.9
119.05013	16.1
124.01661	2.8
127.08712	5.3
133.00481	2.9
133.01428	40.6
133.02931	6.1
133.05330	2.6
134.03738	4.0
134.06110	27.1
135.04539	10.8
137.02409	3.6
140.05072	2.2
146.06104	31.8
149.99547	6.2
153.06686	9.9
161.02437	1.9
163.03961	5.0
167.08292	1.8
168.00626	10.3
171.10194	1.9
177.01898	3.1
178.02646	3.6
179.03476	7.5
180.06645	12.2
187.07576	2.7
189.06688	3.7
191.05536	4.1
191.08170	3.8
200.07108	8.0
202.05031	7.1
205.08636	2.5
205.31673	1.9
209.11766	5.3
224.13960	4.0
243.11336	7.5
264.10431	2.5
265.05365	1.9
266.11826	48.6
267.06503	2.7
267.12155	5.2
268.07217	2.0
275.09167	2.6
281.12714	2.6
283.14575	6.1
314.14874	1.6
367.12686	2.0
377.18716	3.8
391.75797	1.8
459.74481	1.9
479.20807	4.2
491.26428	3.7
505.18307	3.9
523.19751	3.2
535.25696	8.6
549.17316	3.9
567.18683	5.0
682.32159	3.8
738.31500	4.7
762.31342	24.3
763.30786	8.7
780.32153	7.0
798.33447	100.0
799.33649	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01397	1.2
61.98830	1.5
70.28381	0.8
71.01409	0.5
71.05025	0.6
82.95438	0.3
83.05050	0.4
87.00889	0.3
96.96028	1.2
97.02996	0.3
97.06633	0.5
99.08144	0.5
101.39833	0.3
102.05627	1.2
103.97034	0.3
113.09731	2.2
121.10214	0.4
125.09765	1.0
137.09691	0.3
139.11285	7.1
139.12331	0.4
155.10779	0.4
163.11252	1.3
163.94075	0.3
165.12878	0.7
167.10823	0.9
167.14397	0.7
168.11594	0.7
171.10254	10.7
171.11707	0.5
172.10622	0.6
179.10828	0.6
179.14418	0.3
181.08661	1.2
181.12373	0.7
182.13007	0.4
185.11884	0.4
193.12321	0.7
195.13889	0.5
209.11763	1.3
211.13380	1.5
247.20639	0.3
249.18605	1.0
249.22252	1.7
253.09346	0.3
265.21725	0.4
275.20062	0.6
277.21625	1.7
291.19681	1.7
292.20007	1.2
293.21201	35.6
294.21478	3.1
309.20682	4.7
310.21042	4.4
311.22235	100.0
312.22598	9.4
582.70599	0.3
645.53986	0.3
797.41797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
58.00580	2.1
59.01376	40.5
61.98825	8.3
63.51704	0.7
69.71429	4.1
71.01376	41.9
72.98927	0.6
72.99285	3.9
73.02940	7.6
75.00836	0.7
78.95904	0.8
79.28908	0.6
80.90297	0.6
80.91673	1.3
82.95432	4.0
83.01382	5.6
84.95104	0.7
85.02945	11.5
87.00858	2.8
88.98808	0.8
89.02443	28.3
95.01393	3.5
97.02956	1.6
98.20638	1.3
99.00855	3.2
101.02436	36.9
102.02779	0.8
113.02443	15.5
119.03501	5.9
125.02409	1.3
131.03482	1.3
143.03491	2.0
159.03018	1.3
161.04552	10.0
179.05641	3.6
201.77312	0.7
211.13335	2.1
277.21591	1.0
289.17874	0.8
319.89804	0.8
575.35748	8.4
576.35950	1.6
587.99799	0.7
737.41107	100.0
738.41364	23.2
782.83868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.38168	0.4
61.98824	4.8
63.96225	2.3
64.07178	0.5
66.04927	0.4
69.03468	1.1
71.01376	9.1
73.02948	2.1
78.98583	7.7
79.95732	17.9
80.96511	93.4
81.03445	0.7
83.01389	0.7
85.02956	3.2
87.00880	3.7
87.04552	0.5
94.98083	20.8
95.01396	0.5
96.96016	1.3
97.02939	1.4
99.00855	0.9
99.04459	0.5
101.02441	2.8
106.98087	4.3
122.97569	4.3
125.02457	3.6
127.03995	1.2
134.97580	7.3
136.99126	1.8
146.97557	0.6
148.99152	7.4
152.98618	7.4
160.99194	0.5
164.98621	14.9
167.00128	0.5
188.98590	0.6
206.99663	2.9
209.11806	2.0
225.00726	22.9
226.00983	1.0
255.23271	1.1
335.56342	0.6
509.16800	0.7
524.55847	0.5
537.27222	1.5
541.19550	2.6
765.40924	0.7
779.38550	0.9
797.43506	100.0
798.43793	21.7
822.29932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59544	1.2
57.03431	1.6
59.01375	40.0
61.98826	16.5
71.01379	48.8
72.99284	3.7
73.02939	11.5
83.01381	5.4
85.02948	18.8
87.00854	3.0
87.42564	1.3
89.02438	33.0
95.01365	2.6
97.02959	2.1
98.20789	2.1
99.00858	2.8
99.10461	1.4
101.01804	2.6
101.02435	37.5
113.02445	18.5
116.92827	2.4
118.92665	2.0
119.03481	12.6
119.44038	1.4
119.94671	3.2
120.03805	1.4
122.02480	2.6
125.02424	2.0
131.03450	3.3
133.01387	2.9
133.47949	1.5
143.03491	3.3
143.23137	1.5
143.42432	1.6
161.04556	16.1
177.14522	1.4
179.05595	22.7
203.20444	1.5
209.11775	3.4
221.06676	6.0
230.02098	2.0
291.19528	4.4
294.11984	1.5
309.20877	1.5
379.89236	1.4
483.44141	1.6
575.35577	3.1
670.96814	1.4
737.41095	100.0
738.41461	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	795.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98825	1.6
66.66444	0.3
69.53387	1.9
71.01379	1.1
94.21401	0.3
96.96014	0.7
97.06570	0.8
98.12880	0.3
98.19968	0.3
113.09742	1.9
115.00358	0.3
115.07655	0.9
119.08654	0.4
124.09988	0.3
125.06046	0.8
126.47518	0.3
137.09679	1.3
139.11241	0.6
141.09204	1.0
143.30840	0.3
151.11346	0.8
154.09956	0.4
155.23109	0.2
163.11244	0.3
165.12856	2.4
166.13148	0.4
167.10789	0.4
167.14400	1.0
171.10277	4.7
172.10681	0.3
181.12376	2.9
183.13928	0.6
193.12338	1.3
193.15952	0.4
195.13875	1.2
209.11768	1.0
211.13348	2.9
213.14908	0.4
221.15469	1.9
229.14540	0.4
239.12961	0.5
240.13651	1.7
247.20705	2.7
248.21066	0.4
253.09215	0.3
263.20087	0.7
265.21628	0.4
273.18637	2.0
281.21213	1.2
291.19647	24.3
292.20026	2.1
307.19226	0.5
308.19592	0.5
309.20691	100.0
310.21063	11.0
310.24579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
58.00578	2.1
59.01376	36.7
61.98823	4.0
71.01376	39.2
72.99307	3.7
73.02946	9.5
75.00864	1.1
78.95904	1.1
83.01373	6.1
85.02951	12.6
87.00890	2.6
89.01939	1.9
89.02446	24.1
95.01395	3.7
97.02959	1.1
98.20674	2.6
99.00886	2.8
101.02433	37.9
113.02438	14.3
119.03500	6.4
125.02459	1.2
131.03510	1.4
133.01392	1.1
143.03488	3.0
159.03047	2.1
161.04547	10.8
179.05598	4.7
192.04755	0.9
297.02551	1.1
301.07864	1.1
338.64194	0.9
353.46661	1.1
575.35840	8.9
737.41095	100.0
738.41406	25.2
770.14221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02276	0.5
59.01360	1.1
60.82599	0.4
61.98826	1.2
66.03466	0.5
67.03010	0.9
71.01378	4.1
71.02500	3.3
71.51592	0.7
72.00890	1.3
82.02970	1.9
85.04068	0.8
91.05525	0.6
93.03449	3.3
96.96017	0.7
99.02023	0.5
101.02428	0.6
106.04228	1.3
107.02488	1.0
107.05026	3.6
109.04074	4.7
110.06133	2.6
111.02019	1.1
113.07213	7.1
115.00346	1.9
116.05048	2.2
117.03432	0.6
118.06643	2.7
119.05027	12.1
121.02890	0.5
124.03989	0.9
127.05134	16.9
127.08753	2.1
128.03522	0.6
131.04962	0.4
133.01457	2.9
133.02969	0.6
133.05321	2.1
134.03757	1.3
134.06122	21.1
135.04482	2.2
135.06406	0.8
136.07692	0.5
146.06119	21.7
147.06429	1.2
149.66638	0.5
150.67960	0.5
153.06670	3.9
155.08307	0.7
158.06108	1.1
162.03215	0.6
162.05573	0.7
163.03993	3.9
163.08688	0.5
165.05402	0.6
166.03792	1.8
170.06038	0.6
170.09763	2.4
173.07196	0.5
174.05573	4.5
178.02707	0.7
178.06096	0.6
179.03348	0.9
179.04752	1.0
180.06659	4.5
189.06738	2.3
191.08246	3.5
200.10811	0.7
201.11298	0.6
206.12999	0.9
207.11456	0.5
209.11623	1.1
213.10298	0.6
214.08751	5.8
218.07007	0.6
221.09421	0.6
224.14008	3.7
243.11295	1.5
256.10724	0.8
257.09283	7.5
258.09625	0.8
262.10587	0.6
263.09396	1.3
264.10120	1.2
266.11850	44.5
267.12155	4.3
274.11966	0.6
275.09250	2.7
283.14523	3.4
292.09647	0.5
364.83655	0.5
371.17130	3.1
377.18665	4.3
394.21063	0.5
421.17636	2.3
491.26715	3.1
492.26697	1.1
535.25555	9.3
536.25684	1.2
749.36804	0.6
793.35596	100.0
794.35876	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75756	0.2
59.01368	0.2
59.19891	0.1
61.90658	0.1
61.98827	14.6
70.65414	0.2
70.65746	0.3
71.01396	0.3
73.02941	6.2
75.00893	0.2
77.90376	0.1
78.95874	0.2
80.96508	0.2
99.00885	1.1
99.92579	11.2
100.92590	0.4
111.74522	0.2
114.93409	0.4
115.00410	0.2
116.92855	100.0
116.97211	1.4
117.01937	10.6
117.92867	5.7
133.01451	0.2
135.78645	0.2
184.25046	0.2
229.88083	0.1
232.42070	0.1
293.21231	0.2
335.17566	0.2
437.07880	0.2
545.51471	0.2
777.79657	0.2
793.51563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98826	1.6
71.01382	0.1
73.02944	4.2
75.00866	0.4
78.95901	0.1
80.96494	0.1
89.02415	0.1
98.20655	0.4
99.00866	0.5
99.92580	11.3
100.92613	0.6
104.15864	0.1
111.57934	0.1
114.93433	0.5
116.03612	0.1
116.61218	0.1
116.92858	100.0
116.97194	0.8
117.01933	7.0
117.92867	5.2
118.02272	0.1
177.08064	0.1
229.95930	0.1
293.21378	0.1
410.32657	0.1
642.18042	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	792.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98137	0.1
61.98826	100.0
62.98530	0.2
63.99258	0.3
64.89774	0.1
70.98917	0.1
70.99240	0.1
84.53380	0.1
91.22330	0.1
96.58044	0.1
114.23211	0.1
121.17860	0.1
131.39810	0.1
166.78394	0.1
171.10219	0.1
225.31039	0.1
249.18619	0.1
257.54510	0.1
370.14954	0.1
431.25711	0.1
460.81238	0.1
673.05048	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	793.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98813	1.0
67.52669	0.3
69.46386	1.4
69.46787	0.5
71.01377	32.6
71.66661	0.3
72.01711	0.6
73.02955	0.3
78.19141	0.3
96.95963	0.5
97.06580	1.5
98.19951	0.7
104.06110	0.3
108.03239	0.3
115.00372	13.9
116.00702	0.5
119.05020	0.3
133.01418	1.6
133.02960	1.3
134.03728	33.5
135.04614	1.5
137.02425	0.5
145.02946	2.1
149.02403	1.5
161.02419	7.7
162.03214	35.3
163.03557	1.6
166.03090	0.3
176.52151	0.3
177.01952	0.7
178.02681	1.0
179.03484	0.7
201.11349	0.4
209.11775	0.6
231.10240	1.1
275.09229	100.0
276.09558	7.5
327.22110	0.3
367.34686	0.3
391.10400	3.9
643.32587	0.3
649.39886	0.4
729.89709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46928	1.1
58.54620	1.1
61.09947	1.1
61.98816	2.9
69.57488	7.1
69.96726	1.2
71.01395	2.5
78.86528	1.4
78.95899	49.8
79.78398	1.3
79.95737	3.1
80.96507	12.2
83.05017	2.5
84.30718	1.1
94.98071	3.5
96.96956	3.2
97.06622	1.3
100.05717	1.2
129.09225	4.3
134.97517	2.1
141.09216	3.0
148.98990	1.4
152.99577	58.6
154.43031	1.6
155.10777	5.3
155.25708	1.3
164.98601	2.1
165.12816	2.2
167.12181	1.3
171.00644	9.2
171.10239	9.2
185.11815	20.3
197.11819	21.6
198.12062	1.7
209.11798	10.4
211.13509	2.2
225.00717	4.4
227.03305	4.2
245.04179	2.0
247.20729	1.5
253.21719	11.9
255.23282	5.8
269.21295	1.5
291.19656	5.8
307.94748	1.3
309.20651	7.6
325.20190	2.1
327.21664	13.3
328.22018	1.6
463.21069	4.6
537.24786	5.3
554.24121	1.9
555.25726	44.6
556.26343	4.7
592.65955	1.4
791.47101	100.0
792.47540	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	792.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42381	0.1
57.39242	0.1
60.89399	0.1
61.98827	100.0
62.98549	0.2
63.99246	0.3
65.76367	0.1
71.07925	0.1
91.55520	0.2
119.79860	0.1
126.29081	0.1
181.37445	0.1
241.01552	0.1
352.19583	0.1
446.77884	0.1
595.54352	0.1
786.71722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56605	7.7
57.41425	7.2
59.86926	6.9
61.98822	100.0
69.97666	29.4
71.63492	6.7
73.53158	7.4
78.95903	15.5
79.15292	7.5
80.96537	9.9
84.25345	9.7
91.91306	7.0
110.13136	6.9
110.48891	7.1
114.25526	7.3
131.16484	8.0
152.99568	14.5
209.11853	60.3
227.12895	11.1
235.08167	10.1
277.21802	51.2
277.24341	8.3
306.16827	7.6
479.31854	9.8
646.99536	9.1
791.43439	27.8
792.43726	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	790.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12513	0.1
61.98827	100.0
67.22625	0.1
67.47061	0.1
69.54215	0.1
71.48894	0.1
71.51417	0.1
78.95905	0.3
88.58190	0.1
97.84525	0.1
118.93169	0.1
125.44457	0.1
152.99480	0.1
171.14090	0.1
203.03500	0.1
209.11867	0.2
210.12251	0.1
250.18875	0.1
312.00607	0.1
791.48578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01382	6.8
62.62659	0.7
70.01001	1.4
70.01395	1.3
71.01382	12.7
72.99306	2.1
73.02953	1.2
82.29944	0.8
83.01399	1.2
85.02934	4.7
89.02452	2.2
95.01385	2.0
96.96013	2.5
99.00881	1.6
100.54857	0.8
101.02445	3.6
108.02169	58.8
109.03005	10.4
113.02454	3.3
115.00364	3.4
121.03042	0.7
123.04520	1.0
125.02523	1.0
133.01431	5.7
135.04555	1.9
145.02902	0.8
150.03262	0.9
151.00383	1.7
151.04007	1.0
152.01144	100.0
153.01942	9.9
161.04565	0.9
162.03191	1.2
163.03992	4.6
165.05484	1.7
166.02686	2.5
168.00624	0.9
177.01912	2.3
177.05571	1.1
179.03482	2.3
181.05075	2.7
191.05518	0.8
199.13387	5.2
200.11501	0.8
203.03493	0.8
204.26082	0.8
207.02943	1.2
218.05869	1.3
236.06807	1.0
251.09268	0.8
283.13281	2.1
287.48914	0.8
315.07089	1.6
352.47830	0.7
361.18637	11.4
429.10266	7.0
432.13947	1.1
433.14813	1.3
447.11447	5.2
459.88757	0.9
625.62054	0.8
629.22272	2.2
657.27325	2.5
726.12115	0.8
791.29669	90.0
792.30060	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	787.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
61.73038	0.3
61.98829	12.5
70.76836	0.3
71.01369	2.3
72.99283	0.4
78.95914	0.7
80.02682	1.2
80.96535	0.9
81.03464	1.2
83.01369	0.5
83.05025	4.1
84.02167	0.6
85.02946	0.4
88.98837	0.7
89.02437	2.0
91.09395	0.3
95.05025	0.3
98.20667	0.8
101.02454	1.8
103.62959	0.3
104.41291	0.3
113.02434	1.1
119.03528	0.3
125.06142	0.4
129.82127	0.3
133.01511	0.3
135.08156	0.3
143.03587	0.4
147.11710	0.4
161.04552	0.9
163.11298	2.4
165.12852	1.6
179.05623	0.5
181.12379	0.3
190.30589	0.3
191.10797	0.6
205.19704	0.4
209.11818	100.0
210.12169	5.5
227.12881	11.3
227.15157	0.5
228.13206	0.6
229.51736	0.4
235.08109	1.5
235.42238	0.3
249.18571	45.6
250.18919	3.7
253.09283	6.4
271.33084	0.4
438.84451	0.4
445.20813	3.2
485.27454	0.4
677.39331	0.4
787.40063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79130	0.1
60.90839	0.1
60.94082	0.1
61.98827	100.0
62.98523	0.2
65.83377	0.1
70.80847	0.2
71.01381	0.1
78.95906	0.2
80.96513	0.2
83.54803	0.1
92.90936	0.1
112.73940	0.1
134.42963	0.1
181.08801	0.1
182.09062	0.2
201.11340	0.1
245.42438	0.1
277.21695	0.2
278.22128	0.3
279.22803	0.1
300.91705	0.1
429.64435	0.1
527.92395	0.1
772.94745	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	790.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98549	0.2
64.27132	0.1
69.45067	0.4
69.45492	0.5
71.01393	0.2
75.54230	0.1
78.95924	0.4
80.96527	0.2
85.85417	0.1
94.11606	0.1
98.19891	0.1
116.35924	0.1
140.57413	0.1
174.56667	0.1
209.11934	0.3
241.77858	0.1
293.21268	0.1
331.67236	0.1
815.61945	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38308	0.3
57.03682	0.3
59.01378	11.2
61.98831	7.5
71.01386	3.4
73.02944	0.6
78.95892	0.8
78.98571	0.6
79.79011	0.3
79.95741	1.0
80.02666	0.4
80.96508	4.8
81.03472	0.9
83.01389	1.8
83.05021	12.0
84.02160	0.6
84.05389	0.4
85.02950	0.8
87.00864	0.8
88.98830	0.4
89.02473	1.8
94.98107	0.8
96.95996	0.4
97.02918	0.4
97.06567	0.5
98.20766	0.7
101.02438	4.0
104.59558	0.3
109.06582	1.3
113.02454	2.0
119.03442	0.6
122.70404	0.4
133.26199	0.4
134.97562	0.4
135.08167	3.9
137.09698	1.3
152.98618	0.5
161.04535	1.4
163.07605	1.1
164.98682	0.7
181.08693	67.6
182.09042	3.0
187.72279	0.4
199.09755	5.1
225.00716	1.4
228.99365	0.4
235.08206	5.8
236.08641	0.5
253.09283	10.3
277.21701	100.0
278.22043	10.2
417.17670	0.7
419.33411	0.4
513.30841	2.2
787.39246	4.8
788.39807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98826	100.0
62.98524	0.2
70.23777	0.3
70.24159	0.3
71.01379	0.4
74.14491	0.1
78.95907	0.3
78.98601	0.2
79.95728	0.4
80.96511	2.1
88.98824	0.3
94.98116	0.3
126.58572	0.1
130.91409	0.1
148.99152	0.1
164.98663	0.3
209.11884	0.1
210.12276	0.1
225.00850	0.4
277.21790	0.3
291.52121	0.1
293.21158	0.1
295.22882	0.5
311.22308	0.2
370.43585	0.1
520.87799	0.1
786.41882	0.5
787.39117	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	787.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03436	1.7
58.00587	0.5
59.01378	13.2
60.01696	0.2
60.47866	0.2
69.61327	1.0
71.01376	13.9
72.99313	1.0
73.02942	3.7
75.00850	0.2
83.01385	2.2
85.02943	5.5
87.00868	0.8
89.02437	6.5
95.01379	1.3
96.95998	0.5
97.02936	0.2
99.00882	1.7
101.02436	13.1
102.02726	0.2
108.17738	0.2
111.00870	0.4
113.02441	5.9
115.00351	0.5
119.03485	2.9
123.08165	1.9
125.02401	0.3
133.01416	0.6
135.04497	0.3
143.03490	0.2
149.04535	0.2
151.11293	0.2
152.01146	0.2
159.02972	0.5
161.04565	0.8
161.09616	0.3
177.11284	0.2
177.12828	3.7
179.05580	0.3
179.10742	0.2
191.05643	0.3
195.13879	1.5
207.80931	0.2
221.11787	3.3
222.12119	0.2
239.12906	0.2
304.64929	0.2
341.08832	0.3
401.18109	100.0
402.18457	11.1
402.23871	0.3
583.23901	0.2
784.38281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01369	6.8
60.64956	0.8
61.98826	63.9
69.03456	0.9
71.01377	8.6
71.52018	1.4
72.99303	0.9
73.02947	1.0
73.25483	0.8
74.71235	0.7
74.78527	0.8
75.00848	0.9
80.02683	1.1
80.96518	1.3
81.03449	2.3
83.05018	5.2
85.02978	1.4
87.00912	1.3
88.81210	0.9
89.02441	2.8
95.05019	1.2
97.02940	1.8
97.06520	0.8
99.00889	1.1
100.79482	0.8
101.02437	3.9
109.06585	1.0
111.08136	2.9
113.02439	1.7
115.00377	2.4
119.17183	0.7
125.09651	1.0
133.01434	3.3
133.02943	2.9
135.08119	0.9
137.09767	0.9
143.03577	0.8
159.67723	0.9
161.04514	1.9
163.11288	3.6
165.12825	3.7
169.12328	1.6
171.10286	3.5
177.01901	3.4
178.02676	1.1
179.03516	1.1
181.08800	1.2
181.12323	2.2
197.11792	15.0
199.13290	1.0
207.10254	1.3
209.11809	100.0
210.12164	6.9
211.13344	3.1
227.12856	14.5
228.13156	1.1
235.08266	2.8
249.14845	1.0
253.09268	13.0
254.09772	1.0
263.20111	1.2
278.49585	0.8
289.18250	1.6
291.19638	17.0
292.19995	2.1
307.19186	0.9
309.20688	42.4
310.21048	4.1
445.20874	1.7
545.29669	1.9
615.80969	0.9
636.20746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98830	0.9
68.45016	0.4
71.01375	15.7
72.99294	3.1
75.86269	0.4
78.95903	0.8
81.81515	0.3
85.02954	0.8
87.00875	1.6
89.02445	2.0
93.79210	0.3
96.96004	1.2
96.96981	0.4
101.02428	0.4
109.02959	0.9
115.00362	42.0
116.00712	0.7
127.16982	0.4
133.01418	100.0
134.01740	2.4
134.03754	1.2
135.04561	0.9
141.67006	0.4
146.03763	0.3
158.03696	1.2
159.04492	2.0
161.02328	0.4
172.04033	0.3
172.05260	2.1
173.06052	2.3
174.06807	0.6
175.07616	0.6
177.98064	0.3
179.03532	0.6
183.10194	0.4
187.04001	1.5
187.07628	25.3
188.08017	2.1
191.05620	0.7
201.05569	2.6
202.06331	7.2
203.10710	1.0
204.04173	0.5
211.07635	0.4
213.09180	4.7
214.09590	0.4
215.07140	3.8
216.07784	0.4
231.10242	22.3
232.10590	1.5
243.12268	1.8
257.08133	1.5
275.09225	48.0
276.09583	4.2
293.10156	2.3
391.10312	4.8
392.11047	0.5
400.03946	0.3
406.39163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00667	0.6
59.01382	3.6
61.98822	6.6
63.96243	1.7
65.40656	0.7
69.03452	1.0
71.01379	7.8
71.19184	0.7
73.02944	1.6
78.95924	1.0
78.98584	5.1
79.95728	10.9
80.02687	0.9
80.96513	63.1
81.03465	1.9
82.96095	0.9
83.04591	0.7
83.05016	3.8
83.27073	0.6
85.02946	3.0
87.00858	4.2
89.02446	1.5
90.97437	0.7
94.98081	12.4
96.66256	0.7
96.96007	1.3
97.02956	1.1
98.19943	1.5
101.02446	4.0
106.98108	2.3
113.02447	1.8
115.20686	0.8
122.97586	3.7
125.02416	2.1
125.06154	0.8
127.04057	0.9
131.75363	0.7
134.97574	4.8
148.99097	5.6
152.98584	5.9
161.04532	1.5
163.11317	3.2
164.98616	10.6
165.12796	2.3
173.46834	0.7
191.10727	1.1
201.11304	1.3
201.15433	0.7
202.06447	0.7
206.99680	2.8
209.11810	100.0
210.12160	6.3
225.00714	20.5
225.02982	0.7
226.01007	1.2
227.12866	17.5
235.08208	2.4
253.09232	7.5
255.23366	1.4
277.21695	52.6
278.22028	4.8
283.04880	0.7
293.21115	1.5
445.20786	2.9
457.92786	0.7
483.15344	0.9
513.30396	0.8
537.27533	2.1
739.39325	4.9
740.39484	0.9
765.38519	1.0
783.41931	87.1
784.42322	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	786.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98826	100.0
62.98524	0.2
70.23777	0.3
70.24159	0.3
71.01379	0.4
74.14491	0.1
78.95907	0.3
78.98601	0.2
79.95728	0.4
80.96511	2.1
88.98824	0.3
94.98116	0.3
126.58572	0.1
130.91409	0.1
148.99152	0.1
164.98663	0.3
209.11884	0.1
210.12276	0.1
225.00850	0.4
277.21790	0.3
291.52121	0.1
293.21158	0.1
295.22882	0.5
311.22308	0.2
370.43585	0.1
520.87799	0.1
786.41882	0.5
787.39117	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	783.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03448	1.3
58.00593	1.1
59.01376	100.0
61.98827	22.2
70.70255	1.4
71.01377	45.0
72.01741	0.8
72.99308	2.9
73.02958	3.3
75.00872	2.5
78.95908	0.8
83.01386	2.5
85.02938	6.6
87.00866	1.5
88.98802	0.9
89.02438	19.0
89.03975	0.7
93.03477	0.9
95.01386	1.7
96.96014	1.0
97.02927	0.7
97.06590	2.7
101.02438	13.3
101.03106	0.8
105.03472	2.7
108.02127	0.8
109.02934	2.0
113.02439	11.1
115.00363	20.3
119.03498	8.5
119.04941	0.7
121.02930	1.4
124.01656	1.0
125.02429	0.7
131.03513	1.1
133.01427	22.6
133.02951	20.2
134.03737	52.9
135.03091	0.9
135.04472	3.6
136.04793	0.6
137.02448	6.1
139.03996	2.0
141.55611	0.6
143.03505	2.0
145.01407	0.6
147.04422	0.7
149.04541	0.8
159.04535	1.1
161.02451	1.4
161.04547	3.6
161.05984	1.3
162.01915	0.6
162.03233	0.8
168.00629	0.6
171.10213	1.1
175.04051	0.9
176.01070	0.6
177.01921	16.6
178.02698	26.8
179.03369	3.1
179.05632	3.7
179.07045	0.7
209.11880	2.8
213.09377	0.7
215.07048	0.9
231.10254	5.0
232.10616	0.7
250.09967	0.6
267.06720	0.9
275.09232	88.7
276.09601	6.7
294.03775	2.6
365.14008	1.3
372.12857	0.7
391.10431	3.2
507.19690	0.7
551.19092	6.1
552.18372	0.8
723.43030	14.3
724.43762	1.6
741.44366	9.0
783.32526	1.5
783.45166	2.2
811.78650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.98829	7.3
69.24434	0.6
69.24829	3.6
71.01377	30.9
72.99287	0.6
73.09112	0.4
77.03952	0.6
77.99615	0.4
80.96501	1.5
81.58742	0.4
87.00861	0.4
88.98788	0.7
89.03924	0.5
95.04992	1.2
96.96011	0.5
97.06571	1.1
98.20695	0.7
105.03439	3.1
115.00367	17.0
116.00648	0.5
117.03459	1.3
121.02969	0.6
128.03598	0.5
133.01434	8.7
133.02948	11.7
134.03729	22.9
135.04538	8.1
136.04842	0.5
137.02414	1.6
139.03960	1.0
145.02950	0.9
152.01094	0.6
159.04486	0.9
161.02396	2.0
162.03223	10.9
177.01927	3.4
178.02719	3.0
179.03453	1.8
187.07620	1.4
203.10725	0.8
209.11803	0.6
209.48882	0.4
211.12936	0.5
213.09201	0.5
231.10229	23.0
232.10587	1.9
275.09225	100.0
276.09561	8.8
391.10242	4.5
392.10989	0.6
394.27658	0.4
507.20291	1.0
551.19391	1.7
762.89148	0.5
767.65936	0.5
783.32135	2.0
783.49628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	0.7
63.96236	2.0
69.03457	0.6
70.23860	1.6
71.01379	10.1
73.02934	1.9
73.39846	0.6
75.37728	0.5
75.85449	0.4
75.91515	0.5
78.95912	1.7
78.98582	7.8
79.95734	19.2
79.96214	1.0
80.96513	96.1
81.03452	1.0
82.96087	1.1
83.01392	0.6
85.02943	4.0
86.26749	0.5
87.00865	3.4
94.98081	20.9
96.96001	1.4
97.02950	1.9
98.20575	0.7
99.00905	0.7
101.02406	4.1
102.79514	0.6
106.98095	4.9
116.92814	0.7
122.97581	5.3
125.02444	3.5
127.04032	1.1
129.59064	0.5
134.97586	7.2
136.99113	1.7
146.97601	0.6
148.99142	7.7
152.98607	7.8
153.19942	0.5
164.98613	17.2
167.00067	0.6
196.24197	0.5
199.09673	0.7
206.99663	3.7
209.11807	1.5
225.00728	25.7
225.11285	0.8
226.01021	1.4
241.01099	0.9
250.59877	0.6
255.23302	2.2
256.23483	0.7
277.83597	0.6
481.13647	0.8
507.15549	1.0
525.16205	1.5
537.27594	2.7
549.12421	0.7
709.38892	1.7
737.38690	2.4
738.38824	0.7
763.39386	16.6
764.40033	4.2
781.40387	100.0
782.40729	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4405
Annotation	lugdunin
Peak:m/z	Relative Intensity
57.91249	0.5
59.01389	0.5
63.96235	2.1
67.12800	0.5
69.03454	0.7
71.01007	0.9
71.01379	9.3
72.99284	0.5
73.02941	2.3
74.29016	0.4
75.59480	0.5
78.95893	0.7
78.98586	8.7
79.95730	14.2
80.96512	85.7
81.96479	0.5
82.96085	0.7
85.02945	3.3
87.00871	3.4
88.42604	0.6
88.99209	0.5
94.98077	20.5
96.96008	1.4
97.02943	1.6
98.20692	1.1
99.00870	0.9
101.02430	2.5
106.98072	3.5
116.92899	0.5
122.97589	4.4
125.02443	3.5
127.04024	1.1
134.83238	0.5
134.97559	6.5
136.99141	1.3
148.99118	7.3
152.98622	6.7
164.98610	13.8
167.00264	0.5
206.99643	3.7
211.13469	2.4
225.00723	22.6
226.00990	0.7
233.21008	0.6
255.23277	2.0
283.04675	0.5
338.84952	0.5
505.43634	0.6
525.20172	1.9
537.27325	2.3
571.95667	0.6
659.46423	0.5
749.42603	0.5
763.39471	0.9
780.14874	0.5
781.43958	100.0
782.44318	25.1
782.58984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13234	0.1
58.57079	0.1
58.60652	0.1
61.98827	100.0
62.98545	0.2
66.92507	0.1
70.81077	0.2
78.95921	0.1
80.96526	0.1
95.72765	0.1
99.54358	0.1
100.91759	0.1
106.51729	0.1
117.84605	0.1
120.92214	0.1
143.00607	0.1
293.21259	0.1
505.08459	0.1
765.02551	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	776.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.88499	0.1
62.98520	0.1
63.99257	0.1
69.17548	0.1
70.99570	0.2
95.76538	0.1
106.34563	0.1
301.85016	0.1
346.70795	0.1
406.61673	0.1
522.56250	0.1
553.17987	0.1
608.80042	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	777.419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.84827	3.5
69.30822	28.3
71.01380	5.6
72.31873	3.8
80.96476	7.0
81.58261	3.9
96.35451	4.0
134.44562	3.9
138.18979	3.7
201.11308	28.1
209.11815	59.1
225.11024	4.5
227.12785	11.9
235.08221	9.6
250.44244	4.6
253.09239	13.5
277.21704	76.9
278.22067	7.2
359.53598	3.8
445.20633	8.0
513.30695	9.4
697.42108	5.0
723.42523	5.6
740.41876	4.9
777.42029	31.8
778.42676	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	777.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.6
61.98819	7.4
69.03441	0.7
71.01379	3.1
71.51095	0.8
71.51518	0.8
73.02959	0.9
77.17533	0.6
78.95873	0.7
80.96503	1.0
84.90164	0.6
87.00856	0.8
89.02440	2.9
101.02414	3.5
111.03918	0.7
111.08194	0.9
113.02438	1.7
119.03513	0.8
149.09703	1.0
149.15034	0.6
151.11189	0.8
161.04535	1.8
167.10756	13.2
168.11067	1.0
179.05669	0.6
179.14418	1.2
195.10179	3.1
195.13864	8.4
196.14565	0.7
203.17923	1.2
205.35921	0.7
207.28577	0.8
211.13301	0.8
223.13385	5.9
235.08249	2.2
247.17003	4.1
253.09254	27.6
254.09686	1.1
256.13208	1.4
265.18054	72.8
266.18399	5.1
275.20142	6.2
276.20581	1.1
277.21735	1.0
293.21194	100.0
294.21539	9.0
486.27686	0.7
501.27020	1.5
529.30176	2.0
541.39087	2.7
622.50366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	3.1
61.71186	0.9
61.98824	100.0
62.39560	1.0
71.01374	6.0
73.02927	2.2
74.15189	0.9
78.95876	4.7
85.02923	1.6
89.02422	1.7
97.69500	1.0
99.81912	1.0
101.02444	7.9
101.97266	0.9
108.63699	1.0
113.02431	2.3
113.13319	1.0
115.00418	1.3
152.99518	1.9
161.04550	2.0
181.00377	0.9
215.68741	0.9
220.06996	0.9
227.36002	0.9
277.21671	2.1
278.22009	1.0
279.99390	1.0
293.20923	1.5
311.22003	1.6
422.81409	1.0
459.58542	1.0
577.37134	3.1
739.42694	33.5
740.42987	7.2
775.40216	59.6
776.40741	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	775.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	3.1
61.71186	0.9
61.98824	100.0
62.39560	1.0
71.01374	6.0
73.02927	2.2
74.15189	0.9
78.95876	4.7
85.02923	1.6
89.02422	1.7
97.69500	1.0
99.81912	1.0
101.02444	7.9
101.97266	0.9
108.63699	1.0
113.02431	2.3
113.13319	1.0
115.00418	1.3
152.99518	1.9
161.04550	2.0
181.00377	0.9
215.68741	0.9
220.06996	0.9
227.36002	0.9
277.21671	2.1
278.22009	1.0
279.99390	1.0
293.20923	1.5
311.22003	1.6
422.81409	1.0
459.58542	1.0
577.37134	3.1
739.42694	33.5
740.42987	7.2
775.40216	59.6
776.40741	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	775.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
61.98838	2.3
69.30943	5.5
71.01396	2.9
79.95748	0.6
81.03493	0.7
83.50680	0.6
85.02959	1.3
93.03448	3.6
95.05031	0.9
96.96047	1.1
101.02484	0.8
107.05053	1.1
108.02227	0.7
109.02946	4.8
114.94427	0.6
115.00390	2.5
121.02955	5.8
122.03739	13.7
123.00900	1.6
123.04623	1.0
124.01625	1.2
125.02422	1.2
132.02176	0.7
133.01434	3.2
133.02934	1.8
134.03699	1.3
135.04530	2.3
136.01651	2.0
137.02448	12.9
139.00409	0.6
139.04012	1.0
147.04523	1.0
149.02435	25.4
149.06071	0.9
150.03218	100.0
151.00377	10.4
151.03813	5.1
152.01071	2.1
152.04759	4.5
153.01996	1.0
154.02774	0.6
159.04510	0.9
161.02411	1.1
162.03160	0.9
163.03941	1.2
164.04773	5.6
165.05556	98.2
166.02696	32.4
166.05824	5.8
167.03349	2.9
175.03957	2.9
177.01897	1.9
177.05545	3.2
178.02779	1.0
179.03461	2.7
179.07114	1.4
180.04280	7.5
181.05055	41.0
182.05367	2.1
184.03804	1.8
187.03996	2.6
190.02693	0.9
190.06306	1.4
191.03600	1.0
191.05565	2.3
192.04210	1.4
193.05022	2.5
195.06607	56.4
196.07001	3.6
202.06364	1.5
204.04225	0.8
205.05084	7.5
219.06526	1.1
220.07411	5.5
221.07996	1.3
282.05084	1.3
315.08505	1.9
329.10303	1.5
341.10226	0.7
359.11578	0.8
372.12051	1.8
373.12631	0.8
385.12549	0.9
386.13651	1.3
387.10007	6.0
387.15140	7.1
402.13153	5.0
403.13754	2.3
415.13565	0.7
416.14587	2.4
417.15512	57.1
418.15903	7.0
498.74478	0.7
520.16931	0.8
535.14789	3.7
548.20728	0.8
550.18030	2.0
565.20728	60.8
566.21191	10.8
583.21082	2.3
595.21356	3.0
596.21613	0.9
613.22852	49.8
614.23157	10.5
775.29565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.51995	0.5
57.03442	1.5
58.00590	4.1
59.01376	100.0
60.01717	1.2
61.27828	0.5
61.98833	5.3
69.41007	1.2
69.41413	3.3
71.01377	73.5
72.01727	1.3
72.99301	5.7
73.02944	2.1
81.03482	0.6
83.01362	2.8
85.02946	12.3
87.00860	6.2
89.02440	87.9
90.02788	1.5
92.65093	0.5
93.03428	1.4
95.01367	5.9
96.56277	0.5
96.95992	1.0
97.02972	0.5
101.02436	40.9
102.02776	0.9
105.03399	0.6
108.02146	1.2
109.02937	1.2
113.02441	32.3
115.00347	2.2
117.03442	2.1
119.03492	39.4
120.03855	1.0
121.02931	1.9
122.03687	2.1
123.00857	0.9
123.04475	0.7
124.01631	0.8
125.02409	1.4
127.04086	0.6
131.03496	5.4
133.01453	2.9
133.02922	1.6
134.03706	0.7
135.04468	1.9
136.01625	1.6
137.02449	4.6
143.03491	9.5
145.02934	9.9
146.03679	2.5
147.04498	1.9
149.02461	3.3
149.04530	3.6
149.05658	0.7
150.03220	13.0
151.00369	10.0
151.04001	2.9
152.01025	1.2
160.05232	1.1
161.02444	7.5
161.04532	7.3
161.05869	1.1
162.03215	45.6
163.03630	2.3
164.04816	0.7
165.01910	1.1
165.04204	0.8
165.05553	15.2
166.02699	32.1
167.03221	1.9
174.03023	0.6
175.03914	2.3
176.01064	1.2
177.01917	2.3
177.05559	24.7
178.02690	0.8
178.05849	0.9
179.03374	1.3
179.05594	22.5
180.04301	4.5
180.05775	1.1
181.05054	32.3
182.05313	2.1
189.56041	0.6
191.03453	1.8
191.05534	3.8
192.04196	1.6
193.04973	0.8
195.04823	1.1
195.06601	19.1
196.06952	0.9
205.04991	1.8
207.06512	2.7
209.04466	0.8
209.11771	0.7
219.06432	1.4
301.04660	0.7
330.44434	0.6
357.12219	3.6
386.13416	0.8
387.10263	3.9
387.14447	1.7
401.12469	0.9
402.13000	1.8
403.13620	0.8
416.14618	2.2
417.10275	1.0
417.15448	15.3
418.15689	1.5
479.12668	0.9
559.19269	0.7
565.20447	1.4
577.20740	25.8
578.21124	5.1
599.95477	0.6
613.22772	3.5
614.23267	0.9
774.42871	2.2
775.26617	1.9
775.43024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
61.98827	100.0
63.33746	0.2
67.90784	0.1
69.36370	0.9
69.36787	0.3
71.01382	0.7
73.02961	0.1
73.32722	0.1
78.95897	0.9
79.95773	0.2
80.96497	0.2
83.05013	0.3
85.00753	0.2
86.08028	0.1
89.02441	0.2
94.76160	0.2
101.02426	0.3
109.06541	0.2
115.00375	0.2
116.92880	0.2
117.92884	0.3
119.94718	0.6
152.99615	0.4
155.07225	0.2
181.08720	2.0
182.09077	0.5
199.09767	0.2
201.11304	0.2
209.11852	0.5
225.11238	0.2
239.34233	0.2
253.09320	0.7
277.21713	2.9
278.22079	2.6
289.80453	0.2
311.53552	0.2
711.39716	0.3
738.41113	0.2
774.40381	0.3
775.35010	0.2
775.45074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06384	0.1
61.98825	100.0
71.01426	0.2
71.43276	0.3
75.27190	0.1
83.23779	0.2
96.92563	0.2
96.96011	0.2
115.78745	0.2
117.27906	0.1
118.06934	0.1
133.01428	0.3
165.01958	0.3
166.02324	0.2
228.03822	0.2
271.02423	1.7
272.02838	1.5
273.02954	1.1
274.03281	0.7
299.01901	2.1
300.02249	2.4
301.02481	1.9
302.02670	1.0
314.04266	2.3
315.04697	2.9
316.04874	1.9
317.05157	1.2
343.10568	0.4
510.15714	0.2
569.12952	0.2
774.20618	6.5
775.21472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.8
61.98833	9.6
66.00552	0.9
70.99362	2.0
71.01379	7.1
73.02954	1.7
80.29539	0.8
83.01430	1.3
83.04998	4.4
85.02940	2.2
87.00864	1.6
89.02447	2.9
96.96024	1.3
97.02972	2.2
97.06610	1.2
99.00902	0.8
101.02444	5.0
109.06540	1.5
111.08134	5.2
113.02433	3.7
115.00377	1.5
116.92898	1.3
119.03461	1.2
125.06082	1.3
125.09705	2.5
127.11266	2.3
133.01427	2.6
137.66615	0.9
153.90305	0.9
155.10803	1.7
158.49866	0.8
161.04535	2.0
163.11243	4.6
165.09180	1.0
165.12822	4.0
169.12326	1.3
171.10234	6.4
181.08778	0.9
185.11926	1.1
191.05525	1.8
193.12196	1.1
197.11835	20.7
198.12160	1.7
199.09673	1.1
199.13426	1.9
201.11314	43.2
202.11626	2.5
209.11818	100.0
210.12131	5.5
211.13467	4.9
212.77609	0.8
225.11327	1.5
227.12872	15.4
228.13297	1.2
235.08171	5.7
247.20647	1.3
253.09267	24.8
254.09407	1.0
263.20139	2.5
273.18817	1.1
291.19696	21.7
292.20129	2.3
309.20682	59.4
310.21063	7.5
327.21725	6.6
437.20181	1.6
445.20752	2.5
484.75751	1.0
493.31561	1.3
545.29730	4.5
773.40051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77740	0.1
59.01376	0.6
61.98827	100.0
62.98526	0.2
71.01368	1.0
71.01670	0.1
71.34154	0.2
80.96506	0.1
85.02950	0.1
85.87753	0.1
89.02476	0.2
95.05036	0.1
96.96025	0.2
101.02466	0.2
109.03011	0.2
111.90652	0.1
115.00380	0.9
119.89098	0.1
133.01425	1.3
133.02940	0.6
134.03743	0.4
135.04538	0.2
136.01675	0.2
177.01967	0.5
178.02744	0.4
179.03517	0.2
209.11816	0.2
266.08261	0.4
275.09372	0.4
293.10382	0.3
387.14478	0.1
388.14734	0.1
667.57294	0.1
700.98035	0.1
772.42151	0.5
790.43933	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	773.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.9
61.98828	100.0
71.01373	7.4
71.07607	2.4
71.07948	1.6
73.02968	1.3
78.95897	3.9
83.01395	1.6
83.05020	6.1
85.02959	1.3
89.02428	4.3
97.06606	1.6
97.92612	1.2
101.02439	5.4
101.11745	1.3
113.02406	2.9
115.00375	1.4
116.92863	4.4
133.01483	1.2
137.06094	2.1
152.99562	2.3
155.07156	8.2
161.04550	2.6
173.08180	5.1
181.07156	2.1
181.08710	36.2
182.08968	1.7
199.09738	2.9
209.11824	1.3
235.08232	4.4
253.09273	11.0
277.21719	85.7
278.22021	8.7
371.22388	1.2
466.78320	1.5
513.30487	2.6
737.41272	15.0
738.41449	3.4
773.38745	24.5
774.39441	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	771.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03159	0.5
57.03444	9.5
59.01377	2.5
69.03452	1.2
69.40458	2.0
71.01377	9.6
72.99297	0.4
73.02940	2.3
74.02479	0.6
81.03432	0.3
83.01395	0.8
85.02944	4.4
87.00873	0.7
89.02429	1.4
95.01397	0.7
95.05020	2.4
96.95992	1.5
97.02902	0.6
97.06599	2.2
99.00836	1.3
101.02431	5.5
107.05038	1.2
108.02167	0.4
109.06588	3.5
113.02450	4.6
115.00376	1.9
119.03465	0.4
119.08651	0.4
121.06592	0.9
123.04514	7.5
123.08131	1.9
125.02416	0.6
125.06085	0.4
133.01440	2.5
135.04533	1.7
135.08138	1.6
137.09752	0.5
138.01958	0.9
138.06908	0.5
139.07617	0.7
143.03484	0.9
145.01425	1.1
147.04567	0.3
147.08156	6.3
148.08466	0.4
149.04875	0.3
149.06052	0.6
149.09698	3.2
151.07684	0.5
151.11273	5.1
153.09201	1.5
159.02988	1.2
159.08110	0.4
161.04546	20.9
161.09692	3.9
162.04921	0.5
163.07593	1.4
163.11272	2.4
164.08391	1.9
164.11610	0.3
165.09178	0.5
171.08170	0.9
172.08934	0.6
175.07622	0.3
175.11290	1.5
176.08353	0.4
177.12822	2.7
179.03462	0.7
179.10759	100.0
180.11078	6.6
183.06612	1.1
187.11275	11.7
188.08438	1.3
188.11652	0.7
189.09181	2.8
190.10011	1.7
191.05597	0.8
195.13899	1.4
203.08177	0.3
203.08873	0.3
203.10791	3.7
205.03528	0.8
205.12309	92.6
206.12634	6.5
223.13380	11.1
223.14986	0.2
223.15628	0.4
224.13708	0.6
232.10873	0.3
245.09419	1.3
255.03096	0.3
267.07254	0.3
284.03378	0.3
285.04254	0.5
299.01895	0.4
300.02353	0.3
306.07761	0.3
341.15994	9.7
341.20200	0.5
342.16229	0.9
360.53510	0.3
367.17664	3.4
369.13235	0.4
385.11578	3.2
448.07867	0.3
459.02707	0.3
509.24002	0.3
579.20526	0.4
611.14063	1.8
771.20142	0.3
772.21692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.6
61.98825	0.9
71.01377	9.9
71.51540	0.8
72.99310	2.5
73.02975	0.6
73.42323	0.6
74.64927	0.5
85.02934	0.8
88.98806	2.2
107.05027	0.9
113.02467	1.5
115.00370	11.3
133.01398	1.4
133.02948	1.9
134.03748	3.3
135.04515	82.2
136.04866	3.8
137.02443	0.7
137.09717	2.0
155.10765	17.2
156.11087	0.8
177.01897	0.6
177.05444	0.9
178.02701	2.2
179.03484	100.0
180.03815	4.4
191.05635	1.2
199.09740	4.5
221.24789	0.6
271.02396	0.7
299.01965	1.5
314.04367	1.2
341.08713	1.3
347.35114	0.6
399.51379	0.6
444.55814	0.5
455.11829	5.0
473.12790	0.9
475.18185	1.4
655.22369	79.5
656.22778	15.2
656.33917	0.9
690.84131	0.8
771.22589	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1992
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
57.59847	0.4
59.01362	0.9
60.55908	0.4
63.08784	0.4
65.00294	0.5
68.86937	0.4
69.56863	2.8
93.03445	1.0
96.96025	1.0
107.01375	1.7
109.02930	1.0
115.00362	2.3
117.03465	0.7
119.05009	2.1
119.62981	0.5
125.02393	0.5
128.03513	0.7
133.01416	5.3
133.02963	0.6
135.04546	2.0
137.02341	0.4
145.01390	0.9
146.04593	1.2
151.00363	3.1
153.01976	1.0
159.04482	0.6
161.06099	0.4
163.00224	0.6
163.04007	1.8
165.01917	0.5
169.06633	0.4
175.02464	1.1
179.03481	1.9
180.06645	0.5
182.03758	0.5
183.04494	1.0
185.06052	0.9
187.04002	0.6
189.92226	0.4
198.54480	0.5
211.03996	1.7
213.05499	0.6
227.03485	12.3
228.03970	0.7
229.05013	3.2
239.03442	1.0
255.02969	39.9
256.03516	4.5
257.04486	2.2
283.02457	35.9
284.03220	48.2
285.03986	46.7
286.04330	2.7
299.05704	0.6
305.99036	0.4
327.05081	2.1
328.75656	0.5
445.57660	0.5
446.08484	2.4
447.09280	0.7
498.18588	0.5
543.49139	0.4
609.14539	100.0
610.14874	15.4
613.87457	0.5
771.19867	1.9
772.21222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01376	11.6
59.46288	1.3
61.98824	9.0
64.36827	1.5
69.03440	4.8
71.01376	9.9
71.05031	1.6
73.02940	1.6
75.69051	1.3
83.05012	2.3
85.02938	2.0
87.00875	1.6
89.02424	4.0
91.56485	1.2
96.96015	2.0
97.02908	2.9
97.06573	2.7
98.19878	3.6
99.00849	4.3
101.02435	3.8
109.06548	2.2
111.08132	4.4
113.02424	3.5
115.00327	1.8
123.08163	1.3
125.09700	4.4
133.01407	4.2
133.02925	1.2
137.09738	1.5
151.11285	2.2
153.12886	2.2
161.04567	2.2
161.09779	2.7
163.11226	3.5
165.12827	2.6
169.12283	3.5
171.10205	6.0
179.10732	7.1
181.08665	5.8
181.12273	4.9
197.11807	68.7
198.12177	2.9
199.13376	2.6
206.64053	1.3
207.10249	7.7
209.11795	12.4
211.13359	3.7
223.09729	1.6
225.11263	9.6
227.12868	3.2
235.08113	1.8
243.12312	2.5
245.18880	1.3
253.09253	4.4
263.16531	1.8
289.17947	2.3
291.19617	12.3
307.19122	2.9
309.20639	5.8
461.20148	2.3
672.85468	1.7
769.40112	100.0
770.40277	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1983
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02401	0.3
65.00304	1.4
69.50273	0.3
69.69734	1.2
71.01391	0.5
79.28782	0.2
82.75275	0.3
97.02947	0.9
107.01382	0.6
109.02967	0.8
115.00390	0.6
121.02961	2.7
133.01401	0.8
133.02910	0.3
135.04570	0.4
147.00902	0.6
149.02428	0.4
151.00381	1.1
163.03976	0.4
165.01921	10.9
166.02269	0.6
171.04503	0.4
175.03970	0.6
187.07565	0.3
193.01405	2.7
199.03915	2.0
201.01961	0.5
202.41328	0.3
203.03510	0.7
207.03052	0.3
215.03474	1.3
225.01913	0.3
226.02716	0.5
227.03474	3.1
229.01317	0.4
242.02238	0.8
243.02942	5.3
244.03387	0.4
254.02151	1.0
255.02951	1.2
256.03699	0.4
269.04504	2.0
270.01660	1.4
271.02451	61.9
272.02826	5.2
282.01495	0.4
285.04001	3.3
286.04514	0.6
287.05600	1.0
299.01935	100.0
300.02350	10.3
313.03464	0.6
314.04288	94.2
315.04904	18.3
316.05438	1.0
323.06024	0.3
328.05893	0.3
343.10611	0.3
357.06113	0.9
369.06219	0.4
382.28088	0.3
457.50699	0.3
489.09903	0.4
529.20233	0.3
747.06165	0.3
771.19800	75.2
772.20190	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
57.80868	0.8
59.01373	8.1
61.98827	6.2
69.03124	0.7
69.03450	4.1
71.01378	9.1
71.05000	1.8
73.02927	1.4
77.56678	0.6
81.03477	1.3
83.01378	0.9
83.05010	1.3
85.02936	1.8
86.58604	0.7
87.00857	1.2
89.02447	2.7
96.96000	2.4
97.02936	1.4
97.06574	1.2
98.71785	0.8
101.02455	4.1
111.04517	0.9
111.08170	3.4
113.02454	1.6
115.00388	1.9
119.03539	0.8
123.08147	1.0
125.09704	2.4
133.01419	1.5
137.09688	0.9
149.09538	0.7
151.11259	1.7
153.09120	0.7
153.12823	2.0
161.04536	1.1
161.09749	3.4
163.11191	0.9
165.12811	1.9
169.12343	1.7
171.10245	3.2
179.10742	6.4
180.11133	0.7
181.08630	1.6
197.11830	76.4
198.12216	4.5
199.13440	1.1
207.10205	1.9
209.11790	5.1
211.13425	3.5
223.09756	2.1
225.11316	2.6
227.12813	1.5
235.08070	1.1
241.10786	4.0
242.10741	0.9
247.20551	0.8
253.09286	4.4
284.38626	0.8
289.18280	1.5
291.19659	6.6
309.20779	4.0
374.50879	0.8
477.19583	1.6
650.62872	0.8
713.89374	0.8
769.40112	100.0
770.40479	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01362	2.6
61.98825	19.2
62.05684	0.6
62.25071	0.6
63.96231	1.3
68.09758	0.5
68.43978	0.6
69.03442	1.1
71.01378	14.4
72.99293	1.0
73.02950	2.5
78.98580	7.2
79.95730	11.5
80.96510	74.6
81.03477	1.0
83.01382	0.6
83.05028	0.9
85.02944	3.2
87.00870	3.6
88.98769	1.2
89.02467	1.2
90.01708	0.6
94.89487	0.6
94.98080	16.0
95.01377	0.7
96.96013	2.9
97.02930	1.2
99.00898	1.2
101.02435	4.1
106.98101	3.3
108.02155	1.3
113.02409	1.1
115.00374	5.0
119.65557	0.5
122.97542	2.9
125.02427	2.8
127.03957	0.6
133.01422	5.9
134.03757	1.1
134.97581	5.5
135.04503	1.9
136.99147	1.2
148.99126	6.4
152.01134	2.0
152.98636	6.8
163.11226	0.6
164.97328	1.0
164.98615	12.3
164.99898	1.1
165.43820	0.6
174.03159	0.7
178.02652	0.8
178.24855	0.5
178.91917	0.6
179.03340	1.3
200.66650	0.5
206.99644	2.9
209.11754	4.6
225.00723	25.4
275.09219	1.3
303.42380	0.6
383.11304	0.9
509.16708	2.3
541.19525	1.7
733.28204	0.7
751.29102	0.7
766.22491	0.5
768.50677	0.7
769.32959	100.0
770.33264	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
57.03427	5.2
58.00583	1.8
59.01375	100.0
67.01888	12.1
69.03444	7.3
70.25654	4.8
70.52393	1.2
71.01373	23.5
72.99300	4.3
73.02942	6.7
76.61510	1.3
81.03452	9.6
83.01395	16.0
83.05009	5.4
85.02944	74.5
87.00875	13.8
89.02431	4.0
92.09943	1.4
93.03457	16.3
95.01381	52.9
97.02936	10.0
99.00863	6.8
99.04509	9.7
101.02448	8.3
103.03992	5.0
104.95943	1.6
106.50414	1.4
108.02172	3.9
109.02950	19.6
111.00874	55.3
111.04496	5.0
112.01135	2.0
113.02443	25.5
115.00338	2.7
119.03528	1.4
119.04972	2.2
121.02894	1.7
123.04485	3.5
125.02452	8.0
126.05812	1.2
127.04011	37.6
127.07610	1.7
129.01949	1.5
129.05554	3.9
129.69273	1.3
133.01421	3.6
133.99759	1.4
135.04509	2.2
137.02438	11.0
139.00365	64.6
139.03998	2.2
140.00642	1.6
141.05569	3.9
145.01387	3.2
145.05063	16.7
149.02420	3.2
151.03960	3.2
153.01920	4.9
155.03502	18.9
157.01392	6.4
163.04057	2.1
163.06078	5.5
167.03418	5.3
169.05081	8.6
171.02971	5.9
174.11472	1.6
179.03427	4.9
181.01500	2.8
181.05019	1.4
189.07736	6.6
193.01332	1.3
199.02457	76.9
200.02740	3.9
213.04005	3.0
217.03477	2.1
223.02226	1.4
241.03595	1.6
241.07085	2.8
257.06631	2.4
259.08221	4.1
285.06149	11.0
301.05670	3.6
303.07095	10.5
306.07684	3.1
327.07031	2.4
345.08249	26.9
346.08496	2.2
352.78488	1.7
363.09091	1.7
379.53433	1.5
386.32907	1.5
387.09302	34.3
388.09570	3.0
405.10303	25.4
423.11069	1.9
465.12317	3.5
493.12299	2.3
551.16266	3.3
569.17181	4.9
579.15790	5.4
597.16547	5.0
647.18134	2.9
665.19153	2.9
691.17798	2.1
709.18073	2.7
769.20044	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	767.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96224	1.2
71.01374	8.7
73.02934	1.4
78.95911	1.4
78.98598	5.9
79.95729	12.7
80.96510	73.3
82.96101	1.8
85.02953	2.1
87.00854	3.4
94.98073	16.6
96.95998	1.3
97.02938	1.1
101.02430	2.0
106.98076	3.4
116.85727	0.7
119.34011	0.7
122.97582	4.3
125.02433	2.6
130.48613	0.8
132.28993	0.8
134.97575	4.7
136.99136	1.2
148.99162	5.1
152.98621	6.3
153.99326	0.8
164.98608	12.1
165.79370	0.8
196.89507	1.0
197.11754	1.8
203.62254	0.8
206.99657	2.7
220.70897	0.8
225.00726	17.8
226.01010	0.8
229.38350	0.7
255.23332	1.9
279.23218	1.2
398.64566	0.8
429.14456	0.9
505.76495	0.9
511.18375	2.3
518.98651	0.8
537.27478	1.6
767.42383	100.0
768.42773	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.45159	0.1
61.98826	100.0
62.98516	0.2
71.01386	0.7
71.52224	0.1
78.95939	0.1
81.56078	0.1
85.02959	0.1
96.96031	0.2
101.02406	0.2
108.02150	0.1
115.00381	0.3
133.01442	0.7
171.10330	0.1
179.03487	0.1
191.05595	0.1
199.93758	0.1
209.11864	0.2
210.12170	0.1
250.88147	0.1
291.19806	0.1
300.74338	0.1
309.20789	0.3
310.21045	0.2
318.59753	0.1
397.13641	0.2
398.13821	0.2
417.15787	0.1
435.65268	0.1
768.31909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
59.82882	0.4
61.98819	0.9
63.96229	1.4
69.78033	2.2
71.01384	7.0
73.02946	1.3
78.98589	6.2
79.95737	13.1
80.96514	72.2
81.03469	1.1
82.96111	0.5
87.00879	1.5
94.98079	15.2
96.96017	1.0
97.02959	1.7
98.19878	0.7
99.00856	0.7
101.02456	3.0
102.24097	0.5
105.77383	0.4
106.98084	3.3
113.02365	0.7
122.97573	3.4
125.02458	3.6
127.04010	1.1
134.97585	5.8
136.99150	1.8
148.99129	7.2
152.98621	5.2
164.98634	12.3
165.00026	0.6
206.99655	3.0
209.11890	1.7
225.00729	24.1
235.23164	0.5
255.23329	1.6
306.43152	0.6
509.16968	3.0
510.16672	0.6
537.27203	2.4
639.81342	0.5
765.40930	100.0
766.41260	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.7
61.98826	6.1
63.96233	1.6
69.03460	1.1
70.57140	1.5
71.01370	7.3
72.99300	0.5
73.02930	1.7
78.98579	6.7
79.95730	14.0
80.96510	79.2
81.03441	1.3
87.00874	2.9
94.97493	1.0
94.98077	18.2
95.01366	0.8
96.95989	1.1
97.02940	2.4
101.02451	2.9
106.98080	3.0
122.97587	4.7
125.02451	3.4
127.03999	0.9
134.97569	5.5
136.99117	1.8
148.99129	6.8
152.98615	7.2
164.98621	14.2
194.46758	0.5
206.99763	3.3
209.11745	1.4
225.00725	24.9
255.23247	1.9
283.04785	0.8
509.17029	2.8
537.27264	1.7
561.71014	0.5
757.92572	0.5
765.40894	100.0
766.41211	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.99302	17.9
61.98831	3.0
64.43876	0.3
69.46124	0.3
71.01377	0.7
71.33462	0.4
72.85252	0.3
80.06416	0.4
87.00873	1.5
88.00395	3.1
88.98798	100.0
89.02434	10.5
89.02860	0.2
89.99131	1.0
110.84537	0.3
116.48351	0.3
130.53755	0.3
131.50745	0.3
171.10219	1.4
207.10223	0.6
225.11345	0.5
233.92726	0.4
249.18526	1.7
277.21576	0.6
327.12549	0.4
397.13458	1.2
462.08057	0.5
765.39301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80169	0.2
59.01378	0.3
60.99302	17.5
61.98825	2.2
71.01390	0.5
80.42211	0.2
80.96549	0.2
87.00887	1.5
88.00401	2.6
88.98800	100.0
89.02438	12.2
89.99142	0.9
104.46076	0.2
125.02405	0.2
146.71620	0.2
156.28195	0.2
223.53653	0.2
229.22334	0.2
277.21780	0.5
282.35468	0.2
397.13556	0.9
415.14557	0.6
449.67380	0.2
573.07892	0.3
663.31995	0.2
726.59998	0.3
742.61322	0.2
765.38068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10691	9.1
53.34777	8.9
55.28273	9.0
55.46664	8.8
55.82763	9.1
57.41862	8.7
59.01360	9.3
60.06168	9.0
61.98818	36.8
71.51315	9.8
72.19711	9.3
82.06607	11.9
104.74089	9.2
106.04796	8.8
125.00033	9.6
159.89090	9.8
163.83986	8.9
181.08708	69.9
198.40514	9.7
199.09792	11.7
245.47523	9.3
277.21683	100.0
361.91467	9.2
472.89291	9.3
513.30756	11.1
726.86011	11.8
763.40448	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87732	11.6
56.85009	11.9
61.98822	77.6
69.97124	10.8
69.97433	61.2
78.95912	25.5
87.47768	12.6
87.48380	11.1
92.69230	13.2
98.19939	13.5
98.68195	13.0
110.93542	11.6
111.34410	11.2
164.49557	11.9
181.00903	11.7
209.11810	100.0
249.18523	45.9
261.79379	13.7
277.21606	16.6
300.34348	12.5
311.16891	18.3
343.61362	14.0
372.14862	12.1
763.40204	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33431	0.4
59.01373	0.9
63.96230	1.7
69.03449	0.8
69.97961	1.9
71.01378	9.1
73.02934	2.0
78.95906	1.1
78.98580	6.9
79.95734	15.4
80.96513	87.0
81.03461	0.6
85.02940	2.8
87.00881	3.4
94.98082	20.1
95.01420	0.5
96.96009	1.9
97.02932	1.9
99.00858	0.7
101.02433	3.0
106.98086	3.5
119.67224	0.4
122.97575	4.5
125.02435	3.3
127.04025	1.1
128.83437	0.5
134.97578	7.1
136.99112	1.5
138.97005	0.5
141.69688	0.4
143.28059	0.4
148.99153	7.5
152.98611	6.5
152.99713	0.5
164.98619	12.7
167.00099	0.6
188.98631	0.7
206.99657	3.6
209.11952	0.8
223.13458	0.7
225.00713	22.7
226.01019	0.6
255.23329	2.5
283.04916	0.9
482.06366	0.5
505.17401	2.7
520.59650	0.5
537.27435	1.8
761.41394	100.0
762.41699	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
58.02970	6.6
59.01377	6.5
61.85213	0.4
61.98827	0.6
65.84875	0.4
70.02974	6.2
71.01369	3.0
72.00903	2.1
72.04544	1.4
73.02956	2.3
74.02468	39.1
75.02777	0.6
79.05534	1.8
80.02673	0.4
81.03434	1.8
83.05029	0.8
85.02932	0.6
86.01594	0.3
88.98808	0.4
93.03410	0.5
95.05014	3.8
96.95998	1.4
98.02480	9.1
101.02444	0.7
108.02219	0.4
109.06600	1.1
115.00386	1.8
116.03542	9.0
116.05043	14.0
117.05360	0.5
119.08688	0.4
121.06588	1.4
123.04526	1.2
130.06609	1.4
133.01389	2.4
134.03757	0.6
135.04546	0.7
135.08180	1.1
137.09714	1.5
142.06631	3.5
149.09712	0.4
151.11275	1.4
159.08066	1.1
159.09273	3.2
161.09702	24.1
162.10107	1.2
164.08415	4.9
172.49413	0.4
179.10757	95.7
180.11081	6.0
183.09267	0.6
186.05618	0.9
187.11325	0.8
190.09969	2.5
191.05637	2.1
201.10324	3.7
203.08241	38.8
204.08624	2.4
205.12306	14.6
206.12682	1.2
223.13370	14.5
245.09273	100.0
246.09615	7.7
275.09119	0.6
289.08264	0.5
293.10117	0.7
383.17053	6.1
384.17349	0.9
474.35068	0.4
726.30353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
58.02968	6.3
59.01372	6.3
70.02973	6.4
71.01369	2.5
71.50681	0.4
72.00902	2.6
72.04543	0.7
73.02922	1.7
74.02468	41.7
74.65310	0.4
75.02818	0.4
79.05533	1.6
79.95739	0.5
81.03458	0.8
81.60001	0.4
83.05005	0.9
84.04479	0.3
93.03458	0.7
95.05027	4.3
96.96015	1.5
98.02474	8.8
101.02461	0.9
108.02125	0.5
109.06600	0.7
115.00358	1.5
116.03542	9.6
116.05050	16.2
117.05472	0.4
119.08666	0.5
121.06608	1.0
123.04533	1.5
124.01589	0.4
130.06622	1.3
133.01421	2.6
134.03749	0.4
135.04550	0.8
135.08159	1.4
137.09694	1.8
142.06606	3.0
149.09717	1.0
151.11281	1.5
159.08095	1.4
159.09277	3.4
161.04622	0.5
161.09706	26.1
162.10060	1.8
163.11284	0.4
164.08403	4.9
171.59006	0.3
177.09218	0.5
179.10757	94.6
180.11104	5.5
186.05627	0.8
187.07608	0.4
187.11264	1.0
190.10002	2.6
191.05589	2.3
199.91473	0.4
201.10345	4.0
203.08243	42.0
204.08543	2.4
205.12302	14.8
206.12671	1.1
206.84027	0.3
223.13379	13.0
224.13724	1.2
245.09271	100.0
245.68663	0.4
246.09616	7.9
246.80598	0.3
275.09274	0.4
289.08347	1.0
293.10336	1.0
320.26062	0.3
383.17111	6.4
384.17712	0.7
384.61026	0.4
514.78741	0.4
547.98846	0.4
553.24042	0.4
634.22150	0.4
645.19183	0.6
761.18811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01373	22.4
61.98830	20.7
69.03451	2.1
71.01383	14.1
71.52186	1.5
78.95910	2.6
81.03466	3.7
83.01353	2.1
83.05018	21.1
83.05487	1.5
85.02965	2.2
88.98805	1.5
89.02435	4.9
96.96062	1.5
97.02934	3.3
97.06579	1.5
101.02435	8.0
108.72288	1.6
109.06580	3.1
111.08131	8.2
113.02463	4.9
115.00359	4.9
121.06539	1.3
125.09682	1.7
133.01443	4.3
133.02965	3.6
134.03751	1.4
135.08176	7.1
137.09712	4.3
151.11270	1.3
152.99638	1.9
161.04546	3.5
163.07623	3.1
163.11273	2.0
165.12813	3.0
169.12355	6.2
171.10248	10.3
177.01924	3.4
178.02719	1.7
179.03395	1.8
181.08693	100.0
182.09044	5.9
186.60165	1.4
197.11827	36.4
197.13577	2.5
198.12105	2.7
199.09741	9.6
199.13446	2.4
209.11809	38.5
211.13446	7.5
212.13956	1.3
219.17715	1.4
227.12903	8.0
235.08217	4.9
247.20723	1.7
253.09247	28.6
254.09663	1.9
263.16428	2.6
281.17484	11.3
291.19617	31.8
291.22662	2.4
292.20007	3.1
293.21207	1.3
295.22943	2.2
309.20685	79.6
310.21085	7.7
325.54416	1.2
417.17480	1.5
429.26447	1.5
527.28271	1.3
545.29651	3.4
550.22180	1.3
573.67578	1.4
580.87451	1.3
759.41010	7.8
760.41058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.2
61.98826	100.0
71.01356	6.2
71.51101	5.7
78.95900	43.2
80.96508	8.0
88.30190	2.6
95.24934	2.9
96.96059	3.2
96.96919	3.4
149.93811	3.2
152.99548	22.0
209.11835	36.4
227.12863	15.0
235.08104	4.7
253.09248	6.2
277.21689	59.9
278.21906	7.5
293.21112	7.8
311.22238	10.4
447.21545	16.4
465.22385	3.8
511.14044	2.7
513.72253	3.3
759.29517	5.0
759.43518	40.8
760.43585	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	759.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98825	100.0
62.98519	0.6
63.33523	0.5
71.01391	1.4
71.44341	0.5
78.95897	7.7
80.96525	1.1
81.24173	0.5
82.52782	0.4
96.96955	1.0
103.55986	0.5
104.09151	0.5
152.99573	4.5
171.10304	1.3
195.13992	0.5
197.11801	3.1
198.12236	1.3
201.11107	0.5
209.11780	8.1
227.12883	2.3
250.18884	1.0
253.09331	1.1
253.21559	0.5
277.21671	5.1
278.22092	1.0
279.23489	0.9
293.21078	0.6
295.22818	1.3
311.22437	1.4
445.20770	0.9
447.21729	1.8
457.93640	0.5
497.13251	0.5
513.21631	1.0
521.37695	0.5
521.71118	0.6
523.27307	1.1
759.44086	5.8
759.80658	0.9
760.43976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98525	0.2
70.24104	0.3
70.24493	0.4
71.01390	0.2
78.95905	0.8
79.95723	0.2
80.96519	0.5
97.72399	0.1
100.62868	0.1
101.02439	0.1
105.85347	0.1
152.99582	0.5
159.77402	0.1
165.01865	0.2
171.10362	0.3
277.21844	0.4
278.22098	0.3
279.22620	0.2
295.22806	0.2
325.72562	0.1
407.59628	0.1
447.21582	0.2
449.57541	0.1
486.56348	0.1
506.11163	0.2
513.21735	0.5
521.71661	0.2
522.22278	0.4
523.27155	0.1
716.25476	0.1
758.44019	0.3
759.30420	0.9
759.44885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
69.22951	2.1
71.01379	1.2
73.02970	0.3
78.02953	0.2
78.95907	1.9
79.95741	0.3
80.96520	1.1
83.71584	0.3
115.00400	0.3
116.92847	0.6
141.36311	0.2
150.53737	0.3
152.99577	1.1
171.10295	0.8
174.00813	0.3
197.11833	0.4
211.13292	0.3
277.21756	1.1
278.22107	0.8
293.21164	0.4
308.45645	0.2
311.22171	0.5
397.95874	0.3
463.44983	0.2
513.21582	1.2
522.21838	0.4
540.15491	0.3
553.45966	0.3
735.94031	0.3
758.43854	0.7
759.30127	1.9
759.45142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98818	1.8
71.01369	3.8
73.33299	0.8
93.03438	1.6
95.63219	0.9
109.02937	4.9
113.02421	3.7
115.00349	3.4
120.45032	0.9
121.02944	2.7
122.03741	6.7
123.04536	8.7
133.01416	5.3
133.02940	4.3
134.03688	3.4
135.04475	3.0
136.01665	3.2
137.02454	2.1
146.03699	4.1
147.04485	3.1
148.05261	2.1
149.02431	12.6
149.06026	1.9
150.03209	48.4
151.04005	30.4
152.04231	1.2
160.01773	1.0
161.02382	2.6
161.06065	2.3
163.03909	0.9
164.04788	5.4
165.05556	45.8
166.05954	2.3
176.04704	1.2
177.01886	1.7
178.02545	1.6
179.03494	2.4
179.07104	17.1
180.04268	4.1
181.05049	12.4
191.03481	3.9
191.05423	1.1
191.07091	3.8
193.05014	3.7
194.05699	1.2
195.06578	8.9
205.05049	3.2
206.05727	2.0
211.13411	2.1
220.07317	1.8
225.05536	1.5
235.06070	1.1
237.05560	2.5
238.06493	1.6
250.06361	1.3
251.07022	1.2
253.05029	2.0
253.08760	1.1
254.05827	1.5
263.07095	1.3
264.04095	1.7
265.04950	1.9
266.05817	1.4
267.03064	4.5
267.06525	1.5
269.08206	1.6
278.05768	1.6
279.06552	2.6
280.07581	1.0
281.04526	5.1
281.07813	1.5
282.05368	4.6
283.05954	1.4
292.07324	1.3
293.07986	1.4
294.05438	2.2
295.06012	2.7
295.09668	2.7
296.06876	6.2
296.09766	1.2
297.07629	6.7
298.08438	1.3
308.06827	2.4
309.04022	2.3
309.07635	4.8
310.08194	1.5
311.09125	5.8
312.10001	4.5
313.10678	1.1
322.04764	2.0
323.05460	1.8
324.06354	9.0
324.09952	1.4
325.03656	1.9
325.07074	1.9
326.11444	1.8
327.12296	2.4
327.15863	1.2
336.06290	3.0
337.07187	10.1
338.07935	3.7
339.08789	9.8
340.05579	2.4
340.09271	1.7
341.06442	2.9
351.08716	3.9
352.09659	4.9
353.06610	9.4
353.10269	1.7
354.07220	3.6
355.08047	7.3
356.08893	9.2
368.08948	14.9
369.09702	9.3
370.10501	9.5
371.11270	15.9
372.11575	2.2
379.08078	1.4
383.11313	16.8
399.10809	6.2
400.11368	2.7
401.12244	5.9
413.12225	1.9
425.12466	7.6
475.17291	1.0
519.16510	2.7
549.18036	5.3
563.19025	1.8
579.18658	2.1
581.25781	2.8
591.19177	1.4
597.19714	100.0
598.19977	19.9
625.24689	4.1
639.20801	14.6
640.21368	3.2
643.25916	2.0
719.59595	1.2
759.24811	26.9
760.25195	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	758.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73536	0.1
54.45406	0.1
59.01364	0.2
61.98828	100.0
62.98538	0.3
69.98253	0.2
69.98660	0.3
78.95914	0.1
80.96506	0.1
109.37200	0.1
111.40521	0.1
144.46103	0.1
152.99608	0.2
177.01888	0.1
178.02536	0.1
201.11296	0.1
209.11787	0.2
210.12155	0.2
250.65968	0.1
273.27667	0.1
277.21780	0.1
289.91165	0.1
311.22650	0.1
410.79810	0.1
633.38751	0.1
758.43939	0.2
780.25696	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	756.381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44268	0.1
59.01378	0.9
61.98828	100.0
62.98550	0.2
63.22117	0.2
63.71013	0.2
67.20628	0.2
68.99577	0.5
71.01382	3.7
73.02940	0.2
75.81245	0.1
78.95909	0.5
79.85435	0.2
80.96523	0.3
83.05042	0.3
87.00893	0.2
89.02491	0.2
97.02953	0.2
101.02492	0.2
112.98578	0.5
113.02415	0.2
125.09783	0.2
152.99568	0.5
171.10260	2.7
181.08734	0.2
197.11707	0.2
199.09792	0.3
201.11307	0.4
207.10332	0.5
209.11833	3.5
210.12189	1.5
215.12915	0.2
225.11493	0.3
226.11682	0.2
227.12894	0.2
235.08330	0.3
249.18588	1.6
250.18898	1.2
253.09329	0.7
277.21735	3.8
278.22073	0.6
293.21393	0.2
311.22354	0.2
456.82220	0.2
463.20715	0.2
756.41119	0.5
757.43127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98827	100.0
62.98538	0.2
70.06186	0.2
70.06526	0.7
71.01376	0.5
73.69178	0.2
78.95509	0.2
78.95898	1.0
80.96522	0.6
83.05039	0.4
85.28889	0.2
87.00870	0.4
88.98792	0.2
116.92884	0.4
127.63232	0.2
130.52574	0.2
134.26620	0.2
152.99622	0.5
178.33929	0.2
181.08678	1.4
182.09062	0.3
197.11766	0.2
207.10287	0.2
209.11873	1.5
225.00726	0.2
227.12943	0.2
235.08241	0.2
251.20296	0.2
253.09143	0.3
277.21735	1.2
278.22028	0.9
756.39630	1.3
757.42151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	1.4
66.23188	0.4
70.69968	0.9
75.69192	0.4
79.82775	0.5
83.01402	0.8
107.01400	3.0
108.02178	1.2
109.82322	0.4
119.05106	0.4
121.02912	1.1
134.40747	0.4
135.00897	0.8
148.01675	1.7
151.00351	8.1
163.00325	1.3
164.01105	0.8
178.99861	4.6
215.03470	1.0
216.04210	0.8
226.02679	1.5
227.03476	2.6
239.03227	0.6
243.02951	10.0
244.03445	1.4
254.02087	2.3
255.02950	28.3
256.03342	2.3
271.02444	58.9
272.02942	6.3
273.03964	0.7
283.02347	0.6
299.01938	1.5
300.02701	100.0
301.03241	17.6
302.03992	0.6
343.04333	0.8
348.46555	0.5
500.81100	0.5
757.18213	63.5
758.18634	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	758.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
56.65507	0.2
57.03434	0.2
59.01373	1.7
61.98826	100.0
69.51830	0.9
71.01378	2.9
72.99314	0.2
73.02954	0.6
83.01385	0.3
85.02938	1.0
86.00079	0.2
87.00887	0.5
89.02460	0.5
89.06135	0.1
95.01424	0.2
96.02824	0.2
99.00847	0.2
101.02432	1.8
105.03462	0.4
110.64337	0.1
113.02446	0.7
115.00359	0.5
119.03487	0.2
121.90458	0.1
126.29181	0.1
133.01440	0.7
133.02939	2.1
134.03748	0.5
135.04517	0.3
137.02437	0.5
139.04018	0.2
161.04602	0.2
177.01880	1.3
178.02663	0.8
179.03482	0.4
182.19368	0.1
191.05608	0.3
202.77655	0.1
211.13383	0.5
327.15894	0.2
343.82962	0.1
360.86908	0.1
447.22263	0.3
492.93329	0.2
528.28143	0.1
563.24805	0.2
581.25983	0.7
595.38342	0.3
596.38635	0.3
625.24994	1.9
757.43945	2.1
758.44067	7.3
759.31244	0.2
759.44269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71325	0.7
59.01376	12.3
60.58995	0.7
61.19827	0.7
61.98827	35.6
68.99569	1.0
71.01369	3.8
71.51258	1.0
73.02934	1.1
78.95915	2.2
78.98600	1.0
79.95724	1.4
80.96517	8.0
83.01373	2.2
83.05029	11.2
84.02158	1.0
87.00869	3.7
89.02427	1.6
94.98078	0.8
101.02424	2.8
105.29807	0.7
109.06590	1.6
112.98566	1.6
113.02451	1.6
114.54546	0.8
133.61041	0.8
135.08130	2.9
137.09694	1.5
143.86983	0.8
161.04517	1.6
163.07687	0.9
164.98569	1.6
181.08696	61.4
182.09027	2.8
199.09720	6.0
209.11787	6.9
215.12764	1.2
225.00653	2.4
226.84132	0.8
227.12785	2.8
235.08177	4.6
240.88766	0.8
249.18587	4.9
253.09302	10.3
254.09563	1.0
266.42392	1.0
277.21704	100.0
278.22058	10.4
309.20789	1.3
317.94739	0.8
335.98849	0.8
362.25458	0.9
372.40768	0.8
463.21747	1.3
631.01819	0.9
755.38965	13.4
756.39264	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	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
55.11152	0.4
57.03442	0.6
59.01375	11.1
61.98827	2.5
69.03445	0.7
70.99180	1.2
71.01376	4.8
73.02924	0.7
80.02670	1.4
81.03445	1.0
83.01373	0.8
83.05020	4.8
84.83222	0.4
85.02947	1.1
87.00842	1.1
88.86295	0.4
89.02440	2.5
95.05003	0.6
96.96008	0.4
97.02959	2.0
97.06603	1.0
101.02453	2.7
109.06578	0.9
111.08151	2.3
113.02430	1.7
113.99419	0.4
115.00345	0.6
116.92844	0.9
125.06034	0.7
125.09717	0.6
133.01408	0.8
135.08167	0.7
137.09702	0.8
145.04941	0.5
161.04568	2.1
161.09816	0.4
163.11259	4.1
164.11668	0.4
165.12854	3.1
169.12309	1.5
171.10246	5.0
179.05609	0.7
179.14374	0.5
181.12318	1.5
183.13890	0.5
185.11855	0.5
191.10828	0.8
195.13867	0.7
197.11830	11.5
198.12190	0.6
199.13345	1.4
207.10281	1.2
209.11807	100.0
210.12170	6.1
211.13399	3.9
223.13327	1.2
225.11292	2.8
227.12863	14.4
228.13268	0.9
229.14543	0.4
235.08229	3.3
247.20634	1.0
251.16403	0.4
253.09248	11.9
254.09673	0.7
263.20224	0.6
273.18588	1.1
275.20178	0.6
280.97781	0.4
289.17966	0.5
291.19635	16.5
292.19958	1.8
293.21228	3.4
294.21652	0.6
307.19336	0.6
309.20685	32.5
310.21048	3.4
407.26111	0.4
443.17838	0.3
445.20792	1.1
461.20493	0.4
501.31665	0.5
545.29718	1.1
737.40912	0.5
755.41309	1.2
756.41473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.00593	0.4
59.01375	6.5
61.98834	1.0
69.03451	0.7
69.78275	1.1
71.01382	3.6
71.01772	0.2
72.99270	0.2
73.02943	0.6
76.01941	0.2
80.02676	0.9
81.03445	1.0
83.01389	0.7
83.05020	5.0
83.05492	0.4
84.02160	0.9
85.02914	1.1
87.00866	0.6
89.02443	2.2
93.03465	0.2
95.01363	0.3
95.05022	0.8
96.95996	0.2
97.02943	1.7
97.06577	0.3
99.00866	0.3
101.02440	3.2
109.06579	0.7
111.08149	3.4
113.02447	1.8
115.00427	0.2
116.92857	0.4
119.03495	0.6
119.12473	0.2
123.98109	0.2
125.02386	0.2
125.06049	0.6
125.09709	0.8
127.07681	0.3
127.11308	0.2
127.76363	0.2
133.01376	0.2
135.08119	0.6
137.09694	0.7
139.11272	0.2
143.03557	0.3
145.05096	0.3
147.11729	0.3
149.04526	0.2
151.11275	0.3
153.09192	0.2
153.12782	0.4
161.04555	1.6
163.11278	4.5
164.11559	0.3
165.12833	3.2
169.12361	1.3
171.10254	2.3
179.05582	0.7
181.12323	1.5
183.13922	0.4
185.11830	0.4
191.10757	1.0
193.12289	0.5
193.15956	0.4
197.11815	17.9
198.12199	1.2
199.13356	1.4
201.11351	0.3
207.10291	0.5
209.11806	100.0
210.12149	7.1
211.13379	3.3
212.13637	0.3
223.13422	0.7
225.11322	0.8
226.11661	0.2
227.12869	13.9
228.13145	0.9
229.19452	0.2
235.08202	3.4
247.20638	0.9
249.15057	0.3
253.09256	13.5
254.09586	0.8
263.20175	1.1
265.18082	0.6
273.18549	0.8
291.19641	18.0
292.19940	1.9
293.21164	1.3
309.20673	41.1
310.21039	3.9
359.07642	0.2
398.81094	0.2
404.20728	0.2
433.20654	0.3
445.20667	1.5
463.21881	0.4
501.31961	0.4
519.33221	0.4
545.29803	1.1
549.38898	0.2
621.29431	0.2
755.41718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68628	1.1
59.01379	4.5
61.98829	19.2
71.01376	18.4
71.52396	1.4
71.53725	0.8
72.01721	1.1
72.99300	1.8
73.02942	2.9
75.00858	0.9
80.96528	1.4
84.84325	0.9
85.02924	2.3
85.14852	0.9
89.02428	2.0
96.96013	3.0
101.02431	3.7
113.02459	2.5
115.00371	17.6
133.01392	6.9
133.02940	2.0
134.03687	1.3
135.04494	1.9
135.08188	1.2
135.25233	0.9
137.09723	6.2
148.05281	3.2
155.10773	100.0
156.11127	4.9
161.04555	2.7
163.07626	4.6
163.91937	1.0
178.02693	2.0
179.03474	2.2
199.09740	28.7
200.10115	1.9
209.11867	4.3
210.12166	1.5
556.63922	1.0
639.26514	82.4
640.26898	16.6
755.29767	2.4
755.42493	6.5
778.15015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.5
61.98802	4.4
71.01357	8.7
71.50409	1.8
72.99319	2.3
75.00866	21.3
78.95867	2.1
93.03455	2.0
96.95998	2.7
101.02418	2.6
114.93372	7.6
115.00343	6.8
125.02409	3.2
133.01392	6.2
135.04475	3.7
165.01848	8.2
179.03477	6.4
179.43468	2.1
185.73860	2.2
187.02370	4.2
188.65378	2.0
224.69518	2.2
227.03395	6.4
255.02977	36.6
256.03534	4.3
271.02435	18.1
271.05856	3.4
283.02472	83.3
284.03046	16.4
285.03833	4.3
298.04803	60.7
299.01886	36.5
299.05444	28.5
300.02359	5.1
314.04361	28.9
315.04971	4.1
639.22681	2.1
660.24023	2.3
755.20337	100.0
756.20563	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	754.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.4
61.98828	100.0
64.94338	0.2
69.68222	0.2
70.05877	0.7
70.06255	0.4
78.83261	0.2
78.95916	0.2
80.96516	0.6
97.23686	0.2
106.61243	0.2
126.51025	0.2
152.99632	0.2
199.13460	0.8
209.11787	0.5
223.13466	0.3
252.36827	0.2
255.23219	0.3
267.16602	0.2
277.21844	0.5
342.16061	0.2
348.70847	0.2
754.38849	0.3
755.39087	1.1
788.94391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
63.02421	0.3
64.09126	0.2
65.00057	0.2
65.00349	0.8
70.55310	0.2
71.01385	1.1
71.28677	0.4
89.00357	0.2
89.02449	0.8
93.03423	1.5
97.02962	0.3
98.92038	0.2
101.02451	0.6
104.01285	0.2
104.75291	0.2
107.01395	0.5
110.00113	0.5
115.00349	0.2
117.03497	0.4
119.03487	0.3
134.00082	0.2
136.98846	0.3
151.00349	1.0
159.04599	0.5
163.00334	0.7
165.01920	4.4
171.04514	0.3
178.99785	0.3
179.05598	0.7
182.03683	0.3
183.04478	1.7
185.02464	0.3
187.03976	0.5
193.01427	0.6
211.03963	2.5
212.04617	0.5
222.27452	0.2
226.02797	0.4
227.03488	7.7
228.04005	1.2
239.03481	0.6
240.04196	0.8
243.06554	0.8
254.02309	0.4
255.02968	48.8
256.03445	5.9
269.04471	0.8
271.06104	4.4
272.06509	0.4
283.02454	100.0
284.03021	15.9
285.03674	0.7
298.04800	66.3
299.05508	31.0
299.09241	0.4
300.05923	2.2
307.26337	0.3
335.12350	0.3
341.06665	1.4
353.06461	0.3
407.07462	0.4
516.28632	0.3
623.16559	0.3
660.46246	0.2
755.20319	63.8
756.20618	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	754.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.45644	0.2
61.98828	100.0
69.78085	0.3
70.66405	0.2
71.01395	1.2
71.51818	0.3
71.52245	0.2
80.96521	0.6
89.02452	0.4
96.96025	0.8
101.02486	0.4
111.66417	0.2
115.00393	0.9
115.92077	0.3
133.01453	1.0
141.41733	0.2
168.07829	0.2
168.12389	0.2
169.22522	0.2
171.10330	0.4
178.02718	0.4
179.03476	0.4
209.11903	1.0
211.13550	0.3
276.92532	0.3
309.21021	0.4
373.30844	0.2
691.91644	0.2
711.39795	0.5
754.33893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.1
59.44557	1.7
61.98824	12.3
64.94843	1.5
65.25175	1.3
65.62930	1.3
67.52806	1.4
71.01366	6.5
71.50834	1.7
78.95892	1.7
80.02666	1.4
81.03442	1.9
83.05025	4.8
89.02441	3.5
97.02942	5.3
99.00870	1.8
101.02428	5.5
107.05051	1.7
107.96858	1.4
109.06593	37.6
113.02444	3.9
121.06622	2.8
135.08156	4.4
142.02759	2.2
152.99596	1.6
161.04514	2.6
161.09743	2.3
163.11288	18.0
181.12337	5.4
189.09265	2.7
207.10251	100.0
208.10623	7.2
209.11845	4.3
225.11310	37.4
226.11610	1.9
235.08130	3.3
249.18575	71.6
250.18864	5.5
253.09285	15.5
277.21661	4.5
291.19681	2.1
307.19186	1.6
309.20709	4.6
343.67328	1.4
443.19382	8.1
461.20142	11.4
462.20547	1.5
595.81006	1.6
600.45154	1.7
675.36877	2.8
693.38403	32.2
694.39081	9.5
753.40393	7.2
754.39441	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	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.6
61.47215	1.0
61.98828	21.3
71.01392	5.3
71.51255	1.6
78.95911	1.7
80.96472	1.1
83.05010	1.6
87.00872	1.1
89.02441	2.4
97.02930	6.9
97.06614	1.5
99.00881	8.3
101.02441	2.9
108.64348	1.0
109.06584	2.5
110.03770	1.2
110.86298	1.0
113.02449	2.3
119.05028	1.3
123.04482	1.1
125.09754	2.3
133.01482	1.0
135.08189	1.6
136.05273	1.4
142.02757	1.9
152.99597	1.3
163.11267	9.6
179.07103	1.6
181.12332	18.7
197.08150	2.1
197.11812	1.5
207.10239	48.4
207.12213	2.3
208.10587	4.0
209.11700	1.7
225.11307	100.0
226.11676	8.3
235.08266	2.8
243.12332	10.2
249.18565	89.8
250.18896	8.1
253.09233	3.0
277.21729	8.0
309.20786	1.8
344.72794	1.1
443.19168	4.4
461.20264	46.6
462.20413	6.5
485.27423	1.7
693.38495	33.1
693.50287	2.2
694.38849	8.8
753.41510	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	753.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95140	1.4
58.00568	1.4
59.01387	8.9
61.98829	13.6
69.03437	3.4
70.65005	4.2
71.01396	6.8
71.05026	2.2
73.38227	1.4
81.03416	1.4
83.05026	1.5
87.00871	2.1
89.02431	4.3
93.81372	1.3
94.96941	1.6
97.02962	2.0
100.05873	1.5
101.02430	5.7
113.02436	4.4
119.03491	1.7
125.09707	4.1
145.10211	1.9
145.59163	1.3
151.11218	2.5
153.12802	1.5
161.09659	3.2
169.12326	2.4
171.10289	3.3
177.01883	2.0
179.10780	6.0
195.13901	3.9
197.11806	73.0
198.12151	4.2
207.10274	3.3
209.11812	37.8
210.12082	2.0
211.13322	1.9
223.13516	1.8
225.11317	7.6
227.12863	5.7
231.34334	1.4
241.10851	3.4
245.19002	2.5
253.09201	7.2
275.20032	4.2
289.18024	6.3
290.18460	1.8
291.19830	3.4
293.21243	11.0
307.19006	9.3
309.20822	2.1
390.64639	1.6
401.14874	1.7
459.19046	1.7
565.04529	1.7
620.53900	1.7
627.12640	1.6
753.40613	100.0
754.41095	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
61.98821	1.3
71.01382	1.2
72.99309	2.5
73.02963	0.3
75.00869	100.0
76.01208	1.1
89.02438	1.2
98.20786	0.7
101.02439	0.8
107.34913	0.3
113.02457	0.5
116.92845	0.4
125.02459	0.6
127.61681	0.4
140.67067	0.4
209.11696	0.4
225.11342	0.6
235.08284	0.7
277.21677	2.7
397.13461	6.1
415.14713	1.7
648.50500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03437	1.7
59.01372	16.9
61.98823	3.8
68.99828	1.5
70.41553	2.4
71.01375	23.9
72.01715	0.8
72.99306	2.6
73.02936	3.3
75.00869	20.8
80.75383	0.7
82.60911	0.7
83.01373	2.8
85.02940	14.4
87.00856	2.4
89.02438	6.2
95.01374	4.4
99.00871	11.9
101.02436	8.5
113.02436	9.1
115.00333	1.1
119.03480	2.1
139.00241	0.7
140.26085	0.7
157.01428	1.2
161.04533	1.3
197.11739	0.7
207.10237	1.4
209.11601	0.8
223.13374	0.9
223.61942	0.7
225.11264	1.7
249.97343	0.8
253.09357	1.0
261.50977	0.7
307.25790	0.7
309.20651	0.7
333.24530	0.8
345.51837	0.7
481.32825	1.2
751.39020	100.0
752.26453	1.5
752.39490	24.7
752.53125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.6
61.98826	5.2
69.03467	1.2
71.01379	3.8
78.95882	1.6
80.96500	2.4
85.02940	1.0
89.02449	2.1
101.02439	2.8
107.48749	0.8
109.06528	1.0
113.02463	2.0
115.39099	0.9
155.98740	0.9
161.04465	1.2
167.10710	3.0
178.37105	0.9
179.05566	1.6
179.10655	1.0
179.14377	3.5
184.87018	0.9
195.13919	9.6
196.14255	0.9
205.12312	9.1
223.13364	100.0
224.13751	7.2
235.08263	2.3
249.18564	62.5
250.18855	5.5
253.09267	7.3
276.07428	1.1
441.21118	2.8
442.22018	0.9
459.22247	20.7
460.22568	2.9
561.61755	1.0
628.31769	0.8
691.40405	2.9
751.38086	3.9
752.39471	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	751.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71818	0.1
59.01155	0.2
59.01382	1.8
71.01386	1.5
71.51438	0.2
72.99299	0.3
79.95734	2.0
80.96504	1.0
85.02935	0.6
86.66029	0.1
89.02431	0.7
92.14155	0.2
95.95212	0.8
96.96004	47.0
97.95939	0.2
98.95560	0.2
101.02427	0.8
113.02422	0.3
115.00359	0.7
122.97578	0.9
133.01392	0.6
135.04498	0.3
138.97069	1.1
150.97087	1.1
164.98628	0.3
177.01927	0.2
180.98067	0.7
191.05641	0.2
198.99132	0.4
219.44272	0.2
225.00877	0.3
241.00221	2.3
249.11304	0.3
295.88220	0.2
341.09064	100.0
342.09387	7.9
342.13632	0.3
343.09009	1.0
365.18060	0.3
481.40988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01378	20.9
67.89340	0.8
70.42472	2.8
71.01383	16.0
73.02927	1.9
73.73080	0.8
87.00837	1.3
89.02459	1.4
96.96014	1.9
101.02438	2.7
113.02426	1.6
115.00357	16.7
123.52940	1.1
133.01433	10.8
135.04486	3.2
139.11287	12.4
161.02338	1.1
165.01888	1.5
179.03487	2.3
180.99651	1.2
181.12314	8.1
183.10254	22.0
184.10605	1.7
191.05637	2.1
199.13391	5.7
225.11299	6.4
243.12352	100.0
244.12698	7.3
275.09320	1.9
300.83313	1.1
313.98947	7.6
314.99231	1.2
329.01294	12.3
330.01788	1.3
347.02234	1.5
359.13425	30.6
360.13736	3.5
403.19843	2.7
510.70285	1.0
635.16724	1.2
671.12695	14.4
672.12976	2.8
751.09210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31558	4.3
59.01377	6.9
61.98823	22.4
71.15084	11.0
89.02403	6.2
95.88596	4.6
119.55402	4.9
155.07109	7.5
171.10316	8.6
181.08694	52.3
223.13329	10.7
225.11250	30.1
226.11610	6.4
235.08138	9.8
253.09221	14.5
265.14859	5.4
277.21698	100.0
278.22000	9.1
282.21793	4.8
453.99643	5.0
490.47180	5.1
513.30786	13.8
693.38293	11.9
749.38489	33.6
750.37262	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	749.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07888	0.4
59.01373	0.6
61.98851	0.5
63.96227	1.3
66.46540	0.4
69.03433	0.5
71.01380	7.5
71.98212	0.4
73.02944	1.9
78.95911	1.5
78.98587	5.0
79.95730	12.6
80.96511	72.7
81.03444	1.1
81.95314	0.6
82.96086	2.3
85.02934	2.7
87.00873	3.1
92.81300	0.4
94.98073	14.5
96.96017	1.4
97.02943	1.6
101.02422	2.5
106.98078	3.3
122.97578	4.3
125.02419	3.0
127.04008	1.1
134.97578	5.7
136.99127	1.2
148.99139	7.1
152.98607	5.7
152.99608	0.7
164.98608	11.4
165.99052	0.5
191.41322	0.4
194.89970	1.0
196.89413	1.0
206.99648	2.7
211.13327	1.6
225.00723	18.4
226.00987	0.7
255.23128	2.4
256.23682	0.7
349.83279	0.5
454.53876	0.5
493.17694	2.2
537.26978	1.2
538.28253	0.6
749.41302	100.0
750.41650	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96922	7.6
59.01368	11.2
61.98828	65.6
70.33417	11.5
70.33749	19.9
71.01374	20.5
98.19949	9.9
201.11299	57.6
202.11626	8.1
209.11813	100.0
209.56339	8.6
210.12050	8.8
227.12848	16.7
249.18533	96.0
253.09247	25.7
437.20334	10.7
445.20670	29.7
669.38354	16.4
749.38495	49.3
750.39240	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	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03434	1.7
58.00594	5.3
59.01376	95.9
60.01712	1.0
61.98824	9.2
67.01874	0.6
69.38730	2.4
69.39143	2.3
70.40214	0.6
71.01378	75.2
72.01719	1.1
72.99294	6.4
73.02962	1.4
74.65985	0.6
83.01380	2.4
84.02145	1.2
85.02460	1.1
85.02951	13.5
86.03300	0.8
87.00864	6.2
89.02440	100.0
90.02782	1.7
93.03421	1.4
95.01397	4.2
97.02985	0.9
98.20654	0.8
99.00935	0.7
99.71182	0.6
101.02438	39.0
108.02167	1.5
109.02937	0.9
113.02441	31.9
115.00365	1.5
117.03443	1.5
118.52187	0.6
119.03493	40.7
121.02932	3.5
122.03736	4.1
123.00854	0.8
123.04522	0.7
125.02444	1.3
126.96347	0.6
131.03491	4.2
133.01387	2.4
133.02933	1.5
134.03717	1.0
135.04558	3.0
136.01663	16.3
137.02391	2.8
137.03418	0.6
143.03482	8.2
145.01877	1.0
145.02943	9.4
146.03641	2.9
147.04501	1.5
149.02417	3.4
149.04547	3.9
150.03217	18.4
151.00348	5.2
151.04005	15.4
152.04390	0.9
161.02451	6.4
161.04550	9.0
161.05951	1.0
162.03218	34.4
163.03624	2.2
164.04684	1.3
165.04207	1.0
165.05554	19.1
166.02692	12.7
166.05798	1.2
177.01973	0.7
177.05562	21.9
179.03494	1.5
179.05597	24.4
180.04146	3.4
180.05737	1.1
181.03476	0.9
181.05051	17.3
182.05244	1.0
189.05542	0.7
190.06339	0.8
191.03632	0.7
191.05501	2.6
195.06613	24.3
196.06850	1.1
201.11311	1.0
202.08040	0.6
205.79736	0.6
209.11754	1.9
221.07991	0.8
239.31065	0.7
253.09308	0.7
266.11713	1.5
342.10895	0.8
347.18506	0.7
357.08951	1.1
357.12463	3.4
372.11655	2.1
387.14517	13.9
388.14490	2.0
497.27252	0.8
547.19653	10.5
548.19373	2.9
582.61536	0.8
583.21838	4.7
584.21539	0.9
600.17633	0.7
621.29535	0.8
682.32446	5.6
683.32141	1.5
745.33893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	10.2
60.07907	7.7
61.98832	100.0
63.45905	7.4
67.39014	8.2
71.01389	13.3
71.51633	14.3
78.95911	13.1
80.96516	14.4
92.92804	28.2
101.02449	9.3
109.06618	9.4
126.01270	7.1
130.89880	6.9
131.74979	8.1
163.11307	11.6
171.10286	13.7
179.11372	7.4
199.09785	36.5
207.10326	48.8
225.11293	36.0
249.18568	75.3
253.09315	17.4
321.63940	8.4
324.12604	9.1
417.17703	9.5
424.36865	8.8
435.18378	11.6
452.01221	8.4
461.20197	20.1
520.73407	9.5
574.48138	8.1
667.36816	78.3
668.36414	9.4
693.38977	40.5
694.38159	18.8
747.37451	37.4
747.49524	10.1
748.36859	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75586	0.5
59.01374	3.3
59.44354	0.6
61.98832	3.1
63.18628	0.5
65.38625	0.6
69.03475	0.8
70.59859	1.6
71.01376	4.2
73.02953	0.6
79.23249	0.6
88.98851	0.7
89.02462	1.5
93.03455	5.3
95.05017	0.8
96.96021	0.7
101.02475	1.3
105.03469	1.0
108.02145	0.8
109.02979	1.3
113.02462	0.8
115.00350	3.1
119.03493	0.8
120.01240	13.2
121.02954	12.5
122.03752	13.9
123.00888	2.0
123.04487	2.0
124.01665	1.3
132.02145	1.4
133.01454	3.2
133.02936	3.2
134.03751	0.8
135.04517	11.5
136.01659	21.6
136.04968	0.9
137.02490	4.1
137.06122	0.8
139.04024	0.8
145.03015	0.6
147.04504	1.1
149.02440	29.2
149.06070	1.4
150.03220	100.0
151.00385	5.5
151.04015	26.4
152.01175	1.7
152.04457	1.1
159.04517	0.6
160.05325	1.3
161.02446	1.4
161.06114	1.3
162.03200	1.4
163.03947	3.0
164.04771	7.8
165.05559	99.2
166.02704	15.7
166.05876	5.4
167.03485	3.2
172.05360	1.5
174.03267	1.1
175.03952	4.7
177.01933	1.1
177.05560	2.0
179.03502	1.8
179.07112	0.7
180.04265	6.2
181.05060	24.8
182.05283	1.0
189.05562	3.7
190.06326	7.4
191.05554	2.4
192.05997	0.8
195.06609	61.9
196.06923	3.7
205.08626	1.9
221.08147	1.6
239.03252	0.7
266.05814	1.1
282.05374	1.6
284.06326	0.7
296.07419	0.7
297.07562	1.3
315.08682	1.4
324.01749	0.6
326.11401	0.9
329.10260	3.0
341.10220	0.6
341.13840	0.6
342.11005	1.9
355.11719	1.6
356.12430	2.6
357.09665	5.2
357.13385	7.9
358.09988	0.8
358.13947	0.9
369.13266	0.9
372.12103	4.4
373.12561	2.0
386.13675	2.0
387.14474	51.9
388.14774	7.1
395.60977	0.7
426.58841	0.7
490.15955	1.2
505.18683	3.8
506.18539	1.3
517.18152	1.0
520.17169	1.0
535.19708	63.3
536.20026	13.4
541.99231	0.6
553.20691	1.9
565.20435	4.0
566.20563	1.1
583.21777	51.7
584.22095	10.5
734.55658	0.6
745.29260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
59.41556	0.7
66.57610	0.7
78.95898	40.2
79.95747	0.7
96.96972	2.5
98.20763	1.5
103.38766	0.7
112.42136	0.6
117.66528	0.7
150.98044	0.9
152.99579	46.0
153.99973	1.2
171.00642	4.3
184.96631	0.7
221.01131	0.7
227.03262	4.9
229.10269	1.0
245.04329	1.3
253.21709	28.5
254.22044	4.1
255.23297	6.6
277.21732	7.8
278.22076	2.5
279.23267	96.4
280.23660	10.4
281.24985	0.8
415.22379	2.7
463.24689	1.1
483.27145	0.8
489.26212	2.0
505.25870	0.8
506.26129	1.9
507.27222	100.0
508.27585	14.7
743.48627	44.8
743.62286	1.4
744.49030	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	745.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10047	0.4
58.35631	0.3
59.01372	2.1
61.98829	6.2
64.87733	0.4
68.92928	0.4
71.01382	10.0
71.51805	0.8
72.99300	1.1
73.02949	1.6
75.00871	0.4
83.01397	0.6
85.02958	1.6
93.03448	0.4
95.01391	1.2
95.73507	0.4
96.96009	0.5
97.02946	0.5
99.00864	0.8
101.02464	0.7
108.02170	40.3
109.02992	7.6
112.87810	0.4
113.02460	1.6
115.00371	8.9
119.88461	0.4
121.02899	0.6
123.00900	0.7
125.02460	0.5
133.01410	3.4
133.02942	1.3
134.03777	0.5
135.04533	2.2
137.02481	0.7
137.09705	2.5
147.04501	0.5
151.04012	0.8
152.01146	80.4
153.01808	5.4
155.10768	28.5
156.11122	1.6
161.04573	1.0
163.04015	3.6
163.07629	0.5
165.05551	0.6
175.04053	0.5
177.01846	1.0
179.03477	1.6
191.05635	1.5
199.09724	5.8
202.65106	0.4
207.02943	1.0
214.09885	0.4
217.87517	0.5
225.92654	0.4
297.06253	0.6
315.07266	2.1
344.70224	0.5
369.54419	0.4
374.14926	0.5
429.10336	9.7
430.10864	1.1
447.11502	0.5
585.22113	2.9
597.22296	0.6
629.20807	100.0
630.21179	17.5
702.81824	0.5
726.98157	0.5
745.21460	3.2
746.21698	0.6
763.83923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	35.8
68.88668	7.9
68.99567	11.4
70.35414	29.4
71.54434	9.6
78.44357	9.6
78.95892	44.7
92.60684	10.7
152.99571	48.0
198.86189	8.7
253.21700	41.3
276.22430	8.1
277.21664	93.2
278.22183	16.0
352.74875	8.8
453.68311	8.2
505.25735	100.0
558.21118	9.2
741.47192	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03451	1.1
59.01375	17.8
61.98821	4.3
67.01884	0.6
69.17709	3.0
69.18136	2.9
71.01376	8.8
71.05014	1.4
72.99315	0.8
73.02962	1.5
78.95911	1.1
80.02677	1.5
81.03441	2.0
83.01384	1.4
83.05019	13.8
84.02165	0.9
85.02949	2.5
85.06623	0.7
85.13680	0.6
87.00901	1.5
89.02464	3.5
93.03420	1.1
95.05026	1.6
96.95998	2.8
97.02950	1.1
97.06581	2.3
98.20646	1.8
99.00859	1.3
99.04486	1.0
101.02435	5.2
107.04992	1.1
109.02962	0.7
109.06578	5.5
111.04533	0.8
111.08154	0.7
113.02437	2.2
115.00360	4.3
115.07613	1.0
116.21795	0.6
119.03506	1.3
123.04525	0.7
123.08157	1.1
125.06056	1.7
125.09707	2.1
127.07669	1.7
127.11284	0.7
133.01425	3.9
133.02962	0.9
135.04532	0.9
135.08171	5.4
137.09746	1.7
139.07697	0.9
141.09174	0.8
143.07153	4.1
145.05048	0.7
150.30415	0.7
153.09219	6.9
155.10803	0.9
157.08667	1.1
161.04546	2.3
163.07646	1.6
163.11357	3.9
165.12839	2.0
169.08733	1.7
171.10258	9.2
172.10704	0.6
178.02638	1.7
178.09946	1.0
179.03378	1.1
179.06996	1.1
181.08691	34.1
181.12309	1.4
182.09009	1.7
183.10236	1.8
185.11826	2.3
191.05527	1.1
191.10728	1.9
197.08038	0.7
197.11853	3.7
199.08038	0.7
199.09686	4.0
199.13330	0.7
201.11353	1.1
207.10229	2.1
209.11804	100.0
210.12157	7.3
211.13344	1.7
217.15929	1.2
225.11313	2.7
227.12883	12.5
228.13284	0.7
235.08176	3.6
237.03726	0.6
237.14981	0.8
245.18939	1.0
253.09256	17.8
255.23761	0.6
261.15036	3.2
273.18616	0.9
279.15970	9.9
279.23257	2.2
280.16382	0.9
281.17511	1.5
289.18048	4.0
297.17038	9.5
298.17465	1.4
307.19092	19.7
308.19470	2.0
325.20169	14.3
326.20508	1.5
327.22018	0.9
410.93918	0.7
445.20859	1.6
463.21802	0.8
474.21091	0.8
477.79645	0.6
507.27185	2.2
543.13300	0.7
543.28094	7.7
544.28632	1.3
549.40625	0.8
558.71466	0.7
561.29163	2.5
621.40259	1.6
639.41089	1.7
656.30310	1.2
699.42859	0.9
707.36115	2.5
708.36768	0.9
725.37488	4.7
726.37390	0.9
743.38898	5.8
744.38141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.6
59.01379	5.1
61.98828	2.6
67.32555	0.5
71.01376	4.4
73.02934	1.1
78.95910	1.1
80.02670	1.0
81.03475	1.0
83.01391	0.7
83.05016	3.0
85.02954	1.4
87.00900	0.7
89.02433	2.8
95.05017	0.6
97.06609	0.7
98.20668	1.2
101.02447	3.7
113.02428	2.3
117.07645	0.4
119.03534	0.4
125.09708	1.5
127.11282	1.8
145.05028	0.6
152.99539	0.9
155.10732	0.9
161.04564	1.8
163.11320	2.2
165.09181	0.9
165.12823	1.3
171.10284	1.4
179.05696	0.6
191.10762	0.8
201.11307	39.1
202.11641	1.8
209.11809	87.8
210.12157	5.5
227.12883	10.5
228.13295	0.7
235.08206	6.5
253.09259	14.0
253.21771	0.6
259.20367	0.7
277.21695	100.0
278.22043	9.8
278.41663	0.5
298.89203	0.6
394.79422	0.5
419.19061	0.7
437.20148	0.9
443.31488	0.9
445.21039	1.2
461.32404	0.7
505.25806	1.7
513.30670	1.6
518.21741	0.5
741.43524	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	741.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.00596	0.9
59.01375	2.5
61.98817	0.4
70.01152	1.2
70.02975	0.4
71.01369	1.8
72.99290	0.4
73.02935	0.4
73.21529	0.3
74.02473	1.0
78.95930	0.3
80.02702	1.3
81.02984	0.3
81.03457	1.1
83.05025	4.7
84.02168	1.8
85.02961	0.5
95.05025	0.8
96.95995	0.3
97.06611	0.4
101.02444	0.9
113.02448	0.6
115.00358	0.9
116.03509	0.5
125.06094	0.7
125.09699	3.6
127.11289	4.9
133.01425	2.0
135.04550	0.8
135.08205	0.9
137.09724	0.9
139.11320	0.4
139.39500	0.3
151.00331	0.8
153.09264	0.4
155.10771	2.7
157.12321	0.3
161.04485	0.4
163.11279	4.3
165.09209	2.4
165.12863	2.4
166.02711	2.2
166.13148	0.4
170.22739	0.3
171.10202	1.9
181.05077	3.0
181.12375	0.6
183.10231	1.0
191.05586	0.6
191.10814	1.2
199.09737	2.4
201.11308	92.8
202.11650	5.4
203.08266	1.2
209.11809	100.0
210.12148	6.7
213.60364	0.3
221.06476	0.4
227.12868	44.3
228.13171	3.5
230.43344	0.3
245.09375	4.6
245.13908	67.6
246.09680	0.3
246.14246	5.4
343.21234	0.9
387.10587	0.4
399.14294	0.5
402.13013	0.4
417.15524	2.8
482.99100	0.4
495.29846	0.6
705.57605	0.3
741.26184	0.9
742.25220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.6
61.98827	26.2
69.60708	8.3
71.01373	10.6
73.04961	1.2
80.96504	4.5
81.48196	1.2
83.01347	1.8
83.05016	1.9
85.02946	2.0
87.00864	1.2
89.02449	3.2
89.48531	1.2
93.03481	1.5
95.05000	1.8
96.43442	1.3
96.95994	4.2
98.20629	2.8
101.02433	4.2
105.03427	2.5
109.02845	1.3
115.00359	6.9
121.02893	1.7
133.01393	5.9
133.02969	13.8
134.03725	3.6
135.04495	12.8
137.02458	2.0
137.19757	1.6
163.11275	1.8
171.10214	2.9
177.01871	7.3
178.02625	5.9
179.03502	11.8
191.05542	2.8
209.11813	100.0
210.12164	7.1
211.13522	1.5
225.11322	1.7
227.12854	23.2
235.08147	4.3
241.43044	1.5
253.09271	6.2
327.15848	1.3
445.20819	10.1
463.21585	1.8
473.13113	5.6
505.25381	1.4
581.26282	3.1
625.25012	8.4
637.32538	2.4
655.33447	2.7
673.34094	2.2
741.20837	1.2
741.34253	31.3
742.34772	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	741.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.58381	0.3
57.03462	0.4
58.00592	0.5
59.01376	100.0
60.01720	1.4
61.98835	0.9
69.03448	0.3
69.45838	2.4
71.01376	20.9
72.01734	0.4
72.99300	0.9
73.02942	11.7
75.00858	0.4
83.01382	4.4
85.02940	6.2
85.03398	0.4
87.00879	1.0
87.83164	0.4
88.25665	0.3
89.02440	3.9
89.02866	0.3
93.03474	0.4
95.01395	1.4
96.96017	0.7
97.02959	0.8
99.00890	1.6
101.02437	17.2
109.02937	0.5
111.00935	0.5
113.02442	8.9
115.00375	3.7
119.03454	1.6
119.05003	0.4
125.02434	0.8
131.03532	1.2
131.41104	0.4
133.01433	5.9
134.01833	0.5
135.04544	0.9
143.03529	1.5
145.12276	1.6
149.04547	2.4
155.03513	0.4
159.03006	1.1
161.04547	10.0
161.05908	0.6
163.18167	0.3
179.03511	1.1
187.03986	0.5
187.07666	0.5
191.05623	0.7
202.06389	0.7
203.05597	0.8
209.11960	0.4
221.06760	1.4
231.10287	0.8
271.02545	1.8
275.09351	1.4
276.09714	1.2
277.09973	0.7
283.13565	0.6
289.16559	3.6
290.16965	0.4
299.02008	3.6
303.14728	0.7
307.17596	16.0
308.18036	1.1
311.13055	0.4
314.04306	3.9
315.05042	0.6
326.04272	0.4
327.16116	0.9
339.08728	0.6
349.18646	25.9
350.18936	2.8
581.25873	0.6
584.29150	0.4
625.24640	2.6
626.25122	0.5
741.18018	3.0
742.19189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03452	0.6
58.00615	0.3
59.01376	100.0
60.01710	1.7
66.03938	0.3
70.11420	1.4
71.01380	11.8
72.99309	0.5
73.02946	4.1
76.93069	0.3
83.01392	1.7
85.02941	5.4
87.00854	0.3
87.05614	0.4
89.02441	3.1
95.01392	0.6
96.96020	0.5
97.06035	0.3
97.37492	0.3
99.00871	1.4
101.02438	9.1
102.02783	0.3
108.02188	0.6
113.02444	4.3
115.00421	0.5
119.03518	1.2
130.08739	0.6
133.01416	0.6
135.04581	0.5
138.01958	6.5
143.03516	0.4
159.03032	0.7
161.04553	4.0
179.03304	0.4
179.05630	1.6
179.10796	0.4
194.60985	0.3
205.12373	0.5
208.24966	0.3
222.07663	0.3
269.10263	11.0
270.10782	0.8
300.02798	0.3
311.11334	9.6
312.11761	0.7
385.11487	0.4
385.18799	2.0
399.10745	0.3
416.17728	0.3
741.45502	1.2
747.02075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03445	1.0
58.00581	0.3
59.01376	100.0
60.01713	1.2
71.01378	9.9
71.50606	0.2
72.99315	0.3
73.02940	4.1
83.01385	1.7
85.02941	4.5
87.00886	0.6
89.02450	1.0
95.01407	0.7
95.04998	0.4
96.95999	0.6
97.02944	0.3
99.00919	1.2
99.60611	0.3
101.02434	7.9
107.18285	0.3
113.02450	3.9
115.00381	0.9
119.03548	0.4
123.04546	0.3
125.02451	0.5
125.93849	0.3
133.01436	1.3
133.02971	0.3
135.04489	0.3
138.01970	0.4
143.03523	0.6
147.08095	0.4
147.36034	0.2
159.02988	1.4
161.04544	5.8
166.02716	0.8
169.41139	0.2
177.12915	0.4
179.03545	0.3
179.10764	5.7
180.11157	0.4
181.05000	1.3
187.11292	1.2
191.05647	0.5
205.12315	6.4
206.12680	1.0
223.13441	0.9
239.97531	0.2
255.02855	0.6
269.10275	11.2
270.10703	0.9
275.09167	0.3
284.03302	0.5
285.03964	0.6
311.11331	9.9
312.11841	0.9
341.16171	0.7
355.10321	0.5
385.18845	0.3
391.96909	0.3
410.64819	0.3
417.15503	2.2
547.13910	0.3
741.19629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.5
63.02392	0.8
65.00329	1.2
67.23830	0.5
69.93314	1.9
73.02919	0.4
74.30685	0.4
83.01380	0.9
88.76876	0.4
89.02431	0.6
93.03474	1.0
96.96032	0.9
101.02434	0.9
101.20382	0.4
105.82365	0.4
106.82985	0.4
107.01390	2.6
113.02435	0.7
115.91431	0.4
117.45526	0.4
119.05045	1.3
132.02196	1.1
133.01427	1.4
135.00912	1.0
135.04564	0.6
143.05072	0.6
151.00356	5.0
152.01170	0.6
159.04456	0.7
161.04529	1.0
163.00363	1.6
164.01088	0.7
171.04367	0.6
178.99857	2.0
183.04530	1.4
185.06149	1.2
187.04008	1.5
191.05582	1.7
195.04379	0.5
197.06009	0.6
199.04082	0.5
200.04805	0.5
211.03989	2.2
212.04477	0.5
213.05539	1.1
227.03482	41.4
228.03937	2.9
229.05043	5.3
239.03456	1.2
255.02966	76.3
256.03513	10.4
257.04489	4.4
263.43341	0.5
283.02484	1.5
284.03238	100.0
285.03940	37.2
286.04355	3.1
302.00574	0.6
325.08755	0.5
327.05026	1.7
341.09076	2.3
351.33401	0.5
577.02716	0.5
591.55585	0.4
741.18787	80.4
742.19122	16.2
742.30188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14261	0.1
59.01373	0.3
61.98826	100.0
62.20150	0.1
62.98531	0.2
69.33118	0.9
71.01372	0.9
77.59875	0.1
80.96507	0.1
82.06123	0.1
87.00832	0.1
89.02471	0.1
95.05039	0.2
96.96004	0.6
98.19961	0.3
101.02469	0.2
105.03450	0.5
113.02435	0.1
115.00371	1.0
133.01485	0.7
133.02953	4.2
134.03717	1.0
135.04527	0.4
137.02432	0.6
139.04004	0.2
150.03307	0.1
171.10193	0.1
177.01920	3.1
178.02682	1.5
179.03491	0.7
191.05629	0.3
209.11882	0.2
211.13499	0.6
306.01984	0.1
309.15094	0.2
327.16083	0.3
341.23172	0.2
342.23804	0.1
345.17358	0.1
433.67316	0.1
447.22510	0.5
531.47455	0.1
543.31366	0.1
563.25098	0.2
581.26062	0.9
584.92194	0.1
610.14087	0.1
617.51147	0.1
625.24976	2.8
740.32953	0.2
741.31140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86670	0.1
61.98829	100.0
62.98548	0.1
70.59245	0.2
76.02764	0.1
101.03831	0.1
104.69180	0.1
110.09873	0.1
137.28218	0.1
165.48000	0.1
209.11880	0.4
211.13547	0.2
253.09225	0.1
295.22644	0.2
304.81769	0.1
500.85699	0.1
576.66876	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	740.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98825	100.0
71.01389	1.2
71.51792	0.3
78.85834	0.3
78.95904	0.3
89.02444	0.4
119.98028	0.3
125.72475	0.3
169.12358	0.4
171.10271	0.5
197.11868	1.0
197.21194	0.3
209.11838	2.1
210.12204	0.6
211.13428	1.1
214.54619	0.3
227.12953	0.5
249.18637	0.9
277.21808	0.5
291.19598	0.4
293.21320	1.1
294.21509	1.0
311.22861	0.3
335.79874	0.3
505.25845	0.4
709.37347	0.5
740.43433	0.6
741.40546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.1
61.98826	100.0
62.98516	0.2
77.00060	0.1
81.03410	0.1
81.92339	0.1
115.00362	0.1
124.24336	0.1
133.01421	0.2
196.38434	0.1
231.47473	0.1
237.12137	0.1
283.13266	0.1
299.08853	0.1
362.04486	0.1
531.24524	0.1
581.25531	0.1
625.24982	0.2
650.71777	0.1
679.50177	0.1
680.50751	0.4
740.49194	2.3
741.49341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40104	0.6
59.01378	9.3
61.98825	20.8
71.01377	4.7
71.51272	1.2
73.02923	0.7
76.36768	0.5
81.03466	1.7
83.05033	3.2
84.02143	0.9
87.00843	0.7
88.57864	0.6
89.02448	1.7
89.15005	0.6
101.02457	3.0
113.02435	1.7
119.03476	0.9
135.04504	0.7
159.95274	0.7
161.04529	1.6
163.11346	3.1
165.12831	1.8
171.10257	1.5
181.12306	1.1
191.10806	1.1
195.13857	4.2
202.95024	0.6
207.73508	0.6
209.11810	100.0
210.12138	6.0
211.13332	3.3
212.13783	0.7
220.40237	0.6
223.13356	2.7
224.13329	0.7
227.12860	12.7
235.08200	3.2
235.17079	1.5
253.09247	13.7
275.20172	6.7
276.20499	0.7
293.21216	59.5
294.21606	5.5
309.20758	1.2
323.88290	0.6
445.20764	1.7
485.33072	0.9
529.30524	0.8
739.41858	1.3
755.97302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.4
61.98830	6.4
67.83978	0.8
70.38163	0.8
71.01384	7.2
71.05013	1.1
71.51510	1.0
72.99332	1.0
83.01382	1.0
85.02943	1.6
87.00877	0.9
89.02422	2.9
97.02934	2.7
97.06580	1.4
99.00867	10.8
101.02423	4.3
103.98978	0.8
109.06596	1.9
113.02451	2.3
122.95599	0.8
123.08172	0.9
125.09739	4.2
127.11279	1.4
130.49615	0.8
161.04469	1.2
163.11302	6.3
171.10217	5.9
181.12325	14.5
182.12738	1.2
197.11810	2.5
199.13393	20.1
200.11539	0.7
200.13713	2.0
201.11307	1.7
207.10239	30.2
208.10579	2.5
225.11299	57.9
226.11655	3.8
235.08298	1.1
243.12344	11.2
253.09293	5.1
277.21707	44.4
278.22076	4.3
443.18216	0.9
461.20169	8.2
479.21420	2.3
533.94556	0.8
638.27612	0.8
721.42297	5.4
739.42657	100.0
740.42950	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	739.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
57.03445	3.3
58.00586	1.1
59.01376	23.2
61.98821	1.1
68.99828	0.5
69.03455	1.1
71.01377	45.5
72.01725	0.5
72.99316	2.2
73.02943	12.9
75.00868	0.7
79.97045	0.3
80.49835	0.3
81.03443	0.4
83.01383	10.7
83.70267	0.3
84.02164	0.7
85.02946	23.0
86.00085	2.8
86.03286	0.5
87.00878	3.3
87.04526	0.5
89.02442	7.6
95.01395	4.9
95.19998	0.3
97.02955	3.3
99.00877	4.5
101.02438	54.3
101.31901	0.3
102.02772	1.3
107.18684	0.2
111.00883	0.6
112.01665	0.9
113.02444	20.4
114.02769	0.7
115.04025	0.4
119.03504	2.6
125.02447	2.0
129.01924	0.7
131.03476	0.6
131.46616	0.3
143.03490	5.0
159.03024	2.0
161.04547	18.7
162.04877	0.7
171.10260	3.4
179.05612	1.7
197.11736	0.3
201.11293	0.4
207.10178	0.8
209.11852	0.6
221.06567	0.4
225.11284	1.9
235.08253	0.4
253.09418	0.6
263.07642	0.3
277.21674	5.8
278.22156	0.4
279.23358	0.4
281.24869	1.5
397.13293	2.5
415.14359	1.0
457.33179	0.5
503.24316	0.3
577.37372	45.2
578.37732	7.7
739.42670	100.0
740.43018	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46717	0.8
56.17978	0.9
58.17021	0.8
59.01374	10.7
61.98834	5.5
69.03433	1.0
70.33076	3.0
71.01375	6.9
71.05003	3.0
72.99300	0.9
73.02924	1.4
77.80571	0.9
78.95924	1.7
81.19696	0.9
83.01398	1.0
85.02950	2.1
87.00089	0.8
87.00897	1.0
89.02437	2.2
97.02943	4.2
97.06564	1.5
99.00876	10.1
101.02425	6.3
103.63979	0.9
109.06572	2.1
110.03708	1.1
113.02415	2.3
115.92052	2.2
123.08167	1.2
125.09688	4.7
128.22969	1.0
133.02837	1.1
135.08125	1.1
152.99509	1.8
161.04504	1.1
163.11295	7.5
171.10255	9.6
181.12318	8.7
197.11751	2.0
199.13370	12.0
201.11250	1.3
207.10228	26.9
208.10538	1.4
209.11766	1.8
225.11279	39.4
226.11620	2.3
235.08185	2.8
243.12335	6.2
245.56960	1.0
248.60139	1.0
253.09340	4.2
275.20041	1.2
277.21683	73.0
278.22046	7.8
279.23160	1.5
293.21112	2.2
372.16711	1.0
377.73965	0.9
396.38593	0.9
443.19467	1.1
461.20151	3.7
479.21350	1.6
500.51807	1.1
537.96924	1.0
604.17859	1.0
721.41522	5.6
722.41962	1.3
739.42664	100.0
740.43042	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5074
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
54.24223	6.1
63.65738	6.5
70.62058	16.5
78.95898	15.0
92.88636	5.7
105.63729	5.9
117.95164	5.2
149.12711	7.2
152.99545	13.0
196.34810	5.3
196.49362	6.1
214.54187	5.9
279.23300	100.0
280.23621	10.4
280.52283	6.3
520.06732	5.9
546.50928	5.7
738.50452	50.6
739.51813	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	739.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71744	0.1
57.03438	0.4
59.01372	1.0
60.99294	0.9
67.01888	2.6
69.03456	0.7
71.01379	1.6
71.42448	0.2
73.02930	0.3
80.09821	0.2
81.03442	0.8
83.05031	0.6
85.02944	3.6
87.00872	5.2
87.01389	0.3
88.01210	0.2
93.03455	19.7
94.03788	0.6
94.49573	0.2
96.96037	0.2
99.00873	0.5
99.04517	0.3
101.02444	0.1
109.02957	0.7
111.04513	2.9
113.02460	0.4
115.00372	0.8
115.04015	0.1
119.05022	6.0
119.33630	0.2
120.05358	0.3
120.09385	0.1
127.04019	1.0
129.01923	0.6
129.95937	0.2
133.01456	0.8
134.68903	0.1
135.04553	0.2
137.02457	0.4
138.05446	0.2
145.02937	1.4
149.06053	0.3
155.03490	0.6
159.04385	0.2
161.02420	0.3
163.03993	6.8
164.04291	0.4
169.18016	0.2
171.03018	0.3
173.04539	9.4
174.04907	0.3
177.01917	0.3
191.05598	100.0
192.05940	4.4
192.07700	0.2
203.03491	0.2
220.06146	0.4
233.04593	0.2
237.04124	0.2
258.14316	0.2
277.03546	0.5
319.04727	0.2
337.09262	43.5
338.09586	4.1
608.20062	0.2
637.71674	0.2
667.47284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.4
55.01878	4.7
57.03446	3.1
58.00585	1.8
59.01376	26.9
61.98823	1.8
67.01907	0.5
69.03448	1.4
71.01379	55.4
71.51514	0.6
72.01714	0.5
72.99305	2.6
73.02943	16.5
75.00885	0.8
83.01386	11.0
84.02155	0.4
85.02945	26.5
85.75768	0.4
86.00093	3.0
86.03278	0.9
87.00881	4.2
87.04509	0.7
89.02440	9.2
95.01376	5.0
95.50360	0.4
97.02939	3.5
97.63602	0.4
99.00879	5.5
101.02438	63.5
102.02782	1.4
111.00914	0.6
112.01670	1.0
113.02446	24.8
114.02784	0.9
115.03969	0.6
119.03503	2.7
125.02441	2.1
129.01913	1.1
131.03523	1.3
143.03485	5.2
159.03012	2.4
161.04546	22.3
162.04834	0.6
163.11314	0.9
171.10268	5.9
172.10626	0.4
179.05606	2.3
201.11301	0.9
205.03572	0.6
207.10278	1.4
209.11926	1.1
225.11305	3.1
235.08307	0.6
244.98892	0.5
253.09206	0.9
277.21701	7.7
278.21857	0.8
279.23270	0.6
293.21005	0.7
456.90601	0.4
457.32956	0.8
577.37402	53.7
578.37811	10.5
578.46838	0.7
739.42676	100.0
740.43042	27.5
743.49487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.91885	0.1
61.93697	0.0
61.98825	100.0
62.05909	0.1
62.98526	0.2
71.01389	0.4
73.02943	0.1
74.21629	0.0
78.95901	0.0
83.05042	0.1
85.02915	0.0
89.02425	0.3
93.80927	0.0
97.02990	0.1
101.02438	0.4
102.02808	0.0
113.02473	0.2
115.00354	0.1
119.03477	0.1
125.02409	0.1
125.06049	0.0
129.29636	0.0
133.01459	0.1
137.27234	0.0
143.03517	0.1
156.87758	0.1
161.04567	0.1
163.11307	0.1
167.07852	0.0
171.10229	0.1
179.05637	0.1
183.14024	0.0
195.13966	0.1
209.11810	2.9
211.13472	0.1
225.11530	0.1
227.12839	0.4
235.08286	0.1
253.09253	0.3
275.20270	0.1
277.21872	0.1
278.21991	0.2
279.22714	0.2
291.19583	0.1
293.21222	1.4
397.13638	0.1
398.13660	0.2
399.13721	0.2
400.14490	0.1
416.14957	0.1
417.15277	0.1
418.15668	0.1
445.21536	0.1
529.29761	0.1
633.39661	0.0
738.41840	0.2
739.42358	0.1
752.36426	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79607	0.2
52.33664	0.2
59.01376	12.5
68.98984	0.2
73.61279	0.2
79.95707	0.2
81.03450	4.6
83.05019	12.5
96.95383	0.4
96.96008	7.8
98.20683	0.4
103.26727	0.2
103.97139	0.2
107.06139	0.3
115.00331	0.3
125.07196	0.8
126.05611	0.3
133.01422	0.2
143.08208	0.3
165.40355	0.2
176.60724	0.2
179.03401	0.3
190.65932	0.2
207.14986	0.8
224.17630	2.4
225.16068	11.2
226.16357	0.8
242.18694	0.6
260.17206	0.2
309.21762	0.7
324.26465	0.6
333.22894	0.7
341.29068	0.9
351.23862	0.4
367.26895	1.4
418.85367	0.2
427.93692	0.2
433.31747	1.2
450.34311	0.8
451.32916	7.5
452.33273	0.9
550.43030	1.1
551.43390	0.3
559.39032	0.5
593.44019	0.6
659.48456	1.7
660.48749	0.4
677.49640	100.0
678.49951	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	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
61.91607	0.1
61.91875	0.0
61.98825	100.0
62.05916	0.1
62.98525	0.2
71.01380	0.2
71.70327	0.0
72.01737	0.1
83.01412	0.1
85.03001	0.1
89.02440	0.2
90.02771	0.1
101.02444	0.1
102.02750	0.1
113.02459	0.1
115.00371	0.1
122.35334	0.0
124.16434	0.0
125.02451	0.1
179.05609	0.1
187.44563	0.0
191.76761	0.0
209.11836	0.2
225.11330	0.1
227.13045	0.1
235.08279	0.0
259.52060	0.0
277.21829	0.2
278.22031	0.2
279.22620	0.2
291.19708	0.1
292.20007	0.0
293.21249	0.1
393.05438	0.0
397.13626	0.1
398.13782	0.2
399.13953	0.3
400.14526	0.1
416.14951	0.1
417.15277	0.1
418.15335	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83284	0.5
57.03436	1.3
57.59281	0.6
59.01374	7.0
61.98828	8.1
64.83247	0.6
69.03453	4.8
71.01384	4.5
71.05006	1.8
73.02938	1.7
78.95914	0.7
80.78861	0.5
80.96510	0.6
83.05043	0.8
85.02940	1.2
89.02438	1.9
97.06616	0.7
98.20656	1.5
101.02429	3.7
113.02428	2.5
123.08129	1.6
125.09723	2.7
126.61133	0.6
137.09677	0.6
147.46385	0.6
148.47124	0.6
151.11293	3.1
153.12845	0.8
161.09705	3.8
162.09938	0.5
164.86470	0.5
169.12312	1.9
170.65787	0.6
179.10770	7.0
197.11823	36.8
198.12085	2.5
209.11870	1.1
216.27119	0.5
220.70816	0.6
223.09697	1.1
235.08159	0.6
241.10822	1.3
253.09219	2.4
277.21704	47.0
278.21994	5.1
279.23303	1.4
285.01215	0.6
291.23312	1.2
292.23282	0.6
408.57529	0.7
477.19745	1.1
709.00415	0.7
737.41113	100.0
738.41321	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66869	0.7
57.83427	0.6
59.01372	6.0
61.98832	4.5
69.03439	2.6
71.01373	3.3
71.05007	2.1
71.50771	0.7
71.51274	1.1
73.02961	0.8
73.55027	0.6
75.04486	0.7
77.77589	0.7
78.95891	0.9
80.96494	0.7
83.01431	0.7
83.04990	0.9
85.02953	1.3
89.02424	2.1
93.66129	0.7
101.02431	4.1
113.02412	1.3
119.03535	1.0
125.09698	1.6
151.11241	2.2
153.12823	1.3
161.04518	1.0
161.09680	2.0
169.12314	1.2
179.10742	4.5
197.11812	76.1
198.12154	4.1
209.11951	0.9
223.09723	1.7
235.08083	1.0
239.62949	0.9
241.10695	2.4
253.09219	3.0
277.21707	29.4
278.22015	3.7
279.23349	1.4
291.23126	1.4
293.21078	0.9
336.45395	0.7
339.95700	0.8
459.18289	0.9
477.19760	1.8
704.05170	0.8
708.24872	0.7
737.41083	100.0
738.41394	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42951	1.1
59.01381	29.9
61.98842	7.4
69.22736	9.7
71.01014	1.8
71.01381	27.1
72.99287	2.6
73.02933	2.8
81.03515	1.4
83.01373	3.7
85.02948	6.1
87.00853	5.7
89.01923	2.4
89.02431	20.5
97.02946	3.8
99.00864	2.6
101.02442	20.5
107.08536	1.4
113.02445	10.9
119.03496	6.8
125.02428	9.8
134.32762	1.1
143.03487	5.0
161.04547	5.0
167.03470	1.5
179.05649	4.1
207.10201	2.7
209.11826	1.4
235.08269	11.6
253.09195	2.1
279.23260	83.4
280.23627	7.7
287.07660	3.6
292.21503	1.4
305.08682	3.5
340.58142	1.3
347.27914	1.4
362.37759	1.4
397.13474	100.0
398.13937	9.6
415.09073	1.6
415.14505	31.9
416.15027	3.4
635.42828	1.4
677.37476	3.0
737.40509	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	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
58.00604	1.4
59.01377	30.1
61.98815	2.1
63.42092	0.8
69.03450	2.0
71.01375	30.3
71.40187	1.5
72.99306	2.5
73.02939	4.1
75.00864	0.9
81.03453	2.0
83.01357	1.9
85.02951	7.0
86.00071	0.8
87.00871	6.5
89.02441	20.7
97.02931	5.1
99.00877	2.8
101.02436	21.1
106.62934	0.9
113.02444	10.0
114.66854	0.8
115.00347	1.3
119.03482	7.2
125.02445	9.0
131.03542	0.9
133.01418	2.2
141.01765	0.9
143.03477	3.2
149.04443	0.9
161.04544	5.4
163.51205	0.9
169.55389	0.9
179.05499	4.1
185.04753	0.8
185.54129	0.9
209.11768	2.2
221.06642	1.5
235.08197	10.1
253.09195	2.2
279.23270	83.0
280.23578	9.5
287.07657	2.9
289.18301	1.1
291.19592	1.9
305.08777	4.1
311.12943	0.8
323.09918	1.0
342.46762	1.0
379.12665	0.9
390.02637	1.0
397.13458	100.0
398.13809	9.3
415.08984	1.6
415.14542	31.6
416.14774	2.7
419.45135	1.0
677.37445	4.2
678.37610	1.5
731.25214	1.0
737.41748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74335	0.3
59.01371	2.8
61.98824	9.3
69.61896	1.6
71.01372	3.3
72.99294	0.3
73.02950	0.3
75.00876	0.3
76.62071	0.2
80.02670	1.2
80.96506	1.1
81.03454	0.8
83.01383	0.4
83.05025	3.7
84.02148	0.8
85.02946	0.3
87.00859	0.5
88.98835	0.3
89.02434	1.5
94.98067	0.3
95.01378	0.3
96.96017	0.3
97.06594	0.3
101.02420	1.8
101.68867	0.3
113.02450	1.2
115.00347	1.0
119.03494	0.6
119.04964	0.3
121.06591	0.3
125.02441	0.4
125.06111	0.4
133.01421	1.5
133.02892	0.3
135.04544	0.5
135.08148	0.9
143.03552	0.3
145.04993	0.4
161.04509	0.9
163.11279	3.3
165.12866	2.0
166.13295	0.3
171.10225	0.9
171.52538	0.3
176.40819	0.3
177.01894	0.3
178.02728	0.3
179.03551	0.4
179.05629	0.6
181.12328	0.6
185.12079	0.3
191.05626	0.3
191.10822	0.7
209.11809	100.0
210.12161	6.9
227.12877	15.0
227.15172	0.6
228.13176	1.3
231.16429	0.3
235.08186	1.7
246.03586	0.3
247.13388	0.4
253.09235	5.5
320.14206	0.3
414.42255	0.3
427.20114	0.3
445.20694	3.6
446.21014	0.6
463.21912	0.6
637.32538	0.6
737.31659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84891	0.7
52.87029	0.7
57.61136	0.7
61.98835	0.8
63.96234	1.4
71.01081	0.7
71.01380	7.4
72.18948	0.7
73.02920	2.7
78.95888	2.6
78.96553	0.6
78.98585	6.0
79.95729	11.4
80.96515	67.0
81.94868	0.7
85.02939	2.8
87.00867	2.7
94.98083	13.6
96.95971	1.3
97.02921	1.8
98.19894	1.9
99.00849	1.0
101.02406	2.2
101.07165	0.7
106.98065	2.3
112.06381	0.7
122.97549	2.9
125.02411	3.2
134.97583	5.5
136.99130	1.7
148.99120	7.3
152.98608	5.6
164.98593	11.1
171.10272	1.1
196.89297	0.8
197.11723	1.4
205.10269	0.7
206.99631	2.6
211.13362	0.8
225.00725	20.4
229.05272	0.8
255.23276	2.4
256.23251	0.7
330.23685	1.0
391.29398	0.7
479.15677	1.5
499.26505	0.8
537.27502	1.0
735.39807	100.0
736.40198	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76075	0.1
61.98828	100.0
62.98518	0.3
69.97125	0.7
80.96546	0.5
82.01455	0.2
123.76150	0.1
171.10321	0.6
172.10594	0.3
225.00777	0.2
278.22168	0.3
352.60498	0.2
353.48547	0.2
622.37354	0.2
731.36816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78166	2.3
54.92041	2.2
59.01373	3.3
61.98819	15.5
71.01363	13.5
78.95924	2.5
85.09288	2.2
87.27946	2.2
98.20758	4.4
101.02451	2.5
112.14484	2.3
118.32296	2.1
134.89459	4.9
171.10240	6.8
182.57748	2.4
209.11804	100.0
209.13797	5.4
210.12138	9.0
227.12871	19.4
249.18552	59.9
250.18811	3.6
251.20274	3.2
253.09209	11.3
277.21738	5.8
445.20709	5.5
491.88846	2.3
731.37708	23.1
732.38190	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	8.1
61.98825	85.8
71.01398	10.1
71.52028	6.9
134.89403	8.8
167.30682	6.8
181.08643	58.3
199.09795	7.8
224.33247	8.0
227.12842	14.9
235.08183	11.1
253.09203	12.2
277.21646	100.0
278.22205	9.9
425.39752	6.6
731.37640	39.8
732.38501	9.6
755.47852	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	729.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02098	0.3
55.01876	0.3
57.03432	0.4
58.00585	0.7
59.01377	16.1
60.01719	0.3
69.08349	0.2
69.22012	2.4
71.01379	10.6
72.99316	1.8
73.02943	0.5
75.32550	0.2
83.01394	0.5
85.02936	1.9
87.00877	0.8
89.02438	9.4
95.01385	0.8
96.96025	0.5
98.20770	0.4
99.57605	0.2
101.02441	6.4
103.05546	1.0
103.82956	0.3
113.02444	4.1
115.00365	0.8
119.03505	3.9
119.04999	2.1
133.01402	1.3
135.04503	0.4
143.03497	0.4
147.04512	55.5
148.04855	2.7
149.04575	0.4
158.89302	0.2
161.04536	0.3
165.05557	7.6
165.06912	0.4
166.05833	0.3
179.05579	0.6
327.10809	100.0
328.11169	10.2
341.09027	0.7
595.20441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88679	0.2
57.52448	0.1
59.01379	0.3
61.98827	100.0
62.62320	0.1
70.00286	0.6
78.95937	0.2
80.96506	0.7
94.98081	0.1
171.10291	0.3
225.00685	0.2
277.21796	0.3
278.22162	0.3
317.08383	0.1
382.18289	0.2
384.43915	0.1
570.59265	0.2
664.16315	0.2
731.36707	1.4
752.14008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66455	0.6
59.01374	19.9
59.41013	0.5
59.48291	0.5
61.98819	2.8
71.01369	2.8
71.20716	0.6
71.21066	0.7
73.02947	0.6
78.39320	0.6
78.95904	1.2
79.20884	0.4
87.00861	0.8
89.02440	1.4
101.02438	2.1
104.04897	0.4
113.02458	0.9
125.09691	0.9
127.11256	1.4
143.03494	0.6
152.99542	1.0
159.08121	0.5
161.04553	1.1
171.10251	90.7
171.88731	0.6
172.10614	4.1
197.11711	0.8
209.11815	2.4
213.99763	0.4
235.08243	3.8
241.00075	0.5
250.09695	0.6
253.09296	7.8
254.09647	0.5
255.23201	0.7
267.90170	0.5
277.21692	100.0
278.22018	11.2
281.24777	4.1
328.73047	0.5
407.19067	1.2
450.32950	0.6
513.30768	1.7
554.62860	0.6
619.39142	0.5
709.38708	0.9
727.39612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65305	0.4
59.01376	12.7
61.98823	4.2
64.18231	0.4
71.01390	1.3
71.35762	0.8
78.95902	1.4
84.67188	0.4
85.02953	0.6
89.02453	1.5
91.04010	0.3
100.72565	0.4
101.01228	0.3
101.02439	1.4
109.68297	0.4
111.44746	0.3
113.02442	0.7
125.09698	0.9
127.11296	1.7
130.89145	0.4
132.91170	0.4
152.99565	1.2
171.10252	100.0
172.10576	5.9
202.26346	0.3
209.11736	0.5
235.08223	1.4
253.09241	5.4
255.23216	0.4
275.19928	0.4
277.21695	52.1
278.22040	5.3
281.24832	0.7
297.56540	0.4
401.14740	0.6
407.19055	3.6
540.72351	0.4
727.39655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02220	0.5
59.01373	0.7
60.99304	2.4
61.98826	0.9
65.00319	1.2
84.55074	0.6
88.98800	8.5
109.02953	1.3
115.00375	1.3
121.02955	1.7
133.01434	1.9
133.02977	1.3
135.04552	1.0
165.01920	8.3
193.01340	1.4
197.61490	0.8
212.44843	0.7
229.68816	0.8
243.02879	2.2
254.02266	0.9
255.02948	1.5
269.04626	1.1
271.02448	29.2
272.02811	2.7
278.47095	0.7
285.04099	0.9
287.05554	1.3
297.03876	0.8
299.01935	53.1
300.02475	8.8
314.04276	59.1
315.04999	25.3
316.05414	1.4
639.15607	100.0
640.15979	18.9
749.25720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
64.56641	0.2
64.57090	0.2
67.55158	0.2
71.01366	1.4
72.99286	0.3
79.95741	1.6
80.96523	1.0
85.02953	0.8
87.00887	0.3
89.02435	0.8
93.91505	0.3
95.95229	0.8
96.96007	47.0
101.02437	1.0
115.00363	0.3
122.97592	0.7
133.01427	0.6
138.97078	0.8
150.97067	1.1
164.98529	0.3
180.98068	0.6
212.39146	0.2
225.00752	0.4
241.00262	2.3
270.12311	0.3
341.09085	100.0
342.09412	7.6
490.74164	0.3
756.10620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03449	1.9
57.20259	0.5
58.00577	0.7
59.01376	23.8
61.98829	7.9
63.37853	0.5
67.01882	0.8
68.56369	0.6
69.03451	1.8
71.01376	8.9
71.05016	1.0
72.99329	0.7
73.02962	1.5
79.76524	0.5
80.02670	1.7
81.03458	3.3
83.01387	2.8
83.05022	22.0
84.02171	0.7
84.05302	0.6
85.02957	2.6
87.00867	1.4
89.02440	5.5
95.01400	1.2
95.04995	1.1
96.96019	1.0
97.02934	4.9
97.06582	2.5
99.00896	2.5
101.02423	7.0
107.05019	1.5
109.06569	4.7
111.08155	7.3
113.02437	2.9
113.09706	0.6
115.00390	1.0
119.03493	1.5
123.08106	0.7
125.06085	1.3
125.09697	1.6
127.07669	0.6
133.01390	1.0
135.08160	7.6
137.09708	5.6
141.09167	0.9
143.07066	0.8
145.05081	0.9
152.83705	0.6
152.89978	0.6
153.09201	1.4
153.12846	1.1
161.04555	2.7
163.07635	2.5
163.11226	4.2
165.12823	5.6
167.10777	0.8
169.08684	2.2
169.12357	3.0
171.10248	5.7
179.05614	1.6
179.10817	0.7
181.08691	100.0
181.12038	3.7
182.09032	5.0
183.10292	0.8
183.13905	1.0
193.12427	0.7
197.11821	35.5
198.12219	1.9
199.09740	10.0
199.13391	3.0
200.10182	0.9
201.11368	1.8
207.10284	3.7
209.11810	48.5
210.12189	3.1
211.13394	7.0
219.17503	1.0
223.13301	0.9
225.11284	5.7
227.12868	9.4
229.14207	0.7
235.08287	4.5
236.08443	0.8
237.59492	0.6
243.12334	2.1
247.20609	1.9
253.09273	31.3
254.09528	1.3
263.16507	4.0
263.20135	1.7
265.18082	2.6
273.18506	1.7
279.39679	0.7
281.17569	12.5
282.17889	0.7
291.19635	31.4
292.20108	4.2
293.21216	2.9
309.20691	77.5
310.21024	7.4
327.21777	0.8
373.95361	0.6
417.17542	0.8
463.21695	0.8
545.29590	1.7
579.82239	0.8
709.37531	0.9
723.67554	0.6
727.38971	10.5
728.38812	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	727.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20554	0.2
54.01888	0.2
55.01901	0.2
59.01105	0.3
59.01378	2.3
71.01374	1.6
71.51417	0.2
72.99306	0.3
73.02936	0.2
79.95735	2.1
80.96510	1.3
85.02934	0.5
89.02432	0.6
95.01375	0.2
95.95266	0.7
96.96003	48.4
97.95934	0.2
101.02425	1.2
113.02451	0.3
115.00357	0.4
115.69759	0.2
122.97572	0.6
126.40877	0.2
133.01376	0.3
138.97069	1.2
150.97063	0.8
164.98618	0.4
180.98067	0.6
188.92661	0.2
198.99219	0.3
225.00780	0.2
241.00191	2.4
341.09064	100.0
342.09378	7.1
387.98871	0.2
728.27759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
60.04304	0.3
71.01375	2.0
72.99313	0.4
73.02915	0.4
76.16792	0.2
79.95718	1.6
80.96513	1.3
85.02940	0.5
89.02428	0.9
95.95232	0.8
96.96003	46.0
97.95905	0.2
101.02419	1.1
113.02431	0.6
115.00375	0.9
119.03558	0.3
122.97585	0.5
133.01396	0.9
134.63567	0.2
134.98756	0.3
135.04532	0.4
138.97052	1.0
145.18890	0.3
150.97066	0.8
166.02705	0.7
179.03589	0.3
179.66260	0.3
180.98083	0.4
181.05074	0.7
198.99170	0.4
210.19191	0.3
223.06068	0.4
224.39537	0.3
241.00230	2.1
341.09058	100.0
342.09363	7.5
411.14655	0.3
489.78763	0.3
727.24506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
57.03201	1.1
57.03432	6.0
59.01377	35.8
65.03963	1.5
67.01881	3.9
68.99806	1.6
69.03452	9.8
69.78715	5.2
71.01376	22.7
72.99287	2.8
73.02941	15.0
76.22299	1.1
77.15968	1.1
81.03455	4.3
83.01382	7.3
83.05018	3.5
85.02946	67.4
86.03242	1.4
87.00869	100.0
88.01210	1.8
93.03463	7.0
95.01385	21.7
96.95984	1.4
97.02945	29.6
99.00874	3.0
99.04496	4.2
101.02412	2.6
103.03992	12.4
108.02172	2.7
109.02921	10.6
111.00855	10.9
111.04514	2.3
113.02448	22.3
113.03185	2.5
115.00342	11.0
115.04032	2.4
121.02930	1.6
125.02433	3.4
127.04018	19.4
128.04366	1.2
129.01927	2.4
133.01447	1.3
137.02402	4.7
139.00356	14.8
141.02174	1.3
141.05553	1.5
145.05122	7.2
148.05009	1.2
155.03461	2.9
157.01463	9.4
169.05106	3.4
171.02965	2.2
173.04495	2.1
175.02464	61.8
176.02808	1.7
181.01468	1.4
199.02470	43.1
200.02731	1.6
200.83031	1.1
217.03508	20.4
224.04221	1.1
224.77312	1.2
241.03400	1.3
258.38931	1.3
259.04544	1.5
285.06149	3.3
290.36218	1.6
303.07208	19.6
304.07315	1.5
321.08347	7.1
345.08154	11.4
387.09247	19.3
388.09576	2.6
405.10349	9.5
405.98737	1.3
537.25214	1.2
545.85913	1.4
563.12262	2.6
623.14526	8.7
624.14233	1.5
685.17987	1.5
709.18097	18.8
710.18512	3.8
727.19269	28.9
728.19733	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.18577	0.5
57.03435	1.5
58.00592	0.8
59.01378	14.4
60.75840	0.6
61.98832	4.4
69.50244	0.5
71.01379	21.4
71.51134	1.1
72.99313	0.8
73.02948	7.1
75.00847	0.9
82.64740	0.5
83.01382	4.3
85.02952	10.9
86.00092	1.1
87.00851	1.9
87.52434	0.5
89.02441	4.1
95.01360	1.5
97.02975	0.6
99.00880	2.7
101.02438	17.4
102.02789	0.6
106.10909	0.5
111.00858	1.0
113.02449	9.2
115.00360	1.6
119.03500	1.4
125.02453	0.8
127.07623	0.5
129.01903	0.7
131.03442	0.6
133.01396	1.6
133.02974	0.8
135.04472	1.4
159.02983	1.1
161.04575	3.4
171.10248	1.2
178.34766	0.6
179.03450	0.9
191.05592	0.8
201.58560	0.5
211.13390	1.2
225.05095	0.6
229.14462	1.1
285.83429	0.6
312.99139	0.5
324.41028	0.5
327.21759	9.5
328.22064	1.0
414.72131	0.6
415.14673	3.0
427.31882	3.4
439.32260	3.8
459.34750	6.0
503.33475	1.8
517.15222	0.6
534.41467	0.6
621.30139	0.9
621.39966	14.9
622.40356	4.1
665.39001	100.0
666.39386	22.3
683.38800	0.7
725.36810	0.8
745.88116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11006	0.2
58.00608	0.3
59.01371	4.0
59.89709	0.3
61.98830	1.5
67.23133	0.3
71.01379	2.8
71.51164	0.4
72.99328	0.3
73.02939	0.6
78.95905	1.3
80.02682	0.9
81.03455	1.2
83.01372	0.4
83.05022	5.0
84.02174	0.8
85.02952	0.8
87.00857	0.8
89.02422	1.9
91.04025	0.2
95.01389	0.4
95.05029	0.7
96.97011	0.3
97.06596	0.4
98.32588	0.3
101.02445	2.6
109.06592	0.3
113.02443	1.1
119.03481	0.5
125.06133	0.5
135.08168	0.7
152.99580	0.8
161.04532	1.2
163.10017	0.4
163.11275	3.1
165.12817	1.8
175.66109	0.3
179.05708	0.6
181.12335	0.5
191.10789	1.1
209.11812	100.0
210.12160	6.6
223.09882	0.3
225.11270	0.3
227.12860	11.3
228.13235	0.7
235.08188	2.9
253.09261	9.1
254.09798	0.4
255.23241	0.3
275.20169	0.4
277.21692	74.2
278.22049	8.7
445.20627	0.9
645.69464	0.3
705.36224	0.4
705.83990	0.3
723.43573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01378	34.4
61.50723	1.5
61.98825	16.6
63.26783	1.3
69.03453	5.2
71.01386	13.2
71.05001	2.7
71.38013	2.9
73.02935	2.4
80.55079	1.6
83.05011	7.3
84.02132	2.2
85.02939	4.6
87.00879	2.6
89.02426	5.9
89.29315	1.5
95.05014	3.5
96.13556	1.9
96.95990	1.9
97.02943	4.0
97.06577	4.7
101.02466	10.1
109.06593	5.7
113.02435	3.4
117.07038	1.9
119.03469	2.4
123.04470	3.6
125.09686	2.1
126.88625	1.7
133.01405	3.1
133.06549	3.6
135.08131	7.4
141.09207	2.3
143.07126	1.8
145.04974	1.7
151.07599	1.7
151.11226	1.8
153.09192	2.6
161.04547	3.1
161.09714	2.1
163.11246	9.2
165.12811	3.6
167.10728	5.4
169.12263	1.7
171.10236	3.5
179.05769	2.0
179.07101	10.9
179.10681	4.5
181.08635	5.3
181.62257	1.7
195.10109	1.8
197.08183	3.8
197.11815	74.5
198.12161	5.2
199.13396	1.9
207.10214	12.4
209.11809	90.2
210.12163	6.4
211.13313	3.0
217.15880	6.3
225.11263	7.1
227.12851	10.7
235.08144	6.4
241.10797	3.6
253.09277	19.1
261.14859	7.5
263.16183	1.7
265.17917	7.0
279.16064	9.0
281.17438	3.9
291.19641	5.5
293.21155	3.1
307.19073	2.9
309.20642	16.8
333.74347	1.8
356.96417	1.8
445.42950	1.9
461.20389	2.1
477.19571	1.8
656.40833	1.7
725.37427	100.0
726.38025	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
60.55992	0.2
61.98851	0.2
70.99976	0.5
71.01028	0.2
71.01370	1.7
72.99284	0.3
73.02907	0.2
79.95741	1.9
80.96513	1.0
83.01332	0.3
89.02441	0.7
95.01404	0.3
95.95234	0.8
96.96001	55.7
99.00934	0.2
101.02428	0.8
103.23935	0.2
113.02431	0.5
115.00321	0.4
122.97569	0.7
132.04535	0.7
133.01418	0.7
133.61174	0.2
138.97061	1.0
150.97072	0.9
152.98604	0.3
164.98564	0.4
180.98090	0.6
191.05591	0.7
225.00778	0.3
239.28476	0.2
241.00220	2.1
341.09055	100.0
342.09393	7.6
432.17224	0.3
476.04938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44409	0.5
57.03441	0.5
58.19344	0.5
59.01375	14.5
60.98828	0.5
61.98825	12.1
70.69524	1.7
71.01385	6.6
71.05041	0.6
72.99303	3.0
73.02930	1.2
80.02695	0.6
80.91678	0.7
81.03499	0.7
83.05018	2.7
85.02959	1.9
87.00887	1.2
89.02463	1.5
94.20518	0.6
96.96004	1.7
99.00826	0.9
101.02429	2.9
107.05035	1.5
109.82224	0.6
111.00891	0.8
113.02438	2.0
115.00349	2.8
117.03501	0.6
119.04967	0.7
125.02475	0.6
125.06115	0.7
127.11279	0.9
129.01923	0.7
132.55612	0.5
133.01430	4.9
133.02922	3.3
134.03757	5.7
135.04515	100.0
136.04831	4.5
137.02394	1.1
149.06056	1.2
159.04503	1.1
161.02414	5.4
161.04620	0.9
161.06102	0.7
163.11310	2.5
165.12799	0.9
171.10303	1.1
176.16359	0.6
177.02000	0.8
177.05580	1.8
178.02724	1.8
179.03485	89.7
180.03831	5.2
191.05550	0.9
201.09567	1.0
201.11322	11.7
209.11815	59.8
210.12160	3.5
221.04607	0.8
223.13464	2.8
227.12856	7.9
235.08145	1.8
253.09235	4.4
255.03006	0.9
266.48520	0.6
267.12250	1.2
285.04062	0.9
293.06674	1.7
323.07834	1.4
341.08905	3.2
353.08817	0.6
445.20721	2.6
455.12003	6.1
456.12427	1.1
473.12961	35.9
474.13477	3.6
501.31769	0.8
543.20471	1.0
563.35040	0.7
577.13513	1.3
607.27112	1.3
608.27002	0.6
611.38483	0.7
663.23181	1.7
705.23010	0.9
723.24921	45.6
724.25220	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	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03447	1.2
59.01382	6.4
61.98827	9.5
70.79850	1.1
71.01379	12.2
71.05010	3.7
72.76602	0.6
72.99271	0.9
73.02944	1.2
75.00838	0.6
79.95724	0.7
80.02670	0.9
80.96508	1.2
81.03452	1.0
81.47032	0.6
83.01383	1.0
83.05016	4.1
84.02147	0.8
85.02930	1.3
87.00874	1.1
89.02451	3.7
95.01382	0.6
95.05035	1.3
96.95996	1.5
97.02937	3.2
97.06586	2.4
99.00880	16.5
101.02410	3.7
109.06583	1.1
113.02422	1.9
115.00371	6.2
119.03508	0.5
120.82598	0.7
123.08152	2.1
125.09718	6.3
133.01425	8.7
133.02898	1.5
134.03699	1.0
135.04559	4.1
135.08119	1.3
137.02522	0.8
147.63918	0.6
161.04517	0.9
161.09795	0.6
163.11287	12.0
164.11618	0.6
165.12830	1.6
171.10223	4.6
177.01979	0.9
178.02670	2.2
179.03482	4.4
181.12335	15.2
182.12593	1.0
191.10803	0.8
197.11810	1.8
199.13393	10.3
201.11307	1.0
207.10257	25.0
207.12219	1.3
208.10561	0.7
209.11810	38.0
210.12094	2.7
211.13434	0.9
225.11302	34.8
226.11584	2.1
227.12811	3.1
233.66208	0.6
243.09842	0.9
243.12347	17.2
244.12846	1.0
245.14130	0.7
253.09276	2.5
275.09143	1.0
317.16205	0.6
436.28223	0.6
461.20215	1.8
479.21307	4.7
561.33386	0.8
671.32764	2.5
689.33832	100.0
690.34216	20.0
721.36829	7.5
722.36511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03586	0.6
59.01225	4.4
59.01569	2.6
61.98669	5.6
61.99036	3.3
69.03279	3.2
69.03702	1.5
71.01211	7.6
71.01652	3.1
71.04871	1.4
72.99169	0.7
73.02795	1.3
73.03170	0.9
81.03305	1.2
81.03699	0.5
83.01244	0.8
83.04838	4.6
83.05373	1.1
83.76380	0.6
84.02013	1.1
85.02799	1.0
85.03208	0.5
87.00701	1.2
89.02235	2.6
92.44753	0.5
93.03322	0.7
95.01212	0.6
95.04880	1.0
96.95828	1.5
97.02779	0.8
97.06444	1.1
98.19899	1.5
99.00692	0.7
101.02229	5.1
101.02934	0.8
113.02217	1.9
115.00127	4.8
115.00986	0.9
119.03329	0.8
121.02790	0.6
123.07973	1.1
125.09464	2.1
133.01166	4.8
134.03442	2.7
134.26299	0.5
135.04237	1.9
135.07971	1.0
137.02229	0.5
138.37364	0.5
151.10989	2.3
153.12553	1.7
161.04265	1.5
161.09393	3.3
163.10976	4.4
165.12569	1.9
171.10007	0.7
177.01614	1.0
178.02515	1.3
179.03133	2.1
179.05353	0.7
179.10451	6.9
191.10461	0.6
193.04720	2.9
197.11485	58.6
197.14403	1.6
198.11823	3.9
201.11102	0.6
209.11807	63.5
209.13643	4.0
210.12117	4.4
211.13184	1.0
223.09567	1.2
227.12817	3.8
229.04778	0.6
235.07884	0.8
241.10759	3.5
253.09285	3.4
267.06406	1.1
294.04755	0.5
311.05502	1.1
397.13196	0.7
419.01559	0.6
459.18405	0.5
477.19470	1.2
492.36304	0.5
503.34772	0.6
564.21185	0.7
575.72559	0.6
639.42316	0.6
687.32257	100.0
688.32587	21.4
688.44025	1.2
719.34955	31.0
720.35486	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86209	0.1
57.07563	0.1
59.01373	0.2
59.54568	0.1
61.98827	100.0
62.98535	0.2
71.01392	0.2
74.69814	0.1
89.02473	0.1
91.56223	0.1
113.02446	0.1
115.00413	0.1
152.51097	0.1
171.43040	0.1
178.33914	0.1
188.29233	0.1
202.72491	0.1
209.11816	0.2
255.23346	0.2
256.23621	0.1
347.77106	0.1
398.14032	0.2
399.14102	0.3
615.96301	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03430	1.3
57.76157	0.9
58.00592	5.5
59.01375	96.4
61.98814	1.1
64.07610	0.9
66.93217	0.9
69.27651	3.2
69.28080	4.1
71.01376	67.3
72.01688	1.3
72.99299	7.2
73.02938	2.1
80.77296	1.0
83.01366	2.4
85.02940	11.1
87.00857	5.0
89.02438	100.0
90.02786	1.0
95.01387	5.2
98.19801	1.6
101.02431	34.1
107.66100	0.9
108.02141	1.6
110.59365	0.8
113.02442	25.7
115.00388	7.9
117.03442	1.5
117.90819	0.9
119.03490	42.2
121.02929	2.0
122.03693	0.9
123.04491	1.1
131.03484	5.8
133.01407	11.8
133.02956	1.7
134.03773	1.0
135.04524	6.2
136.01669	1.8
138.93233	0.9
143.03490	9.2
145.02945	11.7
146.03731	5.5
147.04492	4.2
149.02423	1.8
149.04558	4.4
150.03200	4.5
151.03967	2.6
152.01140	1.6
153.09198	1.3
158.03754	1.8
159.04495	4.0
160.05255	8.2
161.02495	6.2
161.04521	9.0
161.06033	5.3
162.03217	29.8
163.03947	2.4
164.04756	2.9
166.02702	0.9
173.05992	1.2
175.07582	8.0
176.04771	1.9
177.05542	24.8
178.06235	1.8
179.03471	4.5
179.05571	27.8
180.04225	1.4
181.04962	1.5
195.06580	3.4
197.08220	1.5
274.98694	1.0
284.90488	0.9
329.13849	8.5
357.11789	2.2
387.14355	2.1
409.12875	1.1
467.13269	2.6
477.19131	2.5
485.14658	1.0
489.19162	20.0
490.19373	3.3
681.23883	8.1
682.24335	1.4
687.26465	25.0
688.27057	6.6
717.27325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46059	0.2
59.01376	0.3
65.00320	0.2
70.08423	0.8
71.01378	13.6
83.01387	0.5
89.00332	1.3
91.01892	0.6
92.91195	0.2
95.01345	0.2
106.00593	1.3
110.51614	0.2
111.00877	0.5
112.98788	0.3
115.00367	7.6
115.01164	0.4
116.00619	0.2
121.02955	27.8
122.03290	0.8
123.00885	1.2
127.00360	0.7
133.01436	1.0
135.04491	0.2
136.98811	0.5
138.03197	1.5
139.00349	0.5
153.05571	22.7
154.05948	1.1
154.99878	0.3
163.03920	0.2
166.99791	0.9
174.24429	0.2
182.02196	4.5
191.05643	0.2
197.04538	100.0
198.04863	5.1
209.11835	0.2
219.21751	0.2
242.45444	0.2
247.19501	0.2
305.57404	0.2
313.05630	9.3
314.05859	0.6
327.10678	0.3
524.64209	0.2
551.57727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98825	100.0
62.98527	0.2
63.13724	0.1
64.49854	0.1
69.27750	0.6
71.01394	0.2
87.92199	0.1
89.02449	0.1
94.65797	0.1
101.02464	0.1
115.00362	0.1
179.08617	0.1
199.07364	0.1
209.11777	0.1
251.20128	0.1
255.23305	0.2
256.23611	0.2
398.13922	0.1
399.14160	0.2
400.14359	0.2
416.14078	0.1
417.15146	0.1
486.82562	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	715.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84428	0.5
59.01377	12.8
60.01680	0.4
61.01783	0.7
68.79730	0.4
68.99815	18.3
71.01385	2.5
71.51385	0.8
73.02950	0.5
76.19915	0.4
80.05053	19.2
81.05347	0.5
82.73579	0.4
85.02948	0.7
87.00873	0.4
88.98809	0.7
94.06605	0.6
96.95992	1.1
101.02440	1.4
104.05090	2.3
106.06606	0.9
107.03763	1.6
108.04545	2.0
113.02435	0.7
115.00364	2.1
116.05019	1.0
118.06690	0.6
120.04514	0.5
122.06119	17.7
123.04554	0.4
123.06480	0.6
132.04549	100.0
133.01442	3.0
133.04883	3.8
134.06113	1.2
135.04492	0.9
139.02786	0.7
144.04520	2.7
150.05600	27.6
151.05978	0.8
152.07164	49.5
153.07507	2.4
162.05618	1.5
179.03490	0.7
188.03531	0.6
188.16530	0.4
191.05582	0.5
224.09573	0.5
231.14813	0.5
239.12192	0.7
245.09384	0.5
245.12782	0.8
267.11331	0.4
269.10327	0.9
269.12970	0.8
273.12354	0.9
288.07755	0.4
297.12427	54.8
298.12744	6.1
315.13492	49.7
316.13785	4.8
341.09027	0.5
359.12469	36.8
360.12793	3.8
468.78262	0.5
483.13208	0.8
599.22809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	12.8
59.01376	11.8
61.98826	17.1
66.03472	1.7
69.51010	1.2
70.67641	1.3
71.01379	17.4
73.02937	4.6
74.02469	25.7
76.15755	1.6
80.96507	1.8
82.02978	3.2
85.02941	3.4
86.02470	10.1
87.00864	1.9
87.05622	5.0
88.04017	1.7
89.02441	2.3
94.64322	1.4
96.95999	2.5
97.04073	3.0
98.20621	5.9
99.05643	19.3
101.02428	3.6
101.07194	3.9
102.05589	4.2
103.59608	1.5
109.02900	1.4
109.04042	4.0
109.42059	1.2
111.05612	1.8
112.03996	2.0
113.02443	2.0
115.00350	12.4
120.03177	1.4
123.05595	1.5
123.33946	1.2
125.03524	3.9
127.05096	5.4
128.03535	63.2
133.01433	13.8
133.02911	3.3
134.03722	3.3
135.04500	5.1
135.05632	7.0
135.08157	3.2
137.02405	2.2
141.06711	2.7
143.04614	81.7
144.04932	3.0
145.06198	3.1
146.04617	8.4
153.06673	4.9
154.08690	4.0
166.09805	4.0
167.04596	3.4
167.08208	3.8
174.65897	1.3
177.01936	3.1
178.02682	7.3
179.03415	1.7
179.04662	13.7
181.01584	1.2
181.06171	1.3
184.22865	1.7
185.05632	2.6
209.11758	4.8
210.08791	14.6
211.13222	1.6
228.09801	3.3
246.48473	1.5
254.07805	35.0
272.08856	100.0
273.09235	6.6
306.07635	1.7
383.18979	2.1
423.22006	2.6
489.15219	1.9
501.44470	1.6
585.28271	2.6
692.48621	1.6
696.30920	7.4
714.32703	74.1
715.32910	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	713.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.6
83.05014	0.5
105.03474	0.4
115.00378	0.8
130.59749	0.4
133.01363	0.9
133.02940	3.6
134.03769	0.9
135.04512	0.4
137.02431	0.5
145.14725	0.3
149.99422	0.3
168.00659	0.5
177.01889	2.5
178.02621	1.0
179.03452	0.5
192.12335	0.3
198.45972	0.3
225.16100	0.4
553.23041	0.7
597.21631	2.2
598.21735	0.5
677.49786	2.2
678.50098	0.6
713.47284	100.0
714.47595	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.2
61.98832	4.8
62.32611	0.7
66.89730	0.6
70.97148	0.5
71.01381	4.8
73.02937	1.6
78.95906	1.0
81.03455	1.0
83.01368	1.2
83.05019	7.7
85.02940	0.7
87.00853	1.5
89.02429	3.7
97.06587	3.1
99.00870	1.0
100.26543	0.6
101.02417	3.8
109.06586	2.4
113.02422	2.5
115.81040	0.6
116.92830	1.7
119.03490	1.3
122.97411	0.6
123.16412	0.6
125.02451	0.7
135.08136	2.4
137.06041	1.8
143.03485	0.7
145.04973	1.1
146.99431	0.6
155.07121	7.7
161.04532	1.7
163.07646	0.6
171.10327	1.8
172.10582	0.8
173.08173	5.2
181.08675	42.5
182.08997	2.5
187.07643	0.7
199.09813	4.0
235.08243	6.3
249.18668	0.8
251.20171	0.8
253.09277	12.3
254.09732	0.9
255.23134	1.4
277.21695	100.0
278.22058	12.4
397.13483	2.2
513.30713	1.2
713.40466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.86568	0.4
57.03428	0.8
58.00597	1.3
59.01381	26.1
61.98822	2.3
68.99798	0.5
69.03438	1.6
71.01378	24.7
71.51601	0.5
72.01731	0.5
72.99303	1.9
73.02936	3.7
75.00823	0.5
81.03456	0.9
83.01388	2.5
83.05015	0.6
85.02943	5.4
87.00877	5.9
87.53886	0.4
89.02441	24.7
91.04044	0.5
95.01383	2.3
97.02944	4.5
99.00900	2.2
101.02435	18.7
111.00813	0.5
113.01728	0.8
113.02447	9.9
116.92825	1.0
117.84974	0.4
119.03506	6.2
121.02927	0.7
125.02439	9.9
133.05020	1.3
137.02385	0.4
139.03964	0.5
141.01898	0.7
143.03526	3.6
149.02507	0.4
149.04608	0.5
155.07143	0.9
161.04550	5.0
169.05045	0.6
173.08122	0.7
179.05621	4.7
181.08690	3.0
185.04587	0.5
195.71675	0.4
199.06078	0.5
217.07141	0.6
221.06616	1.5
232.36050	0.4
235.08220	9.9
253.09200	2.9
255.23271	72.0
256.23618	6.3
263.07819	0.6
277.21707	8.8
278.21945	1.3
287.07599	3.1
305.08691	3.6
306.09088	0.5
323.09659	1.0
358.71652	0.4
378.51334	0.4
379.12527	0.7
397.13470	100.0
398.13779	8.7
415.14539	30.6
416.14899	2.9
461.96759	0.5
522.48352	0.5
653.37628	7.0
654.37665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81246	0.9
58.41465	0.8
59.01388	5.9
61.98818	3.8
69.64393	2.3
69.64783	1.8
71.01384	24.2
72.99301	1.8
77.03972	3.0
83.05781	0.9
85.02922	1.4
87.00877	1.1
88.98794	3.6
89.02454	2.2
93.03464	2.1
95.05013	6.3
96.96010	1.4
101.02425	1.9
101.39622	1.0
105.03461	17.2
106.04253	1.9
108.02197	1.3
109.02956	12.3
111.00887	1.3
113.02437	1.2
115.00372	28.5
119.13998	1.0
121.02946	5.3
122.03754	2.4
123.00886	3.2
123.04551	2.7
124.01663	9.8
125.02433	8.0
130.37769	0.9
133.01457	25.0
133.02950	100.0
133.10312	1.3
134.01740	1.3
134.03766	33.0
135.04573	9.7
137.02438	26.1
138.02817	1.3
139.04013	9.3
146.03793	1.4
149.02455	1.2
149.99593	12.6
150.03241	2.5
151.00285	0.9
159.04515	2.9
161.02440	4.8
161.06107	5.6
162.03297	1.4
165.01880	1.1
168.00639	26.7
169.01324	3.9
172.05222	1.8
174.01723	1.9
174.03189	1.4
175.04041	1.1
176.04733	2.1
176.65541	1.0
177.01923	58.5
177.09169	1.0
178.02698	50.4
179.03445	11.7
179.10776	2.8
183.10225	7.1
187.03998	6.9
187.07561	1.4
188.04715	2.3
189.09209	1.2
194.02148	1.2
197.05960	1.3
200.51762	0.9
201.05406	1.3
202.06277	3.7
205.04959	1.0
207.10223	4.0
209.11629	1.4
215.10744	2.0
250.04839	1.8
253.09271	1.7
255.10231	5.0
255.13890	2.3
271.13370	2.1
273.11316	6.9
273.14206	1.1
281.11768	7.2
294.03723	8.9
295.04510	1.2
299.12863	37.5
300.13141	3.4
317.13898	9.0
318.14407	1.4
331.06668	2.9
419.19095	4.9
463.10208	2.3
509.20352	2.9
535.21832	15.5
536.22131	2.1
553.22900	95.8
554.23267	15.5
579.20660	9.3
597.21826	49.8
598.22229	9.2
713.22925	27.4
714.23260	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	713.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	27.9
61.98828	74.2
71.01370	25.0
71.51336	7.7
89.02449	19.2
96.95973	7.1
101.02460	15.1
105.85054	6.9
113.02483	8.4
116.92827	23.1
171.10229	19.2
177.47510	6.3
199.13557	7.1
200.13739	8.1
201.11472	6.3
207.10274	18.5
208.10597	10.7
209.11816	14.5
225.11270	28.9
226.11644	23.6
249.18518	19.6
251.20093	9.3
253.09221	6.9
278.22180	7.2
279.23291	35.0
397.13489	89.8
415.14505	29.9
712.39301	14.9
713.40662	100.0
714.37146	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	711.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50124	0.2
59.01376	2.1
65.57081	0.2
69.60446	1.4
71.01374	3.4
71.21133	0.2
73.02943	1.1
77.82037	0.3
83.01375	0.4
85.02961	1.6
91.05526	1.4
99.00868	0.6
101.02457	2.3
101.03952	5.6
101.04568	0.5
113.02440	1.7
115.00364	0.3
117.03464	2.8
119.05020	100.0
120.05345	4.6
133.01434	0.8
138.01970	0.3
143.03549	0.3
144.19348	0.3
159.02945	0.5
161.04546	3.5
163.04004	5.0
179.03395	0.3
269.10602	0.3
300.07623	0.3
321.95837	0.3
325.09247	38.4
326.09573	4.1
669.62164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
56.11529	0.6
59.01373	7.2
61.98828	6.6
69.03426	0.6
71.01381	6.7
71.05014	1.8
73.02936	0.8
83.01384	0.8
83.05032	0.6
85.02927	1.9
87.00851	0.7
87.03950	0.5
89.02447	4.0
95.01363	0.6
97.02937	3.3
97.06577	2.0
98.20662	1.4
99.00881	11.2
101.02424	3.3
109.06570	1.1
113.02446	2.0
116.92812	1.3
119.03500	1.1
123.08141	1.0
125.02439	0.6
125.09715	3.6
127.11323	1.1
135.08188	0.7
142.02654	1.5
142.49654	0.6
153.12878	0.7
161.04486	0.8
163.11259	6.4
171.10294	4.1
179.05551	0.6
181.08754	0.7
181.12334	12.4
182.12701	0.8
197.11731	1.5
199.13391	22.2
200.13618	0.8
201.11252	1.0
207.10242	25.7
208.10568	1.2
209.11745	1.5
223.13467	0.6
225.11298	49.6
226.11618	3.9
231.17465	0.8
235.08170	1.6
243.12363	13.9
244.12520	0.8
249.03813	0.6
249.18573	25.0
249.21201	1.3
250.18921	2.3
253.09196	2.6
277.21765	3.3
324.21051	0.6
362.55209	0.7
415.14600	0.7
461.20303	8.8
462.20313	1.0
479.21426	2.5
538.67340	0.6
566.85168	0.7
693.38440	4.4
694.38379	1.1
711.39526	100.0
712.39807	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	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25885	0.3
53.24821	0.3
59.01368	0.8
61.98835	0.3
63.96227	1.7
69.03443	0.7
71.01378	7.9
71.13998	0.6
73.02946	1.7
77.27899	0.3
78.98586	5.9
79.95732	12.9
80.96513	72.7
81.03421	0.5
83.01382	0.5
85.02937	2.6
87.00865	2.6
94.98085	16.9
96.95992	1.2
97.02936	1.7
99.00881	0.7
101.02429	2.5
106.98087	3.2
113.02421	0.7
122.97577	3.5
125.02457	2.4
127.04002	0.6
134.97589	4.9
136.99150	1.1
148.98015	0.5
148.99127	6.0
152.98619	6.4
153.98897	0.5
164.98616	11.9
165.99008	0.4
167.00182	0.5
171.10312	2.4
174.82791	0.3
206.99644	2.4
225.00719	17.0
226.00963	0.8
255.23256	1.1
278.48944	0.3
279.23318	0.5
279.47702	0.3
283.04849	0.4
330.40030	0.4
453.14215	3.3
467.79001	0.4
537.27740	1.6
631.02954	0.3
643.21692	0.3
709.38318	100.0
710.38672	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28841	0.1
54.66084	0.1
59.01369	0.8
61.98827	100.0
62.98528	0.2
62.99259	0.1
71.01386	0.5
78.95923	0.1
83.05020	0.1
87.00873	0.1
89.02466	0.3
92.76452	0.1
101.02474	0.1
102.72005	0.1
115.00400	0.1
119.03484	0.1
128.78308	0.1
133.01445	0.2
178.02704	0.1
181.08678	0.2
207.10356	0.1
209.11794	0.9
210.12190	0.3
225.11334	0.1
227.12991	0.2
249.18634	0.2
250.18954	0.2
251.19312	0.1
253.09328	0.2
263.16641	0.3
264.16891	0.3
265.18204	0.1
279.23410	0.1
293.21277	0.2
309.20758	0.1
397.13748	0.2
398.14102	0.1
399.14047	0.3
400.14172	0.1
416.15005	0.1
417.15204	0.2
473.29230	0.1
710.38794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36390	0.5
54.93964	0.5
55.01874	2.6
57.03447	1.0
58.00607	0.6
59.01377	7.3
71.01376	18.7
71.51754	1.0
72.99303	1.0
73.02944	11.9
78.08959	0.5
83.01379	5.5
85.02946	4.4
87.00891	1.2
89.02439	4.4
95.01402	0.9
97.02938	1.3
99.00879	34.9
100.01279	0.7
101.02438	19.5
109.02944	1.8
111.00943	0.8
113.02464	6.0
115.00341	0.9
121.02956	0.8
123.00858	3.5
124.01670	1.5
125.02430	2.0
131.03516	2.0
133.01418	1.4
135.04559	0.8
137.02443	11.9
138.03239	0.8
139.00366	1.2
139.04005	2.3
143.03503	3.0
147.04509	0.7
149.02435	1.6
151.00356	26.4
151.04021	1.5
152.01138	3.4
152.04785	2.3
153.01843	0.8
153.05508	0.8
161.02374	0.7
161.04547	4.6
162.04839	0.6
162.69432	0.6
163.03975	1.3
164.04732	0.6
165.01886	1.4
166.02702	86.9
167.03316	5.8
167.38657	0.6
168.04205	0.6
175.03979	3.7
175.07591	0.8
176.04758	0.8
177.01909	3.8
177.05536	0.8
179.03485	1.2
180.79623	0.5
181.05058	100.0
182.05411	4.6
184.03804	1.6
184.92796	0.5
187.04022	0.9
187.23087	0.6
188.04684	1.0
189.05534	0.9
190.06337	2.6
191.03499	4.5
191.05594	9.1
192.04170	1.7
193.05080	1.4
195.03001	0.7
203.03477	1.5
205.05070	5.3
205.08717	0.8
206.05865	3.1
207.06604	2.1
217.05092	1.2
219.06650	2.0
220.07443	1.5
221.04633	1.0
221.08168	5.9
224.03287	0.6
233.08141	1.9
293.08704	5.5
293.11246	0.6
311.05576	0.9
329.10248	0.6
339.08658	2.3
340.09241	0.8
341.10251	1.1
354.10791	0.7
357.09720	0.9
359.11292	2.1
369.09631	3.1
372.12042	2.0
373.12711	0.9
383.11551	0.8
384.12201	4.0
385.12790	0.8
387.10754	15.4
387.14676	7.8
388.11404	2.3
398.13867	0.8
399.14426	24.8
400.15012	3.8
402.13184	11.9
403.13730	3.3
417.15509	76.1
418.15814	9.7
441.49161	0.6
551.21368	0.6
681.23932	7.5
682.24414	1.3
693.23907	16.4
693.36053	0.9
694.24158	4.1
711.24994	66.8
712.25354	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	709.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43884	0.4
53.62463	0.5
54.19740	0.4
57.03449	0.9
59.01378	10.2
61.98826	7.5
68.25935	0.4
69.03455	3.6
69.97483	1.7
71.01385	4.8
71.05010	2.1
73.02943	1.1
74.51208	0.4
83.05028	0.7
84.26666	0.4
85.02954	1.3
85.92840	0.4
87.00899	0.7
89.02439	3.0
95.01439	0.5
97.02911	0.7
97.06579	0.9
98.20675	0.5
98.28454	0.4
99.00896	0.6
101.02440	3.9
105.74631	0.4
109.83755	0.4
113.02434	1.5
116.92845	0.5
119.03547	0.6
123.08167	0.7
125.09738	1.8
131.06935	0.4
137.09732	0.7
151.11263	2.1
153.12856	1.6
154.64928	0.4
161.04553	1.0
161.09743	3.1
169.12314	1.1
179.10757	6.3
197.11829	86.2
198.12141	4.7
199.13612	0.4
205.19577	0.5
223.09789	1.0
235.08273	0.8
241.10860	3.5
249.18581	21.0
250.18921	1.4
253.09239	3.3
277.21744	1.0
279.23416	1.0
293.21201	0.4
459.18756	1.0
477.19705	2.3
533.62207	0.4
543.02826	0.4
691.36615	0.6
709.37988	100.0
710.38214	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	709.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52084	0.6
57.03443	2.4
59.01379	9.7
59.06096	0.8
61.98828	10.9
63.88703	0.7
67.01831	0.6
69.03436	1.5
71.01381	5.2
71.05009	2.0
71.35393	1.1
73.02962	1.0
75.80216	0.7
78.95930	1.1
85.02948	1.3
85.29729	0.7
87.00874	0.8
89.02431	3.1
95.05013	4.0
97.06583	8.4
101.02432	3.9
102.05574	0.8
110.77265	0.7
113.02429	2.2
121.06613	1.5
123.08159	15.5
125.09698	2.1
133.06610	4.7
146.04593	0.8
151.07643	10.0
161.04539	1.0
169.08691	24.3
170.09074	1.3
190.48531	0.7
195.06569	2.3
213.07567	1.1
253.09279	2.6
275.20020	0.8
277.21707	46.5
278.22086	4.9
344.58258	0.7
449.16534	1.0
467.92059	0.6
690.79205	0.7
709.37976	100.0
710.38336	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	709.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91051	0.4
57.03437	1.8
59.01379	0.8
61.95947	0.4
71.01383	1.2
71.50443	0.7
73.02955	2.4
87.00891	0.5
99.00873	2.0
101.02438	46.4
102.02795	0.8
113.45161	0.4
133.01424	0.5
135.04495	0.4
145.01421	100.0
146.01784	2.2
146.04588	0.5
156.98190	0.8
160.04051	2.0
161.04376	0.6
182.97031	1.8
184.99733	0.4
200.97174	5.4
201.97516	0.5
210.99094	0.5
238.92728	0.6
243.98853	0.9
268.97394	0.6
294.95432	1.0
312.96371	5.2
366.08276	0.8
366.94446	50.3
367.94672	3.0
467.91000	0.5
611.21552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16544	1.0
58.00584	1.3
59.01377	51.9
61.98829	10.1
66.58089	1.1
66.58430	1.0
69.03459	1.6
71.01379	31.3
71.40735	1.8
72.23437	1.2
72.99310	3.5
73.02959	5.1
78.95898	2.6
81.03476	1.3
83.01389	4.3
83.05026	1.4
85.02953	5.4
87.00874	7.0
89.02438	27.5
89.02945	1.7
93.30584	1.1
95.01371	1.8
97.02950	4.8
99.00887	2.6
101.02432	23.4
109.02892	1.4
113.02443	13.1
115.00396	1.7
119.03488	7.2
125.02435	9.9
133.01427	2.8
135.08170	2.5
139.03979	1.1
143.03479	3.3
152.68571	1.2
161.04568	7.7
163.07654	2.8
179.05577	5.6
179.07123	4.1
181.08701	5.0
182.32278	1.1
197.08194	4.9
207.10245	2.2
209.11797	11.7
211.13347	2.2
213.29591	1.3
221.06735	1.4
225.11397	1.9
227.12912	1.9
235.08234	11.5
245.15482	1.9
247.17081	1.2
251.20155	80.3
252.20444	7.6
253.09241	9.3
263.16528	4.0
279.23322	2.1
287.07715	2.9
291.19720	2.5
293.21143	11.0
305.08698	5.4
309.20602	2.0
323.09766	1.7
397.13477	100.0
398.13861	8.8
415.14529	34.2
416.15057	3.0
433.26688	1.2
649.34381	4.0
658.52106	1.3
665.42004	2.1
709.37634	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	707.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03447	0.5
59.01376	100.0
60.01709	1.3
61.98826	2.1
70.55191	0.8
71.01378	9.4
71.05003	0.3
73.02945	3.7
82.89293	0.2
83.01391	1.8
85.02940	5.2
85.03404	0.4
87.00882	0.5
89.02451	1.9
89.58426	0.2
91.61367	0.3
95.01389	0.5
96.95992	0.4
97.03003	0.3
99.00854	1.5
101.02437	10.5
111.00917	0.2
111.67826	0.3
113.02443	3.9
115.00423	0.3
119.03517	0.5
121.80790	0.2
129.02002	0.3
129.05600	0.4
133.01422	0.4
138.06929	0.4
138.22562	0.3
143.03525	0.6
151.07669	0.6
152.08443	0.8
153.09204	2.3
159.03036	1.0
161.04544	4.2
179.05716	0.2
189.07709	0.4
205.12363	0.9
219.16817	0.3
223.13481	0.9
235.11841	18.3
236.12317	1.2
277.12894	10.7
278.13412	0.9
321.12286	0.4
385.18561	2.3
386.18930	0.3
391.29916	0.3
470.99133	0.3
529.19592	0.2
620.97430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09906	0.9
55.01861	1.2
58.00590	2.0
59.01376	34.5
61.98827	27.5
69.03461	1.4
69.21158	0.8
70.99358	2.3
71.01376	35.0
72.99309	2.5
73.02934	5.8
77.86003	0.8
78.95901	2.9
81.03471	1.4
83.01391	3.6
83.05043	1.1
85.02937	6.3
87.00863	6.4
89.02438	26.7
93.03403	1.0
95.01392	2.6
97.02943	3.1
99.00854	1.4
101.02433	24.5
113.02444	11.3
115.00341	1.4
119.03466	7.7
125.02438	8.0
131.03513	1.2
133.01428	2.9
133.05107	1.2
135.04503	1.4
141.89052	0.9
143.03522	4.5
161.04512	6.7
163.11269	1.1
164.18274	1.0
179.05551	2.8
201.11295	1.3
201.59390	1.0
207.10223	1.9
209.11766	6.0
221.06549	1.6
225.11078	1.1
231.17474	1.1
235.08192	11.9
249.18568	64.9
250.18909	6.7
253.09259	4.9
277.21805	1.0
287.07684	3.8
291.19623	1.6
305.08707	4.3
306.66541	0.8
323.09811	1.1
397.13455	100.0
398.13782	9.5
415.14542	31.7
416.14590	2.2
597.47925	0.9
614.20685	1.2
647.33093	3.4
707.36090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.2
60.92386	0.6
61.73244	0.4
61.98827	14.2
67.63742	0.5
69.31223	0.4
69.49098	1.3
69.49511	1.8
71.01375	6.4
71.05018	0.9
72.99305	6.8
73.02961	0.8
79.67418	0.4
83.01408	0.6
83.05030	0.9
84.00858	0.4
85.02950	1.3
87.00872	0.5
88.98804	0.5
89.02453	1.8
93.03452	1.0
95.01409	0.5
96.96025	1.8
97.09944	0.4
97.99661	0.4
99.00853	3.3
101.02446	2.0
106.84592	0.5
108.02155	1.2
109.02950	0.6
109.06535	0.6
113.02469	2.1
114.18348	0.4
115.00340	3.2
117.03478	0.6
119.05021	100.0
119.73998	0.4
120.05359	4.0
121.02928	0.9
125.09682	0.7
127.11259	0.5
133.01442	3.9
133.02902	1.1
133.06592	0.9
134.01700	0.5
134.03764	0.5
135.04538	2.0
135.20038	0.5
137.98264	0.5
140.56226	0.6
145.02975	1.6
152.01129	1.6
159.02963	0.5
159.04445	0.5
161.04665	0.6
161.06065	1.1
161.09697	0.5
163.03998	62.2
163.11261	1.0
164.04362	2.0
170.29703	0.4
171.10222	1.5
173.44173	0.4
174.01682	0.6
178.02696	0.6
179.03447	1.8
181.12344	0.9
187.11270	0.6
191.05669	0.9
197.11818	1.2
198.12132	0.6
199.13350	1.6
201.11290	2.6
202.11690	0.6
205.05084	1.0
207.10207	0.8
208.10335	0.5
209.11813	4.1
210.12148	0.7
213.49619	0.5
223.13383	5.4
224.13652	0.5
225.11282	1.8
227.12769	0.7
243.12274	1.0
253.09261	1.2
267.12299	1.8
275.09348	0.6
309.20679	0.9
402.62326	0.5
439.12357	1.7
457.13474	49.3
458.13873	5.7
647.22937	0.6
663.32495	0.8
689.34229	2.5
689.43634	0.5
706.33307	0.6
707.25128	44.1
708.25671	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	706.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36909	0.2
53.64703	0.3
56.85633	0.2
57.03436	0.3
59.01372	1.8
59.42250	0.2
71.01386	4.2
73.02945	1.0
80.95877	0.2
83.01392	0.3
85.02936	1.9
89.02428	0.3
91.05518	1.5
92.05075	0.5
96.96016	0.7
99.00893	0.6
101.02439	2.3
101.03960	5.0
111.90639	0.3
113.02464	1.6
115.00352	0.7
117.03464	2.4
119.05022	100.0
120.04556	0.4
120.05352	3.8
125.02428	0.3
131.03767	3.0
132.04558	8.0
133.01450	1.9
133.02948	0.3
135.04549	0.3
143.03484	0.3
144.34511	0.3
158.06079	0.6
159.03017	0.4
161.04575	3.4
163.03996	5.5
164.04329	0.4
174.05612	0.4
179.03500	0.4
191.05611	0.4
203.05646	0.3
276.08701	0.4
325.09262	38.3
326.09573	3.9
336.10748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62221	0.1
59.01374	1.9
61.24372	0.1
61.98825	100.0
62.98521	0.2
70.59542	0.2
73.21162	0.1
73.97855	0.1
78.95905	0.3
80.44511	0.1
82.93686	0.1
130.39053	0.1
133.01364	0.1
133.78461	0.1
152.99585	0.2
201.11302	0.2
209.11792	0.3
277.21811	0.2
278.05212	0.1
279.23288	0.2
444.20374	0.1
462.80267	0.1
483.15448	0.2
484.15842	0.3
498.17484	0.1
500.18600	0.1
557.18945	0.4
558.19153	0.9
574.15594	0.2
575.15802	0.2
589.17273	0.2
644.22986	0.4
704.23676	2.3
704.42139	0.3
705.23291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89144	0.2
55.01869	0.2
58.00565	0.2
59.01374	1.9
61.98823	1.6
71.01379	3.7
71.05024	0.2
72.99267	0.2
73.02956	0.5
80.02689	1.1
81.03457	1.0
83.01370	0.5
83.05023	4.2
84.02154	0.7
85.02932	0.4
87.00874	0.7
89.02435	1.4
95.05010	0.5
96.95998	0.4
97.06586	0.3
101.02447	2.0
109.06573	0.2
113.02432	0.9
115.00380	1.7
115.50140	0.2
119.03497	0.5
125.06062	0.5
127.11381	0.2
133.01428	2.3
133.02934	1.5
134.03676	0.7
135.04501	0.8
135.08147	0.6
137.02412	0.5
139.04135	0.2
147.11778	0.2
161.04562	0.8
163.11264	3.4
164.11577	0.3
165.12852	2.0
169.12331	0.3
171.10269	1.1
177.01884	0.6
178.02705	1.9
179.03354	0.8
179.05592	0.2
181.08643	0.2
181.12354	0.6
191.05435	0.2
191.10799	0.7
197.11681	0.2
207.10242	0.3
209.11807	100.0
210.12146	6.9
211.13409	0.3
225.11298	0.4
227.12872	14.8
228.13197	0.9
235.08238	1.4
247.13271	0.2
253.09285	5.7
259.15347	0.3
445.20840	1.8
446.20337	0.3
509.21512	0.2
625.27191	0.2
637.32336	0.8
655.33295	0.3
687.32257	0.5
729.15009	0.3
729.51379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	41.0
61.98839	1.0
63.35677	0.3
71.01380	3.2
71.51534	0.4
72.99300	5.4
74.07047	0.3
76.92558	0.3
80.16801	0.4
81.44686	0.3
89.02466	0.4
101.02497	0.4
103.05511	1.7
109.02986	0.5
115.00369	6.5
119.05020	6.0
123.04552	0.4
125.02469	0.4
127.24477	0.4
133.01424	9.9
133.02913	0.7
134.03716	0.3
135.04524	7.6
137.02419	0.8
147.04510	100.0
148.04852	4.6
149.06038	0.7
153.05583	0.5
159.04501	0.9
165.05557	89.1
166.05908	3.8
168.83917	0.3
174.03232	0.8
179.03455	1.8
195.76764	0.3
197.04431	0.4
201.09239	0.4
203.03452	0.4
207.06604	62.3
208.06969	4.0
217.08441	0.3
229.08720	1.7
231.10187	0.5
241.08716	0.7
241.75235	0.3
251.05586	0.5
255.06549	0.8
257.08105	0.8
267.06750	0.9
268.07294	0.4
273.07700	1.2
337.14328	0.4
347.12836	0.5
365.13892	1.4
383.15054	0.4
391.11734	0.5
397.13321	0.5
409.12891	1.9
410.13376	0.5
427.14014	1.9
428.14145	0.5
453.11871	2.6
471.13028	2.9
699.76947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95230	0.2
54.52807	0.2
59.94083	0.2
61.98827	100.0
71.51318	0.3
78.95907	0.5
80.64858	0.2
94.40430	0.3
96.95985	0.3
117.29097	0.2
125.06097	0.3
143.07164	0.5
144.07451	0.3
189.30392	0.2
203.42740	0.2
207.99657	0.3
209.11604	0.2
225.34387	0.3
255.23265	0.4
278.96088	0.3
295.22836	0.3
363.47937	0.2
503.73575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91734	0.1
59.01378	0.3
61.98827	100.0
62.98542	0.1
66.97050	0.1
78.95926	0.3
83.42082	0.1
98.19958	0.3
152.99701	0.1
171.10268	0.8
172.10629	0.4
173.10883	0.2
220.47954	0.1
249.18713	0.2
250.18980	0.2
255.23381	0.2
260.97739	0.1
279.23416	0.1
424.66687	0.1
526.14056	0.1
687.63593	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	702.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84191	0.5
61.98829	2.3
65.00327	1.1
69.29498	0.5
69.96001	1.0
69.96385	1.1
80.92164	0.5
92.43567	0.5
93.03442	0.8
97.02929	0.7
98.20642	0.6
109.02940	1.4
115.00349	1.4
117.51323	0.5
121.02930	3.0
133.01387	2.7
135.04523	2.1
145.03029	0.4
149.02399	0.6
149.99538	0.6
157.66855	0.6
157.73698	0.4
163.00377	0.4
165.01903	9.6
166.02238	0.5
179.03438	0.7
193.01373	1.3
199.04012	1.1
200.04828	0.5
226.02690	1.2
227.03448	1.2
239.00868	0.4
241.08641	0.7
243.03026	2.8
254.02150	1.1
255.02841	1.1
268.63177	0.5
269.04523	1.7
270.01624	0.5
271.02448	32.5
272.02844	3.2
285.03992	1.5
287.05487	1.1
299.01938	65.0
300.02411	8.3
314.04288	72.0
315.04977	27.5
316.05228	2.6
408.99564	0.5
409.12564	1.1
427.13727	0.6
448.63086	0.5
453.11884	1.1
470.62656	0.5
471.13080	0.6
639.15601	100.0
640.15948	18.8
640.26599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37549	0.3
61.98826	100.0
71.51940	0.3
78.95895	0.4
102.64006	0.3
118.85268	0.3
131.63635	0.3
196.80244	0.3
209.11842	2.4
210.12231	0.4
253.09326	0.4
253.21797	1.0
254.22092	0.6
255.23300	3.5
295.22858	0.8
309.57330	0.3
403.40616	0.3
623.56787	0.3
701.47461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90963	0.6
59.01377	100.0
61.45124	0.6
61.98829	11.2
71.01386	0.7
71.32697	1.0
89.54492	0.7
104.10235	0.5
168.27315	0.6
171.10214	1.3
172.10628	1.0
217.18190	0.6
242.00931	0.6
250.18961	0.6
297.27209	0.7
320.48972	0.7
343.05795	0.7
437.12732	0.9
438.13208	4.2
439.13553	1.0
440.13071	0.7
452.05591	0.6
452.14960	2.1
468.13718	0.8
480.14511	1.1
481.15158	30.2
482.15353	7.2
495.16779	10.5
496.17099	2.6
497.18350	6.7
498.18607	1.1
514.15112	2.7
523.16034	0.9
525.14380	0.7
539.15649	2.0
540.16302	7.4
541.16687	1.9
553.16925	0.8
554.17902	3.7
555.18835	57.0
556.19147	13.1
572.15509	15.9
573.15607	4.1
586.17133	6.0
587.17249	1.2
600.20038	0.8
609.19958	1.9
627.20587	1.5
628.22125	0.9
630.89673	0.7
641.22510	27.0
642.22687	9.3
701.24628	75.7
702.24847	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98709	0.4
55.01873	2.9
57.03445	2.6
58.00577	1.0
59.01376	23.1
61.54478	0.4
61.98825	4.2
66.71854	0.4
69.03436	1.7
70.48842	1.3
71.01376	43.5
72.01722	0.7
72.99291	2.1
73.02941	13.9
75.00875	0.8
83.01385	7.0
85.02943	20.1
86.00063	0.6
86.03248	0.4
87.00874	1.9
89.02440	10.2
93.03436	0.5
94.73381	0.3
95.01376	3.3
96.95960	0.6
97.02936	1.8
99.00880	4.9
99.04454	0.4
101.02437	34.8
111.00867	1.4
111.35217	0.4
113.02441	15.3
115.00392	2.2
119.03503	3.3
125.02441	2.0
129.01920	0.6
131.03474	0.9
133.01425	2.9
135.04503	0.9
139.27031	0.4
143.03485	3.2
159.02969	3.2
161.04541	13.5
161.05884	0.9
162.04839	0.4
163.03902	0.4
174.01749	0.5
178.02708	0.4
179.03363	0.7
179.05563	1.4
202.64551	0.4
221.06693	0.7
233.06665	0.7
240.76791	0.4
259.06461	0.4
263.07547	1.0
281.88126	0.4
291.33170	0.4
317.21191	6.6
318.21429	1.0
387.21692	0.5
479.26486	16.6
480.26685	1.6
641.31726	100.0
642.32037	20.2
702.86017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67427	0.2
54.11533	0.2
59.01375	16.1
61.98825	0.6
64.51816	0.3
71.01371	1.5
73.02968	0.3
75.42667	0.2
78.95916	0.5
78.96403	0.2
81.50104	0.2
84.20264	0.3
85.02940	0.3
88.26641	0.2
88.36577	0.2
89.02440	1.4
98.19848	0.6
98.35816	0.3
101.02457	1.3
101.55368	0.3
113.02457	1.0
116.40840	0.2
119.03470	0.5
125.09712	0.7
127.11286	1.4
143.07149	0.4
150.29169	0.2
152.99590	0.3
153.09106	0.3
161.04539	0.8
171.10257	100.0
172.10596	5.1
178.85298	0.2
179.05574	0.4
209.11871	2.2
210.12032	0.3
214.96889	0.3
231.17650	0.3
235.08188	1.6
249.18575	44.7
250.18935	3.9
253.09268	5.4
253.21729	2.2
255.23149	0.6
277.21802	0.8
293.21143	0.7
295.22723	0.7
407.19162	2.9
463.24951	0.6
477.56708	0.3
485.27554	0.5
612.19104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67538	0.5
52.67226	0.5
55.02904	0.5
59.01373	18.8
61.98820	0.8
69.03478	0.6
71.01385	2.2
78.95905	1.1
87.00886	0.6
89.02451	1.6
95.05019	1.0
97.06575	3.5
99.08173	1.4
101.02443	2.4
113.02449	1.0
125.06071	38.8
126.06410	1.0
133.01642	0.6
143.07127	81.8
144.07445	2.4
161.04512	1.0
201.11305	1.2
235.08214	3.1
253.09265	8.7
253.21596	0.6
254.09752	0.8
255.23181	1.0
258.07364	0.6
271.98587	0.6
275.20120	0.6
277.21692	100.0
278.22037	9.2
279.23215	1.4
293.21198	1.4
463.24756	1.1
513.30475	0.6
587.20117	0.5
699.45343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.7
59.01110	4.8
59.01379	54.8
61.98821	12.7
71.01369	30.1
72.99305	3.8
73.02943	4.2
83.01407	4.2
83.05020	7.9
85.02951	6.0
87.00893	7.5
88.98694	3.2
89.02451	12.0
96.96033	6.8
97.06564	3.5
101.02427	15.5
109.06612	5.0
111.08130	6.4
113.02432	8.4
115.00356	17.2
125.02532	3.7
125.09727	12.0
133.01454	19.1
134.17879	2.6
135.04506	8.4
137.09770	3.2
139.07594	4.6
145.05124	3.7
171.10246	68.5
172.10609	4.5
178.02734	4.7
179.03365	3.3
185.11877	3.9
191.05638	4.3
195.10283	3.1
199.09778	3.3
205.15933	5.3
209.11888	7.4
211.13409	10.0
215.14262	3.3
231.13879	5.7
233.15398	19.9
235.08167	6.3
249.14938	29.9
253.09145	5.4
305.05743	3.2
348.92227	2.8
367.22946	3.8
375.25375	4.1
385.23764	19.0
403.24948	33.3
404.25110	6.3
421.26035	10.3
463.24271	3.6
485.23529	4.0
611.33972	4.1
621.32727	92.4
622.33252	12.7
639.33801	100.0
640.33960	18.3
655.40668	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	699.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01374	21.8
61.98829	1.9
71.01379	16.4
71.27794	1.8
72.99300	6.8
73.02934	2.7
74.09749	0.9
82.42149	0.9
83.05007	0.9
85.02946	1.7
87.00886	1.3
87.04511	1.3
89.01983	1.2
89.02453	8.6
96.96013	1.2
101.02447	4.5
107.05009	1.9
109.02925	1.3
113.02437	4.1
115.00373	11.5
119.03519	4.3
119.04878	0.9
121.02965	1.3
121.06597	1.4
123.08178	1.2
125.02428	0.9
133.00468	1.3
133.01430	16.1
133.02933	2.5
134.03763	6.0
135.04517	100.0
136.04825	3.8
137.02432	2.1
137.09695	2.0
139.11272	9.6
144.05809	1.7
152.01125	1.5
155.10745	9.1
155.47363	0.9
159.08174	1.9
161.02396	10.5
161.06018	1.1
177.05589	1.6
177.09151	5.6
178.02654	2.2
179.03484	75.3
180.03806	4.6
181.08696	1.5
181.12328	5.2
183.10243	9.7
199.09738	4.7
199.13371	3.5
209.11801	1.4
221.11781	1.6
225.11218	3.6
226.43907	0.9
241.10735	1.8
243.12326	12.4
247.00862	1.1
293.06583	1.7
341.08701	1.7
437.05682	0.9
455.12024	7.1
473.13513	1.9
489.18866	1.1
519.20111	7.6
583.27521	36.5
584.27838	5.5
638.30444	1.1
639.22528	2.8
681.23456	3.1
682.23700	1.1
699.24957	88.2
700.25262	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
58.00598	0.6
59.01377	8.7
60.93011	0.4
61.98843	0.6
66.74091	0.4
69.67445	0.8
69.67847	1.5
71.01378	12.3
72.99304	1.5
73.02954	1.5
73.41436	0.5
81.07436	0.4
85.02945	2.0
87.00890	0.6
87.04505	3.9
89.02437	3.1
97.02974	1.1
99.00883	0.5
99.04523	0.6
101.02425	2.6
107.05005	0.8
108.75082	0.4
109.02963	0.7
109.06557	0.6
110.03291	0.4
111.08129	0.4
113.02441	1.8
115.00365	14.6
119.03521	1.3
121.02962	0.7
121.06579	4.1
122.06977	0.4
123.08167	1.1
125.06046	0.5
127.07662	0.5
131.08682	0.6
133.01428	5.7
133.02940	0.8
133.06618	0.6
134.03714	1.5
135.04521	26.4
135.08156	1.8
136.04865	1.0
137.02498	0.6
137.06082	0.5
137.09718	6.0
139.07669	0.7
139.11304	3.5
144.05794	5.5
148.05309	0.6
149.06128	0.5
149.09729	3.0
151.07648	1.7
151.11354	0.7
152.01117	0.7
155.10777	36.4
156.11115	1.8
159.08168	4.2
161.02470	2.5
161.06076	1.1
161.09753	1.0
163.07646	0.5
169.12338	1.6
175.11288	1.0
177.01881	0.5
177.09206	15.3
178.09601	0.9
179.03491	20.5
179.10722	2.7
180.03874	0.7
181.08691	2.5
181.12361	1.7
183.10268	2.9
188.08495	0.6
191.10782	1.8
193.12442	0.8
195.10188	1.1
199.09758	13.3
199.13367	1.1
200.10201	0.9
203.10693	2.8
205.08702	1.3
209.11778	0.6
213.11308	1.4
221.11797	5.0
225.11310	1.5
227.12708	0.6
237.11304	0.7
239.12904	0.9
241.10815	4.6
243.12363	4.2
253.10800	0.7
255.12337	1.6
283.11823	4.8
284.12265	0.6
293.06726	0.6
323.07465	0.5
343.13983	0.8
455.11929	2.7
473.13065	0.5
489.19098	0.5
519.20410	2.8
520.20868	0.5
583.27557	100.0
584.27942	17.8
639.22699	1.1
681.23822	0.9
699.25122	25.2
700.25342	5.3
728.70001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49989	0.3
57.03441	0.6
59.01377	8.5
61.98826	1.1
71.01370	2.6
72.99310	2.8
73.02939	1.7
74.42422	0.4
85.02954	0.7
85.04015	0.3
88.98798	1.2
89.02442	0.8
101.02468	0.7
107.05054	0.8
108.02159	0.4
109.03030	0.4
113.02430	1.2
115.00368	2.6
117.03461	0.4
125.02487	1.0
133.01431	5.4
133.02963	1.4
134.03745	3.7
135.04517	89.1
136.04855	3.8
137.02469	0.5
137.09720	0.5
139.11282	8.4
145.08707	1.6
151.13252	0.4
153.18155	0.4
159.04475	1.0
174.01697	0.4
177.01955	0.8
177.05591	0.4
178.02730	1.7
179.03487	100.0
180.03839	4.3
181.12317	4.3
183.10252	8.3
187.02452	0.6
187.09673	0.7
189.05655	0.4
199.13420	2.0
221.04562	0.4
225.11340	2.6
231.16005	0.6
243.12338	10.3
243.14673	0.8
244.12898	0.6
323.07651	0.5
334.01175	1.1
341.08725	1.2
449.08911	0.4
455.12006	6.3
456.12170	0.7
473.12912	1.7
477.19077	0.7
489.19183	1.4
507.20331	0.9
519.20715	3.1
520.21063	0.5
567.20679	0.5
639.22748	2.9
681.24371	2.6
699.24982	70.1
700.25299	14.6
700.37469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01377	20.7
61.98823	1.6
64.34294	0.8
69.03435	0.9
69.97603	3.5
71.01379	17.5
72.99317	5.5
73.02942	3.0
85.02940	2.9
87.04491	3.1
89.02443	8.9
95.05018	0.9
97.02959	1.2
98.20611	1.0
101.02431	5.5
107.05065	1.5
108.02199	1.0
109.02923	1.5
113.02427	3.0
114.39799	0.8
115.00359	12.9
118.08733	0.9
119.03456	3.0
121.02928	1.7
121.06564	1.3
131.08629	1.1
133.01421	7.3
133.02934	2.6
134.03758	6.3
135.04520	100.0
136.04843	3.5
137.02367	1.5
137.09761	4.4
139.07722	1.0
139.11290	11.4
144.05782	4.0
147.04529	1.2
149.06021	1.2
149.09673	1.9
151.07555	1.6
155.09608	1.4
155.10783	22.0
159.04500	1.2
159.08128	2.3
161.02429	9.0
161.04530	1.1
161.06056	1.4
169.12231	1.2
175.03992	1.2
176.39648	0.9
177.01924	1.1
177.05569	1.4
177.09181	8.5
179.03487	75.9
179.10591	1.3
180.03798	3.7
181.08665	1.4
181.12315	5.6
183.10248	9.2
189.05473	0.8
191.10649	0.9
195.10262	1.1
199.09718	10.5
199.13333	3.3
213.11182	1.0
214.15770	0.8
221.11841	2.7
225.11223	3.3
237.53273	1.0
241.10687	2.3
243.12347	12.8
244.12807	1.4
246.52528	1.0
283.11774	2.6
293.06638	2.5
341.08612	2.4
343.13992	1.1
455.11908	7.7
456.12396	1.2
473.12921	1.5
489.18903	1.0
505.03665	0.9
519.20349	9.4
520.20636	1.6
583.27545	65.0
584.27911	12.0
639.22675	4.2
640.23975	1.1
681.24188	3.0
699.24976	82.4
700.25403	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	697.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.5
64.04778	0.3
70.76283	0.4
71.01376	10.3
72.01727	0.3
72.99299	1.6
87.00879	0.5
89.02429	1.3
96.96047	0.3
105.03421	0.3
107.05031	0.7
112.74660	0.2
115.00365	28.3
116.00692	0.7
117.03384	0.2
130.06062	0.2
133.01421	100.0
134.01740	2.1
134.03761	2.0
135.04514	25.0
135.30786	0.2
136.04836	1.0
149.06244	0.2
177.01904	0.6
178.02243	0.4
179.03485	26.0
180.03822	1.4
189.05431	0.2
206.60936	0.2
278.96823	0.2
295.04547	6.3
296.05029	0.4
299.18085	0.3
359.10449	0.4
519.14703	0.3
581.13593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
56.54810	0.4
57.03430	1.3
59.01374	9.9
59.91106	0.5
61.98818	1.8
69.03413	0.6
70.44503	1.4
70.64327	0.5
71.01371	7.0
72.99301	1.7
73.02940	1.3
79.85874	0.5
83.01395	1.0
85.02951	3.3
87.00873	1.2
89.02439	1.3
95.01396	1.2
96.95998	0.8
97.02942	0.7
99.00873	2.2
99.04460	0.5
101.02431	2.0
108.02165	53.5
109.02981	12.5
113.02446	2.8
115.00358	3.5
119.05002	0.8
121.02968	1.2
122.03764	0.6
123.00885	0.9
123.04522	1.1
127.45908	0.5
133.01422	4.7
133.02940	0.9
134.03714	1.4
135.04509	13.6
135.05533	0.8
136.04825	0.5
137.02409	1.3
151.03990	1.9
152.01138	100.0
153.01762	5.6
155.55821	0.4
161.02484	0.9
161.04555	2.0
161.09688	0.9
163.04004	5.3
163.11285	0.7
166.38643	0.4
174.06990	0.5
175.03984	0.7
177.01926	1.3
177.05666	0.5
178.02611	0.6
179.03473	10.4
180.03844	0.5
187.11165	0.7
191.05652	0.7
207.02879	1.3
223.13387	1.2
241.10721	0.5
253.24931	0.5
267.12573	0.6
271.08163	0.6
303.63428	0.5
315.07242	1.6
325.01395	0.5
326.10376	1.2
401.09735	1.0
403.12265	1.4
429.10315	7.7
430.10385	0.5
447.11380	25.2
448.11932	2.5
455.11847	1.6
460.58475	0.5
473.12823	2.1
529.15460	0.7
637.22046	1.1
653.24530	2.3
654.24506	0.7
679.21960	1.1
697.23425	87.9
698.23700	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	697.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03454	1.1
59.01376	7.4
61.98827	1.9
69.67292	2.3
71.01382	6.9
71.05003	0.5
72.99300	1.4
73.02943	1.6
83.01364	0.9
83.05016	0.6
85.02956	3.5
87.00876	0.8
88.98797	0.8
89.02433	1.5
93.03442	0.4
95.01381	1.7
97.02959	0.8
99.00882	2.3
101.02449	2.4
107.01389	0.5
107.04995	0.8
108.02168	53.9
108.99738	0.4
109.02970	17.6
110.03315	0.5
113.02434	2.7
115.00344	1.2
119.05024	0.6
121.02930	1.0
122.03710	0.5
123.00890	0.7
123.04486	0.5
125.02472	0.4
133.01392	3.0
133.02934	0.8
134.03729	0.5
135.04552	3.2
137.02412	0.8
145.02867	0.4
151.00278	0.4
151.04021	2.8
152.01143	100.0
153.01926	7.5
161.02431	0.4
161.04553	1.4
161.09744	0.6
163.03993	5.1
164.04416	0.5
174.01691	0.6
177.01894	1.7
179.03471	2.5
191.05627	0.6
205.12334	0.7
207.02893	1.1
223.13399	1.1
253.07146	0.5
271.08218	0.8
281.09232	0.4
315.07172	3.0
341.08218	0.5
401.09723	0.9
402.10953	0.5
403.12454	1.3
423.55798	0.5
429.10281	6.8
429.15604	0.7
447.11389	29.4
448.11707	3.2
653.24451	1.7
654.24072	0.7
679.22382	0.8
684.32922	0.5
697.23438	87.1
698.23761	17.0
698.35889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03447	0.3
58.00600	0.3
59.01376	12.8
61.98828	0.9
69.03454	0.2
71.01378	4.1
71.51925	0.3
72.99309	0.3
73.02940	0.9
78.95912	0.2
80.02649	0.4
81.03444	1.2
81.73170	0.2
83.01388	2.6
83.05020	12.8
84.02155	0.6
84.05343	0.4
85.02956	1.2
87.00876	0.9
89.02438	2.3
95.01404	0.3
95.05032	0.8
95.36911	0.2
97.02952	0.2
97.06580	1.2
101.02428	4.0
107.05040	0.3
109.06590	1.9
113.02431	1.8
118.49544	0.2
119.03497	0.8
119.08652	0.2
122.40032	0.2
125.02464	0.3
131.03532	0.2
133.05087	0.4
133.51802	0.2
134.44534	0.2
135.08159	4.2
136.08507	0.2
136.47435	0.2
137.09723	2.2
145.05090	0.7
161.04536	1.5
163.07620	1.5
165.12741	0.3
171.10271	0.3
179.05598	0.3
181.08690	65.3
182.09029	3.8
183.13885	4.0
184.14235	0.3
199.09735	5.3
200.10017	0.2
209.11870	0.8
225.11301	0.3
227.12805	0.3
235.08191	4.4
249.18549	1.4
253.09265	11.2
254.09598	0.6
259.20605	0.5
275.20035	0.4
277.21695	100.0
278.22043	10.2
311.22424	0.3
357.84982	0.2
369.65421	0.2
439.60352	0.2
553.70203	0.2
695.40112	2.9
696.40515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01711	1.2
61.98833	1.6
69.15816	1.9
69.16250	1.9
71.01360	1.8
88.78634	0.4
111.04728	0.4
114.84476	0.3
115.00356	1.4
121.02921	1.8
133.01434	1.2
135.04520	0.4
145.93077	0.4
171.10240	1.8
178.02705	0.5
191.03485	0.8
197.11836	1.1
209.04523	0.7
209.12004	0.4
253.14659	0.4
289.18121	0.7
307.19553	0.6
309.20773	0.8
310.17560	0.5
310.21082	0.4
593.13092	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	697.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01377	9.8
61.98822	4.2
67.07288	0.4
68.59186	0.5
69.03455	0.7
71.01376	8.5
71.51558	0.7
72.99308	1.5
73.02944	2.2
79.17282	0.4
79.87148	0.5
80.67926	0.5
83.01375	0.7
85.02953	4.0
87.00870	0.6
88.98819	1.1
89.02439	1.8
95.01389	1.4
99.00868	2.2
99.67757	0.5
101.02432	2.8
101.57793	0.6
108.02166	54.8
109.02982	13.5
110.03259	0.6
113.02439	2.4
115.00346	2.4
117.49711	0.5
121.02911	1.2
123.00905	1.2
123.04468	0.8
126.65115	0.5
133.01424	2.9
133.02933	1.1
134.03740	0.7
135.04521	2.7
148.05127	0.5
151.03973	1.9
152.01138	100.0
153.01901	6.9
161.02396	0.5
161.04536	2.6
163.03986	4.8
163.11240	0.6
175.03954	0.7
177.01886	1.7
179.03448	2.2
180.13689	0.5
181.08682	1.7
182.08943	0.5
187.11186	0.6
189.09341	0.6
205.12343	1.0
207.02875	1.0
209.11800	2.5
210.12114	1.7
211.12408	0.6
220.90390	0.6
223.13377	1.1
227.12868	1.0
271.08093	1.0
271.57715	0.6
308.40067	0.5
315.07266	2.8
403.12338	1.7
429.10309	8.4
430.10892	0.6
447.11392	31.0
448.11710	3.1
635.23413	0.7
637.21417	1.5
653.25153	3.0
653.33771	0.6
654.24072	0.9
679.22681	1.3
697.23401	85.5
698.23682	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	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00775	0.2
55.01884	0.2
58.00584	0.2
59.01068	0.2
59.01375	4.2
61.98827	1.0
68.36234	0.2
69.03446	0.2
70.64664	0.2
70.64978	0.2
71.01376	2.9
71.27570	0.1
72.99296	0.2
73.02949	0.6
76.49010	0.2
80.02670	1.0
81.03467	1.0
83.01386	0.5
83.05024	5.5
84.02158	0.7
85.02927	0.8
87.00886	0.5
89.02438	2.1
95.01362	0.3
95.05025	0.8
96.95997	0.2
97.02963	0.2
97.06590	0.3
101.02441	2.4
109.06576	0.4
111.40179	0.1
113.02439	1.1
119.03471	0.6
121.03159	0.1
125.02374	0.2
125.06067	0.5
125.09712	0.2
135.08177	0.9
137.09724	0.4
137.71222	0.2
143.03557	0.2
147.11841	0.2
161.04544	0.9
163.07637	0.3
163.11287	2.9
164.11665	0.2
165.12848	1.8
165.32477	0.2
175.96880	0.2
179.05562	0.4
181.08690	5.3
181.12355	0.6
182.09055	0.2
191.10751	0.7
199.09799	1.4
199.13434	0.3
205.19652	0.3
207.10345	0.2
209.11812	100.0
210.12141	6.4
225.11348	0.2
227.12874	12.1
228.13074	0.8
231.17613	0.4
233.22247	0.2
235.08206	1.6
249.18573	45.7
250.18898	4.5
251.52264	0.1
253.09262	8.8
254.09584	0.4
255.23021	0.2
277.21695	9.3
278.22040	1.1
296.26788	0.2
435.18228	0.2
445.20749	1.0
463.21609	0.3
695.40027	0.5
696.41162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78239	0.2
55.01870	0.2
59.01372	3.3
61.98821	2.0
69.13505	0.2
71.01376	2.6
73.02942	0.4
80.02676	1.1
81.03450	1.1
81.50745	0.2
83.01404	0.4
83.05014	4.6
84.02170	0.7
85.02960	0.4
87.00858	0.5
89.02441	1.7
91.83456	0.2
93.03458	0.3
95.01373	0.2
95.05025	0.7
97.06588	0.2
99.04562	0.2
101.02431	1.9
109.06608	0.2
113.02457	1.0
119.03480	0.6
125.06062	0.4
129.46924	0.2
135.08131	0.8
139.94576	0.2
143.03465	0.3
145.04939	0.3
151.58273	0.2
155.43869	0.2
161.04533	0.9
163.11281	3.1
165.12848	2.2
168.42613	0.2
179.05571	0.4
181.08714	0.6
181.12329	0.5
191.10738	0.7
199.09862	0.4
199.13353	0.2
205.19594	0.3
209.11809	100.0
210.10072	0.2
210.12148	6.4
227.12862	10.6
228.13252	0.4
231.17638	0.4
235.08151	1.2
249.18564	42.4
250.18892	3.8
253.09264	7.1
254.09642	0.3
277.21762	1.4
277.24557	0.2
281.93530	0.2
415.32275	0.2
421.94659	0.2
445.20529	1.0
463.21338	0.2
695.39404	0.3
711.44879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
61.98826	2.2
71.01375	2.8
71.51213	0.4
73.02930	0.6
80.02676	1.0
81.03453	1.6
83.01354	0.4
83.05022	4.9
83.54953	0.2
84.02159	0.7
85.02947	0.5
87.00854	0.4
89.02442	1.8
95.05016	0.5
97.02851	0.3
97.06582	0.3
101.02423	2.2
109.06667	0.2
113.02422	1.4
119.03485	0.6
125.06129	0.4
133.01369	0.4
135.08157	0.6
143.03549	0.2
155.69080	0.2
161.04535	0.8
163.11293	2.8
164.11562	0.5
165.12828	1.8
171.10330	0.3
179.05560	0.5
181.08685	2.1
181.12315	0.5
191.10777	1.0
199.09763	0.7
199.13466	0.3
205.19574	0.5
209.11803	100.0
210.12151	6.3
225.11316	0.3
227.12863	10.3
228.13109	0.9
231.17599	0.3
235.08263	1.8
249.18559	45.0
250.18907	4.2
252.81447	0.2
253.09258	8.0
254.09468	0.4
277.21646	3.9
278.22031	0.6
445.20715	1.2
463.21689	0.5
695.40332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30119	0.4
59.01377	100.0
59.73066	0.6
60.01705	1.3
61.98829	2.3
64.18044	0.5
70.01920	1.7
74.88189	0.6
74.91066	0.5
78.95901	9.9
80.96524	1.5
120.68523	0.5
121.79178	0.5
147.84520	0.5
205.15968	0.6
210.26720	0.5
214.87935	0.6
388.27643	0.7
524.30817	0.6
695.30957	42.0
696.31250	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	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44293	1.4
61.98810	1.5
70.03275	6.6
71.01363	5.2
90.73578	1.7
108.04504	2.5
110.06107	3.3
115.00351	6.4
121.05331	2.8
122.06119	15.6
133.01392	6.4
133.02954	2.1
134.06111	17.8
135.04512	3.8
135.06879	3.1
136.03992	1.7
136.07666	6.3
138.05562	1.8
140.07178	26.2
144.04524	1.6
149.04784	6.5
150.05545	5.8
152.07185	3.7
161.04820	4.5
162.05585	13.5
164.03502	5.1
164.07153	16.6
166.05087	5.0
167.05782	2.3
172.04100	3.5
173.04648	2.5
174.05536	3.7
191.05583	3.1
204.06616	8.1
205.12282	1.7
211.08696	3.3
212.05977	10.4
212.09431	2.1
213.09941	1.7
224.09279	2.7
225.06709	4.9
225.10309	2.7
227.08167	1.7
227.11723	1.7
237.10266	6.5
238.07436	1.9
238.11063	1.5
239.08305	12.1
239.11798	2.7
240.08968	5.1
241.09814	3.0
243.11292	9.1
251.08194	3.8
251.11853	2.9
252.10167	5.1
252.12733	4.5
253.06259	15.3
253.09723	18.3
255.11423	7.5
259.10690	2.5
261.12405	6.6
265.06171	3.8
265.09787	2.3
266.06866	8.5
267.07822	18.3
267.11121	12.3
268.08569	11.5
268.12036	11.6
271.10828	4.4
273.12384	10.4
279.07684	10.9
279.11179	3.0
280.08508	33.6
281.09259	34.3
282.09692	4.3
283.10715	2.2
285.08749	4.4
285.12396	3.7
295.10852	100.0
296.11523	37.4
297.12393	21.4
298.12708	2.8
299.10233	6.6
300.11084	1.9
301.11823	7.3
303.13483	46.2
304.13565	2.5
311.09985	2.0
312.11063	1.9
313.11795	4.4
321.14478	4.4
327.13419	20.0
328.10513	4.5
339.09772	19.5
340.10315	7.1
341.11255	7.2
342.11667	2.1
353.13992	1.7
371.12427	28.2
372.13010	5.2
373.14172	8.0
390.14523	2.1
399.13885	2.3
404.15964	6.2
406.13855	2.0
407.14615	2.1
420.15369	2.8
435.17984	2.3
479.17041	2.5
480.17935	2.4
490.94940	1.9
511.19592	6.7
512.19830	2.7
557.23999	4.5
581.23633	2.7
599.25104	16.5
600.25244	2.9
601.14130	2.8
601.23004	29.5
602.23004	6.8
617.26196	7.2
633.25616	21.6
634.25317	3.2
643.24048	71.2
644.24316	16.5
661.25128	53.1
662.25427	13.2
675.26624	56.8
676.26849	12.4
693.27875	30.3
694.28009	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	691.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47763	1.0
59.01355	2.2
61.98819	2.2
70.73489	2.6
78.95898	37.5
80.02657	1.8
81.03447	1.4
83.05022	6.2
83.41291	1.0
91.44023	0.9
95.04970	1.1
96.96938	3.1
107.66753	1.0
126.73973	1.1
152.99571	59.0
153.99948	1.3
163.11278	5.7
165.12770	3.7
171.00592	6.8
181.12256	1.3
191.10715	1.8
199.13385	1.2
209.11803	100.0
210.12093	6.4
227.03191	3.7
227.12851	15.5
245.04231	1.6
253.21693	21.4
254.22040	2.2
277.21481	1.2
363.12140	6.3
435.17703	1.2
437.15826	6.5
455.16797	88.0
456.17139	7.7
512.38275	1.0
691.38153	88.0
692.38519	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	693.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46365	0.9
51.72408	1.0
59.01367	1.5
61.98819	1.5
64.43660	0.9
69.27638	8.2
71.01366	6.0
72.99229	1.2
86.18269	0.9
86.73362	0.9
89.02438	1.9
96.95970	1.4
101.02467	1.5
101.04395	0.9
106.06541	1.1
108.04524	1.7
113.02394	1.3
115.00349	4.2
121.05334	1.6
122.06078	4.5
133.01416	5.0
134.06110	6.2
135.04451	2.6
136.07614	1.7
140.07198	5.0
144.04558	1.6
146.05988	1.1
149.04765	2.5
150.05583	1.9
152.07133	1.6
160.04025	1.3
161.04816	5.1
162.05556	3.8
164.03493	1.7
164.07117	4.0
172.04027	1.0
174.05534	2.3
179.03357	1.2
183.10275	1.2
190.05049	1.7
191.05576	1.9
204.06625	6.8
209.05550	0.9
209.11809	7.5
211.08713	1.9
212.05885	9.0
212.09138	1.3
215.52760	1.0
225.06697	1.1
225.10181	2.0
227.12721	1.6
237.10262	7.7
238.07222	1.6
239.08186	6.8
240.08862	2.2
241.09758	1.4
243.11285	2.6
251.08226	2.0
251.11934	1.4
252.08908	1.4
252.10172	1.4
252.12611	6.7
253.06079	10.4
253.09787	8.7
253.13220	1.5
254.10205	1.5
255.11345	5.4
266.06888	3.1
267.07657	12.6
267.11273	6.3
268.08508	7.2
268.11948	7.1
271.10843	1.1
273.12247	3.0
279.07855	2.0
279.11258	2.1
280.08441	8.5
281.09241	19.4
282.09796	2.1
283.10748	2.1
285.08746	4.0
285.11987	1.1
295.10797	25.6
296.11588	23.2
297.12390	9.3
298.09537	1.4
298.12802	1.2
299.10254	6.3
300.10968	2.6
301.11841	4.7
302.12140	1.2
303.13428	7.9
311.10297	1.2
313.11902	4.0
327.13467	7.4
328.14032	1.7
339.09830	6.5
340.10464	3.8
341.11343	3.1
351.11826	1.4
371.12463	4.8
372.13010	3.4
373.14017	8.3
390.14417	4.9
397.13364	11.6
398.13889	2.2
404.16089	2.9
406.14136	1.9
415.14536	4.2
420.15564	2.1
434.13086	1.7
438.16397	1.2
448.15036	1.6
466.15909	4.1
466.62787	1.1
496.17218	1.3
506.22076	1.3
511.19617	11.6
512.19989	3.1
513.20721	1.3
607.26123	5.2
633.25586	22.9
634.25909	4.8
643.24048	8.0
644.24249	2.3
657.25269	1.2
661.24731	2.5
675.26636	100.0
676.26935	22.0
693.27588	50.4
694.27966	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.0
66.32491	2.5
70.43256	2.4
70.98901	6.2
71.10648	2.7
78.95898	39.6
83.05003	7.4
92.04671	2.4
96.96931	4.8
97.15693	2.6
152.99573	56.3
163.11371	5.3
165.12903	4.3
171.00677	4.9
187.23593	2.6
209.11815	100.0
210.12126	6.5
216.78859	2.5
227.03200	3.7
227.12918	15.8
237.21198	2.8
253.21710	15.8
254.22011	3.0
277.21567	3.3
283.87570	2.4
352.81128	2.7
363.11948	7.3
429.35068	2.8
437.15622	7.5
455.16861	81.1
456.17108	10.6
467.02094	2.6
657.07684	2.7
691.26392	5.0
691.38110	81.5
692.38361	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03442	0.5
58.00583	0.8
59.01379	14.4
61.98829	2.8
69.03458	0.6
70.89165	0.6
71.01379	13.9
72.99301	1.1
73.02947	2.1
75.00863	0.3
81.29327	0.3
83.01392	1.4
84.47715	0.2
85.02941	2.6
87.00878	2.6
89.02441	10.4
93.03500	0.3
95.01353	0.6
95.05025	0.3
96.96014	0.6
97.02947	1.6
99.00862	0.9
101.02441	9.2
113.02442	4.8
115.00356	1.0
115.04023	0.3
119.03503	2.6
125.02446	3.2
131.03497	0.6
133.01422	0.9
133.02953	0.5
135.04568	0.4
139.03952	0.3
143.03477	1.7
149.04550	0.3
161.04547	2.1
169.37552	0.3
171.10286	0.8
177.01941	0.4
177.12773	0.3
178.02711	0.7
179.03264	0.4
179.05624	2.8
179.14360	0.3
183.10237	0.7
191.05614	0.4
195.13893	7.2
196.14575	0.9
201.11342	0.5
205.12384	0.5
205.15926	0.3
209.11807	1.1
211.13371	1.1
221.06598	0.8
223.13385	4.8
224.13914	0.5
225.14925	0.3
228.13591	0.6
231.21124	0.4
235.08157	3.2
253.09241	0.9
256.13171	0.8
263.07767	0.6
275.20105	3.3
276.20401	0.4
277.09192	0.3
287.07626	0.5
293.21210	100.0
294.21524	10.1
305.08603	0.8
309.00577	0.3
323.09772	0.8
397.05887	0.4
397.13483	23.5
398.13879	2.0
415.14539	26.2
416.14920	2.5
654.27521	0.6
691.35675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48998	0.3
51.77961	0.3
55.01886	0.4
57.03437	0.7
58.00557	0.5
59.01373	6.4
61.98809	1.6
64.72430	0.4
67.01868	0.3
69.03439	1.6
69.28518	3.3
71.01378	5.0
71.05012	1.0
72.99294	0.3
73.02935	1.0
76.68708	0.3
80.02670	1.0
81.03449	1.6
83.01362	1.1
83.04533	0.4
83.05018	7.4
84.02168	0.9
85.02940	1.0
87.00863	0.7
87.25224	0.4
89.02441	2.8
93.03465	0.5
93.93484	0.4
95.05021	0.9
97.06564	0.9
101.02436	3.6
109.06573	1.0
113.02448	2.1
115.00353	1.1
119.03464	0.8
123.08159	0.7
125.02399	0.4
125.06067	0.5
125.09700	1.4
127.11275	1.4
133.01395	1.7
133.05074	0.4
134.03761	0.4
134.72333	0.4
135.04535	0.7
135.08177	1.7
137.09700	0.8
151.11253	0.8
153.12837	0.8
159.04381	0.3
161.04581	1.2
161.09686	0.9
163.07677	0.5
163.11285	2.7
165.09114	0.4
165.12813	2.2
166.37253	0.3
171.10258	1.5
178.02652	0.6
179.05524	0.4
179.10815	2.0
181.08673	6.2
181.12248	0.5
191.10704	0.6
197.11815	29.7
198.12209	2.4
199.09830	0.8
201.11314	22.0
202.11702	1.1
209.11803	100.0
210.12117	6.5
223.09790	0.9
227.12872	15.5
228.13199	1.0
235.08180	3.5
241.10800	2.0
253.09265	9.6
254.09544	0.6
259.16342	0.4
275.09076	0.4
278.83923	0.4
375.21716	0.7
376.22601	0.5
393.22754	0.5
437.20450	1.0
445.20764	3.3
463.21658	0.6
477.19760	1.3
575.32721	1.0
595.10223	0.4
637.32086	0.8
646.55493	0.4
659.29163	31.1
660.29712	6.4
691.32092	9.4
692.33057	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	691.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03432	0.6
59.01378	8.0
61.98823	1.2
62.66364	0.4
67.18652	0.3
69.03440	1.7
71.01375	5.0
71.05003	0.9
72.99317	0.4
73.02950	1.0
80.02666	1.2
81.03453	1.8
83.01376	0.8
83.05020	8.4
84.80444	0.4
85.02945	0.8
86.23719	0.3
87.00869	0.7
89.02434	3.2
95.04995	0.8
97.06570	0.7
101.02437	3.6
109.06552	1.0
113.02443	1.5
115.00378	1.4
119.03478	0.6
123.08145	1.1
125.06046	0.5
125.09708	1.3
127.11289	1.1
133.01443	1.4
133.02945	0.4
134.03787	0.4
135.04482	0.8
135.08138	2.0
137.09718	0.9
145.05042	0.4
151.11272	0.7
153.12871	0.5
155.10710	0.7
161.04544	1.4
161.09708	0.9
163.11292	3.0
165.09137	0.5
165.12791	2.1
171.10240	1.1
178.02628	0.6
179.03522	0.8
179.05586	0.4
179.10783	2.3
181.08693	6.7
181.12241	0.5
191.05460	0.5
191.10765	0.9
197.11816	30.7
198.12155	1.8
199.09705	0.9
201.11299	22.3
202.11646	1.1
209.11806	100.0
210.12161	6.6
223.09750	0.5
225.11334	0.7
227.12874	14.9
228.13188	1.1
235.08223	2.6
241.10783	2.2
253.09256	8.3
348.70935	0.5
375.21683	0.4
393.22729	0.9
437.20313	0.8
445.20587	2.8
477.19781	1.1
575.32819	0.7
611.30560	0.7
637.31647	0.6
659.29163	32.9
660.29480	6.7
691.32074	9.5
692.32764	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	689.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68188	1.4
56.62891	1.5
59.01366	5.2
61.98826	100.0
69.66329	1.6
71.01375	2.7
78.95896	2.3
89.02441	1.7
97.23672	1.4
101.02457	3.9
113.02423	1.6
135.99809	1.4
136.96147	1.6
144.56604	1.4
179.05641	1.7
209.11797	3.6
235.08278	2.7
255.23297	12.8
395.76981	1.9
397.13458	28.9
398.13690	2.7
415.14505	7.2
435.54950	2.0
653.37573	4.4
689.35156	25.2
690.35822	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	691.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
60.32303	0.3
68.29697	0.3
71.00326	0.7
71.01368	0.5
83.05010	0.7
94.02978	2.2
95.05002	0.4
98.02446	0.4
108.04540	2.1
120.04527	0.7
122.06110	10.1
124.04016	1.8
132.04517	0.5
133.01425	0.5
134.06116	1.8
135.06900	0.6
136.04041	4.2
136.07674	8.9
137.04805	0.5
137.07993	0.5
138.05597	3.1
148.04042	0.4
150.05595	9.3
152.07147	2.4
158.06102	0.3
159.11725	0.4
162.05589	0.4
172.07576	0.4
174.05785	0.3
174.09244	0.8
176.03494	0.5
177.69685	0.3
181.21211	0.3
183.76427	0.3
186.04381	0.4
186.09245	3.0
187.09749	0.4
187.11295	0.4
190.05078	0.8
201.06529	2.4
202.07071	1.6
202.08755	1.4
202.12329	2.0
212.07455	0.3
212.10823	1.7
213.06668	0.6
214.07437	1.2
215.08185	2.5
216.08813	0.4
227.11954	0.4
228.10326	2.9
229.09795	13.9
230.12015	7.8
231.11870	1.1
239.08148	0.5
240.08948	0.9
243.11385	0.4
244.08401	0.5
245.09245	4.7
245.12993	0.9
246.11404	0.4
255.11374	3.4
257.09317	6.7
258.09921	1.5
259.10806	0.7
273.12415	21.2
274.10251	0.4
274.12772	1.2
275.10437	1.6
290.12885	0.4
299.10373	0.6
317.11377	15.2
318.11636	1.1
334.11728	0.8
335.12448	100.0
336.12802	8.7
355.13144	2.2
356.71045	0.3
599.21210	0.5
631.23822	0.8
644.53143	0.3
659.23834	0.4
691.26477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45374	0.6
51.05590	0.6
59.01375	10.7
60.24749	0.6
61.98808	2.1
65.00315	1.0
68.23474	0.6
69.58795	2.7
69.59202	1.4
71.01389	1.8
71.59817	0.6
83.01366	0.8
87.00836	0.7
98.19945	1.6
104.68609	0.7
107.01366	2.8
108.02188	1.0
109.02956	0.7
115.00324	1.1
121.02930	1.3
131.03770	1.0
132.04533	2.4
133.01404	3.6
133.02951	1.0
145.08585	0.8
148.01620	1.1
151.00366	10.3
157.88953	0.7
159.04460	0.8
163.00317	1.6
178.99850	5.3
179.03448	0.7
226.02608	1.0
227.03441	2.5
243.02968	6.9
244.03477	0.7
245.04495	1.2
254.02115	1.6
255.02956	20.4
256.03317	1.4
271.02457	36.3
272.02924	5.0
283.02567	0.7
284.03278	0.9
299.01816	1.5
300.02722	86.7
301.03409	27.2
302.03711	2.9
307.13907	0.9
336.10809	0.8
341.09058	2.0
342.08975	0.8
539.86713	0.8
625.14014	100.0
626.14441	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	687.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64076	1.9
59.01380	2.9
60.80349	1.6
61.98818	2.3
67.66106	1.9
69.03463	3.8
78.95902	35.3
79.69923	1.8
94.83710	1.9
96.96957	2.8
152.99571	47.3
167.10785	4.3
171.00639	2.5
179.14337	2.7
195.13931	14.4
205.12386	12.8
208.06419	1.8
223.13383	69.6
224.13753	4.3
227.03239	5.7
253.21696	27.7
254.21994	3.3
255.23238	3.5
359.12686	5.6
367.09482	1.9
433.16321	4.2
448.34100	1.8
451.17358	100.0
452.17624	9.6
494.69278	2.0
646.17657	2.2
687.38489	46.5
687.49780	2.9
688.38788	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	687.3951
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
55.54351	0.5
57.03436	1.2
58.00574	0.9
59.01376	44.3
61.98812	1.5
63.92967	0.5
69.03448	0.5
69.71055	0.5
71.01376	24.0
71.52448	0.8
72.99303	1.5
73.02940	11.1
75.00852	0.7
83.01370	3.9
85.02946	6.1
87.00858	1.8
88.45164	0.4
89.02442	15.7
91.90734	0.5
95.01370	2.2
96.96011	0.6
97.02976	0.5
97.23940	0.6
99.04477	0.8
100.17679	0.5
101.01806	0.9
101.02441	16.1
102.25589	0.5
113.01730	0.8
113.02454	13.0
115.00362	7.6
117.07586	0.5
119.03499	6.4
125.02428	1.3
131.03488	1.8
133.01428	12.1
133.02960	0.9
134.01747	1.1
135.01874	1.2
135.04524	5.4
135.08157	1.0
136.04868	1.7
137.09715	0.6
143.03487	3.5
147.04504	0.7
148.00624	0.6
149.04538	2.0
149.06055	5.5
149.09718	0.9
150.06851	35.6
151.07230	1.1
155.03528	0.5
155.10803	0.8
161.04533	5.4
161.09660	0.9
162.06874	0.7
163.03966	0.6
163.07635	7.9
164.08411	6.9
171.10220	0.5
177.09094	0.8
178.09944	2.2
179.03563	3.4
179.05556	5.6
179.10760	16.3
180.11101	0.9
187.02492	0.5
200.61513	0.5
209.11917	0.6
211.07744	0.7
221.06551	0.9
240.24309	0.6
343.24969	1.0
345.22754	4.5
346.22974	0.9
367.13986	0.6
391.11597	0.7
409.12741	1.0
411.13660	2.2
435.10870	1.1
436.11313	0.8
437.11600	2.4
446.30319	1.0
455.12943	1.7
464.31406	5.2
465.31668	1.0
478.32947	1.1
479.33887	7.7
480.34094	1.0
506.32352	1.5
507.33127	2.4
524.33337	2.7
525.34283	26.9
526.34778	4.5
583.31134	6.9
584.31067	1.2
601.32233	10.9
602.32697	1.7
643.33240	3.1
644.34113	0.7
687.39520	100.0
688.39899	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	687.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99335	0.6
55.61786	0.6
57.03466	0.8
59.01374	6.8
61.98823	4.1
64.07168	0.6
69.03460	3.0
70.65930	1.1
70.66309	1.2
71.01375	10.4
71.05015	2.1
72.99300	1.0
73.02952	1.5
80.02670	0.8
80.54506	0.6
81.03455	1.3
82.76933	0.6
83.01354	0.8
83.05014	4.6
85.02924	2.0
86.49272	0.6
87.00865	1.1
89.02443	3.2
95.04997	1.2
96.96008	4.1
97.02872	0.6
97.06560	1.4
99.00870	1.5
101.02438	3.4
109.06561	0.9
113.02423	2.2
115.00362	7.3
116.00699	0.8
117.00850	0.6
119.03490	0.8
119.05014	2.8
123.08131	0.8
125.02454	0.8
125.06130	0.7
125.09723	2.6
132.91991	0.6
133.01414	13.6
133.02910	1.1
134.01730	1.5
134.03729	1.5
135.01883	0.7
135.04515	6.0
136.04826	1.1
149.09683	0.7
151.11275	1.7
153.12840	1.9
160.04022	0.7
161.04539	1.8
161.09685	2.8
163.04070	1.3
163.11296	3.9
165.12820	1.5
171.10269	2.9
171.11717	0.5
175.03899	0.7
178.02679	1.8
179.03496	5.0
179.10776	6.4
180.03796	1.2
181.12318	1.7
191.05606	1.5
191.10791	1.1
197.11807	57.8
198.12169	3.3
199.13353	1.1
207.10295	3.1
209.11806	42.5
210.12184	1.9
211.13286	0.7
223.09724	1.8
225.11298	4.7
227.12793	2.3
231.93657	0.6
234.09642	0.5
235.07970	0.7
237.05528	0.7
241.10799	3.5
253.09291	3.9
268.07294	0.8
312.06262	1.5
313.06754	1.2
314.06870	0.9
358.70499	0.6
393.20889	0.6
409.13181	0.8
410.13663	0.7
411.13531	1.2
457.13458	3.0
477.19897	2.4
647.74390	0.7
651.29987	0.7
669.30951	1.8
687.32233	100.0
688.32587	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	686.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98827	63.4
64.01360	0.5
65.00343	0.5
71.01363	2.7
72.99271	0.5
80.68256	0.5
85.02889	0.4
89.02417	0.5
98.19770	0.7
111.22482	0.5
115.00349	4.8
116.00699	0.9
119.81714	0.5
132.95660	0.5
133.01424	9.3
133.02960	0.6
134.01820	1.2
135.04530	4.8
136.04793	1.4
165.01987	2.4
179.03494	5.0
180.03763	1.2
187.07751	0.6
211.04015	1.1
212.04880	0.7
227.03491	6.0
228.04013	1.6
229.08752	0.8
244.07104	0.6
255.02957	23.8
256.03522	3.5
256.06348	0.7
271.06082	1.9
274.08084	0.6
283.02454	52.2
284.03107	13.2
285.03604	0.8
298.04800	50.9
299.02289	1.3
299.05524	38.6
300.05957	2.6
314.04300	1.3
341.06717	1.0
410.13174	1.9
435.10846	1.2
436.11243	2.8
455.13062	1.4
525.91956	0.6
574.39294	0.5
623.16113	100.0
624.16400	16.8
687.30048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02925	4.6
58.60523	4.6
59.01380	36.6
61.98801	14.7
63.64306	5.3
64.53139	5.2
65.50832	4.9
69.55813	37.5
71.01374	21.5
89.02422	17.7
90.59288	5.6
100.19031	4.8
101.02381	10.3
113.02454	9.5
115.00361	10.1
123.35339	5.9
125.02413	6.3
133.01414	6.2
153.05510	6.5
171.10217	14.3
191.05489	8.8
235.08215	9.6
249.18503	39.7
253.09155	9.8
277.21622	8.9
293.21249	8.3
316.86893	6.0
332.65897	5.4
397.13489	100.0
398.13739	11.0
415.14301	29.3
647.33167	11.8
683.30054	63.1
684.30865	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	685.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16188	0.5
59.01385	0.9
61.98829	0.9
64.60857	0.5
71.01379	24.5
71.24964	0.8
72.99304	4.2
87.00873	0.8
89.02441	2.7
90.01437	0.6
93.03479	0.6
105.03468	0.8
107.05051	0.7
108.02173	1.9
109.02962	3.8
115.00369	51.9
115.76900	0.5
116.00697	1.2
119.05024	1.6
121.02950	1.0
125.02475	0.9
125.69913	0.4
130.04300	0.9
133.01427	100.0
133.02846	5.5
134.01770	1.9
134.03789	2.5
135.04518	46.3
136.04874	2.1
137.02525	0.5
145.02933	0.9
146.03778	2.7
158.03725	2.1
159.04515	4.7
161.02434	2.1
172.05261	1.1
174.03229	2.5
177.01860	3.3
178.02599	1.1
179.03484	33.1
180.03867	1.9
183.08130	1.8
186.06837	0.7
187.07677	1.4
188.04803	0.5
196.05266	0.8
200.04819	1.7
201.09245	3.0
202.02760	0.9
203.03435	1.1
210.06796	0.6
211.07603	3.8
213.09235	3.1
215.07167	0.6
225.05423	0.5
227.07117	1.3
229.08694	7.7
230.08862	0.8
231.10143	0.9
238.06410	0.6
239.07140	1.3
249.05513	1.4
255.06586	5.7
256.06967	0.7
257.08160	6.4
265.05011	1.5
266.05862	1.2
267.06628	6.4
268.07364	3.1
273.07626	14.2
274.08035	2.2
277.03598	1.9
293.04587	1.9
294.05209	1.8
295.04483	3.2
311.05566	4.8
312.06262	2.4
338.04318	1.5
347.12842	0.9
365.13809	2.5
391.11847	7.2
407.11148	0.7
409.12881	33.1
410.13419	4.8
435.10815	30.2
436.11087	5.1
453.11746	5.0
454.11905	0.7
472.83279	0.5
569.13367	1.0
685.26996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67259	0.8
55.76919	0.8
57.03435	2.5
59.01376	26.6
61.86117	0.8
61.98819	3.9
71.01382	8.2
71.52512	0.9
72.99306	1.2
73.02946	4.2
85.02956	2.6
89.02431	1.9
96.96008	2.0
99.00838	1.5
101.02390	1.6
104.60487	1.0
113.02452	1.2
114.93839	0.9
115.00368	5.6
121.03003	1.0
133.01430	8.2
133.02940	1.9
135.04489	3.2
137.09708	1.3
139.11288	39.2
140.11613	2.3
148.05296	6.0
149.06071	2.5
161.06012	0.9
163.07619	7.1
163.11261	1.5
165.09273	2.1
177.01881	1.0
178.02710	2.6
179.03413	1.5
181.12349	18.8
183.10252	41.1
184.10602	2.9
199.13434	7.9
201.78323	1.2
209.11766	1.6
221.11617	1.0
225.11342	12.9
226.11583	1.1
243.12373	37.3
244.12650	2.0
267.06586	1.6
343.31760	0.9
356.77338	1.0
370.74829	1.0
407.86115	1.0
439.15976	1.1
457.17133	2.3
510.56265	1.0
519.18970	1.0
665.28204	4.1
683.29120	100.0
684.29285	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	683.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03444	5.0
58.00607	0.4
59.01381	2.9
61.98825	1.1
69.03439	0.7
69.83656	1.0
71.01374	13.7
72.99300	0.3
73.02935	1.1
81.03425	0.4
83.05016	0.3
85.02951	1.8
87.00851	0.4
87.04505	5.0
90.09047	0.3
93.03469	0.3
95.01372	0.4
95.05029	1.1
97.02950	1.3
97.06590	0.9
99.04538	0.4
99.81554	0.3
101.02451	1.3
107.05009	0.3
109.06579	2.2
111.04468	0.4
111.08156	0.4
113.02449	0.6
115.00362	14.6
121.06549	0.4
123.04527	1.7
123.08170	1.1
125.02454	1.1
125.06142	0.4
133.01431	2.3
133.06529	0.3
135.04538	0.7
135.08179	2.4
137.06055	0.5
137.09706	7.6
138.10078	0.4
139.07645	1.2
139.11305	0.6
147.08127	2.7
149.09679	1.3
151.11270	2.1
153.09142	0.8
155.10765	42.4
156.11076	1.6
161.09697	1.2
162.06818	0.4
163.07631	0.8
163.11287	1.7
164.08380	0.7
165.09219	0.7
167.10767	0.6
169.12329	1.5
171.08162	0.5
172.08923	0.3
175.11229	0.8
177.09189	0.6
177.12814	1.0
179.03429	0.3
179.10760	13.6
180.11092	0.7
181.05157	0.3
181.08669	3.4
181.12277	0.5
187.11241	3.8
188.08379	0.6
189.09200	1.1
190.09921	0.5
191.10742	1.4
193.12308	0.4
195.10242	2.0
195.13889	0.8
199.09731	16.9
199.13477	0.6
200.10098	0.7
203.10814	1.3
205.12306	11.9
206.12628	1.0
209.11861	0.7
213.11299	1.4
223.09785	0.9
223.13344	1.1
225.11241	0.8
227.12782	0.5
237.11253	0.9
241.10805	4.5
253.10828	0.9
255.12360	2.7
283.11819	5.5
343.13974	1.0
457.13840	0.3
523.25452	4.8
524.26105	0.8
549.27008	11.6
550.27173	2.5
567.28027	100.0
568.28363	15.5
683.29138	3.3
684.28363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
57.03442	1.9
59.01376	20.2
61.98828	5.9
63.94116	0.9
69.34219	6.8
71.01369	3.9
71.02515	1.5
72.99298	12.0
73.02931	3.7
85.02942	1.9
87.00890	1.4
89.02446	1.6
92.40295	0.8
93.03462	1.8
95.05009	1.6
96.96002	0.8
97.62035	0.9
101.02388	1.2
104.33755	0.8
106.04214	1.0
107.05051	2.3
113.02422	3.0
113.07195	2.6
115.00385	2.2
119.05019	86.0
120.05351	4.0
120.15610	0.7
127.08779	1.7
128.16209	1.0
133.01418	5.1
134.06116	10.6
135.04530	3.7
135.06488	2.2
139.11270	21.1
145.02948	3.3
146.06114	8.6
147.06505	2.7
153.06685	1.2
163.03998	47.5
163.11188	1.1
164.04289	2.8
165.09177	1.1
177.01906	4.9
179.03424	1.7
180.06625	2.0
181.12340	13.5
183.08673	1.6
183.10231	24.7
184.10612	1.2
185.58376	1.1
191.05727	0.9
191.08331	1.1
192.08379	1.0
199.13425	6.8
219.69250	0.8
224.14043	1.1
225.11267	8.7
243.12358	32.4
244.12515	0.9
266.11847	12.3
267.12170	8.6
272.75458	0.9
307.08212	1.1
374.17014	1.0
377.18893	1.2
378.19125	1.0
421.17432	1.5
422.17737	1.2
439.12436	5.2
457.13312	3.0
519.21021	1.0
623.23486	5.6
639.34003	1.2
665.24542	3.9
682.32349	10.7
683.23767	100.0
683.34497	22.5
684.24799	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	683.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03393	0.2
57.90533	0.2
59.01384	0.6
69.03464	0.2
69.54533	0.2
69.60222	1.3
71.01379	3.9
72.99326	0.2
73.02939	1.2
83.01397	0.4
85.02952	1.7
89.02441	0.4
91.05523	1.7
95.01372	0.3
98.19907	0.3
99.00878	0.5
101.02452	2.1
101.03964	5.1
102.04290	0.2
113.02465	1.9
115.00380	0.9
117.03460	2.9
119.05024	100.0
120.05354	3.4
125.02474	0.2
133.01402	1.2
135.04541	0.3
143.03503	0.2
159.03006	0.5
161.04546	3.6
163.04013	5.9
164.04274	0.2
178.50166	0.2
183.10217	1.1
201.07597	0.2
325.09262	37.5
326.09570	2.6
357.15515	0.7
358.16135	0.2
363.12357	0.3
407.11353	0.4
451.10315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09194	0.7
52.85368	0.6
58.18723	0.5
59.01375	7.3
61.98835	3.2
65.27385	0.5
65.69074	0.6
68.38371	0.5
71.01373	3.4
71.02511	3.1
71.51518	0.9
72.00905	0.9
72.99292	1.0
77.45296	0.5
85.02959	0.8
89.02448	1.1
89.95203	0.5
90.62624	0.5
91.05541	1.0
93.03448	2.3
96.95979	1.0
97.00441	0.5
98.01157	0.6
99.23737	0.5
101.02422	1.1
103.15376	0.6
106.04262	0.8
107.04992	4.1
110.06098	1.5
111.01978	0.8
111.91767	0.5
113.02460	1.0
113.07206	4.9
115.00351	3.6
116.05025	1.8
118.06597	1.0
119.05022	11.6
123.44140	0.7
127.08760	3.7
133.01436	5.5
133.02951	0.6
133.05347	2.5
134.05084	1.1
134.06117	17.0
135.04488	1.6
136.07675	0.6
139.11249	0.6
146.06113	15.7
147.06480	0.7
153.06670	2.4
155.60828	0.6
160.04124	0.6
163.04022	4.3
164.07080	0.8
167.04642	1.1
168.07784	1.3
169.07625	0.6
177.01886	0.9
179.03471	0.8
180.06682	3.9
189.06596	1.7
191.08293	2.8
224.14056	2.3
243.11446	2.0
260.13956	0.8
263.09424	1.6
264.10254	1.5
266.11841	32.2
267.12231	3.5
283.14517	2.2
286.13251	0.8
377.18661	4.4
394.21338	1.2
421.17575	3.2
457.13742	0.6
482.02353	0.6
491.26590	1.5
621.79529	1.5
622.29462	1.5
638.33734	1.6
682.32440	100.0
683.33392	20.8
702.63983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.52869	0.9
59.01384	6.1
61.98827	5.2
71.01388	4.9
75.85452	0.8
85.02963	1.0
89.02422	3.3
97.06589	2.7
97.29697	1.1
101.02435	4.0
101.37340	1.0
113.02407	1.8
119.03462	1.4
133.01405	1.3
151.11275	15.7
152.65189	1.0
161.04526	1.5
169.12331	89.8
170.12679	5.3
171.12204	1.0
184.35014	1.0
188.93909	0.9
195.10233	2.6
213.11320	10.1
235.08145	1.4
249.18588	18.9
250.18840	1.2
253.09261	2.4
277.21658	2.3
321.18869	1.2
406.49866	1.0
431.19138	2.8
449.20233	8.4
506.52594	1.1
605.85529	1.4
620.72626	1.0
681.38483	100.0
682.38989	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	681.421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01696	0.6
61.98834	1.1
71.01371	9.0
71.21308	0.7
72.01639	0.4
72.99317	0.5
73.02951	2.3
73.77286	0.4
76.89442	0.4
83.01386	1.2
85.02924	2.3
87.00909	0.6
89.02442	3.8
95.01395	0.5
98.52138	0.4
99.00815	0.6
101.02432	5.2
113.02470	3.0
115.00349	1.3
119.03477	1.2
133.01436	1.6
133.02939	1.0
134.03795	0.7
135.04509	1.0
136.57741	0.4
138.14247	0.4
143.03488	0.6
161.04570	1.5
164.59036	0.4
177.01930	0.5
178.02577	1.0
179.03409	0.9
179.05659	0.6
277.21851	0.8
299.19974	0.5
375.97137	0.4
432.01114	0.4
445.23956	0.6
459.34537	0.5
513.35669	0.5
561.37903	8.7
562.37897	2.0
565.29822	0.6
579.38910	8.7
580.39514	1.5
605.37482	0.6
621.40009	4.1
622.40430	0.5
681.28577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2395
Annotation	(-)-Pinoresinol 4,4'-di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.45659	0.9
55.01869	2.7
57.03422	1.1
59.01376	11.5
70.52644	2.7
71.01375	22.4
72.99291	1.5
73.02933	12.9
76.42872	1.0
83.01384	5.5
85.02942	6.3
85.66228	0.9
87.00874	1.6
87.02715	0.9
88.53148	1.0
89.02454	5.8
93.03442	1.3
95.01376	1.7
96.96008	5.3
97.02957	1.6
99.00880	40.0
101.02435	26.2
108.02148	2.5
109.02918	2.6
113.02430	8.6
115.00337	4.5
119.04995	1.5
121.02940	1.7
121.11349	1.0
123.00861	2.4
125.02393	2.6
131.03482	2.2
133.01424	7.2
133.02963	2.3
135.04520	2.6
136.01651	71.4
137.02484	9.7
138.03203	1.2
139.03995	1.7
143.03508	3.3
149.02374	2.0
150.03218	1.0
151.00386	12.0
151.03998	88.5
152.01132	2.2
152.04457	3.7
159.04475	2.0
160.05232	2.2
161.02438	1.8
161.04539	5.8
163.04002	4.3
164.02313	1.0
166.02702	44.9
167.03293	3.9
173.06020	1.2
175.04001	3.1
175.07614	2.6
176.04710	1.3
177.01923	3.2
177.05542	1.6
179.03458	3.6
181.05046	60.6
181.08585	2.1
182.05313	2.0
188.04787	1.0
189.05518	2.6
190.06236	1.7
191.03493	4.2
191.05571	10.5
191.07056	1.1
193.04948	1.2
205.04974	3.7
206.05760	4.4
207.06427	1.5
209.11778	3.2
221.08163	8.0
222.08456	1.2
233.08113	2.2
253.09219	1.9
275.09354	1.6
293.08759	6.2
297.07959	1.3
297.17029	0.9
299.09171	1.6
311.09137	1.2
311.53128	1.0
323.09381	1.0
324.09924	1.1
329.10397	2.3
339.08521	3.1
339.12317	1.1
341.13892	1.1
342.10986	3.8
354.11038	4.7
357.09686	17.6
357.13483	13.9
358.10266	2.7
358.14151	1.8
369.13361	36.8
370.13745	4.2
372.12070	18.6
373.12689	5.0
384.08215	1.2
385.08057	2.2
387.14478	97.7
388.14752	11.2
490.18613	1.3
520.19666	3.0
602.73425	1.0
651.22760	10.6
652.24017	1.5
663.22974	16.1
664.23181	3.6
664.34863	1.2
681.23889	100.0
682.24072	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01580	0.8
59.01375	100.0
60.01698	1.0
61.98824	4.7
71.01376	14.7
71.08216	1.1
71.08575	1.8
73.02942	1.9
76.20280	0.8
80.48618	0.9
85.02943	3.6
87.00858	1.1
89.02442	1.1
101.02431	2.2
108.24059	1.0
109.10533	0.8
113.02444	2.5
115.00371	6.1
120.49900	0.8
133.01439	8.1
133.02937	2.5
134.03683	1.0
135.04524	2.4
137.02342	0.9
143.91521	0.9
161.04526	1.6
171.10274	1.4
177.01892	1.7
178.02580	2.1
178.19919	0.9
179.03371	2.6
191.05560	1.6
197.11850	1.4
207.10052	1.2
209.11830	2.3
273.03528	1.1
275.09164	1.0
368.58710	0.9
399.17053	0.9
545.26288	1.0
565.34552	1.0
593.40204	2.8
635.40997	1.7
654.06110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86377	0.2
55.01881	0.3
56.44183	0.2
59.01376	21.9
60.01688	0.2
69.83385	0.9
71.01377	4.2
73.02941	1.7
83.01377	0.6
85.02946	2.0
89.02462	0.4
90.75433	0.2
91.05537	1.4
95.01416	0.3
96.95970	0.5
99.00866	0.5
101.02434	2.8
101.03963	5.5
101.04638	0.3
101.23122	0.2
113.02466	1.9
115.00380	1.0
117.03465	2.9
119.05019	100.0
120.05356	4.0
133.01418	2.4
135.04509	0.8
136.01657	0.3
143.03568	0.4
151.04007	0.8
154.74059	0.2
159.02948	0.5
159.19951	0.2
161.04530	4.0
163.04010	5.7
174.19557	0.2
179.03502	0.3
242.63501	0.3
256.25366	0.2
269.10257	0.9
295.12003	0.3
310.09027	0.2
311.11438	1.2
325.09241	35.0
326.09604	2.7
343.26852	0.2
357.13416	1.0
361.09402	0.3
681.32794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01703	1.0
61.98828	1.3
69.98190	1.5
71.01381	14.6
72.99322	0.5
73.02939	4.3
83.01382	1.7
85.02946	3.0
87.00874	1.4
89.02434	5.3
89.02940	0.4
95.01395	1.1
99.00883	0.9
101.02445	7.7
111.00874	0.7
113.02454	5.1
113.03179	0.5
115.00368	2.0
115.07622	0.6
119.03539	1.7
125.02489	0.8
130.95569	0.3
133.01428	2.0
133.02985	1.5
134.03780	0.7
135.04544	1.1
137.02438	0.7
140.30141	0.3
143.03510	1.3
161.04547	2.0
171.10332	0.7
172.50000	0.4
177.01942	1.3
178.02728	1.0
179.03508	0.6
179.05649	0.6
181.08749	0.4
207.10379	0.4
209.11914	0.6
275.09235	0.6
299.23935	0.8
371.26028	1.4
413.30954	0.5
415.32416	0.5
457.33517	0.7
462.21451	0.4
511.34833	0.8
512.80206	0.5
559.36328	21.9
560.36597	3.9
577.37463	9.4
578.38239	1.4
578.99219	0.4
585.32544	0.4
603.35413	2.2
605.85309	0.4
619.38458	7.5
619.47809	0.5
620.39337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
56.07346	0.3
59.01380	3.8
61.98826	0.8
69.43958	2.2
71.01381	4.3
72.99302	4.1
73.02934	0.8
74.44098	0.3
83.01424	0.7
83.05032	1.2
85.02960	1.1
87.00867	0.5
89.02454	1.2
96.96022	0.8
97.02911	0.5
99.00916	0.6
101.02441	0.8
107.05032	1.1
108.02168	3.0
109.02946	1.3
111.00898	0.8
113.02439	1.4
115.00356	1.8
117.03443	0.5
121.02934	0.6
127.05104	0.5
130.08813	0.5
130.55711	0.3
133.01433	2.9
133.02927	2.7
134.03745	5.7
135.04521	100.0
136.04854	3.9
137.02477	1.3
139.03979	0.4
149.06151	0.5
152.01147	5.1
159.04501	0.7
161.02440	8.6
161.04460	0.6
162.02803	0.5
163.03990	0.5
175.04019	0.7
175.46089	0.3
177.01924	0.7
177.05499	1.7
178.02649	1.4
179.03488	80.8
179.10768	1.5
180.03806	3.9
181.08710	2.7
182.09045	1.1
191.07153	0.4
201.11363	1.1
203.03453	0.4
209.11823	5.7
210.12148	2.9
211.12500	0.8
221.04512	1.1
223.09795	0.4
225.11359	0.4
227.12846	0.7
228.13045	0.4
235.06081	0.6
253.09225	0.6
281.17517	0.4
293.06577	3.6
323.07654	1.7
341.08759	3.9
429.09979	0.4
447.11325	1.8
455.11905	25.2
456.12286	2.8
473.12976	46.3
474.13397	5.2
484.25900	0.4
617.42499	0.4
635.23340	9.8
636.24158	2.0
679.22174	16.6
680.21576	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	679.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46083	0.4
54.50175	0.4
57.03448	0.5
59.01374	6.4
61.98829	2.0
71.01378	4.8
71.51555	0.7
72.99305	3.1
73.02962	0.9
83.05013	0.6
85.02958	1.5
87.00874	1.4
87.37984	0.4
88.48643	0.5
88.98802	1.0
89.02442	1.4
96.96004	0.8
101.02472	1.2
107.05031	1.7
108.02166	0.5
111.00854	0.7
113.02435	2.1
115.00368	2.5
117.03463	0.9
121.02933	0.5
127.18941	0.5
128.96480	0.4
133.01405	3.6
133.02925	2.9
134.03754	5.8
135.04515	100.0
136.04829	3.4
137.02480	0.8
147.04547	0.5
149.06129	1.0
152.01114	0.8
156.11026	0.5
159.04475	0.8
161.02419	9.1
173.06236	0.6
175.04007	0.7
177.01950	1.2
177.05569	1.4
178.02711	1.3
179.03484	77.1
179.10745	1.7
180.03825	3.7
181.05251	0.5
181.08664	1.2
182.08958	0.7
195.10242	0.5
196.34007	0.4
209.11826	2.6
210.12202	1.3
221.04555	1.1
223.09782	0.8
227.12970	0.7
239.09196	0.6
250.40274	0.5
275.09186	0.6
293.06534	2.9
323.07544	1.5
332.07190	0.5
339.03366	0.5
341.08688	3.9
377.11398	0.6
448.18704	0.7
455.11850	20.1
456.12363	2.3
473.12939	41.4
474.13309	4.2
517.31360	1.2
585.23187	0.6
635.23370	9.5
636.23547	1.6
646.66052	0.5
679.22278	21.7
679.34900	1.3
680.22717	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	677.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.82399	0.4
59.01075	0.7
59.01376	13.6
61.98821	1.7
69.28745	1.4
69.29169	1.6
71.01382	6.4
72.99306	0.5
73.02950	1.5
80.02667	1.5
81.03458	2.0
83.01384	1.6
83.05024	10.9
84.02150	0.9
85.02947	1.4
87.00874	0.9
88.98820	0.3
89.02441	3.0
95.01341	0.4
95.05025	0.7
96.95980	0.8
97.02905	0.4
97.06583	0.5
101.02440	3.8
107.04992	0.5
109.06567	1.5
111.00850	0.5
113.02463	2.8
115.00356	2.2
119.03484	0.5
125.02435	0.8
125.06046	0.6
125.09686	0.5
133.01437	1.9
135.04489	1.3
135.08177	2.4
135.14003	0.4
137.09721	1.2
143.03600	0.5
143.07089	0.6
145.04982	0.5
149.06111	0.4
152.07217	0.4
157.36769	0.4
161.04576	1.0
163.07570	0.8
163.11292	3.1
165.12842	1.9
169.12328	0.5
171.10255	1.9
179.03514	0.6
179.05627	0.6
181.08693	39.9
181.12215	1.1
182.09045	2.6
185.06122	0.5
191.05571	0.9
191.10786	1.0
199.09732	5.7
209.11810	100.0
210.12161	6.2
214.53029	0.4
227.12862	14.7
228.13191	0.8
235.08186	2.1
252.17079	0.4
253.09250	9.4
254.09573	0.4
257.04694	0.5
258.05359	0.7
273.87445	0.4
445.20758	2.2
463.21341	0.4
517.16840	0.4
517.27850	0.5
573.32788	5.2
574.33337	1.0
591.33960	3.5
592.34613	0.5
609.29077	1.2
621.03821	0.5
627.30542	0.7
633.35046	1.3
659.29620	0.7
677.28070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72852	0.3
59.01375	100.0
60.01700	1.0
61.98826	4.6
69.59460	1.0
69.59882	1.2
73.81415	0.3
78.36973	0.5
78.95901	0.8
86.07118	0.3
100.84973	0.3
168.46799	0.4
195.85292	0.4
262.60583	0.4
298.97476	0.4
351.98544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65805	0.4
59.01379	13.7
61.98831	3.1
62.05296	0.5
71.01385	6.8
71.52278	0.7
72.99304	0.9
73.02952	1.7
80.02695	1.3
81.03453	2.0
83.01396	1.7
83.05024	13.6
84.02168	1.6
85.02931	1.7
87.00867	1.0
89.02436	2.6
93.18451	0.4
95.05022	1.1
96.82722	0.5
96.95998	1.0
97.06597	0.6
100.37970	0.4
101.02446	3.4
104.33218	0.4
108.02186	0.6
109.06589	1.7
113.02448	2.3
115.00393	2.2
119.03520	0.9
119.08646	0.6
121.02888	0.5
122.06097	1.0
125.02409	1.3
125.06027	0.6
125.09716	0.7
133.01431	2.8
133.02969	0.7
135.04558	0.5
135.08159	3.3
137.09679	1.1
152.01149	0.5
152.07175	2.9
156.52727	0.4
161.04581	1.2
163.07620	0.9
163.11293	3.4
165.12825	1.9
171.10262	1.3
177.01910	1.7
179.03468	0.5
179.05634	1.0
181.08699	45.6
182.09045	2.4
191.05724	0.6
191.10753	1.0
199.09737	5.8
200.10139	0.5
209.11815	100.0
210.12122	5.7
217.13467	0.8
227.12872	15.0
228.13071	0.9
229.14366	1.0
235.08246	1.8
253.09276	10.5
254.09560	0.6
257.04599	0.7
261.12476	1.5
273.65958	0.5
275.09219	1.0
311.93771	0.5
376.16290	0.6
429.10849	0.5
445.20593	1.7
446.21051	0.5
463.22662	0.6
517.30060	2.6
541.24115	0.7
559.25391	0.7
573.32660	2.0
585.24139	0.6
591.33752	1.5
601.26062	1.1
609.28986	0.7
627.30658	1.0
633.34253	0.6
645.25677	1.9
659.29364	0.8
677.28015	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	675.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64310	1.4
56.44767	1.4
61.98808	1.7
62.67319	1.3
74.61009	1.4
78.95898	25.5
96.96999	1.8
152.98387	2.5
152.99583	36.7
171.00618	3.2
183.13867	10.0
184.14275	2.1
192.61446	1.3
197.91986	1.7
203.37109	1.7
211.13383	100.0
212.13759	5.7
227.03284	3.5
253.21680	21.4
254.22090	2.1
281.24841	3.9
347.12555	4.6
406.29550	1.9
412.21002	1.5
421.16119	3.4
439.17307	93.0
440.17798	7.9
506.81686	1.3
675.38593	42.1
676.38641	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	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
56.99790	0.2
57.03440	1.3
58.00586	2.3
59.01375	46.6
60.01712	0.5
60.17738	0.2
61.98827	9.7
64.96531	0.2
68.99796	0.5
69.03450	2.4
71.01376	40.6
71.08249	0.2
71.08590	0.3
72.01729	0.5
72.99300	3.1
73.02941	6.8
75.00876	0.9
78.95907	0.9
81.03451	1.4
83.01383	4.5
83.05026	0.7
85.02943	9.1
86.00094	0.5
87.00871	10.1
87.04503	0.4
89.02438	36.7
90.02776	0.5
91.03989	1.0
93.03467	0.6
95.01373	3.0
95.01935	0.3
95.05047	0.3
97.02944	7.3
98.03300	0.3
99.00871	2.5
99.04523	0.5
101.02435	34.1
102.02794	0.4
103.00379	0.3
103.04031	0.4
109.02948	0.6
111.00879	0.6
111.04506	1.4
112.01640	0.3
113.02441	16.6
114.02765	0.3
115.04010	0.8
119.03492	11.9
121.02934	0.7
123.00858	0.5
123.04529	0.4
124.01671	0.6
125.02437	14.4
126.02840	0.5
127.04006	0.5
127.07629	0.3
129.01941	0.3
131.03519	1.9
133.05069	1.3
137.02406	0.3
139.04015	0.8
141.01912	0.5
143.03485	6.6
145.05005	0.3
149.04530	1.0
152.99579	0.6
157.05038	0.5
159.03058	0.3
161.04541	8.7
167.03474	0.9
169.05026	0.5
171.02928	0.5
179.05598	6.6
185.04504	0.8
188.91133	0.2
199.06120	0.7
203.05626	0.5
209.11702	0.4
216.28247	0.2
217.07158	1.2
221.06628	2.6
233.22746	0.4
235.08202	16.7
236.08598	0.9
245.06638	0.9
253.09265	3.7
259.20535	0.6
263.07599	1.5
275.19998	0.3
277.09509	1.5
277.21686	100.0
278.22028	10.2
287.07703	4.2
288.08109	0.3
295.22592	0.2
305.08713	4.0
306.09012	0.4
323.09827	2.2
361.11340	0.7
379.12418	1.3
380.12704	0.2
397.13446	98.4
398.13806	8.0
398.19186	0.2
415.14523	39.9
416.14789	2.9
675.35565	1.0
676.34937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80773	6.8
59.01374	62.3
61.98825	100.0
71.51108	9.2
73.88301	6.1
78.95890	32.9
80.70103	5.5
83.96030	5.5
85.17274	6.3
85.68573	6.1
137.67256	5.8
149.85141	6.2
152.99548	24.7
153.48781	6.7
171.10049	8.0
211.13446	12.4
212.97343	6.9
222.05467	5.9
277.21658	8.8
290.65280	7.0
436.25052	6.7
515.62939	6.6
675.37152	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	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03443	1.1
58.00590	2.4
59.01375	52.2
60.01705	0.3
61.98826	2.9
67.01894	0.4
67.11227	0.2
67.64639	0.2
68.99821	0.5
69.03454	1.8
69.49819	0.2
71.01377	41.4
72.01717	0.7
72.99304	2.5
73.02941	7.2
75.00895	0.6
79.01891	0.3
81.03458	1.4
83.01378	4.3
83.05032	0.5
85.02945	8.9
86.00091	0.4
87.00871	10.8
88.01176	0.2
89.02438	36.2
90.02789	0.3
91.04002	0.7
93.03461	0.3
95.01384	2.7
97.02943	7.4
97.33442	0.2
97.73420	0.2
99.00869	2.4
99.04508	0.7
101.02435	33.6
102.02779	0.7
103.00352	0.6
103.03986	0.4
109.02934	1.0
111.00874	0.7
111.04518	1.3
113.02441	16.2
114.02840	0.3
115.04007	0.8
118.75918	0.2
119.03490	11.8
120.03823	0.4
121.02946	0.6
123.00882	0.4
123.04527	0.4
124.01662	0.4
125.02440	14.6
126.02764	0.4
127.04012	0.7
129.01962	0.2
131.03487	1.9
132.00911	0.2
133.04160	0.2
133.05046	1.1
137.02399	0.5
137.42285	0.2
139.03984	1.2
141.01953	0.7
143.03490	7.1
149.02452	0.2
149.04488	1.2
152.00880	0.2
161.04543	7.2
162.04907	0.2
163.04086	0.3
167.03476	0.9
169.05077	0.6
171.02998	0.6
179.05594	7.2
185.04532	0.9
199.06134	0.6
203.05588	0.4
217.07158	0.9
219.05070	0.7
221.06609	2.4
229.95215	0.3
233.22791	0.5
235.08200	15.1
236.08514	0.6
245.06657	0.9
253.09250	3.8
259.20581	0.7
263.07623	1.8
275.20087	0.6
277.09720	1.1
277.21689	100.0
278.22021	9.3
287.07693	3.5
288.08127	0.2
291.23251	0.4
305.08701	4.7
323.09741	2.0
361.11469	0.6
379.12494	0.8
397.13458	89.2
398.13788	7.3
415.14529	37.3
416.14868	3.2
416.20178	0.3
490.60910	0.3
675.35419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24847	0.3
57.78560	0.3
58.02969	6.1
59.01373	1.3
69.34303	2.3
70.02977	4.9
71.01379	1.5
72.00912	1.9
72.04541	1.4
74.02469	34.3
85.02929	0.8
87.58878	0.3
95.96024	0.3
96.96030	0.7
98.01833	0.4
98.02470	7.1
98.19948	0.6
98.56770	0.3
100.88914	0.3
115.00351	1.3
116.03546	8.5
116.05050	13.2
120.01236	0.6
128.03531	0.4
130.06610	1.5
130.90034	0.4
133.01428	1.6
133.02975	0.6
135.04498	0.8
135.98419	0.4
142.06598	3.1
157.08708	0.3
159.09279	2.8
162.86520	0.3
177.01932	0.4
179.03484	0.5
183.09291	0.7
186.05539	0.8
201.10321	3.1
203.08246	35.9
204.08562	1.4
228.31877	0.3
245.09283	100.0
246.09601	6.3
250.08875	0.7
283.06265	0.3
289.08298	0.6
289.11447	0.3
289.16470	1.8
307.65161	0.3
358.64499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
55.11089	1.0
57.03439	2.3
58.00588	1.4
59.01375	100.0
69.03449	1.7
70.51710	1.9
70.52048	1.1
71.01377	61.9
71.05017	1.2
72.99295	2.8
73.02943	31.1
80.20956	0.9
83.01389	9.9
85.02946	16.4
87.00871	3.8
89.02441	41.4
95.01382	4.7
99.00844	2.0
101.02437	40.0
113.02444	45.0
114.02776	1.1
115.00343	3.2
119.03498	19.1
125.02420	1.6
131.03488	5.0
133.01442	5.6
135.04514	1.6
137.09685	1.4
143.03491	8.3
145.55006	1.2
148.07634	1.7
149.04510	4.4
152.07111	1.0
157.12303	1.2
161.04555	14.7
163.08110	1.0
172.95753	0.9
173.60422	1.0
175.49170	0.9
179.05608	15.6
179.07056	1.2
191.05670	1.1
207.10226	1.3
209.11761	5.2
211.13434	1.8
217.09685	1.5
227.12947	1.5
252.21979	1.2
253.09265	1.0
277.21237	1.2
289.16541	3.8
409.25964	6.2
410.26285	1.2
571.31024	8.3
589.32245	18.0
590.33173	2.4
631.32867	3.4
643.23755	2.2
675.26953	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58398	0.9
56.00402	0.9
59.01379	15.4
61.98816	4.4
69.19926	9.7
71.01086	0.8
71.01384	10.9
73.02923	2.8
80.05047	3.3
81.03461	2.3
83.01363	1.2
83.05006	1.4
85.02943	2.1
87.00859	1.4
88.98779	1.9
89.02435	2.4
94.02970	2.4
94.06594	1.2
96.96025	5.6
98.02460	2.7
98.19962	2.3
101.02435	3.8
104.05081	1.4
106.06574	3.0
107.03738	3.6
108.04540	2.1
110.02469	6.1
111.04526	9.2
113.02431	2.2
115.00337	4.3
119.03469	1.7
120.04502	1.4
120.08199	6.6
122.06126	24.8
125.02407	3.1
132.04544	2.8
133.01443	6.1
134.06104	2.7
135.04500	1.3
136.04008	2.7
138.05574	1.7
139.02762	1.6
143.03470	1.0
147.05624	1.7
148.04059	1.4
150.05611	9.3
152.03571	5.4
152.07162	37.7
154.05074	2.1
158.02411	1.1
160.03999	3.2
161.04698	2.8
162.05598	3.6
168.06665	2.4
171.10295	1.1
174.05644	4.6
179.03481	1.2
190.05040	3.8
191.05568	1.5
201.10263	6.0
209.11852	8.1
210.12158	2.9
213.10295	3.0
214.12508	1.0
225.10580	1.6
227.11726	5.3
228.13008	1.1
229.09831	8.5
229.13281	4.8
237.10362	2.5
239.11786	3.4
241.09709	2.8
245.12897	2.4
250.91232	1.0
251.08022	1.3
253.09511	2.4
255.11349	10.3
257.12823	2.9
265.09692	2.2
266.10385	1.4
267.11298	2.8
273.12439	2.5
279.11292	2.2
281.12875	3.7
283.10834	2.8
285.12469	1.8
287.10535	1.4
293.09283	1.1
295.10834	2.1
299.09991	1.1
301.11945	14.7
302.12286	1.9
313.11783	3.3
315.10260	1.1
317.11685	1.3
319.12936	13.7
320.13641	1.2
323.10120	2.2
325.11966	6.9
326.12466	1.8
330.12582	1.9
338.13705	1.1
341.11493	1.2
343.13455	1.3
344.13806	1.2
355.13043	5.6
358.11899	2.9
359.12433	1.3
372.13443	2.7
373.14236	2.3
374.14999	7.1
386.11261	2.3
388.16589	8.5
392.15930	2.7
398.15121	1.1
400.12848	3.2
405.67303	1.1
416.16150	14.3
417.16440	2.1
418.13684	1.1
434.17010	3.0
447.21643	1.5
471.31012	2.6
531.25983	1.3
539.22906	3.0
550.18665	1.0
555.25873	3.0
557.23883	8.5
558.24329	2.0
559.25574	1.5
571.31421	1.9
581.24084	8.1
582.24377	1.8
589.31793	1.6
599.25024	21.9
600.25269	4.1
601.22766	1.7
602.23572	1.5
625.22845	5.7
631.27686	2.2
643.23999	44.4
644.24298	9.2
657.25665	4.0
675.26569	100.0
676.26910	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	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
61.98818	3.6
71.01384	11.0
72.99280	1.1
73.02934	3.2
78.95869	1.4
79.95747	0.9
80.05053	4.2
82.31786	0.8
83.01364	2.3
83.05001	1.1
85.02959	1.7
87.00884	0.9
88.98801	1.6
89.02431	2.9
94.02964	3.1
94.06616	1.0
96.95996	3.9
98.02471	3.1
98.19886	2.9
101.02444	5.4
106.06593	3.3
107.03767	3.7
108.04526	1.9
110.02475	7.1
111.04509	9.3
113.02412	3.8
115.00368	4.9
119.03530	2.0
120.04530	1.2
120.08176	7.7
122.06120	26.8
124.04128	1.4
125.02475	2.2
126.29497	0.9
132.04562	1.8
133.01434	6.6
134.06111	4.7
135.04486	1.1
136.04022	3.6
138.05638	1.7
139.02798	1.2
145.01479	1.7
147.05672	0.9
148.04028	2.0
150.05597	9.9
152.03563	7.1
152.07159	35.3
153.04356	1.1
153.07408	1.2
154.05089	2.4
160.03973	1.8
161.04698	2.4
162.05530	2.2
168.06670	2.2
174.05591	3.4
177.02003	1.1
177.17949	0.9
179.05571	1.5
183.13879	1.2
190.05101	2.5
191.05487	1.1
201.10294	8.5
209.11827	8.0
210.12096	2.8
213.10242	3.4
224.09435	1.8
225.10222	1.5
226.11110	1.2
227.11749	5.0
229.09810	7.4
229.13147	4.7
237.10350	3.2
239.11856	4.8
241.09737	1.9
244.37086	0.9
245.12891	2.7
247.06203	1.0
250.07375	1.0
251.11900	1.5
253.09517	2.6
255.11368	10.7
256.11536	1.2
257.12924	4.4
265.09799	4.1
267.11349	2.3
272.42627	1.1
273.12466	3.5
277.09857	1.6
279.07806	1.2
279.11322	2.6
281.12875	2.9
283.10870	1.3
285.12448	1.5
287.10287	1.7
293.09277	1.1
293.12686	1.2
295.10782	3.9
297.12192	1.3
301.11887	16.1
302.12134	2.0
313.11816	3.0
315.18259	1.9
316.10568	1.1
319.12979	15.2
320.13266	1.1
323.10370	1.8
325.11908	7.2
344.13934	1.3
355.13010	5.2
356.13657	1.4
357.11078	1.1
358.11731	2.0
358.15570	1.6
359.12677	1.9
372.13354	2.6
372.17502	1.2
373.14059	2.6
374.15103	6.4
386.11206	2.2
388.16730	7.2
389.17383	1.1
390.18106	1.1
392.16046	2.6
393.37756	0.9
400.13104	5.1
415.15256	1.0
416.16196	15.1
417.16254	1.8
434.17188	1.7
471.30768	2.1
513.24445	1.2
531.25586	1.2
537.24640	1.3
539.23041	4.0
555.26367	2.2
557.23883	8.9
558.24078	1.2
559.25336	2.2
571.31323	2.0
575.25006	1.1
581.24225	10.3
582.24133	1.2
589.31946	2.0
599.25018	24.7
600.25208	3.9
601.22729	1.9
602.23413	3.7
625.23212	6.2
631.27728	1.9
643.24036	47.3
644.24255	7.8
657.25848	3.2
675.26587	100.0
676.26776	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.9
61.98803	3.5
69.33990	9.5
71.01381	13.6
72.99268	1.4
73.02940	4.3
76.38390	1.1
80.05055	4.2
80.48278	1.0
81.03451	1.4
83.01383	1.7
83.05014	2.6
85.02930	2.0
89.02436	4.0
93.03439	1.6
94.02972	3.8
94.06633	2.2
95.01375	1.3
95.05019	1.3
96.95984	2.2
98.02467	4.2
98.20689	2.1
101.02424	4.6
104.05049	2.8
105.10488	1.1
106.06613	3.2
107.03751	4.8
108.04499	2.1
109.02901	1.4
110.02483	9.7
111.04526	14.6
113.02443	5.2
115.00386	5.6
119.03520	1.9
120.04541	1.4
120.08176	10.7
122.06122	33.6
124.04030	1.4
129.84175	1.1
132.04507	1.3
133.01408	4.7
134.06096	5.8
136.04021	4.6
137.04793	1.5
138.05595	2.7
143.03450	1.3
147.05595	3.0
148.04044	1.7
150.05618	10.8
151.05908	1.3
152.03535	7.6
152.07173	42.5
153.04210	1.4
153.07443	1.4
154.05090	2.5
158.02457	1.6
160.03951	2.2
161.04684	4.4
162.05540	3.3
168.06644	1.8
174.05585	4.8
179.05627	1.9
179.07103	2.5
181.08640	2.0
190.05104	4.0
191.05537	2.0
193.14227	1.0
197.08255	1.7
201.10327	8.8
209.11824	25.0
210.12126	9.8
211.12338	3.6
213.10341	3.2
215.11671	1.3
221.42567	1.4
223.08791	2.7
224.09454	2.1
225.11197	1.8
227.11728	7.6
228.13080	1.2
229.09846	11.4
229.13255	5.6
237.10228	3.6
239.11833	4.7
245.12917	3.2
251.08177	2.9
253.09464	3.6
255.11407	11.5
257.12909	3.7
265.09717	5.2
267.11221	2.3
273.12448	3.3
278.10587	1.8
279.11334	3.0
281.12830	3.3
283.10797	2.5
287.10406	1.5
291.11203	1.4
293.12796	1.7
295.10846	4.1
297.12408	1.8
301.11893	24.6
302.12225	2.0
309.12411	1.1
313.11841	4.0
319.12952	22.2
320.13535	1.3
323.10223	3.1
325.11792	10.0
326.12299	2.7
330.12366	1.5
341.11554	1.3
344.14056	1.3
355.09161	1.3
355.13065	9.6
356.13824	2.0
372.13464	3.6
373.14297	2.6
374.15024	5.9
375.15332	1.2
386.11331	3.0
388.16644	8.5
392.16022	3.9
400.13004	4.6
414.13998	1.3
415.15475	1.6
416.16107	17.5
417.16153	2.6
428.16187	2.4
434.17120	3.6
444.19272	1.5
458.47461	1.2
490.19205	1.3
523.89142	1.3
539.22888	2.5
540.22925	1.3
555.25305	1.4
557.23932	10.3
558.24103	1.5
571.31494	3.1
581.23840	12.1
582.24152	2.8
589.32324	3.1
599.25000	27.5
600.25519	6.8
601.22498	2.5
613.27148	1.3
625.22919	7.2
631.27399	2.1
643.23987	55.6
644.24176	14.9
657.25153	3.3
675.26624	100.0
676.26990	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71740	1.0
53.08896	1.1
58.19124	1.2
59.01120	0.9
59.01377	10.8
59.27902	1.1
61.98822	5.2
69.23495	10.4
71.01359	3.8
75.00863	8.3
80.05062	7.3
83.05053	1.3
94.02969	3.3
94.06624	2.1
101.02393	1.4
104.05045	3.8
106.06603	2.8
107.03764	5.0
108.04537	2.7
115.00369	2.5
120.04494	1.3
120.08159	1.8
121.05287	1.5
122.06120	27.8
124.04007	2.6
132.04498	1.9
133.01414	3.3
134.06123	6.7
136.04022	5.6
137.04770	1.2
138.05591	5.9
147.05618	3.3
148.04005	2.4
150.05621	12.9
152.07182	38.5
155.13107	1.0
161.03522	1.9
161.04749	1.2
168.06673	1.5
174.05550	4.1
175.05109	2.4
190.05077	2.2
191.05522	1.2
201.10307	13.8
209.11815	1.6
211.08717	1.9
213.10313	8.7
223.08830	2.2
225.10158	1.7
227.11879	7.3
228.12729	1.4
229.09818	18.7
229.13377	7.6
237.10268	2.0
239.11887	7.7
241.09825	3.3
245.12895	12.7
247.10841	2.2
255.11310	7.1
257.12958	5.8
258.13345	1.5
265.09692	2.2
267.11411	3.5
273.12415	6.5
289.11945	4.6
295.10754	3.9
297.12213	1.4
301.11887	20.1
309.12509	2.3
309.20380	1.3
313.11926	3.9
319.12958	76.9
320.13284	7.0
323.10416	7.3
325.11743	2.3
327.13492	4.3
332.14096	2.0
344.13950	1.5
355.12961	6.2
359.12701	2.1
360.13370	1.3
372.13284	1.5
373.14435	1.5
374.15063	9.1
375.15552	2.3
391.15225	4.0
392.16013	13.7
393.16312	1.4
403.15057	2.3
404.16086	1.5
416.15976	4.2
418.14047	2.2
428.16284	1.8
434.17050	4.4
435.17139	1.5
446.17007	2.3
455.75104	1.1
539.22620	3.9
557.23889	16.5
558.24377	3.8
581.24146	5.7
599.25061	68.8
600.25336	15.0
601.23175	1.4
602.23706	2.0
643.23981	100.0
644.24438	20.6
675.26715	44.8
675.38385	2.6
676.26941	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	673.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
56.44098	0.6
56.64964	0.6
57.03435	2.0
57.55831	0.6
58.00571	0.9
59.01375	18.2
61.98833	1.0
69.03455	1.2
69.25181	3.1
69.25600	2.3
71.01381	22.6
72.99306	2.5
73.02940	6.5
75.00854	2.7
78.91477	0.7
80.02667	0.8
83.01381	4.3
83.98060	0.6
85.02946	11.6
86.00106	1.3
87.00867	2.2
89.02442	5.2
95.01374	2.0
96.96030	0.8
97.02951	1.8
98.19798	0.7
99.00868	3.1
101.02435	20.3
105.03468	0.8
108.02168	1.9
109.02962	2.4
111.00929	0.7
113.02444	7.6
115.00373	4.6
119.03503	1.6
119.04999	0.8
121.02942	0.9
124.01654	6.1
125.02437	1.3
129.01920	0.6
133.01398	4.4
133.02951	4.3
133.05298	1.8
135.04532	4.8
136.01639	7.6
137.02428	1.3
143.03496	0.9
149.02585	0.6
150.03197	0.7
151.03999	7.9
152.01134	2.5
152.04202	0.6
153.01912	1.5
160.04016	1.8
161.02438	2.4
161.04576	2.8
175.03967	0.7
177.01953	3.4
179.03474	2.4
185.34607	0.6
191.05603	0.8
209.11916	0.7
227.05605	5.8
305.21194	21.2
306.21539	2.5
310.10852	2.5
315.07422	1.1
324.12341	1.0
368.11279	1.1
374.03418	0.6
409.14023	1.1
427.16022	0.9
467.26361	8.2
468.26465	0.9
485.17203	2.4
503.18280	1.1
510.58127	0.6
611.30609	4.0
612.30444	0.8
614.28107	0.7
629.22736	1.2
629.31805	4.5
630.32611	1.1
655.20038	1.0
655.29785	9.9
656.29932	1.4
673.30847	100.0
674.31268	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
58.00572	0.1
59.01376	3.4
61.98830	1.5
64.35619	0.1
69.03444	0.1
69.59585	0.1
70.76933	0.3
70.77279	0.1
71.01007	0.2
71.01379	2.3
71.05003	0.1
72.99297	0.1
73.02946	0.4
80.02672	1.0
81.03455	1.2
83.01373	0.3
83.05024	4.3
84.02163	0.8
85.02947	0.6
87.00858	0.3
89.02428	1.2
93.03455	0.5
95.01382	0.1
95.05004	0.6
96.89634	0.1
97.06594	0.3
101.02445	1.7
109.06576	0.3
111.08168	0.1
113.02452	1.1
115.00360	0.6
119.03503	0.3
123.08162	0.2
125.02420	0.2
125.06060	0.5
125.09708	0.3
133.01425	0.8
133.56587	0.1
135.08141	0.5
143.03510	0.1
145.04999	0.1
147.11812	0.2
158.74467	0.1
161.04576	0.8
163.11290	3.2
164.11581	0.3
165.12830	2.0
171.10257	1.8
179.03416	0.2
179.05615	0.2
181.12306	0.5
191.10809	1.0
199.13416	0.2
209.11812	100.0
210.12149	6.2
211.13390	0.2
221.11795	0.3
227.12881	13.4
228.13220	1.0
232.52063	0.1
235.08243	1.7
239.12823	0.1
247.13411	0.9
253.09261	5.2
254.09679	0.3
265.14407	0.3
312.45776	0.1
331.11575	0.1
375.21628	0.1
401.23322	0.2
419.24353	0.3
445.20844	1.2
446.21176	0.2
463.21616	0.2
619.31079	0.1
637.32111	0.7
638.32251	0.2
655.33496	0.4
673.34253	0.2
697.68842	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	672.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19839	0.2
61.98825	100.0
63.51226	0.2
72.61413	0.3
78.81250	0.2
78.95887	0.4
98.19851	0.6
105.43327	0.3
117.65455	0.2
201.11334	0.3
209.11920	0.5
223.95984	0.2
311.22256	0.5
435.18875	0.3
598.34814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90874	0.5
57.03445	0.7
59.01374	6.0
61.98817	1.2
65.94287	0.5
69.03468	0.6
70.37109	1.5
70.37463	0.7
71.01387	4.3
72.99303	1.1
73.02933	1.4
78.88148	0.6
80.05052	3.3
85.02962	2.4
89.02428	0.7
95.05003	0.8
97.02932	0.7
99.00893	0.6
101.02380	1.2
105.03455	2.9
106.06629	1.0
108.02168	51.1
109.02993	8.9
111.54589	0.5
113.02454	1.2
115.00385	2.6
121.02956	1.6
122.06128	1.0
123.04556	1.1
125.02345	0.5
128.03506	0.6
132.04594	1.7
133.01443	4.0
133.02951	13.8
134.03712	0.9
134.06062	0.6
135.04530	2.6
135.52011	0.6
136.07750	0.6
137.02454	0.9
137.09700	0.7
139.11285	8.3
147.04488	0.7
148.07652	1.0
151.03951	1.2
152.01147	95.8
152.07179	1.1
153.01900	5.2
156.73512	0.6
159.03139	0.7
161.02408	0.7
161.04530	0.7
163.04028	3.5
165.05609	0.7
175.03958	1.2
177.01933	13.3
178.02631	0.8
179.03502	3.2
181.12289	3.7
183.10266	7.1
184.10486	0.7
191.05611	0.7
199.13370	1.1
225.11200	1.9
239.11952	0.7
243.12469	4.5
250.11732	0.6
255.11369	0.6
273.12497	1.3
292.10477	0.6
315.07184	1.9
429.10379	9.4
430.10709	1.5
447.11029	1.5
452.18597	2.7
477.13571	0.7
585.23499	2.6
586.24005	0.6
611.22656	0.7
613.21112	1.1
629.22968	10.3
630.23035	1.9
647.77344	0.6
655.22870	1.3
673.23407	100.0
674.23700	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	672.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94908	0.8
59.01365	3.4
61.98829	24.1
71.50841	1.6
93.03450	0.9
100.90314	0.8
103.36471	0.8
107.01358	1.2
109.02950	0.9
114.19509	0.8
115.00375	3.6
129.37444	0.9
133.01418	4.7
135.04475	1.3
151.00366	2.9
163.34888	0.9
179.03453	1.8
191.05789	0.9
204.17825	0.8
227.03485	22.9
228.03821	1.3
229.05066	4.2
239.03244	1.3
241.05087	1.3
255.00256	1.1
255.02979	40.1
256.03427	4.8
257.04501	3.4
284.03235	69.3
285.03976	36.1
286.04330	2.3
327.05167	1.2
331.57498	0.8
609.14539	100.0
610.14960	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	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98827	15.3
63.99256	0.5
65.00343	0.6
70.01018	0.6
70.01402	0.8
71.01373	2.0
72.99295	0.7
85.02959	0.5
89.02409	0.4
93.03423	0.5
97.02943	0.4
98.19962	0.4
101.02435	0.5
109.02956	0.4
111.50782	0.3
115.00382	1.2
119.04964	0.4
120.92082	0.3
121.02975	2.2
124.01627	0.4
125.02451	0.4
128.03488	0.6
133.01424	2.0
135.04515	0.9
143.04616	0.7
149.99570	0.7
151.00354	0.7
163.03949	0.4
165.01907	6.4
168.00568	0.8
171.04468	0.4
173.42537	0.4
179.03397	0.7
191.05630	0.6
193.01329	1.8
199.04007	1.1
209.11771	1.6
212.50334	0.3
215.03548	0.9
227.03571	1.6
243.03009	2.7
254.01971	0.5
255.02869	0.7
255.89186	0.5
269.04510	1.1
270.01804	0.4
271.02454	34.6
272.02737	2.2
284.30267	0.3
285.03873	1.8
286.04846	0.7
287.05728	0.6
299.01938	69.9
300.02322	6.2
313.03497	0.9
314.04294	83.2
315.04898	15.1
316.05423	0.5
356.08151	0.4
440.14832	0.5
489.10599	0.4
606.28235	0.5
609.14545	100.0
610.14838	14.8
672.28912	0.4
700.62952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3854
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
55.25163	0.2
57.03446	1.1
58.93076	0.2
59.01383	3.3
61.98836	0.9
64.68058	0.3
66.67978	0.3
71.01379	2.1
71.87297	0.3
75.00887	0.3
85.02949	1.0
87.00864	0.6
89.02451	0.4
91.41015	0.3
96.96032	0.5
98.20702	0.4
99.04523	0.3
101.02403	0.4
111.08152	0.6
113.02451	0.4
113.06136	0.6
114.70236	0.3
115.00386	0.9
133.01448	0.8
135.04480	0.6
135.08151	0.7
136.05296	0.8
137.06093	0.8
149.06076	6.1
150.06859	43.3
151.07239	2.0
153.09242	0.5
155.10767	0.6
157.08702	1.1
158.55199	0.3
161.09703	0.7
162.06857	1.0
163.06310	0.5
163.07654	9.9
163.09013	0.6
164.08430	5.9
165.08861	0.4
169.12338	0.6
171.10281	0.6
176.08421	1.9
177.09102	0.8
178.09991	3.2
179.03490	0.4
179.10780	13.1
180.11136	0.7
209.11876	0.5
225.11525	0.4
228.99532	0.3
245.47902	0.3
263.20096	0.5
279.23349	0.9
281.21158	1.0
283.19052	0.5
325.23792	0.7
327.21753	5.0
426.71460	0.3
428.29156	1.3
443.31378	0.6
444.32532	0.5
445.33206	0.5
446.30310	8.3
447.30826	1.1
460.31921	1.3
461.32712	10.1
462.32874	1.4
470.30942	0.3
470.53226	0.3
488.31268	1.7
489.32239	2.1
506.32346	2.9
507.33215	29.3
508.33463	3.6
549.33752	0.4
632.30566	0.3
669.38501	100.0
670.38831	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	671.4009
Annotation	Guineamide D
Peak:m/z	Relative Intensity
56.01960	0.2
57.03444	1.0
58.35644	0.3
59.01377	2.6
61.98824	0.8
69.03442	0.3
71.01382	1.5
73.02945	0.4
76.14978	0.3
85.02958	1.1
85.07561	0.3
87.00864	0.4
89.02435	0.6
96.96016	0.3
98.31779	0.3
99.04494	0.3
99.36884	0.3
101.02427	0.6
111.04510	0.3
113.02471	0.5
113.06142	0.7
115.00372	1.1
127.11246	0.6
133.01407	1.8
135.04497	0.5
135.08107	0.6
136.05330	0.4
137.06078	0.4
137.09727	0.5
149.06084	4.7
150.06854	40.1
151.07184	2.1
155.10730	0.5
161.09711	0.7
162.06851	0.4
163.07646	9.0
164.08423	5.8
169.12273	0.3
171.10220	0.5
176.08417	1.9
177.09178	0.9
178.09969	3.5
179.09175	0.6
179.10753	11.7
180.11113	0.6
189.09143	0.3
191.05594	0.4
192.16573	0.3
193.08601	0.3
207.10245	0.7
209.11844	1.3
210.42169	0.3
225.11327	0.8
225.22769	0.3
245.47656	0.3
265.21698	0.7
268.69193	0.3
283.22708	0.4
327.25464	0.8
329.23273	5.0
345.99268	0.3
348.23148	0.3
411.29437	0.3
422.43686	0.4
430.30905	0.9
445.33203	1.2
446.34052	0.5
447.34979	0.4
448.31903	7.3
449.32190	1.0
462.33582	1.3
463.34238	10.8
464.34552	1.6
490.32907	2.4
491.33713	3.0
492.34570	0.5
493.35464	0.4
508.34171	3.5
509.34781	28.1
510.35138	4.8
671.40076	100.0
672.40436	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	665.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
65.87737	0.3
66.72672	0.3
70.26443	1.0
71.01376	13.8
72.99329	0.5
87.00945	0.3
93.03436	0.4
95.72223	0.3
96.96015	0.7
111.62968	0.3
115.00368	9.6
117.43082	0.3
119.05023	42.9
120.05370	1.3
133.01430	16.7
135.04535	0.9
137.02446	0.4
163.04001	100.0
164.04333	5.2
189.07689	0.4
191.05566	0.4
224.54829	0.4
269.80313	0.3
279.05072	6.4
497.91110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
71.01376	12.0
71.42233	0.2
72.26117	0.2
89.02427	0.3
93.03478	0.4
96.95994	0.6
104.22334	0.2
113.02383	0.2
114.99693	0.1
115.00360	9.0
119.05019	42.9
120.05365	1.6
121.02917	0.2
133.01421	15.0
134.01723	0.3
135.04549	0.4
137.02519	0.2
159.04463	0.2
163.03995	100.0
164.04320	3.6
177.01901	0.2
179.03517	0.2
189.07724	0.4
191.05569	0.4
279.05081	6.7
280.05383	0.5
343.08841	0.2
473.82611	0.2
496.14938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43821	1.0
55.01872	2.0
57.03443	1.3
58.00595	2.2
59.01377	100.0
66.58548	1.2
68.04057	1.3
69.03448	1.4
71.01378	57.6
72.99303	3.5
73.02942	25.1
83.01369	7.9
85.02946	20.3
87.00876	3.9
89.02441	47.6
95.01382	6.3
97.02974	1.9
98.20680	2.4
99.00887	2.1
101.02439	37.2
102.02019	1.0
102.02724	1.3
113.02446	38.1
115.00351	1.8
119.03499	19.8
119.05005	3.9
124.01615	1.8
125.02451	2.9
131.03488	3.7
133.01358	3.1
135.04514	2.2
143.03496	9.1
145.34039	1.2
149.04506	2.9
160.04025	5.0
161.04565	10.6
163.04028	2.5
179.03487	1.1
179.03796	1.3
179.05585	16.6
202.83099	1.3
209.11859	2.8
275.24673	1.1
351.82657	1.1
397.22192	4.6
408.27991	1.5
415.23199	2.7
431.16833	1.9
439.12057	1.3
440.33807	1.1
457.13278	1.3
548.17365	1.5
559.27545	48.0
560.27808	6.3
577.28577	49.3
578.28961	8.6
619.29773	11.0
620.30048	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.6
60.18940	0.4
61.98809	0.4
71.01379	13.9
71.22353	0.7
71.22699	0.8
72.99293	0.8
73.02946	0.5
77.03963	0.7
85.02912	0.5
89.02449	3.0
89.03971	0.6
93.03457	0.9
95.05025	2.1
96.96000	1.2
101.02421	2.0
105.03459	6.2
106.04186	0.7
111.00870	0.6
113.02425	1.3
115.00372	9.0
119.03478	1.4
121.02945	2.0
123.04535	0.8
130.13779	0.4
132.02135	0.6
133.01518	3.3
133.02950	49.1
134.03755	14.9
135.04521	13.2
137.02446	10.3
139.04019	3.1
143.03503	0.6
144.82159	0.5
149.02480	0.7
150.03162	1.1
159.04506	1.9
161.02414	3.4
161.04529	0.9
175.03990	0.9
176.04778	2.5
177.01921	33.8
178.02701	27.0
179.03445	10.7
179.05551	2.1
191.05545	0.7
191.07152	1.8
193.05046	12.4
194.05428	0.9
203.03455	1.0
209.11790	0.7
210.12129	0.6
253.08920	0.5
295.06155	0.6
308.01898	0.4
337.06836	0.5
339.05292	0.6
369.09750	100.0
370.10065	8.7
505.25229	0.4
549.16394	4.1
657.14148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01379	3.5
61.98825	1.3
69.03465	0.6
71.01379	8.9
72.99310	15.3
73.02930	0.6
74.93700	0.3
85.02949	1.0
87.00880	0.7
89.02435	1.3
93.03458	0.6
94.81934	0.4
96.96025	0.9
99.00877	1.3
99.04518	0.4
101.02436	1.7
113.02456	2.6
115.00388	2.9
117.03477	1.1
119.05022	100.0
120.05354	3.2
121.02915	0.9
133.01411	4.3
133.02954	1.1
133.06670	0.5
135.04491	1.7
145.02966	3.4
159.04530	0.4
161.06049	0.5
162.03200	1.0
163.04004	60.9
164.04350	2.6
174.63979	0.3
177.01932	1.0
178.02657	0.5
179.03442	2.2
179.10829	2.3
191.05531	0.5
201.11330	0.6
205.05038	0.9
209.11797	1.4
213.02980	1.1
223.09781	0.9
227.12939	0.4
262.06567	1.7
262.56781	0.8
265.17224	0.4
267.06555	0.5
277.07175	1.0
277.86713	0.4
307.08218	1.0
311.05774	0.4
312.06009	0.5
325.09348	0.7
337.09399	0.4
409.12830	1.6
410.13522	0.4
439.12460	10.4
440.12708	1.4
457.13483	54.7
458.13815	5.6
540.84418	0.4
547.17810	0.8
619.23859	6.7
620.23877	1.2
663.22839	9.3
663.33478	0.9
664.23010	1.9
664.32788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01376	3.1
61.98823	1.5
62.15544	0.3
62.23606	0.3
65.73730	0.3
69.03451	0.5
70.74714	0.4
70.75059	0.6
71.01373	4.5
72.99303	16.5
73.02953	0.9
73.99695	0.3
75.00841	0.3
75.07245	0.3
76.59953	0.3
85.02948	1.3
87.00892	0.6
89.02454	1.1
93.03458	0.8
95.01407	0.5
96.96012	1.0
99.00874	1.3
101.02448	1.0
113.02458	2.7
115.00352	2.7
117.03462	1.2
119.05020	100.0
120.05349	4.0
121.02950	0.8
123.04496	0.3
131.03531	0.3
132.05730	0.3
133.01430	2.4
133.02928	0.6
133.06543	0.4
134.03720	0.4
135.04536	0.9
135.11778	0.5
137.02423	0.5
145.02922	3.4
161.04613	0.3
161.06068	0.5
162.03200	0.6
163.03998	61.0
164.04356	2.6
177.01967	0.4
179.03505	1.4
179.10735	1.7
191.05603	0.8
197.22331	0.3
201.11295	0.5
205.05066	0.9
209.11806	1.1
219.06616	0.6
223.09703	0.8
249.20874	0.3
262.06650	0.3
267.06467	0.4
277.07162	1.6
283.02499	0.7
307.08109	0.8
325.09326	1.3
381.08313	0.4
409.12424	0.4
439.12402	10.3
440.12817	1.3
457.13470	55.0
458.13821	5.4
603.32904	0.3
619.23956	6.7
619.32477	0.2
620.24194	1.3
631.29895	0.5
645.30627	0.3
663.22949	8.5
663.34521	0.9
664.22693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36074	0.6
59.01368	0.6
71.50636	1.0
94.89872	0.5
95.05012	1.0
96.96983	0.8
99.08153	0.9
101.26573	0.5
109.02940	0.8
113.06075	4.5
115.00339	0.9
125.06060	2.4
133.01445	1.4
135.04498	2.3
139.04008	7.6
143.07129	44.8
144.07466	1.7
149.06055	0.8
161.06038	1.0
162.43495	0.5
169.05049	56.0
170.05417	2.1
179.03511	1.0
187.06097	100.0
188.06435	3.8
188.07919	0.5
189.05548	15.7
190.05884	0.6
191.05608	1.0
207.06586	1.7
249.07465	0.6
283.59567	0.6
288.96796	0.7
311.07642	1.0
315.55798	0.6
351.10876	2.0
395.09637	1.2
413.10709	0.9
473.13007	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	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.03435	2.7
58.00598	2.4
59.01374	65.5
61.98833	4.3
69.03466	2.0
70.25695	4.9
71.01376	81.7
72.01688	2.0
72.99307	6.1
73.02946	18.9
75.00881	2.9
81.03481	1.5
83.01366	6.8
83.05038	2.0
85.02945	22.8
86.00111	1.6
87.00864	11.7
88.51189	1.3
89.02441	55.4
95.01394	4.1
96.96017	7.8
97.02894	2.0
99.00867	7.4
99.04504	1.8
101.02438	62.5
105.44783	1.3
113.02445	32.5
113.89484	1.4
115.00381	9.4
119.03490	24.6
125.02489	3.7
125.32568	1.4
129.01923	2.0
131.03513	6.1
133.01424	13.5
133.03000	3.3
135.04488	4.1
135.08247	1.6
138.08501	1.4
143.03503	9.3
143.07164	2.1
149.04541	1.9
153.01938	1.3
159.02972	3.2
161.04533	24.5
161.05766	2.6
163.03943	1.6
171.10291	4.5
171.42712	1.6
179.05598	78.6
181.08667	4.1
191.05574	6.1
197.11833	3.7
199.13403	1.9
200.24104	1.4
201.11443	1.3
207.10318	3.6
209.11812	11.9
210.12123	1.8
214.06328	1.8
221.06624	15.3
225.11328	6.6
227.12872	2.4
253.09187	3.2
323.09836	1.7
341.10831	2.8
371.14871	3.2
439.27121	7.6
487.16058	1.9
523.63019	1.8
583.31195	19.9
584.31287	5.2
601.32239	100.0
602.32507	17.8
661.30511	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03448	2.0
57.63662	0.7
58.05395	0.7
59.01378	76.9
61.98828	100.0
69.03455	1.9
69.97919	2.4
69.98335	1.3
71.01379	28.1
72.64120	0.7
72.99316	1.6
73.02940	9.8
81.03486	0.8
83.01391	7.0
83.05023	1.2
85.02946	12.4
85.03414	1.2
87.00890	3.2
89.02448	8.9
95.01379	3.0
97.02934	3.6
99.00877	5.9
101.02431	11.5
101.06152	0.8
111.00873	2.1
113.02437	15.4
113.03180	1.3
115.00368	1.9
125.02442	4.6
131.03500	6.6
133.01491	0.9
134.03697	0.7
135.04541	1.6
137.02489	1.5
141.01976	0.7
143.03557	4.3
149.04594	0.8
159.03070	1.1
161.04550	4.2
173.04646	1.2
179.03506	0.8
179.05682	0.9
181.08722	0.7
209.11879	2.0
217.16119	1.1
235.17023	6.3
277.18280	0.8
289.18274	0.7
349.20392	2.5
367.21225	4.6
392.72275	0.8
409.22552	2.0
433.22275	1.2
445.22546	1.8
463.23639	2.2
475.23575	1.9
493.24133	3.7
511.25433	11.5
512.25922	1.9
553.26648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
58.00539	2.0
59.01378	100.0
61.98826	28.4
68.99556	7.6
69.03458	2.4
69.69331	2.0
71.01376	48.3
71.06701	2.9
72.99300	4.2
73.02945	7.4
80.96499	5.0
83.01370	5.8
83.05016	2.3
85.02951	18.4
87.00864	4.0
87.25092	2.0
88.98806	2.6
89.02449	19.4
91.64897	2.2
93.03438	2.1
95.01376	3.8
96.95983	5.5
97.02961	2.1
99.00865	3.0
101.02445	25.0
112.98576	4.7
113.02446	38.1
115.00362	10.5
119.03495	4.8
119.24461	1.9
125.02441	4.5
131.03476	5.4
133.01425	16.4
135.04475	4.7
136.07660	4.1
143.03468	5.2
149.68651	2.1
161.04524	5.6
162.05563	2.4
169.12334	4.8
171.10321	2.1
178.02641	2.7
179.03403	2.8
179.05629	5.0
191.05606	3.7
209.11824	12.2
213.11194	2.6
217.03555	2.3
225.00775	3.0
227.12898	3.5
253.09094	2.6
411.27393	4.8
471.15393	8.6
555.31683	63.2
556.32031	9.3
573.32751	57.5
574.33209	9.6
583.25110	4.1
615.33496	6.2
627.24170	5.4
659.24341	4.6
659.34113	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	659.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83588	0.5
52.85245	0.6
55.01875	2.2
57.03436	2.9
58.00588	1.3
58.50921	0.6
59.01376	100.0
60.01719	1.4
61.98821	0.7
69.03452	0.7
71.01379	38.4
71.43800	0.6
71.44132	0.8
72.99307	1.9
73.02947	8.8
75.00877	0.7
79.42049	0.5
80.96492	0.5
83.01392	3.8
84.07056	0.5
85.02942	16.0
87.00874	3.4
89.02444	19.8
89.98274	0.5
95.01380	4.6
97.02968	2.1
99.00887	1.9
101.02438	16.1
101.84313	0.5
111.00863	0.9
112.01692	1.2
113.02441	31.5
114.02773	0.8
115.00378	1.0
115.04019	0.7
119.03504	7.6
124.01656	1.3
125.02470	1.9
125.86871	0.6
128.45186	0.6
131.03514	1.8
133.01450	1.0
143.03474	4.2
149.04568	1.6
159.02989	1.0
161.04555	7.0
179.05576	3.0
192.21318	0.7
209.11821	0.8
211.13524	0.6
211.17860	0.7
279.23300	0.9
393.26730	1.0
411.27448	4.0
435.27917	0.8
481.28110	1.0
537.30969	1.1
555.31696	56.3
556.32104	8.9
573.32751	49.7
574.33087	7.7
615.33582	4.7
616.34875	0.8
627.24457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49291	0.5
59.01365	1.7
65.00327	0.7
65.40945	0.6
71.01376	1.8
71.28230	0.8
78.88837	0.6
82.57920	0.5
88.71680	0.5
89.02470	0.5
93.03477	0.8
98.19923	0.6
109.02921	0.7
110.00053	0.9
115.00399	1.2
131.19298	0.6
133.01408	2.0
148.34779	0.6
152.01161	1.9
165.01891	2.4
179.03600	0.6
183.04410	0.6
191.05577	0.9
211.03969	1.3
227.03458	7.5
228.04048	1.0
255.02956	30.5
256.03665	4.6
271.06119	1.4
283.02457	65.0
284.03152	16.3
285.03555	0.8
298.04803	56.4
299.05536	39.3
299.08124	0.4
300.02664	0.7
300.05774	2.9
321.02435	0.7
341.06638	0.9
464.95795	0.6
545.05542	0.6
623.16101	100.0
624.16364	14.9
659.26538	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	68.3
61.98819	4.7
64.97483	1.7
69.10908	10.6
69.11319	4.0
78.04116	1.4
117.81940	1.5
136.93965	3.0
157.03600	3.5
159.01459	3.8
174.99223	18.7
178.95029	3.3
189.22997	1.4
189.86296	1.7
192.95839	3.3
201.02556	25.6
202.02663	3.1
217.00269	100.0
218.00629	3.6
301.02725	2.8
343.03647	2.7
359.01462	36.8
360.01566	4.7
364.67694	1.6
374.99179	61.4
375.99661	2.1
463.87106	1.7
517.00330	11.1
527.40814	1.8
530.45697	2.1
570.61066	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60983	0.4
59.01373	6.3
60.38657	0.4
61.98822	1.8
70.59364	1.1
71.01390	2.9
80.05062	6.8
87.00883	0.6
94.06622	0.5
96.96014	0.8
97.06577	0.4
101.02421	0.6
104.05085	0.7
105.41274	0.4
106.06619	13.4
107.06960	0.5
108.04556	11.3
108.08192	4.5
113.02431	0.8
115.00354	4.4
118.06649	0.5
120.04547	0.6
121.05383	0.5
122.06111	5.6
123.92137	0.5
124.07675	5.9
127.03132	0.5
132.04549	8.3
132.08183	1.4
133.01411	6.3
134.06125	5.9
134.09726	2.4
135.04491	1.1
136.07675	22.7
137.08032	0.9
146.06088	0.8
148.07639	1.3
149.09718	0.4
150.05611	3.2
152.07172	4.6
168.06847	1.8
176.03539	0.8
178.02621	0.6
178.05095	3.9
179.03372	0.8
179.05574	0.6
179.07127	0.5
183.09218	3.3
191.05559	0.7
193.68231	0.5
194.04684	0.5
197.11000	0.4
199.12393	1.4
209.11784	0.9
210.07919	0.7
211.08685	1.0
212.10817	1.0
213.10291	2.5
214.12436	0.7
224.09384	2.7
225.10295	4.4
226.11095	0.6
228.08983	0.5
239.08223	0.5
239.11845	5.1
241.09772	0.7
241.13477	1.8
242.10530	1.6
255.11333	3.4
257.12924	60.0
258.13229	4.3
267.11325	1.3
283.10800	1.1
285.12384	3.5
299.10388	1.2
301.11862	1.0
327.10028	0.6
329.11328	3.0
364.16547	1.3
381.13269	1.2
390.17993	1.1
392.19638	3.4
402.18210	1.3
418.21219	2.0
420.00827	0.5
436.18707	46.5
437.19043	6.5
462.20151	5.1
463.20413	0.9
467.20844	2.0
497.21826	1.2
525.24927	0.8
551.23090	1.0
553.20990	0.6
560.67664	0.5
569.23993	26.7
570.24292	4.5
595.21918	2.0
613.22974	100.0
614.23248	17.3
657.27710	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
59.01379	93.2
61.98830	17.0
71.01381	47.0
72.99306	3.2
73.02934	14.4
77.43810	2.1
83.01386	7.0
85.02940	19.4
87.00874	4.3
89.02431	15.5
95.01416	5.3
97.02931	4.4
99.00877	2.8
101.02428	26.8
105.65450	2.3
113.02457	17.2
115.00377	6.7
116.60272	2.2
119.03566	2.6
125.02450	7.0
128.24132	2.6
131.03493	8.9
133.01396	10.2
135.04497	2.8
137.02405	3.4
143.03444	6.4
149.04550	2.5
151.07587	3.5
159.02869	2.5
161.04538	9.5
162.19356	2.2
163.11290	3.2
171.10265	6.5
178.02695	4.9
179.05595	3.4
207.10217	3.8
209.11813	100.0
209.13818	5.2
210.12183	4.2
211.13374	7.6
225.11148	5.7
227.12837	11.3
228.97812	2.3
235.08022	2.8
239.54967	2.2
253.09317	4.9
275.20032	3.2
401.23212	3.0
407.24255	10.3
513.26788	6.7
551.28589	10.2
569.29663	6.5
611.30670	4.1
637.32312	6.3
655.32379	4.7
655.41602	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	655.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03439	1.3
58.00583	2.1
59.01378	54.9
60.01688	0.9
61.98827	3.9
65.03292	0.6
68.72014	0.5
69.03458	6.2
70.06841	0.5
71.01381	36.5
71.05012	3.6
71.52419	0.5
72.99304	3.0
73.02945	28.4
73.03362	1.4
75.00874	0.9
79.95727	1.3
80.96511	0.8
83.01378	5.1
83.05019	0.6
85.02950	6.4
86.00098	1.6
87.00854	2.8
89.02438	10.8
89.02952	0.9
93.03467	1.0
95.01378	2.0
95.05019	1.0
96.96046	0.7
97.02960	1.3
97.06583	11.2
101.02434	13.9
106.04271	1.5
107.05037	1.0
108.02156	0.8
109.06594	1.0
111.00874	0.8
112.01659	1.0
113.02447	7.7
115.00386	3.3
119.03488	1.4
121.06599	0.9
123.08173	1.4
123.66587	0.5
125.02466	0.6
131.03461	2.9
132.05789	1.1
133.01430	3.9
133.02962	1.3
134.03748	1.2
135.04539	1.3
135.11832	0.6
143.03479	1.3
145.06581	0.6
149.04605	2.7
151.07602	0.6
161.04559	3.2
163.47845	0.6
177.01872	1.0
178.02699	2.6
179.03378	1.1
207.10188	1.1
209.11821	7.1
211.13411	1.7
217.16058	0.9
219.17578	1.0
221.06564	0.8
225.11336	1.1
227.12852	1.4
257.19019	2.0
273.18561	1.6
275.20129	29.0
276.20535	2.3
277.21622	0.7
351.21915	0.7
389.23242	7.0
390.23608	0.8
407.24347	100.0
408.24713	11.8
449.25430	8.2
450.25916	0.8
539.32501	0.6
633.73151	0.6
655.31378	1.3
655.41949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89210	0.3
55.01868	0.5
59.01382	1.2
61.98820	1.0
69.38017	2.2
71.01373	2.2
72.99306	3.0
73.02950	0.7
75.00878	0.4
75.68584	0.4
78.95898	1.0
80.66266	0.3
85.02936	0.9
91.05520	0.3
93.03432	0.5
96.96013	0.7
97.06583	0.3
98.20722	0.6
101.02437	0.5
107.05031	0.8
112.28471	0.3
113.02459	1.6
115.00369	1.7
120.78082	0.3
133.01433	3.1
133.02917	1.6
134.03748	3.6
135.04517	89.6
136.04846	3.4
137.02464	0.9
137.09714	1.3
155.10774	21.9
156.11105	0.9
159.04440	0.6
171.00670	0.6
175.04042	0.3
176.36249	0.4
178.02676	2.5
179.03485	100.0
180.03848	5.0
181.08618	0.5
189.05612	0.5
191.05574	0.9
199.09731	5.0
209.11688	0.4
221.04529	0.3
233.15944	0.4
313.03809	0.4
315.04404	0.4
323.07346	0.4
329.06558	0.6
330.06689	0.4
331.07474	0.4
341.08731	2.0
433.14661	0.4
455.11884	10.2
455.17865	0.7
456.12399	0.7
473.13217	1.9
475.18106	2.3
523.18420	0.5
539.33649	0.7
611.23779	0.4
655.22430	55.9
656.22766	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	655.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95132	0.3
55.01867	0.4
57.03443	0.3
59.01380	2.1
61.98818	1.3
70.60296	1.1
71.01384	2.2
72.99303	5.0
73.02946	1.2
85.02962	1.1
87.00862	0.4
89.02461	0.5
93.03427	0.4
101.02452	0.7
107.05016	0.8
109.02959	0.6
113.02435	2.1
115.00382	0.9
117.03476	0.7
121.02931	0.7
133.01422	1.8
133.02939	3.1
134.03743	6.4
135.04517	100.0
136.04848	3.8
137.02441	1.3
137.09732	1.9
147.04480	0.4
149.06027	0.8
151.03922	0.4
152.01112	0.5
155.10770	24.0
156.11093	0.7
159.03210	0.4
159.04520	1.2
160.01660	0.4
161.02429	9.4
162.02888	0.4
162.13251	0.3
166.76775	0.3
173.06061	0.5
175.04034	0.5
177.01965	0.9
177.05553	1.7
178.02760	1.9
179.03481	76.4
180.03799	3.3
181.08765	0.4
189.05611	0.4
191.05499	0.4
191.07138	0.4
199.09738	5.2
201.05495	0.5
203.03485	0.7
227.63301	0.4
235.06187	0.5
259.42569	0.3
293.06635	3.6
323.07748	1.6
341.08728	3.4
455.05481	0.8
455.11890	16.4
455.56787	0.4
456.12100	1.6
473.12973	1.6
475.17877	2.1
523.18298	0.7
536.00018	0.3
552.39050	0.4
612.62335	0.4
655.22363	71.2
656.22620	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	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03441	1.0
58.00591	1.6
59.01373	35.9
60.01707	0.3
61.98827	1.9
62.20620	0.2
62.83421	0.2
68.99813	0.3
69.03448	2.1
70.65784	0.6
71.01375	34.1
72.01749	0.5
72.99311	3.1
73.02940	5.4
75.00871	0.7
78.95827	0.3
80.76792	0.2
80.87662	0.2
81.03452	1.5
83.00910	0.4
83.01379	4.3
83.05011	0.4
85.02944	7.5
86.00124	0.5
87.00870	9.0
87.04529	0.4
89.02436	28.2
91.04005	0.8
93.85168	0.2
95.01376	2.5
95.05021	0.3
97.02941	5.7
97.03571	0.3
99.00867	2.3
99.04508	0.4
101.02431	30.9
102.02794	0.5
103.04008	0.4
109.02929	0.7
111.00877	0.5
111.04496	1.1
113.02441	14.7
115.03981	0.8
119.03487	9.7
121.02943	0.6
123.00872	0.4
123.04573	0.4
124.01669	0.3
125.02434	12.1
126.02755	0.3
127.04028	0.4
130.94841	0.3
131.03482	1.3
133.01425	0.3
133.05042	1.4
137.02393	0.3
139.04018	1.0
141.01929	0.9
142.89441	0.2
143.03482	6.1
149.04488	1.2
161.04532	6.9
161.05867	0.4
167.03510	0.7
169.04994	0.8
171.02921	0.4
175.06317	0.3
179.05589	6.8
185.04457	0.5
199.06099	0.7
203.05574	0.3
209.11826	0.4
217.07014	1.2
219.05107	0.3
221.06622	1.9
235.08194	14.2
236.08554	0.6
245.06493	0.5
253.09258	3.3
255.23256	98.7
256.23611	7.9
256.26331	0.3
263.07645	1.5
269.24792	0.7
277.09280	0.9
287.07693	4.1
305.08746	5.1
306.09283	0.4
323.09778	1.7
323.23264	0.3
379.12308	1.4
397.13437	100.0
398.13782	7.2
415.14514	34.8
416.14877	2.3
456.10104	0.3
584.02826	0.2
621.22906	0.4
653.37506	1.0
657.65747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
58.30273	3.1
59.01374	100.0
59.13983	3.7
61.98830	17.7
62.44461	3.0
63.36971	3.2
69.03453	5.1
70.41666	5.7
71.01373	39.7
72.99312	5.0
73.02940	12.2
83.01385	5.2
85.02934	15.5
87.00885	5.0
88.57334	3.0
89.02445	6.9
95.01366	5.7
95.05035	5.2
96.95985	3.7
99.00858	5.7
101.02452	20.7
108.28739	3.4
113.02437	13.6
115.00387	7.9
122.98319	2.9
125.02387	5.5
130.54276	3.8
131.03485	4.9
133.01402	6.9
133.02901	3.4
143.03476	6.4
151.07607	4.3
161.04541	3.7
168.60811	3.5
171.10239	4.8
171.86429	3.8
177.01950	4.5
207.10207	3.9
209.11850	7.7
225.11125	4.4
241.82300	3.1
273.18457	9.5
349.19720	4.0
405.23184	6.4
409.36502	3.2
511.25677	4.0
653.31519	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	653.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40739	1.2
55.01868	3.7
58.00591	1.3
59.01376	100.0
61.98817	4.6
69.03448	4.4
69.31738	3.9
69.32166	5.4
71.01379	56.0
72.99300	4.1
73.02942	53.7
74.03278	1.3
75.00827	1.2
78.95898	6.2
81.01073	1.1
83.01384	13.0
85.02953	13.0
86.00085	2.6
87.00862	4.1
89.02449	12.5
89.85748	1.0
93.03446	2.4
95.01402	2.5
95.05029	7.2
96.96011	1.1
97.02950	6.2
97.06613	1.3
101.01802	2.1
101.02438	34.8
108.02119	1.3
109.02915	1.5
109.06576	2.1
111.00841	1.2
112.01682	2.4
113.02444	14.0
115.00345	5.2
119.03501	4.0
121.02926	4.9
122.03736	4.1
125.02446	2.8
127.03989	1.7
131.03479	4.8
133.01428	5.5
133.02979	2.6
134.03746	2.1
135.04498	3.0
137.02437	3.4
143.03503	3.1
149.04518	3.4
152.99492	1.3
158.07326	2.2
161.04587	7.6
162.69484	1.2
177.01968	2.2
178.02562	2.1
179.03506	1.4
179.10757	2.2
191.05586	2.8
196.21336	1.1
205.12299	1.8
209.11833	1.6
217.15993	1.4
225.11258	1.7
255.17212	1.2
273.18579	10.2
278.12320	1.1
289.18045	3.7
290.18515	1.4
291.19644	9.7
293.10349	2.3
308.37860	1.2
315.19547	1.3
321.20938	1.1
347.21881	1.5
405.22794	66.7
406.23132	7.6
421.22501	8.5
422.22894	4.2
423.23746	11.0
424.24338	2.2
447.23630	3.6
465.24765	9.1
476.78659	1.1
489.24393	1.5
519.29822	1.5
533.04767	1.1
537.30719	2.5
567.28113	5.6
568.27704	1.9
587.42657	1.3
653.33557	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	653.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
59.01371	1.8
61.98818	1.9
62.61436	0.3
63.98832	0.3
71.01380	3.1
71.51073	0.4
72.99299	3.2
73.02955	0.5
74.10114	0.3
77.81547	0.3
78.95913	0.6
85.02948	0.9
87.00879	0.6
89.02442	0.8
91.01879	2.1
93.03446	0.4
95.01397	0.6
96.96012	2.3
99.00877	0.5
101.02457	0.7
102.98611	0.6
107.04977	0.5
108.02153	3.1
109.02965	1.5
113.02477	1.5
115.00340	2.5
119.05017	1.3
121.02957	0.6
123.00874	1.1
123.04553	0.4
124.70426	0.5
128.12053	0.3
133.01421	2.4
133.02968	1.2
134.03723	4.1
135.00964	2.3
135.04523	81.5
136.04843	3.0
137.02466	1.9
152.01170	4.0
153.01906	1.1
153.09215	4.2
159.04495	0.6
163.04039	1.1
177.01900	0.8
178.02695	2.5
179.03491	100.0
180.03862	4.1
191.05605	0.9
197.06178	0.4
197.08197	0.8
221.04396	0.4
233.04488	0.4
243.06593	22.7
244.06837	0.9
247.43843	0.4
283.04938	0.6
293.06638	0.6
323.07532	0.9
341.08829	2.7
383.09750	1.2
405.11942	7.5
406.12201	1.0
455.11923	22.1
456.06689	0.4
456.12073	2.0
473.12701	7.4
473.18280	0.5
474.13272	0.8
537.32782	0.7
609.21741	5.8
610.21912	1.1
653.20770	26.8
653.32825	1.5
654.21350	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	653.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03420	0.6
58.98622	0.5
59.01375	5.6
61.98824	2.7
67.04485	0.5
71.01369	4.9
71.43546	0.5
71.43893	0.6
72.99306	5.1
73.02930	1.1
75.00879	0.5
84.68504	0.4
85.02953	2.5
87.00893	0.6
88.98820	0.5
89.02441	1.6
89.62255	0.6
96.96004	1.5
97.02945	0.7
99.00854	0.9
99.54264	0.5
101.02433	1.9
107.04977	1.2
108.02169	13.9
109.02963	3.2
113.02445	2.1
115.00341	1.4
121.02976	0.8
125.02443	0.6
131.03529	0.5
133.01431	3.0
133.02931	2.8
134.03737	5.8
135.04514	100.0
136.04832	3.6
137.02460	1.8
139.03993	0.7
147.04456	0.7
149.06052	0.9
151.03979	0.8
152.01147	25.9
153.01799	0.7
153.09219	4.9
159.04491	0.9
160.01640	0.6
161.02434	12.1
162.02779	0.5
163.03963	2.0
173.06100	0.8
177.01860	0.9
177.05498	1.1
178.02672	1.8
179.03477	74.7
180.03809	3.0
189.05499	0.7
191.05533	0.8
197.08173	1.1
201.05531	0.7
209.11787	0.9
219.06476	0.5
221.04474	1.2
223.09779	0.5
245.04547	0.5
293.06583	4.8
306.01636	0.9
323.07684	2.2
334.01089	2.5
341.08710	2.4
353.08554	0.7
429.10236	2.7
442.13007	0.6
447.11359	8.1
455.11911	32.8
456.12253	2.8
458.14874	0.5
473.12589	11.3
474.13049	0.6
593.28125	0.5
609.21790	14.2
610.22412	2.2
646.72723	0.5
653.20801	52.0
654.21033	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	653.1721
Annotation	5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside)
Peak:m/z	Relative Intensity
59.01379	3.3
61.98822	1.1
62.51151	0.5
69.03402	0.6
69.29614	4.9
71.01376	5.1
72.99329	1.0
73.02920	0.6
74.06042	0.7
78.95886	2.8
85.02929	0.8
89.02434	1.8
96.96001	7.5
98.19933	1.4
101.02409	1.5
107.34680	0.6
108.02143	2.2
110.00066	1.0
113.02452	0.7
114.73444	0.7
115.00348	3.9
120.60233	0.7
121.02940	0.7
133.01370	2.8
135.04483	2.7
139.72937	0.6
152.01114	2.3
154.14250	0.8
165.01967	3.4
171.00636	2.6
179.03410	2.1
198.03149	1.5
199.03886	0.8
213.05551	0.8
214.02661	1.0
226.02695	3.5
227.03308	0.8
232.24277	0.6
241.05139	1.2
242.02196	10.5
243.02925	4.9
245.00858	0.8
254.02150	5.7
257.04559	8.3
258.05035	1.0
269.04483	6.7
270.01688	10.3
271.02438	15.0
272.02676	0.7
285.04059	14.6
286.04639	3.1
298.01141	4.6
298.98669	1.3
299.01953	20.0
300.02295	1.6
301.07101	1.7
313.03522	70.3
314.04233	31.8
314.87350	0.6
315.04681	2.8
328.05856	35.2
329.06616	66.4
330.06943	5.0
371.07428	0.9
375.27615	1.9
473.12595	0.8
490.18582	0.7
502.31543	0.7
536.30981	0.8
537.32727	20.7
537.40985	1.1
538.33044	2.0
653.17163	100.0
654.17456	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	653.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03445	0.7
59.01375	7.4
61.98829	5.6
69.03451	0.5
70.93561	0.4
71.01376	7.7
71.52139	0.7
72.99296	5.5
73.02943	1.1
75.00874	0.5
77.38097	0.5
78.95869	0.7
79.45458	0.4
85.02942	2.5
87.00883	0.8
88.98781	0.6
89.02412	2.2
89.03923	0.5
89.73895	0.4
93.03456	0.6
95.01393	1.0
96.84648	0.4
96.96013	7.3
97.02989	0.5
99.00880	1.3
101.02444	1.9
107.05037	1.7
108.02168	18.2
109.02985	3.8
111.00927	0.9
113.02417	2.2
115.00391	4.4
117.03526	0.6
119.05098	0.6
121.02932	0.5
125.02425	0.8
133.01431	7.8
133.02934	4.1
134.03734	6.0
135.04518	100.0
136.04837	3.2
137.02443	1.4
139.03984	0.5
143.03543	0.4
147.04475	0.6
149.06076	0.9
152.01144	31.3
153.01752	1.5
153.09209	4.4
159.04507	1.3
161.02425	10.9
161.04568	1.0
161.05960	0.5
162.02779	0.5
163.04053	2.1
173.06139	0.6
174.32495	0.4
175.04114	0.6
177.01901	1.4
177.05608	1.0
178.02689	1.6
179.03485	72.0
179.10678	0.9
180.03860	2.9
189.05501	0.8
191.05652	1.6
197.08101	1.0
205.32826	0.4
209.11823	1.9
221.04521	1.2
227.12819	1.0
231.10947	0.4
234.03235	1.6
290.02032	0.4
293.06653	5.4
306.01691	2.9
308.47797	0.5
315.07162	0.6
323.07794	2.2
334.01160	11.6
335.01428	1.0
341.08624	3.2
342.46762	0.4
429.10379	2.9
442.12820	1.0
443.12979	0.8
447.11380	9.8
448.12137	0.7
455.11923	30.3
456.12350	2.6
457.15378	0.5
458.15451	0.9
472.17542	1.5
473.12497	11.7
473.18219	2.4
584.04382	0.5
609.21686	16.4
610.22003	2.4
653.20807	56.3
654.21094	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	651.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
69.51619	1.7
72.00903	4.0
74.02470	3.3
89.02440	0.6
93.03455	5.8
96.95982	0.5
98.19896	0.4
106.04240	1.4
107.05001	0.5
108.02180	0.3
119.05020	4.2
121.06584	0.8
126.90006	0.3
128.07156	1.2
132.05801	4.2
133.01421	0.5
133.06549	0.8
135.04512	0.7
136.07678	0.4
161.09727	2.7
163.03987	3.6
164.04803	2.9
174.10509	0.6
175.11214	0.4
176.10799	0.3
178.12384	1.3
179.03445	0.4
179.05676	0.3
180.06656	28.2
181.07051	1.1
187.11281	6.5
188.11588	0.5
190.12334	0.4
202.12349	2.2
204.13876	3.4
206.09473	0.7
221.16499	0.4
222.11308	0.5
226.19690	0.3
230.11897	0.4
231.10208	0.7
234.11459	0.6
248.12889	8.9
249.13348	0.8
263.13974	2.7
265.15558	1.0
291.13434	0.3
292.12241	0.4
309.14542	100.0
310.14923	8.1
412.62637	0.3
497.74591	0.3
521.60980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78304	0.9
59.01368	2.4
62.27371	0.9
68.92503	1.2
71.01378	18.5
71.52268	1.4
72.99310	1.4
74.68076	1.1
75.00858	2.0
77.03959	2.2
85.02932	1.7
88.98808	2.3
89.02457	2.2
93.03477	1.7
95.05015	3.5
96.95999	4.2
99.00810	1.1
101.02402	1.9
105.03465	15.0
113.02441	1.2
115.00365	20.0
121.02972	1.3
123.04545	1.6
133.01456	18.5
133.02948	98.7
134.03824	5.2
135.04520	100.0
136.04836	4.3
137.02437	3.2
139.03963	1.1
150.03185	3.9
151.03975	2.6
153.11794	1.0
161.02399	2.3
162.03180	4.1
163.04063	1.7
165.05571	4.1
175.03865	1.2
176.94919	1.0
177.01921	73.0
177.05489	4.3
178.02654	8.9
179.03487	93.9
180.03990	5.7
191.05559	2.0
193.04988	2.0
195.06613	4.2
209.11836	1.6
227.13007	1.2
245.13954	1.7
261.17001	1.2
329.10193	8.7
343.08261	1.4
350.02225	1.1
355.08044	3.1
357.11963	2.9
373.09225	55.0
374.09570	4.5
463.18320	1.2
491.15366	3.1
514.09351	1.2
535.14490	47.2
536.14502	8.2
651.21448	5.8
652.20746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28377	0.5
55.01871	0.8
59.01378	37.3
60.01675	0.5
61.98816	2.1
66.13253	0.6
70.34138	1.6
71.01380	21.1
72.02930	0.5
72.99314	1.0
73.02949	4.0
75.00871	0.7
78.95895	0.7
82.10131	0.5
83.01377	1.7
85.02954	5.6
87.00864	0.8
89.02450	2.9
95.01402	0.8
96.96004	0.8
99.00875	1.5
101.02441	9.3
102.03830	0.6
103.00397	0.5
113.02446	6.2
115.00368	12.0
115.62354	0.5
119.03474	1.2
127.11271	0.7
133.01428	10.4
133.02930	1.7
134.01714	0.6
134.03735	1.2
135.04514	1.8
137.02394	1.1
159.04515	0.6
161.04559	1.5
177.01913	1.0
178.02713	2.5
179.03461	1.7
209.11667	0.7
247.22449	0.5
256.85855	0.6
265.25330	1.8
267.20749	0.5
267.23187	3.0
283.13272	0.7
292.64014	0.5
295.66537	0.5
332.16553	0.6
391.11942	0.7
392.12134	0.9
473.31161	0.7
511.21832	0.7
515.32050	1.1
533.33276	100.0
534.33630	14.7
534.40216	0.4
649.34991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78304	0.9
59.01368	2.4
62.27371	0.9
68.92503	1.2
71.01378	18.5
71.52268	1.4
72.99310	1.4
74.68076	1.1
75.00858	2.0
77.03959	2.2
85.02932	1.7
88.98808	2.3
89.02457	2.2
93.03477	1.7
95.05015	3.5
96.95999	4.2
99.00810	1.1
101.02402	1.9
105.03465	15.0
113.02441	1.2
115.00365	20.0
121.02972	1.3
123.04545	1.6
133.01456	18.5
133.02948	98.7
134.03824	5.2
135.04520	100.0
136.04836	4.3
137.02437	3.2
139.03963	1.1
150.03185	3.9
151.03975	2.6
153.11794	1.0
161.02399	2.3
162.03180	4.1
163.04063	1.7
165.05571	4.1
175.03865	1.2
176.94919	1.0
177.01921	73.0
177.05489	4.3
178.02654	8.9
179.03487	93.9
180.03990	5.7
191.05559	2.0
193.04988	2.0
195.06613	4.2
209.11836	1.6
227.13007	1.2
245.13954	1.7
261.17001	1.2
329.10193	8.7
343.08261	1.4
350.02225	1.1
355.08044	3.1
357.11963	2.9
373.09225	55.0
374.09570	4.5
463.18320	1.2
491.15366	3.1
514.09351	1.2
535.14490	47.2
536.14502	8.2
651.21448	5.8
652.20746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26638	0.4
55.01863	1.8
57.03442	1.2
58.00591	2.5
58.74412	0.4
59.01378	48.9
61.98836	2.8
62.41974	0.4
67.01881	0.4
68.99815	0.5
69.03455	3.0
69.49683	2.9
71.01379	43.3
72.01704	0.6
72.99299	3.2
73.02562	0.7
73.02943	7.7
75.00859	0.8
76.10802	0.4
81.03453	1.7
83.01381	5.7
83.05023	0.9
85.02947	9.1
86.00095	0.4
87.00871	10.4
89.02441	36.4
90.02766	0.4
91.04008	0.6
92.25220	0.4
93.03440	0.6
95.01374	2.3
97.02944	6.9
98.19904	0.8
99.00870	3.0
99.04522	0.8
101.02438	36.4
101.80398	0.4
101.95639	0.3
102.02780	0.5
109.02985	0.5
111.00881	0.8
111.04512	1.1
113.02445	19.1
113.32508	0.5
114.02729	0.5
115.00409	0.6
115.04017	1.3
116.40326	0.4
119.03497	12.8
121.02954	0.9
125.02440	13.4
126.02804	0.6
129.02025	0.6
131.03484	1.8
133.01411	1.2
133.05074	1.1
139.04001	1.4
141.01883	0.9
143.03484	5.9
149.02478	0.4
149.04559	0.7
161.04541	9.8
167.03464	1.1
169.05019	0.7
171.02977	0.5
179.03375	0.5
179.04056	0.6
179.05617	7.6
185.04541	0.8
185.45143	0.4
191.05473	0.4
199.06059	0.5
205.19592	1.2
209.11827	0.4
217.07137	0.7
219.05214	0.4
221.06674	2.6
231.17569	1.4
235.08223	16.4
245.06607	1.2
247.17012	0.5
249.18578	100.0
250.18927	6.8
253.09253	6.3
263.07739	1.5
277.09244	1.5
287.07712	3.6
305.08762	4.8
323.09723	1.8
361.11276	0.9
379.12436	1.5
397.13474	96.8
398.13745	7.5
398.18549	0.6
415.14548	41.6
416.14978	2.4
472.94928	0.4
501.07507	0.4
647.34137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46025	0.4
55.01870	1.6
57.03434	1.5
58.00597	1.7
59.01377	43.0
60.01717	0.3
61.98830	2.8
69.03458	1.8
71.01379	37.8
71.18333	0.3
71.51932	0.5
72.01714	0.6
72.99309	3.5
73.02562	0.4
73.02946	6.9
73.29710	0.3
75.00883	0.8
80.47326	0.3
81.03452	2.1
83.01379	6.3
83.05015	1.0
85.02946	8.7
87.00867	9.2
87.04499	0.6
89.02441	32.1
90.02769	0.7
91.03995	1.2
95.01395	2.9
97.02943	6.7
99.00863	2.9
99.04500	0.7
101.02438	35.6
101.68362	0.3
103.04018	0.5
107.40401	0.3
109.02910	0.7
111.00864	0.7
111.04527	1.2
113.02443	16.8
115.00364	0.6
115.03995	0.9
119.02665	0.6
119.03499	9.8
121.02948	0.6
124.01685	0.4
125.01530	0.7
125.02441	12.4
126.02811	0.7
127.04025	0.6
129.01926	0.5
131.03488	2.5
133.01431	1.1
133.05052	1.3
135.44482	0.3
137.02455	0.5
139.03995	1.1
141.01891	0.7
143.03487	6.7
149.04488	1.2
157.05057	0.4
161.04544	10.5
167.03430	0.8
169.05060	0.6
179.03514	0.4
179.03786	0.5
179.05594	6.5
180.60045	0.4
185.04492	0.4
191.05460	0.4
197.45435	0.3
203.05551	0.8
205.19478	0.8
209.11873	0.6
217.07133	1.1
221.06744	1.8
231.17511	1.1
235.08223	15.2
236.08534	0.6
245.06696	0.9
247.17003	0.7
249.18568	100.0
250.18927	7.8
253.09270	6.9
263.07806	1.8
263.20044	0.6
277.09094	0.6
287.07736	3.6
300.76309	0.3
305.08728	4.1
323.09753	1.6
379.12375	1.1
397.13474	96.2
398.13910	7.4
415.14548	40.7
416.14987	2.8
560.93787	0.4
610.12891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.5
59.01379	6.4
61.98859	0.4
63.68344	0.4
70.02976	6.4
70.65195	0.5
70.65556	0.9
71.01373	1.4
72.00906	1.9
72.04536	1.1
74.02470	37.7
75.02795	0.4
77.92060	0.3
83.01431	0.4
96.95981	0.4
98.02477	7.5
101.02430	1.1
112.84202	0.4
116.03543	10.4
116.05049	12.2
117.05374	0.5
130.06630	1.3
133.01413	0.6
142.06606	3.0
146.12073	0.4
151.00389	0.4
159.09276	2.2
161.04562	0.6
183.09229	0.7
186.05492	0.6
200.16476	0.4
201.10301	3.0
203.08255	38.4
204.08531	1.8
227.03508	4.7
229.05057	1.2
235.56589	0.5
245.09288	100.0
246.09621	5.6
255.02957	8.2
256.03394	0.8
269.10260	0.6
272.60782	0.4
278.26447	0.4
284.03244	14.9
285.03976	8.4
286.04239	0.6
413.01877	0.4
419.93152	0.4
595.32446	0.4
609.14526	19.8
610.14990	2.7
645.21375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61592	0.2
55.01866	0.2
58.00606	0.2
58.04672	0.2
59.01377	8.9
60.01708	0.2
61.98825	1.2
62.82078	0.2
65.43056	0.2
69.03448	0.2
69.63668	0.2
71.01378	4.1
72.99294	0.3
73.02946	0.6
80.02672	1.5
81.03446	1.6
83.01388	1.2
83.05023	13.0
84.02139	0.9
84.05363	0.3
85.02943	1.0
87.00883	0.7
88.98776	0.2
89.02451	2.4
93.03468	0.5
93.92905	0.2
95.01376	0.3
95.05045	1.0
96.24334	0.2
96.96012	0.8
97.06604	0.8
99.00913	0.2
101.02435	3.1
107.05001	0.3
109.02931	0.4
109.06584	1.5
113.02455	1.2
115.00334	1.0
115.04064	0.2
119.03494	0.5
123.04594	0.2
125.02427	0.5
125.06087	0.7
125.09673	0.3
128.03490	0.2
133.01433	1.6
133.02936	0.2
134.03778	0.3
135.04541	0.6
135.08160	3.5
137.09724	1.2
143.03583	0.3
143.07153	1.0
145.05045	0.3
159.67075	0.2
161.04607	1.3
161.05833	0.2
163.07628	1.1
163.11290	3.2
165.12839	2.0
167.03430	0.3
171.10258	1.6
175.43831	0.2
177.01820	0.3
178.02805	0.4
179.03435	0.5
179.05571	0.3
181.08690	41.3
182.09042	1.8
191.05560	0.8
191.10800	1.0
193.08614	0.3
199.09750	4.7
199.13460	0.3
201.11305	0.6
207.10237	0.3
209.11806	100.0
210.12137	5.4
211.13376	0.4
219.10255	0.6
221.11754	0.4
223.13333	0.2
225.11275	0.5
227.12865	13.7
228.13164	0.6
235.08199	1.8
247.13312	0.5
253.09264	9.4
254.09511	0.4
265.14371	0.3
292.62006	0.2
293.04404	0.2
304.89658	0.2
305.84128	0.2
347.22281	0.2
363.21594	0.2
373.20148	0.3
391.21149	0.3
417.17953	0.2
445.20859	1.1
463.21658	0.4
483.22849	0.2
583.27405	0.4
601.28522	0.3
609.29095	0.7
627.29889	0.8
645.30157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21571	0.4
58.95435	0.4
59.01382	2.3
61.55973	0.5
61.98811	1.1
70.05578	1.0
70.05968	0.8
70.70862	0.4
71.01374	3.7
73.02949	0.7
79.95736	1.3
80.96516	1.5
82.14953	0.4
85.02950	1.9
89.02396	0.5
95.95226	0.7
96.96006	53.5
98.19991	0.7
101.02425	1.8
113.02468	0.5
115.00347	3.1
119.04970	0.5
120.99641	1.5
122.97576	1.2
133.01430	5.6
133.02963	1.4
135.04546	2.2
149.02484	0.6
150.03255	1.2
150.97061	1.4
160.04037	0.5
161.02455	0.5
163.03987	1.2
165.05515	1.0
173.04521	0.7
175.02475	0.6
177.01923	1.0
179.03456	2.6
180.98119	1.3
191.05643	0.9
209.11823	0.5
241.00215	2.6
261.28897	0.4
264.13678	0.4
293.12366	0.8
349.05957	100.0
350.06137	6.9
423.16394	1.1
611.94666	0.5
645.21240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.93874	0.2
57.03442	1.2
58.00589	2.0
59.01376	100.0
60.01709	1.1
61.98821	0.5
65.46270	0.2
69.03452	0.5
71.01378	52.2
71.51546	0.4
72.01723	0.5
72.99302	3.4
73.02943	11.3
74.03299	0.3
75.00868	0.5
79.95749	0.2
81.03465	0.4
83.01380	5.0
84.02176	0.2
85.02945	13.1
86.03317	0.2
87.00873	3.3
89.02441	39.3
90.02741	0.4
95.01382	4.3
96.96010	1.2
97.02946	0.9
99.00877	2.0
99.04536	0.3
101.02437	29.2
102.02767	0.7
107.03555	0.2
111.00888	0.4
112.01640	0.3
113.02444	34.9
114.02803	0.5
115.00378	1.0
115.04057	0.4
117.03458	0.6
119.03494	17.9
120.03840	0.5
124.01665	0.6
125.02452	2.0
131.03510	2.7
133.01395	1.1
133.02986	0.3
134.03685	0.3
135.04504	1.4
143.03497	7.1
143.04631	0.4
144.03845	0.2
149.04556	2.6
155.03513	0.2
161.04543	11.2
162.04857	0.3
177.01869	0.2
179.03572	1.0
179.05598	15.0
180.05881	0.4
187.02521	0.5
189.01918	0.2
195.00597	0.2
209.11848	0.7
215.35985	0.3
221.06691	0.7
225.11317	0.5
227.12988	0.3
299.02155	0.4
309.45544	0.2
314.04111	0.5
355.08197	0.3
417.74121	0.3
421.25812	0.2
439.26868	0.4
461.19208	0.2
547.29401	0.3
583.21454	0.4
583.31152	17.5
584.31390	2.5
601.32233	28.8
602.32642	4.4
643.25012	0.4
643.33643	4.4
644.33276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01372	3.9
61.98820	1.3
69.03428	0.7
69.56543	2.4
69.56967	2.2
72.99303	21.1
73.02943	2.1
75.00858	0.9
76.01527	0.7
76.74157	0.7
80.62560	0.7
85.02954	2.2
89.02445	3.9
93.03426	1.3
98.84550	0.7
99.00908	0.7
101.02452	2.3
113.02457	4.1
115.00379	3.8
117.03464	1.1
119.05021	100.0
120.05331	3.2
125.02460	1.1
133.01413	5.9
135.04535	4.1
137.02554	0.6
137.09721	4.8
145.02919	3.6
152.01166	1.0
155.10768	64.8
156.11102	1.8
162.03207	1.1
163.04002	65.3
164.04335	3.0
173.05978	0.7
179.03484	2.7
179.05673	1.0
199.09750	16.2
203.45422	0.7
232.12740	0.7
259.16849	0.7
277.07220	1.2
299.01987	1.4
307.08176	0.8
314.04572	0.8
315.05203	0.7
325.09253	1.3
407.17471	1.0
439.12466	10.7
440.13007	0.9
445.48282	0.7
455.11984	0.8
457.13580	5.1
459.27548	1.0
475.17923	1.5
639.22974	96.3
640.23236	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	643.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89336	0.6
58.00583	1.7
59.01377	21.2
59.76371	0.7
61.98830	1.2
62.37029	0.7
69.03448	1.0
69.42673	5.0
71.01379	17.8
72.99344	0.7
73.02951	3.5
80.02682	1.2
81.03461	2.2
82.78492	0.7
83.01385	1.6
83.05019	5.6
84.02183	1.0
85.02963	3.4
87.00880	3.6
87.59009	0.7
88.98803	0.9
89.02435	17.1
95.01386	1.6
95.05041	1.0
97.02945	1.9
98.04202	0.6
98.19910	1.5
101.02446	13.8
106.76500	0.7
113.02436	6.2
115.00378	2.1
119.03510	4.8
123.00845	0.8
125.02423	5.1
125.09698	2.7
127.04005	0.8
127.11290	4.5
131.03450	1.1
133.01395	1.8
133.05022	1.0
135.04472	1.1
135.08186	0.9
139.11214	1.6
143.03503	2.8
149.04488	0.9
155.10782	2.1
161.04527	2.5
163.11232	3.1
165.09190	1.7
165.12801	2.1
171.10228	1.2
179.03455	0.8
179.05617	4.0
181.12398	0.8
191.05615	1.8
191.10808	0.9
192.04321	0.7
199.09792	1.6
201.11314	93.6
202.11636	5.2
207.06567	0.9
209.11812	100.0
210.12135	6.1
221.06631	1.1
225.07407	0.9
227.12868	21.1
228.13185	1.4
235.08170	6.5
253.09241	2.4
263.03415	1.6
287.07709	1.9
305.08685	1.9
323.09882	1.1
335.01926	6.2
397.13486	56.2
398.13736	4.4
403.13739	0.9
415.14551	41.0
416.14835	2.3
538.01050	0.8
599.25372	10.9
607.26105	2.3
614.10388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01379	3.4
61.98817	1.2
64.76974	0.4
69.03435	1.1
69.19911	3.1
71.01373	4.0
72.99304	6.5
73.02937	0.5
75.00876	0.5
85.02946	1.3
87.00887	0.7
89.02432	0.7
89.04002	0.4
91.05534	0.5
93.03467	0.4
97.02927	0.4
98.20606	0.8
99.00847	0.6
101.02432	0.8
107.05028	1.6
108.22108	0.3
109.02930	0.5
110.31608	0.3
111.29527	0.3
113.02422	2.0
115.00370	2.3
116.92880	0.7
117.03406	0.7
119.04998	0.9
121.02971	1.0
133.01414	3.0
133.02943	3.9
134.03754	6.0
134.04689	0.6
135.04515	100.0
136.04854	4.0
137.02425	1.6
139.03972	1.4
139.11263	0.7
147.04485	0.8
149.06021	0.6
159.04514	1.0
161.02438	11.8
163.03969	0.6
165.01965	0.4
173.06088	0.5
175.03960	0.9
177.01971	0.8
177.05621	1.3
178.02699	2.4
179.03484	84.2
180.03821	3.6
183.10229	1.3
189.05548	0.6
191.05612	0.5
191.07214	0.5
192.18567	0.4
201.05592	0.6
209.11792	0.6
221.04625	1.1
233.04448	0.8
235.06133	0.7
245.04575	0.4
254.14595	0.4
271.02548	1.1
275.05823	0.6
277.18195	0.5
293.06647	6.3
299.01944	2.0
314.04419	1.7
315.05054	0.6
323.07666	2.6
330.31348	0.4
341.08685	3.5
353.08682	0.4
455.11914	48.1
456.12274	4.4
473.12988	27.4
474.13278	2.7
523.17511	0.4
550.55402	0.4
639.23212	30.2
639.34424	3.9
640.23260	4.8
640.32922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1561
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
59.01379	3.9
59.92605	0.7
61.98829	1.7
72.99314	1.3
83.01376	1.0
85.02937	0.9
88.03416	0.7
89.02431	1.4
89.65908	0.6
95.01380	1.1
96.95978	0.7
101.02431	1.8
103.84079	0.6
107.01379	1.8
109.02949	1.1
113.02423	1.0
115.00347	3.1
118.27660	0.6
121.02896	0.9
123.00887	6.5
124.01665	18.1
125.02450	10.2
127.08334	0.7
133.01404	3.1
133.02887	1.2
134.03719	5.9
135.04550	3.9
137.02390	1.3
147.04436	0.9
149.05942	0.9
149.98372	1.3
149.99574	23.8
151.00374	4.0
165.01892	0.6
165.05544	1.1
168.00632	45.0
169.01385	4.5
175.02414	1.1
178.02762	0.7
179.03412	3.0
183.04568	0.8
187.03915	0.7
191.05544	0.9
193.05060	3.0
197.11835	4.6
199.03931	2.1
201.11302	0.9
215.03470	0.8
227.03424	2.1
241.10759	0.9
242.02312	1.7
243.02963	12.6
244.03484	1.0
254.02039	1.0
255.02939	9.0
256.03485	0.8
257.04514	1.8
259.06192	0.7
270.01599	1.9
271.02441	24.0
272.03049	3.3
285.03986	2.6
286.04892	0.8
287.05527	0.8
299.01913	18.1
300.02704	26.6
301.03186	1.7
314.04285	14.1
315.05072	54.6
316.05383	2.8
331.06619	2.0
361.18594	0.8
463.10724	1.6
473.12711	1.5
523.23901	3.5
638.64783	1.7
639.15594	100.0
639.24823	7.8
640.15900	13.9
640.24866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
59.92605	0.7
61.98829	1.7
72.99314	1.3
83.01376	1.0
85.02937	0.9
88.03416	0.7
89.02431	1.4
89.65908	0.6
95.01380	1.1
96.95978	0.7
101.02431	1.8
103.84079	0.6
107.01379	1.8
109.02949	1.1
113.02423	1.0
115.00347	3.1
118.27660	0.6
121.02896	0.9
123.00887	6.5
124.01665	18.1
125.02450	10.2
127.08334	0.7
133.01404	3.1
133.02887	1.2
134.03719	5.9
135.04550	3.9
137.02390	1.3
147.04436	0.9
149.05942	0.9
149.98372	1.3
149.99574	23.8
151.00374	4.0
165.01892	0.6
165.05544	1.1
168.00632	45.0
169.01385	4.5
175.02414	1.1
178.02762	0.7
179.03412	3.0
183.04568	0.8
187.03915	0.7
191.05544	0.9
193.05060	3.0
197.11835	4.6
199.03931	2.1
201.11302	0.9
215.03470	0.8
227.03424	2.1
241.10759	0.9
242.02312	1.7
243.02963	12.6
244.03484	1.0
254.02039	1.0
255.02939	9.0
256.03485	0.8
257.04514	1.8
259.06192	0.7
270.01599	1.9
271.02441	24.0
272.03049	3.3
285.03986	2.6
286.04892	0.8
287.05527	0.8
299.01913	18.1
300.02704	26.6
301.03186	1.7
314.04285	14.1
315.05072	54.6
316.05383	2.8
331.06619	2.0
361.18594	0.8
463.10724	1.6
473.12711	1.5
523.23901	3.5
638.64783	1.7
639.15594	100.0
639.24823	7.8
640.15900	13.9
640.24866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.156
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
56.92585	0.2
61.29974	0.2
63.02398	0.3
65.00295	1.1
87.33640	0.2
89.00320	0.5
93.03467	0.4
97.02962	0.5
98.20673	0.6
108.02193	0.2
109.02959	1.6
121.02951	2.9
124.01618	0.2
133.02971	0.4
138.01445	0.2
139.04044	0.4
143.88977	0.2
148.01715	0.2
149.02477	0.4
149.99606	0.5
151.00401	1.0
155.38893	0.2
163.00346	0.6
163.04007	0.6
165.01918	12.8
166.02269	0.5
171.04448	0.4
175.04022	0.3
183.02963	0.4
186.67288	0.2
190.02716	0.3
190.99881	0.3
191.03485	0.4
193.01366	2.4
198.03223	0.2
199.03966	1.6
201.01907	0.5
203.03673	0.3
215.03487	0.9
226.02750	0.6
227.03511	2.6
228.04114	0.4
228.97906	0.3
229.01343	0.3
242.02174	0.5
243.02957	3.9
254.02155	1.3
255.03012	1.4
256.03494	0.3
259.06033	0.4
261.45291	0.2
269.04526	2.0
270.01736	0.9
270.04529	0.5
271.02444	52.7
272.02808	2.7
285.04001	2.5
286.04620	0.5
287.05618	1.0
297.04034	0.6
299.01935	85.9
300.02475	10.1
313.03351	0.5
314.04288	81.0
315.04987	32.8
315.08847	0.6
316.05432	2.0
339.05099	0.3
348.21356	0.2
357.06110	1.4
392.72055	0.2
477.10364	0.3
520.17651	0.3
639.15594	100.0
640.15906	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	637.3715
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
61.98824	2.8
62.96381	0.8
70.65085	1.4
78.26730	0.6
78.95898	100.0
83.05008	1.4
84.91396	0.6
96.96951	7.2
118.00873	0.6
125.09606	0.7
127.11317	0.6
134.98509	1.3
152.99570	55.4
153.42564	0.7
163.11263	1.5
165.09145	0.8
165.12756	0.7
171.10269	1.9
172.10611	1.3
199.50363	0.6
201.11314	12.3
209.09909	1.3
209.11812	20.6
210.12184	0.9
227.12762	1.4
255.23268	78.9
256.23630	5.5
273.49350	0.7
363.12024	4.6
377.41309	0.7
381.13193	6.0
391.22464	12.2
392.23001	1.5
400.14618	0.7
401.14709	0.8
403.56314	0.7
409.23615	5.7
426.49487	0.7
448.76239	0.7
593.34857	3.3
619.36066	30.4
619.46252	1.5
620.36511	4.5
627.85876	0.8
637.37134	63.6
638.37366	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	637.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59069	0.5
59.01376	100.0
60.01721	1.0
61.98827	1.6
71.01386	4.0
73.02969	0.5
78.45792	0.6
80.40986	0.7
80.96543	0.7
82.68936	0.5
83.01382	0.9
83.76567	0.6
85.02956	2.3
87.49538	0.6
95.01420	0.5
95.70236	0.5
100.24165	0.5
101.02441	4.9
113.02469	2.3
114.08655	0.5
126.02586	0.5
133.01422	0.7
139.36473	0.6
161.04582	2.0
177.11885	0.5
227.46465	0.6
411.59875	0.6
555.28723	2.0
577.37427	34.4
578.37677	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	638.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42369	0.3
59.01114	0.4
59.01377	5.3
61.98818	1.5
62.96394	0.3
70.79108	0.3
70.79420	0.4
71.01375	5.5
71.05014	0.6
72.99284	0.7
78.95898	100.0
85.02932	0.4
88.04051	0.3
89.02441	0.5
93.03453	0.6
96.95983	1.0
96.96956	5.1
97.06576	0.4
101.02434	0.5
109.02948	0.6
110.02456	0.4
113.43992	0.3
115.00374	5.7
115.07637	4.6
116.92914	0.3
122.06117	0.7
123.06992	0.3
125.02430	0.4
133.01428	8.7
133.02933	1.3
134.03717	0.8
135.04504	3.4
136.28117	0.3
137.02455	0.6
138.01941	1.5
150.03204	0.2
152.99565	1.2
159.04514	0.4
161.02507	0.4
169.12306	1.6
171.00624	60.0
172.00974	0.7
174.03214	0.4
177.01915	1.0
178.02737	2.2
179.03476	3.4
183.13881	13.2
184.14249	0.5
185.11830	1.3
191.05585	2.3
197.15424	0.9
209.11790	1.0
211.13451	0.5
219.02827	0.4
227.12910	0.6
238.14479	0.6
239.16446	1.5
245.13902	2.2
252.16063	3.0
264.19641	0.6
271.02496	0.5
293.72717	0.3
299.01913	0.6
299.18600	14.7
300.19061	0.8
306.20676	0.9
307.21313	0.3
314.04190	0.4
324.21881	1.5
350.19772	1.2
353.22052	0.3
368.20596	2.3
422.29355	0.5
466.21799	0.6
466.28049	7.5
467.28604	0.6
639.15613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
71.01378	6.5
71.86359	0.2
72.99310	0.8
78.27534	0.2
89.02469	1.2
89.02972	0.2
91.05524	0.3
95.04984	0.2
99.59462	0.2
101.02487	0.3
105.03468	0.5
107.05021	0.5
107.63159	0.2
109.02911	0.3
115.00368	13.4
122.06107	0.3
133.01428	23.4
133.02905	5.0
134.01773	0.7
134.03761	1.7
135.04518	60.8
136.04842	2.1
147.04468	0.4
159.04482	0.3
160.77298	0.2
161.02501	0.3
161.04610	0.2
161.06169	0.2
177.01910	2.0
178.02792	0.2
179.03485	100.0
180.03813	3.6
210.84993	0.2
227.08255	0.4
241.09808	0.6
242.10324	0.3
251.86000	0.2
255.11348	0.2
269.08102	0.2
269.12845	0.9
271.02335	0.2
277.03494	0.3
295.04639	0.7
299.02005	0.2
303.13623	0.3
313.11691	0.2
314.04297	0.6
318.97223	0.2
322.03717	0.2
339.07086	1.0
341.08646	1.6
357.09998	0.2
519.11206	0.9
555.14392	0.4
575.25952	0.7
617.25922	1.6
635.12469	0.5
635.27112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84795	0.3
62.50787	0.3
71.01378	7.0
71.19537	0.5
72.99297	1.0
81.64494	0.3
86.22833	0.3
87.00853	0.4
89.02439	1.3
91.73895	0.3
94.57841	0.3
107.04984	0.4
115.00368	24.9
133.01424	100.0
134.01759	2.0
134.03757	1.4
135.04515	21.1
136.04846	1.1
152.11520	0.3
175.12578	0.3
176.14186	0.3
177.01910	0.5
179.03496	26.2
180.03888	1.4
237.19611	0.3
295.04578	7.9
296.04913	0.6
505.77621	0.4
570.63788	0.3
644.92194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46458	0.5
52.77567	0.5
53.05200	0.5
59.01386	1.4
63.02406	0.9
71.01379	12.4
71.47578	1.1
72.99310	0.7
77.03979	1.5
77.26585	0.5
85.02971	0.8
89.02439	1.5
89.03967	0.9
93.03422	0.6
95.05027	3.4
96.96012	3.5
101.02431	1.0
105.03458	17.2
107.05048	0.9
109.02960	1.9
113.02423	0.7
114.40398	0.6
115.00365	14.1
121.02946	0.8
123.04510	4.7
128.03496	0.6
132.02177	0.7
133.01460	25.1
133.02956	97.2
134.03365	2.8
135.04523	100.0
136.04863	3.3
137.02403	1.8
143.04994	0.8
145.02937	2.0
147.04514	1.3
149.02386	0.8
151.03983	4.9
159.04507	1.4
161.02432	1.9
161.04617	0.5
161.06064	1.2
169.06560	2.2
171.04507	0.6
177.01921	78.5
178.02412	4.2
179.03491	69.2
180.03845	3.3
185.06061	0.6
187.03981	1.0
191.05528	0.7
213.05600	2.8
215.03445	0.7
224.04831	0.6
229.05078	1.0
235.06131	0.6
241.05014	4.5
249.07980	0.7
254.05817	0.6
257.04608	2.6
269.08105	4.2
277.03455	1.3
285.04004	22.4
286.04395	1.5
293.02997	6.0
294.03635	1.3
295.04846	0.7
313.07150	4.0
341.08734	20.3
342.08847	1.3
357.06161	2.5
358.06180	0.6
447.09280	10.5
448.09299	1.3
475.12338	1.9
519.11420	5.5
563.10730	0.6
635.12494	1.6
647.44745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
63.02387	0.8
69.75099	2.0
71.01380	9.0
72.99314	0.6
77.03971	1.9
87.00859	0.3
89.02438	0.9
89.03965	1.0
93.03429	0.5
95.05009	3.8
96.96008	0.7
97.10948	0.3
98.20683	0.5
101.02425	0.9
105.03453	16.4
106.03745	0.4
107.05000	0.6
109.02950	1.3
115.00362	12.1
115.01166	0.7
117.03451	0.4
119.05007	3.5
121.02943	1.1
123.04504	3.3
132.02203	0.8
133.01462	21.3
133.02951	90.3
134.03687	4.8
135.04520	100.0
136.04868	3.1
137.02449	2.2
143.73677	0.4
145.02985	0.9
147.04549	0.7
149.02483	0.4
149.06110	0.5
151.04005	3.8
159.04500	0.9
161.02432	1.2
161.04579	0.4
161.06029	0.6
163.04044	1.6
169.06592	1.1
177.01927	67.4
178.02484	4.0
179.03491	54.6
180.03883	2.2
187.04024	0.6
193.05054	5.2
205.05070	0.8
213.05566	1.5
229.05077	0.9
234.85248	0.4
235.06117	1.3
241.05023	3.0
251.06932	0.4
257.04529	1.3
269.08200	3.4
277.03571	1.6
285.04019	8.3
286.04294	0.6
293.03027	3.7
294.03720	0.4
295.04694	0.5
295.08582	0.7
297.09763	1.0
313.07172	2.9
325.09448	0.8
335.63831	0.4
341.08746	22.4
342.09122	1.7
355.62659	0.4
357.06064	1.8
431.13513	0.5
447.09088	3.5
448.09558	0.5
475.12332	1.9
519.11310	5.1
520.12177	0.7
635.12604	0.8
635.22943	0.5
636.12842	0.4
656.15442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35132	1.6
55.01871	5.6
57.03434	4.9
58.00592	2.3
59.01378	100.0
61.98822	8.2
68.99535	1.7
69.03471	2.8
70.74017	4.5
71.01377	72.3
72.99313	6.1
73.02942	20.2
81.03443	2.9
83.01384	13.5
85.02948	25.9
87.00871	6.8
88.98834	1.9
89.02437	13.0
93.03468	3.1
95.01374	5.0
95.05031	10.4
96.96014	5.6
97.02951	5.1
99.00884	8.0
99.04526	3.1
101.02441	34.6
111.00883	3.9
113.02445	28.4
115.00365	30.0
115.04023	2.8
116.00706	2.1
119.03490	4.4
120.64960	1.9
123.49290	1.5
125.02444	34.9
133.00458	3.7
133.01430	45.2
133.02936	2.6
134.03745	1.9
135.04501	9.4
143.03474	7.2
143.04480	2.1
145.01425	5.2
150.04254	1.9
155.10739	2.7
157.12338	7.9
158.20944	1.8
159.03114	2.0
161.04587	9.2
171.10236	1.7
175.03964	2.2
179.03490	5.8
179.05690	2.7
185.11847	2.6
187.02493	15.4
187.04005	3.1
187.13391	38.0
209.11798	7.3
211.13412	2.0
219.03093	2.2
227.12877	2.4
233.15129	2.0
236.11661	1.6
251.16516	2.6
319.17609	33.2
361.18536	2.2
365.19611	8.1
383.20526	3.7
449.20197	2.1
463.21817	58.1
464.21960	5.9
481.22882	41.0
482.23401	3.6
505.22806	5.6
509.23718	4.3
515.28528	21.5
516.28894	2.9
523.23914	7.4
527.24768	7.3
528.24884	2.5
551.21295	1.9
569.25946	3.0
571.31586	9.2
589.32288	7.7
631.27295	3.7
632.27039	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	628.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48324	0.4
58.06888	0.3
59.01378	28.7
60.90874	0.3
61.98828	100.0
71.01374	3.1
71.52477	0.5
73.02934	0.5
78.95911	1.6
83.01407	0.6
83.05024	0.6
85.02964	1.3
89.02441	0.5
96.96973	0.4
101.02439	2.0
113.02470	1.0
115.00388	0.6
125.02410	0.3
133.01431	0.9
135.04500	0.7
152.99594	1.6
161.04535	0.6
171.10254	0.4
178.02742	0.4
179.03467	0.4
181.08739	1.5
183.10257	1.0
191.05695	0.5
200.13744	0.4
209.11813	2.2
210.12213	0.5
211.13409	3.7
212.13713	0.4
227.12843	0.5
241.01178	0.4
253.09416	0.8
311.22318	0.6
312.22778	0.6
317.21286	1.2
461.25504	2.7
479.26385	3.2
521.27771	2.2
628.28247	4.8
629.28607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01375	1.6
61.98839	3.6
64.24319	0.6
69.03442	1.9
70.04393	2.1
70.04758	1.0
71.01385	2.1
72.99317	1.4
73.02927	0.5
80.96489	0.6
83.01368	0.6
83.24419	0.6
85.02950	0.8
85.39307	0.5
87.00869	0.8
88.98800	4.0
89.02449	0.9
95.01388	2.3
96.95994	2.7
97.02941	0.9
107.01373	0.7
109.79492	0.7
115.00362	2.0
123.00888	10.7
124.00748	1.3
124.01662	26.7
125.02461	19.2
133.01445	2.6
135.04510	1.6
137.02478	1.0
139.11290	0.8
149.99582	39.8
151.00179	2.0
151.04005	0.8
167.03525	1.6
168.00635	89.7
169.01387	5.5
179.03490	2.3
183.10274	0.7
186.90112	0.5
191.03476	0.8
195.13928	0.8
239.12848	1.5
244.87083	0.5
313.05594	0.8
331.06747	3.3
445.09946	0.8
629.20856	100.0
630.21320	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	628.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.9
60.01707	0.3
61.98825	100.0
62.44047	0.2
69.60645	1.2
71.01376	2.4
73.02930	0.5
78.95890	0.3
80.24421	0.2
83.01368	0.3
85.02943	1.1
87.00818	0.2
96.96039	0.3
99.00859	0.4
99.60027	0.2
101.01863	0.2
101.02437	1.4
102.61374	0.2
110.12161	0.2
113.02379	0.8
115.00356	0.5
133.01343	0.5
135.04456	0.3
152.99532	0.3
161.04402	0.4
177.01753	0.3
178.02507	0.2
179.03252	0.2
181.08688	1.0
182.08838	0.3
183.10011	0.8
191.05455	0.4
191.07057	0.2
209.11807	2.1
210.11862	0.4
211.13084	0.7
253.08920	0.3
317.20459	0.7
317.23737	0.2
374.83990	0.2
397.86960	0.2
461.23993	1.2
479.24936	2.7
480.25058	0.4
521.25714	1.5
522.26819	0.3
604.94781	0.2
628.26050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.4
61.98808	1.9
65.03963	2.0
67.01884	1.3
71.01379	7.1
71.51145	0.9
74.02478	1.5
89.02428	1.0
91.01891	27.9
92.70344	0.6
93.03436	0.7
96.95995	0.9
107.04980	0.8
108.02163	1.6
109.02949	29.1
114.00303	0.7
115.00362	4.1
121.02942	1.3
123.04529	1.2
128.03554	1.1
133.01434	4.6
133.02943	4.3
135.00877	100.0
135.04475	1.7
136.01250	2.8
137.02446	3.0
139.07620	1.0
149.02437	2.3
149.99535	0.7
153.01927	99.6
154.02284	3.1
161.02432	1.7
164.07011	0.8
175.02654	0.8
175.04019	3.0
177.01941	6.4
179.03479	1.9
191.05630	2.3
197.04515	1.5
197.06090	1.0
209.11923	0.9
210.08929	0.9
225.01949	1.3
225.05661	1.0
232.29297	0.7
243.06592	8.6
245.09286	1.1
247.05408	1.5
267.06650	1.0
272.08936	0.9
277.03561	1.0
297.06131	70.2
298.06375	3.6
335.03217	1.4
337.05679	1.2
372.50195	0.8
405.11862	82.9
406.12082	6.7
417.14465	1.0
628.25757	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
58.00602	0.6
59.01377	19.7
61.98829	2.7
62.63829	0.5
69.66894	2.7
71.01380	6.7
73.02941	3.1
75.00835	0.5
79.95744	0.6
80.96516	2.0
81.03413	0.4
82.96048	0.5
83.01391	2.9
83.04997	1.1
85.02940	3.0
87.00856	0.9
87.04523	0.6
89.02441	1.0
93.03442	1.1
95.04993	0.8
97.06573	1.2
101.02443	4.3
103.48855	0.5
107.05012	0.6
108.02181	0.6
109.02907	0.5
109.06557	1.1
111.08126	0.5
113.02444	2.0
115.00360	1.4
119.05070	0.8
121.06568	5.3
123.04521	0.7
123.08191	1.2
125.02410	1.4
125.06052	0.6
131.08653	1.1
133.01396	2.2
133.02905	1.6
133.06598	1.0
135.04497	2.9
135.08156	1.7
137.09737	0.6
139.07668	0.6
139.11284	10.3
140.11676	0.6
144.05812	7.4
145.06152	0.5
147.08182	0.6
149.09715	4.8
151.07635	2.0
152.99615	0.4
159.08145	5.2
161.04622	0.8
161.06058	1.7
161.09680	1.1
163.07639	1.6
163.11273	0.6
165.09175	1.3
169.12297	2.0
173.00978	0.9
175.07608	0.6
175.11288	1.1
177.01950	1.5
177.09196	24.7
178.09593	1.3
179.03523	0.8
179.10730	3.0
181.08670	1.7
181.12360	4.5
183.10239	12.2
184.10562	0.8
187.07547	0.7
188.08406	2.3
191.05602	10.3
191.07191	0.9
191.10732	1.3
193.12386	0.6
197.11781	0.8
199.13412	1.3
203.10764	4.6
205.08649	2.4
206.09415	0.9
209.11722	3.1
221.11809	10.6
225.00607	0.5
225.11305	7.6
239.12881	1.8
243.12321	3.1
249.11285	0.8
275.09271	1.0
285.13730	0.6
291.12439	0.7
384.45346	0.5
387.16592	1.0
391.11920	0.6
405.22662	0.5
438.38330	0.6
506.90500	0.5
546.02356	0.5
609.29071	3.0
627.30157	100.0
628.30585	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	625.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.59976	0.4
57.03447	0.6
58.00596	1.2
59.01377	18.1
61.98817	3.0
69.03465	0.5
69.42591	2.9
71.01376	14.9
72.99294	1.9
73.02943	2.5
80.02666	1.7
81.03446	1.8
83.01387	1.9
83.05031	5.2
84.02149	1.6
85.02937	2.7
87.00887	2.8
87.20596	0.4
89.02441	12.4
93.03441	0.8
95.01376	0.8
95.05037	1.2
96.96019	2.7
97.02943	2.4
99.00894	1.0
101.02438	10.8
113.02444	6.5
115.00338	2.3
119.03503	4.3
119.05019	0.5
121.02943	0.4
123.04553	0.5
125.02454	4.7
125.06104	0.9
133.01421	3.1
133.02910	0.7
135.04503	7.3
135.08104	0.7
137.02441	0.5
139.03981	0.6
143.03503	2.1
161.02417	0.5
161.04527	2.9
163.11298	5.2
165.12813	2.8
177.01866	0.5
178.02689	0.5
179.03496	7.3
179.05551	3.1
180.03806	0.5
181.12329	1.2
186.00882	0.4
191.05635	0.7
191.10764	1.2
193.05002	0.8
194.05814	0.7
199.13216	0.5
209.08305	3.1
209.11803	100.0
210.12143	5.4
221.04521	0.5
221.06673	1.2
227.12868	20.8
228.13229	1.0
235.08220	5.0
245.06703	0.5
253.09222	1.5
255.02936	0.6
255.06715	0.4
263.07843	0.7
271.02399	1.2
277.09207	0.7
287.07672	1.1
300.02695	2.4
301.03525	0.8
305.08768	1.5
323.09955	0.7
341.08505	0.4
347.24039	0.5
373.84854	0.5
397.13477	33.4
398.13858	2.1
415.14539	19.8
416.14636	1.2
424.02518	0.5
455.11783	1.7
473.12903	1.6
509.29681	4.5
510.30231	0.5
625.14758	2.7
625.23914	2.5
626.14209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03434	0.6
58.00586	0.3
59.01376	15.3
69.03453	0.9
69.22145	2.6
69.70771	0.3
71.01379	14.5
71.05027	0.3
72.99302	1.2
73.02944	2.2
75.00875	0.3
77.95554	0.3
80.02666	1.8
81.03452	1.7
83.01389	1.7
83.05021	6.1
84.02151	1.5
85.02944	3.1
87.00848	2.3
89.02440	14.0
90.11961	0.3
91.03986	0.5
93.03452	0.5
95.01393	0.9
95.05011	0.8
96.96007	0.3
97.02932	2.2
99.00877	1.1
101.02438	11.5
109.02935	0.3
111.00882	0.4
111.08140	0.3
112.04066	0.5
113.02444	4.9
115.00415	1.4
115.04025	0.4
119.03496	3.9
119.05019	1.4
121.02925	0.4
123.00880	0.3
123.04502	0.3
125.02435	4.4
125.06079	0.6
131.03551	0.7
133.01457	2.0
133.02928	0.7
133.05040	0.4
135.04510	3.0
135.08179	0.8
139.03999	0.5
143.03508	2.4
147.11908	0.4
149.04539	0.4
161.02411	0.4
161.04532	3.0
162.74905	0.3
163.04030	0.8
163.11285	5.0
165.12822	3.1
167.03421	0.4
173.08145	1.0
173.09589	0.3
177.01967	0.4
179.03485	5.2
179.05585	3.0
181.12308	0.5
185.04605	0.4
190.27330	0.3
191.05574	0.6
191.10779	1.3
199.13512	0.4
203.03485	0.2
209.11813	100.0
210.12155	5.0
210.14014	0.4
221.06660	1.1
227.12883	18.8
228.13264	1.2
235.08224	4.2
253.09238	1.1
255.03049	0.5
263.07742	0.5
271.02649	1.4
277.09381	0.4
287.07748	1.1
300.02771	2.0
301.03406	0.6
305.08832	1.5
323.09735	0.5
393.15070	0.3
397.13474	33.6
398.13672	2.3
403.13895	1.2
415.14542	18.7
416.14810	1.0
454.76309	0.3
457.13330	0.6
458.13892	1.0
625.14142	1.5
625.27112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43941	0.6
55.49450	0.6
58.00586	0.9
58.68788	0.5
59.01377	17.4
61.70557	0.6
65.71046	0.5
65.86411	0.5
66.06396	0.5
69.36403	3.8
71.01379	26.5
72.99311	2.5
73.02962	2.0
74.02477	0.6
77.03967	2.5
80.02688	1.7
80.05035	0.6
81.03464	1.9
82.66739	0.5
83.01399	2.3
83.05025	6.6
84.02175	1.3
85.02924	3.5
87.00858	3.1
89.02444	14.8
89.03980	1.2
93.03436	1.0
95.01392	0.7
95.05028	5.6
96.96011	0.9
97.02955	2.4
99.00853	0.9
101.02435	12.1
105.03450	16.0
113.02465	5.9
115.00346	7.8
119.03503	4.3
119.05002	1.2
121.02972	1.6
123.00897	0.8
123.04513	0.9
125.02451	5.4
131.03488	0.6
132.02136	0.8
133.02950	95.7
134.03194	3.1
135.04514	51.5
136.04814	2.8
137.02451	0.6
139.00385	1.0
139.04051	0.8
141.01985	0.8
143.03508	2.9
151.00330	0.7
151.03978	0.9
153.01921	2.2
161.04549	3.9
163.04024	0.9
163.11278	4.6
165.12791	3.4
167.03432	1.1
168.04274	1.6
177.01921	92.7
178.02286	4.0
179.03488	69.7
180.03784	3.3
191.10736	0.8
199.13368	1.9
209.11806	100.0
210.12088	5.4
221.06616	1.1
227.12872	25.4
228.13162	1.7
235.08252	4.8
245.09267	1.5
253.09325	2.3
255.02985	1.6
271.02448	3.6
287.07703	1.3
291.17282	0.7
300.02765	5.5
301.03415	1.8
305.08582	1.0
328.09549	0.9
331.10300	3.3
335.16125	0.8
343.11813	1.4
379.12381	0.6
397.13470	34.9
398.13803	3.4
403.14075	5.0
404.14438	1.1
415.14554	21.9
416.14658	1.5
420.77615	0.7
447.11432	1.0
509.12595	1.2
615.77332	0.6
625.14056	5.8
625.26300	3.9
626.14319	1.0
626.26880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17567	0.8
58.62600	0.8
59.01368	0.9
61.98817	1.9
69.37759	7.0
71.01374	6.4
73.02943	1.3
85.02951	3.5
85.76604	1.0
92.14229	0.9
92.54871	0.9
93.03460	2.9
96.96003	2.3
99.00875	1.5
101.02454	3.1
101.03957	6.4
102.56555	0.9
113.02446	2.7
115.00343	2.6
117.03439	2.4
119.05021	100.0
120.05367	3.3
121.73058	0.9
128.03528	2.4
133.01405	2.6
133.02914	0.9
135.04550	2.0
137.02480	4.7
159.03078	1.3
161.04559	9.0
163.03954	1.2
177.01904	1.1
179.03447	1.2
209.11758	1.8
209.99716	1.1
325.09244	19.8
326.09656	1.9
346.68454	1.1
454.35245	1.0
625.27582	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36412	0.4
55.98351	0.4
59.01380	4.7
61.98819	0.7
64.18568	0.4
66.97282	0.4
68.85201	0.4
69.50018	2.7
71.01376	17.4
72.99309	1.2
73.02952	0.7
74.02483	0.8
77.03970	2.8
81.03522	0.4
83.01402	0.4
83.05028	1.8
85.02963	1.2
87.00846	0.8
89.02431	3.6
89.03967	1.6
93.03448	1.0
95.05020	4.7
97.02956	0.5
98.20725	0.7
101.02448	2.8
101.79374	0.4
105.03454	17.4
107.05058	0.6
113.02457	1.5
115.00364	8.1
119.03484	0.9
121.02966	0.9
123.04510	1.8
125.02460	0.9
133.02950	100.0
134.03342	2.7
135.04514	60.7
136.04854	1.8
137.02441	0.6
137.99666	0.5
139.00391	0.4
143.03514	0.6
149.02489	0.4
151.00365	0.5
151.03976	0.8
152.01183	0.6
153.01921	1.4
154.02649	0.5
160.59891	0.5
161.02466	0.6
161.04507	0.9
163.11182	0.5
165.12845	1.1
167.03516	0.7
168.04297	1.2
169.05042	0.6
177.01915	92.1
178.02261	3.6
179.03487	82.2
180.03835	3.6
191.05525	0.7
191.10738	0.5
199.13394	0.6
203.08308	0.6
209.11804	27.1
210.12103	0.7
227.12880	6.3
235.08148	1.5
245.09340	2.8
255.02971	0.7
271.02502	0.9
300.02637	1.9
301.03671	0.6
331.10178	2.4
341.08939	0.5
343.11780	0.7
397.13474	9.4
403.13849	1.9
415.14505	4.9
447.11594	0.9
509.12872	1.7
625.14166	1.6
625.27313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22149	0.2
59.68517	0.2
63.02397	0.9
65.00314	1.6
67.15356	0.2
71.70509	0.2
80.96201	0.2
83.01395	1.0
93.03468	0.2
105.03483	0.2
107.01385	3.8
108.02155	1.5
109.02935	0.9
115.00351	0.3
121.02947	1.5
123.00927	0.2
124.01681	0.2
125.02419	0.5
133.01456	0.3
133.02942	1.0
135.00844	1.3
135.04512	1.1
139.04021	0.3
148.01649	1.7
149.02437	0.3
151.00363	12.1
152.00743	0.4
159.04544	0.4
161.02448	0.4
163.00380	2.4
163.04135	0.3
164.01126	0.5
169.01404	0.6
175.03867	0.2
177.01872	0.9
178.99854	6.7
179.03410	1.3
183.04521	0.4
187.03952	0.4
189.01875	0.3
190.02687	0.3
190.99825	0.4
191.03470	0.2
192.00597	0.4
193.01379	0.3
198.03149	0.3
199.04022	1.1
200.04782	0.2
201.02039	0.2
201.05585	0.4
203.03535	0.6
209.11858	0.2
211.03990	0.6
213.01912	0.4
215.03468	0.8
216.04305	0.6
217.04851	0.2
226.02667	1.9
227.03468	3.2
227.12769	0.3
228.03999	0.3
229.05011	0.7
243.02951	11.1
244.03435	1.2
245.04411	1.1
254.02180	2.5
255.02963	28.6
256.03342	2.2
261.11005	0.2
271.02448	61.3
272.02893	5.2
273.03879	0.9
283.02451	0.9
297.04114	0.3
299.01956	1.6
300.02716	100.0
301.03421	32.6
302.03796	1.8
313.03482	0.4
343.04504	1.0
368.01047	0.2
463.09628	0.3
526.77338	0.2
625.14032	95.9
626.14386	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	623.1614
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
55.01860	0.5
57.03447	0.7
59.01384	3.5
61.98825	0.9
69.03455	0.5
71.01394	6.2
72.99289	1.4
73.02950	1.7
85.02951	3.1
87.00883	1.1
89.02454	2.1
93.03471	0.8
94.18362	0.5
95.01414	0.9
97.02956	0.9
98.20678	1.2
99.00881	2.7
101.02448	2.4
107.05043	0.8
108.02171	51.6
109.02368	0.9
109.02981	10.5
113.02450	2.4
115.00376	1.3
117.03503	1.7
121.02946	1.4
123.00858	0.6
125.02438	1.3
126.90412	3.0
130.48073	0.5
132.02217	0.7
133.01395	1.1
133.02934	1.2
134.03740	26.0
135.04530	10.1
136.04907	0.9
137.02435	2.3
149.06107	2.0
151.00345	0.6
151.04012	1.7
152.01151	100.0
153.01913	5.2
160.01649	3.0
161.02438	5.3
161.04565	1.4
163.03972	4.4
163.11314	0.6
167.03535	0.7
175.03993	2.5
177.01921	1.0
178.02689	0.6
179.02005	0.3
179.03503	9.6
191.05659	0.7
193.05023	8.0
207.02985	1.5
207.10236	2.0
225.11253	4.5
229.71536	0.6
243.12311	0.7
295.51016	0.5
315.07147	0.9
429.04907	0.9
429.10333	13.1
430.10654	1.3
447.11401	31.6
448.11807	2.5
455.11536	0.7
461.12961	0.8
497.16690	0.6
507.28088	2.3
532.66187	0.5
623.16089	85.1
623.24731	3.7
624.16376	13.5
624.24738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01378	3.6
61.17255	0.3
61.98824	1.6
68.39274	0.3
69.03441	1.8
69.22389	1.2
69.22817	1.6
71.01373	3.1
71.05030	0.4
72.99303	20.9
73.02941	0.8
80.96481	0.5
83.01341	0.3
85.02981	1.5
85.03417	0.3
89.02444	0.9
90.06145	0.3
93.03461	0.7
95.01373	0.4
96.96051	0.4
97.02943	0.4
98.48629	0.3
99.00872	0.9
101.02445	1.3
111.06248	0.4
113.02435	4.4
115.00380	1.2
117.03452	1.4
119.05018	100.0
120.05354	2.9
121.02936	1.1
123.04541	0.4
131.03554	0.4
133.01407	1.9
133.06613	0.4
135.04510	0.6
135.11784	0.3
139.11270	2.2
145.02954	3.2
147.89786	0.4
161.04532	0.4
161.05983	0.3
162.03181	1.0
163.03996	62.2
164.04349	3.0
183.10219	2.4
205.04910	0.6
209.11809	0.4
219.06705	0.4
277.07166	1.5
283.02573	0.3
298.04688	0.5
299.05606	0.4
307.08234	1.1
307.48193	0.3
310.53027	0.3
325.09274	1.1
337.09113	0.4
403.09784	0.3
439.12387	21.5
439.53741	0.4
440.12546	1.6
457.13452	26.3
458.13809	2.3
497.72394	0.4
503.32114	3.3
521.32996	0.7
563.33826	0.9
579.24860	0.4
623.23401	26.4
623.34381	1.3
624.23810	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	623.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23302	0.4
58.76188	0.5
59.01389	2.5
61.98838	1.2
65.00335	1.1
70.99995	0.8
71.01382	3.0
72.99329	0.8
73.02959	0.6
75.23378	0.5
79.95753	0.6
80.96487	0.7
85.02959	1.0
87.00873	0.7
89.02460	1.1
96.96027	0.7
97.02932	0.6
101.02431	0.8
109.02957	1.1
113.02412	1.1
115.00368	2.3
119.05005	0.6
120.99723	0.8
121.02950	2.7
127.00388	1.8
128.00604	0.5
133.01421	2.8
135.04527	2.3
149.02426	0.7
162.96257	0.5
163.04015	1.2
165.01915	8.8
179.03456	1.4
191.05688	0.8
193.01456	2.0
199.04001	2.2
215.03429	0.8
226.02612	0.6
227.03468	2.8
228.04164	0.6
243.02968	4.0
254.02185	0.9
255.02997	3.7
269.04547	1.4
270.29041	0.5
271.02463	41.4
272.02783	3.2
283.02438	2.0
284.03171	0.6
285.03931	2.1
287.05453	1.0
298.04785	1.6
299.01953	73.5
300.02475	7.8
314.04300	67.3
315.05032	23.1
316.05350	1.7
357.06110	1.1
457.13394	0.9
623.16083	100.0
624.16406	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	623.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89192	0.2
59.01379	0.4
65.00347	0.5
69.67817	1.2
72.99297	0.6
76.70653	0.2
78.93489	0.2
82.00597	0.2
82.88818	0.2
85.02969	0.2
91.96227	0.2
93.03436	1.1
97.02991	0.4
98.19904	0.3
101.02425	0.4
102.49915	0.2
107.01416	0.2
110.00099	1.1
113.02472	0.4
117.03487	0.6
119.05015	2.9
119.32861	0.2
122.30206	0.2
124.48640	0.2
129.06912	0.2
133.01364	0.3
134.00098	0.6
135.04521	0.2
136.98746	0.3
147.64189	0.2
149.99615	0.3
151.00397	0.7
159.04482	0.6
161.04497	0.2
161.99608	0.4
163.00403	0.3
163.04001	1.7
165.01909	3.3
183.03087	0.3
183.04526	1.6
187.03993	0.3
193.01357	0.2
199.03993	0.2
200.04735	0.2
211.03961	2.4
212.04927	0.2
226.02740	0.3
227.03471	12.2
228.04074	1.9
239.03333	0.3
240.04295	0.5
241.04948	0.3
243.06645	1.3
255.02963	52.5
256.03561	6.0
269.04471	0.5
271.02661	0.5
271.06107	2.5
282.05292	0.2
283.02441	95.4
284.03125	21.9
285.03519	0.7
297.04025	0.5
298.04788	62.6
299.05533	53.4
300.05905	3.2
302.59509	0.3
314.04245	1.0
315.05029	0.6
330.54077	0.2
341.06769	2.0
371.07993	0.3
439.12283	0.3
457.13135	1.5
461.10574	0.5
536.11749	0.3
594.80743	0.3
623.16071	100.0
624.16400	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	621.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02652	0.4
51.01573	0.4
52.65840	0.4
53.44442	0.3
59.01363	0.6
65.51054	0.4
70.71364	1.0
70.71714	0.5
71.01379	10.1
72.99294	2.0
73.02927	0.7
77.01657	0.4
83.01361	0.5
85.02943	0.6
87.00836	0.5
88.98810	1.2
89.02443	1.3
93.03452	2.3
96.96022	1.1
101.02444	0.8
101.03954	1.0
107.05019	0.5
113.02368	0.7
115.00369	29.2
117.03458	0.8
119.05022	17.7
120.05361	0.8
133.01425	100.0
134.01761	1.7
134.03731	1.8
135.04520	21.3
136.04857	0.5
137.02431	5.5
161.04553	0.9
163.03963	0.7
179.03490	24.1
180.03802	1.0
184.76346	0.4
295.04572	3.5
299.07675	0.8
325.09247	4.4
397.20084	0.4
621.48975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94724	0.3
56.97477	0.3
61.98825	100.0
65.85105	0.3
73.01150	0.3
80.50531	0.3
88.66806	0.4
92.56595	0.3
108.95007	0.4
184.55173	0.3
210.46367	0.4
383.58859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.75626	0.6
71.42722	0.8
78.95876	0.7
82.63541	0.6
152.99638	0.7
226.92258	0.6
423.55994	0.8
620.37036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21946	0.7
59.01366	1.6
71.01379	15.9
71.51558	1.0
72.99298	2.4
79.54332	0.6
87.00859	1.4
89.02434	2.2
91.01910	1.2
93.03480	1.3
96.96014	1.8
102.42548	0.7
107.05036	1.3
108.02215	1.1
111.00880	0.9
115.00368	33.4
116.00652	0.9
119.05023	4.1
123.04498	7.4
133.01427	100.0
134.01753	2.0
134.03720	2.0
135.04517	23.7
135.05542	1.4
136.04846	1.3
147.04501	1.6
152.01170	1.4
163.04033	5.5
164.04356	0.8
165.00163	1.2
167.02017	1.6
167.03481	34.0
168.03864	1.5
170.72179	0.7
175.02486	0.7
177.01880	1.4
179.03496	24.3
180.03780	0.8
180.06639	3.4
186.05647	0.7
197.12944	2.2
211.00667	1.1
213.12914	0.7
215.13982	8.7
283.04578	4.5
295.04605	3.1
310.12695	3.1
328.74908	0.7
345.04160	0.7
505.09073	0.9
517.30829	0.7
522.62836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.5
60.01719	2.2
61.31412	1.5
61.98822	7.0
69.03459	1.8
71.01393	6.0
71.51807	1.8
71.61476	1.4
73.19328	1.6
75.26514	1.7
76.78879	2.2
86.87357	1.8
97.02959	12.6
115.00332	3.0
125.09692	2.4
133.01396	2.9
135.04549	1.9
137.09709	4.6
163.11301	3.1
165.12817	6.7
171.10254	5.4
178.02708	2.5
182.71346	1.5
193.16016	2.0
209.11804	5.4
211.13335	3.3
215.05702	2.0
223.13148	1.9
227.12828	3.7
247.20619	4.0
273.18561	2.9
291.19635	54.0
292.20050	2.6
309.20679	100.0
310.21033	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	616.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
61.98827	100.0
71.51744	1.1
78.95913	0.9
102.67186	0.5
152.99570	1.2
176.74612	0.5
201.11301	0.9
209.11830	1.6
255.23257	4.4
545.37061	0.6
580.65106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98543	0.2
63.01928	0.2
69.84165	0.5
69.84556	0.4
98.20634	0.2
123.08167	0.2
161.09712	0.3
167.41898	0.2
179.10854	0.7
197.11815	1.9
241.10786	0.2
255.23260	2.0
295.68942	0.2
299.80127	0.2
310.74936	0.2
315.14496	0.3
332.99777	0.2
553.37378	6.7
554.37488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1663
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
52.97769	0.3
58.11636	0.3
59.01365	1.3
61.98816	0.8
65.00045	0.3
71.01366	1.4
71.52132	0.5
75.21706	0.3
83.01389	1.2
85.02963	0.3
89.02444	0.5
93.03445	0.9
96.96018	0.4
101.02415	0.5
107.01384	1.0
113.02454	0.4
115.00359	0.9
117.03464	1.1
133.01407	1.0
133.03004	0.4
135.00934	0.3
135.04495	0.3
143.05009	0.5
151.00345	1.9
154.04269	0.8
155.04996	0.7
157.03119	0.3
159.04492	0.9
161.02460	0.3
163.00389	0.7
165.01875	0.4
167.05017	0.5
168.05696	0.3
169.06593	3.1
171.04523	0.9
173.02402	0.7
177.01973	0.3
183.04541	3.1
185.02386	0.3
185.06026	2.2
187.03975	2.1
189.05553	2.2
191.05556	0.6
195.04459	0.4
197.06064	0.4
198.03308	0.4
199.03983	1.0
201.11423	0.3
211.03951	2.7
212.04443	0.4
213.05531	3.8
214.02684	1.5
214.06029	0.3
215.03427	1.2
227.03467	6.0
228.03976	0.4
229.04959	1.7
239.03493	1.3
240.04303	0.5
241.05016	1.2
243.02962	1.7
255.02959	41.8
256.03464	3.2
257.04462	2.9
261.54947	0.3
267.03067	0.5
283.02448	85.9
284.03012	8.3
285.04013	100.0
286.04370	6.1
430.09000	17.5
431.09769	51.7
432.10101	4.6
454.90240	0.4
473.10889	3.6
474.10773	0.5
618.34015	0.5
619.16602	56.1
620.16907	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	614.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
69.66237	1.3
69.66639	0.8
75.93839	0.4
92.24564	0.3
179.10803	0.8
197.11778	3.3
241.10837	0.5
253.21793	0.5
315.14429	5.1
464.63467	0.4
551.35730	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	615.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98841	1.3
58.00557	1.5
59.01375	100.0
61.98801	4.1
69.82930	8.1
71.01378	53.9
72.99306	4.0
73.02940	47.1
75.50356	1.4
83.01367	14.7
85.02934	11.8
87.00887	3.7
89.02443	36.0
95.01358	2.5
96.95999	15.8
99.00848	2.5
101.02435	52.8
113.02444	31.1
115.00364	4.9
117.21098	1.6
119.03494	16.9
125.02414	3.6
131.03470	4.3
133.01411	7.3
135.04565	2.3
139.03938	1.7
143.03484	5.4
149.04575	7.0
161.04547	18.3
177.01897	2.4
178.02663	1.7
179.03467	1.3
179.04036	1.6
179.05565	14.5
181.08630	2.3
197.11752	3.5
209.11739	2.0
221.06602	3.4
225.11285	1.8
367.21048	2.3
499.28940	5.5
529.26770	2.7
615.14948	4.7
615.27136	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	616.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.98830	100.0
69.70906	4.0
71.83492	1.0
73.90150	1.0
78.95900	4.1
98.19933	1.2
122.74116	1.1
128.32976	0.9
138.40350	1.1
152.99532	6.8
198.55348	1.1
199.13388	2.0
209.11748	1.5
216.85077	1.2
225.11285	3.3
243.12378	1.8
317.16010	6.1
381.13339	2.3
498.40387	1.3
553.37439	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	613.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.2
58.00559	4.6
59.01114	6.6
59.01382	100.0
61.98818	15.2
71.01380	76.6
71.52398	6.7
72.99305	12.2
73.02943	16.9
74.65594	4.2
80.96542	4.7
81.59010	4.5
83.01357	6.1
85.02942	19.5
87.00846	4.5
88.31302	4.0
89.02448	16.6
96.96014	17.1
99.00864	6.2
99.04520	8.3
101.02432	28.6
109.06541	10.7
109.97836	3.9
111.00864	7.7
113.02439	20.4
115.00356	41.2
121.02916	4.4
125.02431	8.3
133.01430	39.7
134.27084	5.2
135.04579	8.1
137.02422	4.8
143.03577	4.9
157.36928	3.7
161.04562	4.9
162.80869	4.0
178.02682	5.6
179.03421	5.5
191.05522	5.6
209.11839	13.8
257.12933	16.5
283.86566	4.8
436.18726	7.7
497.27344	31.7
498.27588	6.0
512.08258	4.1
569.24066	8.1
613.22919	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33950	0.4
57.03439	0.9
59.01380	1.0
61.98825	2.7
67.06876	0.3
69.03450	2.6
71.01392	2.5
71.01730	0.4
71.05014	0.4
72.99302	1.3
73.02931	1.0
85.02942	1.6
87.00890	0.5
95.01378	0.8
96.95985	0.4
99.00874	0.6
101.02419	0.8
108.02168	47.8
109.02969	10.5
109.77990	0.4
113.02446	0.9
113.06090	0.5
115.00365	1.3
116.92825	0.5
121.02946	0.7
123.00905	0.5
123.04543	0.4
133.01416	1.8
133.02910	0.4
134.03676	0.5
135.04536	3.4
137.02386	0.5
139.11295	2.0
151.03984	1.4
152.01140	92.5
153.01918	6.6
161.02473	0.4
163.03995	3.9
177.01886	1.2
177.05424	0.3
179.03522	3.1
183.10242	1.8
199.25897	0.4
207.03012	0.6
297.06128	0.9
315.07129	1.3
429.10333	11.3
430.10733	0.7
447.11401	5.7
455.11639	0.5
470.68555	0.4
473.12930	1.3
497.16751	0.6
613.21320	100.0
614.21667	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	613.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
55.51911	3.1
56.63429	3.3
59.01377	100.0
61.98824	20.7
66.66271	2.5
67.01884	4.6
69.03454	44.7
70.46317	9.2
71.01379	53.4
72.99292	3.5
73.02579	4.4
73.02926	20.0
83.01384	12.8
84.28898	2.7
85.02943	18.7
87.00877	6.6
89.02446	4.3
96.96017	10.3
97.02976	6.9
99.00878	6.6
101.02434	25.3
111.00921	2.9
113.02442	18.3
115.00365	20.2
122.75602	3.2
125.02459	9.3
133.01410	23.6
133.02983	7.8
135.04549	4.6
137.02411	4.7
143.03500	4.0
161.04568	4.9
178.02702	6.9
183.10159	4.1
183.13860	15.4
209.11900	4.0
233.15378	7.1
251.16454	4.9
281.51923	3.2
315.18048	11.7
322.10284	3.2
348.06021	3.1
365.19595	10.3
383.20651	3.3
459.22430	31.6
477.23264	22.3
497.27478	8.4
501.88644	2.7
509.23709	8.5
519.24426	10.8
527.25476	6.1
569.25848	7.1
613.28467	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	613.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20178	0.2
51.02595	0.3
57.03429	0.3
59.01382	1.4
61.98830	3.8
63.66288	0.3
70.26161	1.1
71.01379	8.7
72.99302	0.6
81.03461	0.7
82.92604	0.2
85.02948	0.5
87.04498	1.0
89.02451	0.4
93.03445	0.5
96.95995	0.9
97.02954	0.5
101.02402	0.7
103.10918	0.3
108.02161	3.4
109.02945	75.0
110.03281	1.1
115.00364	10.6
121.02925	0.4
123.04585	0.4
127.07622	0.3
133.01422	5.7
135.04507	1.4
137.02435	0.4
137.09711	1.2
143.82193	0.3
152.01147	2.3
153.01926	100.0
154.02277	2.4
155.10776	5.5
155.33047	0.3
157.26460	0.3
159.04523	0.4
163.03955	0.4
178.36469	0.3
179.03470	1.3
179.10883	0.6
181.05086	0.5
181.08696	0.3
191.05573	0.6
195.10159	0.6
199.08020	0.5
199.09741	6.5
229.01526	0.3
232.87115	0.3
241.10777	1.6
263.03412	0.5
281.04883	0.3
283.09189	0.4
283.11832	3.0
339.08667	0.8
343.13937	10.8
344.14337	0.5
361.15015	0.8
497.16605	23.6
498.17072	2.2
533.16467	0.4
549.52142	0.3
609.28864	0.3
613.21454	3.8
614.21436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02757	0.7
71.01379	20.3
71.50700	0.8
72.99308	3.9
73.03890	0.8
87.00860	0.7
89.02443	1.7
93.05824	0.8
96.96037	1.4
107.05013	0.9
112.98553	0.8
115.00366	53.3
116.00673	1.1
117.03349	1.2
121.02956	1.5
133.01419	100.0
133.03026	2.5
134.01753	0.9
134.03726	17.0
135.04515	70.6
136.04819	2.4
136.98557	9.3
145.93181	0.9
148.24538	0.8
154.99583	8.7
161.02428	8.9
162.02885	0.8
175.02487	3.0
179.03481	69.8
180.03853	2.1
189.01700	11.5
201.01675	75.8
202.02014	3.1
219.01491	1.1
252.99738	1.3
271.00760	2.9
273.03900	10.1
289.01685	2.1
295.04663	4.5
317.02750	85.2
318.03204	4.4
335.03745	4.7
345.04572	1.8
381.05212	1.1
433.03625	2.7
451.04919	7.2
453.07144	0.9
497.06607	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75436	0.6
57.03431	1.0
59.01357	2.6
61.98824	5.3
64.00673	0.6
69.03469	1.1
71.01376	11.0
71.52283	0.8
72.99309	1.7
73.02935	0.9
75.00867	1.0
77.34800	0.7
79.95722	0.8
85.02947	3.1
87.00879	0.9
88.98790	1.5
89.02428	2.3
90.63977	0.7
95.01366	1.1
96.96005	22.6
99.00857	1.8
101.02429	2.2
108.02165	53.4
109.02960	18.1
109.84256	0.6
111.98474	0.7
113.02401	1.5
115.00379	7.3
116.92847	1.3
119.05009	0.8
121.02903	1.4
123.00883	0.9
123.04504	1.4
131.03499	0.6
133.01436	6.1
133.02927	1.0
134.03751	1.4
135.04514	5.8
136.04910	0.6
139.07631	3.5
142.55962	0.6
151.04021	1.8
152.01138	100.0
153.01926	9.5
161.04558	1.9
163.03998	4.8
165.05519	0.9
177.01942	2.2
177.80473	0.6
179.03481	5.3
191.05624	1.6
297.06061	0.8
315.07193	1.5
403.12366	0.8
406.19397	0.6
429.04791	1.3
429.10333	11.5
447.05103	1.6
447.11383	31.3
448.11868	2.7
473.13034	1.1
477.57101	0.7
497.05624	0.8
497.16751	2.4
569.18689	18.9
570.19257	1.8
581.64136	0.6
595.16949	2.3
613.17963	73.5
614.18365	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	611.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03435	2.1
57.84356	0.4
59.01377	12.8
61.98812	2.1
65.32922	0.4
67.01888	0.7
68.99807	1.2
69.03432	1.0
71.01377	19.7
71.51185	0.5
72.99304	3.8
73.02941	1.6
75.00866	8.5
83.01361	1.5
85.02944	12.5
87.00881	4.6
89.02428	4.2
93.03462	0.7
95.01374	3.1
96.95993	1.2
99.00874	6.3
101.02451	3.2
103.00363	0.8
108.02166	7.1
109.02950	2.3
111.00829	1.0
113.02444	12.5
114.21906	0.5
114.99717	0.4
115.00370	3.3
117.01894	1.5
119.03520	0.5
119.05042	0.6
121.02882	0.6
123.04516	0.5
125.02439	0.6
129.01912	1.1
133.01421	2.8
133.02899	0.5
135.04497	1.8
137.06041	0.9
149.02493	0.6
152.01141	13.6
153.01903	0.8
153.12811	0.7
163.04001	1.1
175.02441	1.0
178.02753	0.5
179.03403	1.6
179.05693	0.5
181.12306	0.7
191.05519	0.8
199.13376	8.1
205.07033	0.7
223.06033	0.8
231.04996	0.8
241.04787	0.6
249.06100	5.8
267.07285	2.4
343.17542	3.2
361.18649	16.1
362.18927	1.3
429.10236	2.9
447.11401	2.3
448.07928	0.7
449.14337	1.1
567.17041	1.4
586.20245	0.4
586.30511	0.5
593.24866	1.0
611.15796	10.8
611.25397	100.0
612.15692	1.6
612.25696	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	611.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61840	0.6
57.03445	1.1
59.01374	4.5
61.98804	1.9
68.57805	0.6
71.01363	3.2
73.02949	1.1
74.78961	0.7
74.86930	0.6
77.21469	0.6
78.95898	39.8
80.96488	0.6
81.23794	0.6
85.02909	0.8
88.98794	1.4
93.05683	0.7
96.96020	1.1
96.96958	8.2
103.95746	0.6
113.09714	1.8
115.00346	1.5
123.26147	0.6
133.01375	2.0
134.01791	0.6
151.09535	0.6
152.99573	46.1
153.99861	0.6
171.00638	1.7
171.10202	0.8
178.02692	0.7
195.13881	13.6
197.11752	0.8
209.11792	2.3
211.13560	0.7
223.00142	5.6
241.01149	16.2
242.55144	0.6
259.02332	1.5
267.20398	0.6
276.20596	0.6
277.21722	13.2
278.22110	0.8
295.22736	43.0
296.23148	3.0
313.43683	0.6
315.04816	5.7
333.06241	0.8
611.28284	100.0
612.28455	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	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03439	2.4
59.01374	87.8
61.98829	4.7
69.03430	1.0
71.01375	28.6
71.51095	1.0
72.99302	2.5
73.02947	6.0
78.95906	5.9
83.01389	2.1
85.02463	1.2
85.02941	16.0
86.00102	1.0
87.00887	2.3
89.02423	11.1
95.01375	4.4
99.00867	1.9
101.02430	13.8
111.00841	1.4
113.02433	19.8
115.00333	5.9
119.03481	2.5
125.02439	2.5
133.01431	7.3
135.04510	3.4
140.43538	0.9
143.03508	1.3
157.12334	2.3
161.04523	2.8
165.01846	1.2
171.00551	2.2
179.03502	1.2
187.13501	1.5
191.05576	3.5
201.14883	2.0
211.13365	6.5
243.06635	1.6
245.16112	1.0
299.01929	3.9
303.87680	1.1
314.04248	3.7
315.04956	3.4
331.24829	1.1
340.94846	1.2
361.29434	7.1
397.13370	3.8
415.14734	1.4
447.09207	2.4
493.30121	5.4
505.33780	100.0
506.34323	7.5
523.34857	26.7
524.35144	3.0
565.35901	15.5
566.36023	2.7
609.14520	4.1
610.29706	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	609.509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54300	2.1
54.22125	2.1
59.22437	2.0
68.54543	2.2
70.90405	2.2
71.51016	2.5
279.23254	100.0
280.23676	5.2
349.44965	2.3
369.54037	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32659	0.2
59.01384	0.4
61.23787	0.3
61.98817	0.3
65.00338	0.7
66.41037	0.3
69.68853	0.9
69.69261	0.5
71.01368	0.3
89.00345	0.3
89.02431	0.3
89.76807	0.3
97.02942	0.5
107.01398	0.4
109.02921	0.6
121.02955	2.0
133.02975	0.4
143.98570	0.3
151.00391	1.2
163.00299	0.5
165.01935	7.5
166.02327	0.4
171.04506	0.4
175.04024	0.3
183.04430	0.4
187.03850	0.3
193.01396	2.1
199.04031	2.0
201.01877	0.4
203.03519	0.3
213.78337	0.3
215.03494	1.0
226.02678	0.6
227.03482	2.2
228.04294	0.3
242.02161	0.6
243.02972	3.6
254.02277	0.8
255.02969	1.0
269.04575	1.5
270.01636	1.0
271.02454	47.7
272.02835	2.7
282.01801	0.4
285.03967	2.7
286.04669	0.3
287.05597	0.8
299.01947	84.5
300.02362	5.7
313.03406	0.6
314.04294	90.4
315.04947	17.2
316.05463	0.6
466.91327	0.3
477.10223	0.7
489.10446	0.9
505.33875	0.4
509.75339	0.3
609.14557	100.0
610.14886	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.08762	0.2
63.02390	0.7
65.00307	0.6
74.67004	0.2
79.54536	0.3
83.01402	0.6
87.71386	0.3
93.03423	0.8
94.03827	0.2
96.96019	0.3
98.19884	0.9
101.02424	0.8
107.01367	2.0
132.02162	1.0
133.01433	0.3
135.00877	1.0
137.02420	0.4
143.04980	0.6
145.01401	1.7
151.00354	3.6
153.01938	0.6
157.06529	0.3
159.04483	0.8
163.00330	1.7
164.01093	0.3
167.04979	0.3
168.72141	0.3
169.01474	0.3
169.06546	0.7
171.04454	0.4
178.99771	0.3
183.04454	0.8
185.02521	0.3
185.06053	1.5
187.04005	1.8
189.05571	0.4
195.04532	0.3
197.05986	0.3
199.04013	0.8
200.04799	0.4
201.05530	0.4
211.04012	2.0
212.04596	0.3
213.05540	1.2
215.03419	0.3
227.03479	34.9
228.03864	2.4
229.05034	5.6
230.05424	0.4
239.03433	1.3
240.04234	0.3
241.05048	1.2
243.03021	0.4
255.02963	64.2
256.03528	6.6
257.04529	4.4
267.02850	0.4
283.02533	0.7
284.03238	77.4
285.03979	45.0
286.04465	2.0
299.05493	0.3
327.05124	1.5
493.19241	0.6
609.14551	100.0
610.14874	11.1
610.25085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03434	3.2
59.01375	83.5
61.98817	1.1
63.56744	1.2
69.37363	5.0
69.37779	3.2
71.01377	34.5
72.99292	1.8
73.02941	7.4
76.63798	0.9
83.01365	3.0
85.02941	13.2
87.00867	1.6
89.02437	10.9
95.01405	3.7
99.00880	3.0
101.02438	12.6
113.02445	18.2
115.00366	5.2
119.03486	3.0
123.08145	1.5
125.02440	2.2
133.01421	5.5
135.04520	7.7
143.03510	3.1
161.04524	3.7
179.03499	2.3
187.13399	1.5
201.14954	1.7
255.02975	1.7
269.62170	1.1
283.02512	4.3
299.05280	1.7
341.26855	2.3
359.28070	9.1
418.60568	1.1
473.14389	3.5
491.27756	2.1
503.32233	100.0
504.32587	11.0
521.33246	32.0
522.33380	3.7
540.76337	2.1
541.45117	1.4
541.77338	1.3
545.33154	1.6
563.34351	11.5
564.34955	1.9
606.79181	1.3
607.16522	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60435	0.7
55.01884	4.8
57.03448	4.3
58.00597	2.5
58.40361	0.7
59.01378	100.0
60.01714	2.4
61.98839	2.4
69.03447	1.8
70.99796	1.5
71.01378	69.4
72.01734	2.8
72.68286	0.8
72.99312	3.4
73.02944	15.8
74.03282	0.9
81.03448	1.1
83.01382	10.2
85.02946	32.4
86.00113	1.1
86.03284	1.1
87.00874	7.4
89.02443	26.1
90.02847	0.9
90.50473	0.6
95.01382	7.9
97.02947	3.7
97.72969	0.6
99.00874	7.4
101.02441	44.6
102.02801	2.5
109.02945	0.7
111.00914	2.3
112.01739	0.9
113.02446	36.7
114.02800	3.1
115.00401	2.9
119.03493	6.2
121.01120	0.8
125.02471	4.5
129.01941	1.4
131.03571	1.6
133.01428	6.4
135.00919	2.3
135.04532	2.5
143.03499	6.8
144.03885	1.1
149.04575	1.5
153.02016	1.3
155.10762	1.8
157.12355	1.0
159.02991	3.4
161.04552	13.1
162.04927	1.2
179.03621	0.7
179.05634	1.2
201.15028	2.9
221.06595	1.1
230.15456	0.8
230.64369	0.7
339.07288	2.2
359.27942	6.4
378.21509	1.6
378.71796	3.2
379.21967	0.8
426.72723	1.1
459.24573	2.0
459.74289	5.8
460.24344	1.6
473.14230	1.2
485.31839	1.0
491.28946	1.8
503.32227	81.6
504.32687	10.0
521.33276	28.3
522.33777	2.5
525.26770	1.1
525.76471	6.5
526.26740	2.7
540.27081	2.9
540.76959	28.8
541.27039	11.6
541.77783	2.3
545.33496	2.4
563.34247	7.9
564.34747	1.3
595.38928	2.4
596.38885	3.3
606.78906	9.8
607.29254	6.1
607.79877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31374	0.4
58.91152	0.5
59.01373	0.8
61.98826	2.5
71.01381	11.2
71.51033	0.6
72.99312	1.6
89.02433	1.9
115.00366	29.4
133.01425	100.0
134.01770	1.9
134.03748	1.3
135.04518	20.3
136.04845	0.7
137.02420	0.6
179.03490	23.4
180.03876	1.1
180.06670	1.3
195.03098	0.8
209.11833	1.0
269.08234	0.6
292.80823	0.5
295.04623	4.8
310.12973	1.4
417.86856	0.6
590.01733	0.5
605.39368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2426
Annotation	Tiliasine
Peak:m/z	Relative Intensity
51.62057	0.5
52.46943	0.5
57.03436	0.5
59.01375	3.1
61.98829	68.7
63.96247	1.3
63.99250	0.6
71.01377	10.2
71.21855	0.7
72.99310	0.6
73.02927	1.3
78.95890	1.3
78.98592	5.6
79.95731	13.9
80.96516	56.3
81.03443	1.0
84.38864	0.5
85.02934	2.7
87.00866	1.9
89.02451	1.2
93.03479	0.5
94.95108	0.5
94.97493	0.9
94.98084	13.8
95.01373	0.7
96.96022	1.5
97.02943	1.6
101.02471	3.1
101.03017	0.6
103.03999	0.5
106.98068	3.5
108.59996	0.6
109.02924	0.6
115.00349	2.8
116.92820	0.6
122.97565	3.0
125.02423	2.9
127.03989	0.8
132.11372	0.6
133.01437	2.6
133.02971	1.1
134.97568	4.4
135.04552	1.0
136.99094	1.3
137.02449	0.8
148.99136	4.6
152.98605	5.7
152.99644	0.8
164.98598	10.5
167.00119	0.7
171.10214	0.6
177.01891	0.7
178.02657	1.5
179.03468	1.2
191.05367	0.6
206.99631	2.3
209.11792	1.7
211.13316	1.3
225.00728	14.7
291.19751	1.0
299.04416	3.1
309.20667	0.9
311.22040	1.2
534.28845	0.8
607.24268	100.0
608.24500	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	605.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33533	2.7
59.01377	45.0
60.62492	2.8
61.98828	20.9
71.01379	44.5
71.51376	2.4
71.51775	3.8
72.99310	4.7
74.69907	2.5
75.08289	2.5
80.96503	7.5
83.01342	2.3
85.02939	7.3
87.00835	4.8
89.02441	13.4
90.51180	2.7
94.98101	2.8
99.92576	6.8
101.02426	14.2
109.06528	3.8
111.08152	11.9
113.02438	6.8
115.00381	31.8
115.92049	4.7
116.92223	2.6
116.92877	24.6
119.03471	5.2
133.01418	41.6
133.02954	12.8
134.03703	8.0
135.04482	11.1
137.02469	4.8
161.04538	4.1
169.12329	4.5
171.10301	4.8
177.01912	10.3
178.02692	9.8
179.03413	5.4
187.07603	2.7
197.11815	52.8
199.13345	3.8
209.11801	6.2
211.13365	15.9
214.34242	2.9
253.09241	49.6
291.19678	28.6
309.20691	100.0
310.21060	6.5
356.14893	3.1
445.25656	9.2
561.32520	3.9
605.22772	12.7
605.32330	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05416	1.5
57.35053	1.6
60.99308	16.7
61.98832	2.1
69.77393	1.5
78.95897	4.2
82.00504	1.4
88.00391	5.7
88.98804	100.0
89.01877	2.0
89.02436	31.7
93.48724	1.4
96.96014	1.9
101.03980	3.2
117.03414	1.8
119.05016	32.2
120.05386	2.1
152.99536	3.3
163.03960	4.7
171.10236	4.3
237.15196	1.4
288.70258	1.5
295.22702	5.7
318.07257	1.7
603.32385	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14910	1.4
57.43707	1.6
59.01376	2.0
60.99306	18.1
61.98805	1.9
62.89177	1.4
67.32306	1.3
71.51630	1.9
72.93557	1.3
74.99735	1.6
85.81239	1.7
87.00883	2.3
88.00414	6.4
88.98801	100.0
89.02442	42.8
93.13606	1.4
107.27948	1.3
145.17229	1.5
161.02487	2.7
163.55334	1.5
277.21799	1.7
506.49490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16368	0.6
55.43933	0.6
69.66130	2.8
69.66528	1.6
71.01372	11.0
72.99325	1.6
88.11209	0.8
89.02394	0.7
114.99568	1.5
115.00367	29.3
119.05019	30.4
120.05313	1.3
128.38486	0.7
133.01419	100.0
134.01724	1.6
163.03989	31.2
164.04346	0.9
173.50056	0.9
175.26291	0.7
279.05008	4.0
325.09119	1.5
515.19623	0.8
554.76532	0.8
625.63879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.4
59.01381	20.7
60.15277	2.1
71.01370	30.5
71.17046	3.5
73.02981	2.8
74.77428	2.2
83.01369	6.8
85.02946	7.3
89.02438	20.0
96.96007	4.4
99.00866	28.2
101.02457	5.5
111.00887	10.9
112.98801	100.0
113.02428	3.7
115.00353	8.0
119.03526	8.1
124.06380	2.6
124.98801	3.1
129.01947	5.9
133.01427	11.3
135.04567	3.4
142.99843	45.6
145.01395	10.0
161.04547	5.6
162.55467	2.4
173.00891	75.5
174.01645	13.7
179.03535	2.7
179.04028	3.0
179.05591	21.8
189.05507	3.9
196.99167	2.5
203.08156	3.2
228.16122	2.3
327.72687	2.3
411.20587	3.1
531.19397	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09555	0.5
52.35497	0.5
54.00339	0.4
57.03432	0.5
59.01376	7.5
61.98829	7.1
71.01381	26.4
71.52362	0.8
72.01754	0.5
72.02152	1.5
72.99299	4.7
73.02932	1.4
79.95676	0.5
83.01392	0.8
85.02931	1.1
87.00885	1.0
89.02433	3.3
93.92518	0.5
96.96005	6.7
99.00857	0.6
101.02435	1.9
113.02440	1.1
114.93342	0.6
115.00366	55.3
116.00703	0.8
116.92882	0.6
119.03439	0.7
123.08182	1.1
127.05987	0.5
133.01422	100.0
134.01758	1.5
134.03755	0.6
135.00525	0.5
135.04530	2.0
135.83096	0.7
141.09210	1.8
145.47023	0.5
145.75337	0.5
159.04504	2.3
160.05276	2.0
164.77098	0.6
172.05263	7.6
173.06087	2.7
174.06860	1.9
177.01982	0.7
178.02710	0.8
179.03505	1.1
185.06091	1.9
186.06828	1.2
187.03979	2.3
187.07640	1.3
199.03957	0.9
204.04272	1.7
209.11871	1.3
211.13455	1.2
213.05603	1.2
225.11224	0.6
227.03487	2.0
228.13193	0.5
229.05051	1.1
239.14351	0.8
253.09174	0.8
254.05746	0.5
257.04599	0.8
257.15396	1.3
271.87460	0.5
283.13367	48.5
284.13791	2.3
285.14822	2.5
289.18097	1.1
297.14944	2.2
299.16510	1.8
301.14417	29.6
302.14774	2.3
303.15909	3.9
315.15973	2.9
355.25110	0.8
356.16049	1.1
371.15204	0.7
371.24521	1.2
407.22345	2.0
425.23059	3.4
443.24344	43.8
444.24655	4.6
451.21149	1.2
469.22269	27.8
470.22717	3.8
487.23355	1.4
487.29861	1.1
543.27924	0.7
559.31226	1.6
602.35724	1.5
603.36243	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	603.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21657	1.2
59.01357	1.4
61.98831	7.0
65.90286	0.9
69.33414	1.0
71.01379	25.0
71.43832	1.9
71.83598	0.9
72.57726	0.9
72.99290	1.4
95.05017	3.5
100.01933	0.9
105.03453	10.3
109.02203	1.0
109.02967	2.9
115.00372	24.6
115.94158	1.0
121.02929	1.9
123.04506	3.3
124.01576	1.7
133.01416	21.9
133.02943	64.2
134.03741	43.7
135.04520	88.4
136.01630	1.1
136.04855	1.5
137.02438	21.9
139.03987	5.0
149.02399	1.5
150.03244	1.9
153.05644	1.2
159.04529	1.8
161.06097	2.2
165.12767	1.4
177.00511	1.9
177.01932	22.3
178.02690	39.2
179.03484	31.4
181.12318	2.7
187.03976	1.4
187.07651	2.3
209.11880	2.0
211.13341	2.0
211.76082	1.0
215.65639	1.2
235.47691	1.3
247.20633	2.6
273.18457	1.4
281.21252	1.6
283.13232	1.4
289.18134	1.5
291.19650	25.3
292.19952	2.4
301.14587	1.8
305.16422	1.1
307.19125	23.0
308.19498	2.1
309.20679	100.0
310.20926	7.3
315.15759	1.5
327.15964	1.7
333.20612	2.0
345.17078	4.1
346.17722	1.4
370.53543	1.1
407.22461	2.1
425.23380	6.6
443.24341	88.7
444.24475	8.4
469.22211	3.1
487.16504	2.3
487.23337	30.6
488.23596	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	602.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79434	0.3
61.98828	100.0
71.19642	0.6
72.67986	0.3
75.87762	0.3
79.34477	0.3
95.31139	0.3
136.57390	0.3
152.27394	0.3
225.62016	0.4
395.94492	0.3
493.32721	0.4
586.41632	0.3
594.81213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05689	0.5
59.01372	1.5
61.98819	1.1
71.01382	1.7
71.51315	0.7
71.51720	0.7
71.71204	0.6
72.96940	0.6
73.02931	4.3
75.00852	1.8
78.95884	0.6
83.01442	0.6
99.00900	0.7
99.92577	13.5
116.92856	100.0
116.97224	1.9
117.01931	6.5
117.92867	4.4
118.78683	0.6
133.01440	0.8
141.29944	0.5
147.61362	0.7
161.11353	0.6
196.51071	0.7
487.32782	2.3
554.73901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
58.00583	1.1
59.01378	54.3
59.95576	0.4
60.18545	0.4
60.20502	0.4
61.98827	13.2
69.03449	1.3
69.33095	2.1
69.33506	1.5
71.01379	28.7
72.01713	0.8
72.99293	1.8
73.02943	31.4
80.34322	0.5
82.84403	0.5
83.01385	8.6
85.02952	3.7
87.00862	1.3
87.04501	0.5
89.02448	7.6
91.91795	0.4
95.01369	1.1
96.95966	0.7
99.00899	0.8
99.04449	0.5
101.02441	20.8
112.93744	0.6
113.02445	7.6
115.00356	4.9
119.03503	2.0
125.02447	1.2
131.03479	1.5
131.93056	0.5
133.01425	6.8
133.02925	1.1
135.04500	0.5
139.11325	0.6
143.03471	1.3
149.04530	0.6
152.08397	0.7
161.04585	2.9
177.01886	1.0
178.02612	1.3
179.03500	0.6
217.03360	0.6
274.25320	0.6
293.24796	2.1
335.22180	1.4
337.23779	2.2
369.22949	0.8
397.19907	0.7
403.12109	0.8
405.13788	0.6
435.23648	3.5
441.23032	1.0
453.24802	1.0
468.26477	0.5
495.25885	4.0
515.28491	1.0
557.29608	100.0
558.29974	10.2
575.12445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.7
59.01379	87.8
61.98829	100.0
71.01380	34.5
71.05009	1.7
71.52114	2.9
71.52488	1.8
72.99323	3.6
73.02937	15.2
74.02457	1.6
75.00881	1.6
79.95778	1.6
83.01370	5.3
85.02943	6.1
87.00874	4.3
89.02442	12.2
95.01354	2.6
96.95998	15.3
101.02441	20.2
113.02456	15.8
115.00372	11.4
116.92849	4.0
119.03500	4.7
121.80984	1.6
125.02414	4.3
131.03499	1.8
133.01443	15.5
133.02962	3.4
134.01695	1.4
135.04529	4.0
138.50928	1.5
143.03441	2.8
148.12820	1.3
149.04585	3.1
151.07639	13.6
152.08421	11.3
161.04478	8.3
178.02664	2.1
179.03487	3.0
188.53204	1.7
191.05534	6.0
209.11772	1.7
221.06743	2.2
291.19717	2.2
342.36127	1.6
435.23801	30.1
442.21649	3.4
453.24838	9.9
495.25940	26.9
496.26559	3.0
558.29761	3.6
603.29968	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	600.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18439	1.5
60.31149	1.5
61.98829	100.0
62.57291	1.5
71.14561	2.6
76.96474	1.6
81.90439	1.3
96.81624	1.4
171.10364	2.0
236.25641	1.7
375.07846	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67515	0.7
58.17027	0.6
61.98826	100.0
62.00764	0.7
62.98114	0.8
69.14482	6.4
73.30431	0.7
86.67902	0.8
418.33902	0.7
441.48245	0.8
597.80316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60281	0.2
59.01376	2.0
61.98816	0.6
69.27676	1.7
71.01379	2.6
72.99309	0.2
74.02469	0.2
75.00863	0.4
79.95734	7.6
80.96534	0.3
84.05082	0.3
85.02956	0.3
89.02446	0.7
95.95251	0.2
96.96008	100.0
97.95893	0.3
98.95595	3.4
98.96412	0.6
101.02422	0.6
103.00373	0.6
108.02148	0.3
110.97602	0.2
113.02457	0.4
115.00374	1.6
119.03508	0.2
133.01437	2.2
135.04512	0.6
137.02435	0.6
150.89519	0.2
151.04077	0.4
152.01163	0.5
153.01898	0.3
178.50171	0.2
191.05798	0.3
245.01273	0.2
247.27954	0.2
264.06711	0.5
281.08130	0.3
377.28638	0.2
421.09647	3.9
439.11414	0.7
539.34521	1.1
599.14240	43.9
600.14502	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	599.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.23389	0.4
58.17860	0.5
59.01375	2.4
61.98816	1.9
63.85157	0.4
65.85773	0.4
68.99795	0.4
69.03435	0.7
70.36633	1.5
71.01388	6.2
72.99292	1.5
73.02939	1.2
75.00854	0.4
76.30888	0.4
78.95879	0.4
79.95741	1.1
81.03435	0.7
83.01367	0.6
85.02956	2.9
87.00874	0.6
88.98825	0.6
89.02441	0.9
93.03496	0.7
93.41362	0.4
95.01381	1.1
96.10222	0.4
96.96009	15.5
98.95568	0.5
99.00876	1.2
101.02441	1.8
107.05036	0.7
108.02170	51.6
109.02967	13.4
113.02448	2.1
115.00397	2.5
123.00837	1.0
123.04528	0.8
125.02430	0.5
133.01439	3.2
133.02975	0.9
134.03777	0.5
135.04521	2.4
135.93190	0.4
149.02394	0.5
151.03990	1.5
152.01144	100.0
153.01921	5.9
159.04460	0.8
160.77115	0.4
161.04594	0.9
163.03989	4.2
168.99371	0.5
169.08701	5.7
177.01929	1.7
178.02492	0.5
179.03487	2.1
180.17122	0.5
191.05647	0.8
193.05087	0.5
207.03038	1.2
271.08194	0.8
282.38483	0.4
297.06250	0.4
315.07275	1.7
325.07294	0.5
358.09824	0.4
358.60257	0.5
359.10327	0.6
389.11261	0.5
429.10391	9.9
430.10699	0.6
447.11389	30.2
448.11981	2.1
515.39673	0.4
539.34106	0.9
599.19977	89.4
600.20111	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51682	0.2
59.01369	1.0
61.98831	0.5
63.70518	0.3
71.01381	1.9
71.51586	0.4
79.95736	6.4
80.96531	0.3
87.00882	0.9
91.69682	0.3
96.96007	100.0
97.95947	0.4
102.83900	0.2
108.02171	0.8
109.42854	0.3
110.97566	0.4
113.02422	0.3
115.00381	1.7
119.05017	0.3
133.01398	2.2
135.04501	0.9
136.01654	0.4
138.96959	0.4
147.04494	0.8
151.04005	1.0
152.01094	0.9
153.01422	0.3
159.04411	0.3
165.05573	0.9
179.03423	0.6
191.05612	0.6
196.05469	0.4
207.06721	0.6
259.01163	0.6
283.09790	0.5
296.06921	1.8
297.11209	0.4
311.09149	2.2
326.07980	0.3
326.11502	1.5
373.77542	0.3
437.09119	1.8
439.13779	0.6
447.11792	0.4
456.36102	0.3
599.14264	48.6
600.14691	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	599.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81431	0.2
68.48222	0.2
70.65504	0.4
74.31316	0.2
79.95733	6.1
86.30108	0.2
96.96004	100.0
97.95955	0.3
110.97555	0.6
133.01439	0.2
136.01659	0.2
138.97043	0.2
146.19345	0.2
151.04030	1.0
254.97780	0.2
259.01178	0.7
279.06512	0.2
283.09683	0.3
296.06851	1.1
297.07724	0.4
311.09195	2.3
326.11517	2.1
326.98981	0.2
327.12051	0.2
327.26038	0.2
423.43976	0.2
437.09119	1.5
437.14313	0.3
438.09033	0.3
506.18839	0.2
584.22217	0.2
599.14331	43.2
600.14679	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	598.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	11.7
58.53727	0.7
59.01370	2.2
61.98825	2.8
66.03507	1.1
69.59465	1.4
69.59874	3.1
71.01379	4.3
72.00906	1.4
72.97513	2.0
73.94903	0.7
74.00700	0.7
74.02467	22.0
75.00855	2.3
78.82596	0.7
80.03785	0.9
81.04579	1.9
82.02975	2.6
86.02472	11.5
86.06123	1.0
87.05624	5.1
96.04566	0.7
96.95980	1.3
97.04066	3.2
99.05638	20.6
100.00385	3.0
101.02428	1.6
101.07186	3.2
102.05602	4.5
103.40954	0.8
107.06165	1.4
109.04073	3.4
109.07703	1.0
111.05640	1.3
112.04028	1.7
113.03587	1.3
113.82930	0.7
115.00385	1.6
117.01953	1.8
119.03416	0.8
123.05628	2.3
124.04085	1.0
125.03571	3.5
127.05112	3.2
128.03534	59.5
129.03813	1.3
133.01443	0.9
135.04640	1.4
135.05614	6.9
137.07280	0.9
139.08844	0.9
141.06670	2.4
143.04611	83.8
144.04924	1.2
145.06163	2.3
146.04564	8.2
149.07176	1.8
153.06702	4.6
165.12807	1.4
166.09843	2.1
167.04614	3.5
167.08232	4.5
170.03288	2.3
171.04042	1.9
171.10240	3.6
178.02519	1.2
179.04616	19.8
179.06128	1.6
181.06145	1.8
184.10925	0.9
185.05681	2.5
191.99767	0.8
192.07788	1.4
197.05653	4.0
203.40871	0.8
209.11809	2.8
210.08812	20.5
216.54333	0.7
223.13399	1.5
223.54697	0.7
228.09816	1.6
248.78415	0.8
254.07787	47.1
255.08185	1.6
256.11301	1.8
262.05878	0.9
272.08853	100.0
273.09143	2.9
291.19583	2.4
306.07623	1.0
325.18256	5.6
358.03961	0.8
422.41901	0.8
469.23584	3.5
521.02850	1.0
580.26868	6.3
598.27972	45.5
599.28772	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.98821	3.9
64.41027	0.3
64.91612	0.3
71.01379	7.1
71.52272	0.7
72.99289	0.8
73.02940	0.6
75.00875	1.7
79.95724	0.4
81.03451	11.0
82.03757	0.4
83.05021	33.8
84.05381	0.7
85.02946	0.8
87.00866	0.5
89.02450	1.3
93.03436	0.3
95.05016	0.7
96.96017	4.0
99.00863	0.5
100.07681	5.2
101.02434	1.8
105.03459	1.8
109.03003	0.4
113.02447	0.9
115.00359	5.9
119.03512	0.6
123.04504	0.5
125.07195	0.4
126.05559	1.0
127.04092	0.4
133.01418	7.7
133.02943	12.1
134.03786	2.9
135.04550	2.6
137.02458	1.7
139.04027	0.5
145.05049	0.4
147.04433	0.4
160.05386	0.3
160.63396	0.3
161.02393	0.4
163.03992	0.5
176.04721	0.6
177.01920	9.4
178.02702	5.4
179.03482	2.6
182.15479	0.4
183.10245	1.3
187.04053	0.4
191.05609	0.9
199.13394	0.5
199.18141	6.2
200.04593	0.4
211.13472	0.9
224.17679	0.8
225.16090	8.6
231.13945	0.4
243.17110	19.0
244.17424	1.1
258.50525	0.3
269.15063	1.3
273.14862	0.5
275.09128	1.1
283.13422	1.6
299.12881	0.7
301.14420	1.5
309.21680	0.9
317.13989	0.5
319.15323	0.5
327.16135	0.9
345.16940	0.7
353.20767	6.4
375.27463	1.4
393.19174	0.5
419.19962	0.9
433.31573	0.5
437.21750	4.3
449.11511	0.6
451.32886	2.6
463.19815	0.5
469.33914	15.3
470.34207	1.5
473.13000	0.5
481.20898	1.2
483.71268	0.4
493.25778	0.5
537.32819	5.2
538.32935	0.4
553.22974	1.0
553.39673	0.4
579.37695	3.1
580.54742	0.4
597.38666	100.0
598.38983	13.6
614.20953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.28
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	6.6
58.62862	0.4
58.99574	0.6
59.01357	0.5
61.98817	1.5
66.03490	1.1
68.99584	0.7
70.47390	0.4
70.88708	0.9
71.01384	1.4
72.00902	0.8
74.02468	16.9
81.04575	1.3
82.02969	2.1
85.04075	0.6
86.02474	6.1
86.06107	0.9
86.99085	1.6
87.05627	3.5
88.04021	0.5
90.00173	1.8
90.00694	0.5
96.04604	0.9
97.04067	1.6
99.02119	0.4
99.05640	14.5
100.04029	0.5
101.07215	2.9
102.05617	2.1
107.06145	1.0
107.24168	0.4
109.04048	2.2
109.07733	0.7
111.01925	0.4
111.05640	1.3
112.04035	1.8
112.98576	0.5
113.03590	0.6
115.00386	0.7
116.01727	1.2
116.33107	0.4
120.01296	0.6
123.05673	1.2
124.04050	1.1
124.07674	0.4
125.03542	1.5
127.05107	3.3
128.03531	38.8
129.99672	0.6
133.01482	0.6
135.04680	0.6
135.05649	4.6
137.07156	0.9
141.06682	3.7
143.04611	53.2
144.04933	0.9
145.06207	2.2
146.04582	4.5
153.06680	3.7
155.08241	0.6
160.00735	15.2
166.09843	1.8
167.04623	4.2
167.08244	2.7
170.03333	0.9
171.07758	1.3
172.46310	0.4
177.03352	5.7
179.04613	11.1
181.06160	1.6
184.10878	1.0
185.05650	1.9
192.07788	0.9
197.05611	1.8
198.08795	0.7
209.11746	0.6
210.08821	11.0
213.03433	0.5
215.29405	0.4
217.81781	0.4
227.11714	0.4
228.09825	0.8
242.07788	0.6
253.99963	0.4
254.07793	16.5
255.07997	0.9
269.91245	0.4
272.08853	31.9
273.09055	1.0
288.06558	9.6
289.06750	0.8
291.19928	0.5
306.07623	100.0
307.07816	3.9
333.20593	0.5
469.23956	0.8
580.26746	1.6
598.27997	15.8
599.28241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03436	2.0
59.01377	100.0
61.98817	3.3
69.03431	2.3
69.44061	5.9
69.44490	7.2
71.01376	47.1
71.76909	1.6
72.99300	2.6
73.02949	12.0
80.96505	2.6
83.01373	7.3
85.02934	13.0
87.00868	4.7
88.98786	3.8
89.02429	10.5
95.01383	5.5
97.02959	3.1
99.00873	4.0
101.02441	19.1
111.00898	3.2
113.02441	13.3
115.00339	5.7
117.65894	1.8
121.83356	1.7
125.02427	6.2
131.03482	4.3
133.01389	5.3
133.02951	15.0
134.03677	2.7
135.04539	2.4
137.02457	3.0
143.03519	3.0
149.85385	2.0
161.04576	4.6
164.74910	2.0
172.85863	1.8
177.01840	9.2
178.02641	4.4
197.11887	2.2
211.13432	3.5
235.16954	5.4
309.20761	2.7
349.20236	2.3
367.21222	5.1
409.21957	2.2
502.32748	2.2
511.25894	4.4
597.28009	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	597.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09663	0.5
57.62431	0.5
59.01369	3.2
61.98825	3.3
69.58219	3.2
70.83771	0.4
71.01379	16.1
72.99316	0.6
73.02921	1.4
74.13144	0.5
75.00842	0.7
76.38793	0.5
76.75764	0.5
85.02935	1.5
87.00872	0.5
89.02429	0.8
93.03504	0.6
95.05010	0.6
96.95988	2.0
101.02424	1.9
105.03429	1.0
113.02432	1.1
115.00369	15.3
133.01454	2.5
133.02943	9.0
134.03777	2.8
135.04512	1.3
135.08141	0.6
137.02415	2.0
139.03970	0.7
149.06042	1.0
150.06853	46.4
151.07213	1.5
155.10719	1.6
163.07629	29.0
164.08141	0.6
165.09113	1.1
176.08359	1.4
177.01907	9.7
178.02696	6.1
179.03407	1.0
182.98244	0.5
209.11794	0.7
211.13301	0.6
218.13087	0.9
231.06143	0.6
247.17030	1.2
260.17834	1.1
274.19385	1.7
275.20129	7.9
289.18036	0.9
304.16702	2.5
307.19119	1.2
309.14969	0.6
319.19101	71.1
320.19327	4.9
333.20761	0.6
345.17282	0.6
372.16925	0.5
419.20279	0.7
437.29791	0.5
463.19666	6.2
481.24405	100.0
482.24832	10.6
553.26434	0.8
597.25238	4.6
599.65607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.4
59.01378	50.0
61.98826	3.5
65.87719	1.6
67.34086	1.2
71.01379	49.8
71.51297	1.9
72.99309	6.1
73.02956	1.2
75.00891	1.3
85.02945	7.0
87.00870	5.6
87.35441	1.4
89.02441	39.4
95.01392	2.5
96.00314	1.2
96.45889	1.6
96.95992	2.1
99.00855	1.5
101.02432	17.1
113.02439	14.2
115.00371	28.2
119.03499	16.7
119.04898	1.2
121.03028	1.3
124.01668	1.8
131.03534	2.1
133.01424	54.6
134.03702	2.0
135.04512	6.2
139.03995	4.4
143.03479	3.0
147.04491	2.4
149.04520	2.7
151.00342	2.3
152.01141	1.7
153.05559	1.7
159.04446	2.8
161.02434	1.3
161.04538	2.8
162.03247	1.5
165.00139	1.7
166.02692	7.7
167.03503	3.2
175.03986	2.8
177.01898	2.2
177.05469	1.7
179.03484	4.0
179.05653	8.9
179.06941	2.2
180.13885	1.4
181.05034	6.7
183.10060	1.3
187.03983	5.5
187.07617	3.0
189.05560	1.6
191.05562	1.6
193.05026	1.9
202.06351	2.4
203.03516	2.1
217.05055	2.2
231.10139	3.6
232.07375	2.5
233.08217	2.6
253.05049	1.4
275.09198	7.1
299.12955	2.6
308.07040	1.8
321.03986	1.5
323.05637	1.8
323.09219	3.7
325.07471	3.3
338.11575	1.8
339.08618	2.6
341.10150	1.4
353.10147	4.0
369.09586	9.7
369.13129	1.1
383.11453	1.8
384.12183	8.8
387.14474	2.7
399.14426	100.0
400.14810	9.4
553.23041	2.0
580.21851	1.6
597.22119	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.19941	0.6
56.38885	0.6
57.00502	0.6
59.01366	0.6
70.20667	0.6
71.51594	1.2
71.51958	0.7
73.98409	0.6
77.27955	0.6
78.95898	60.8
95.15939	0.6
96.96954	11.8
97.64986	0.6
102.32844	0.6
149.62733	0.7
150.98003	1.1
152.99571	53.0
153.17586	0.6
171.00591	0.9
171.10205	1.0
181.12357	0.9
195.13872	1.4
199.13460	1.0
207.10167	0.9
209.11766	5.4
223.00130	1.5
225.11249	2.6
227.12958	1.6
241.01152	26.5
241.03610	1.5
243.12428	0.8
262.02356	0.7
279.23254	50.9
280.23584	3.6
281.37018	0.8
295.22729	1.7
311.22107	3.1
315.04782	8.6
317.15906	0.9
367.84940	0.7
415.22510	5.4
595.28888	100.0
595.37964	6.5
596.29230	10.1
601.83807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43989	0.2
59.01372	0.4
61.98827	0.6
69.26898	1.9
71.01382	2.6
72.19713	0.2
72.51342	0.2
72.99304	0.4
73.02918	0.2
79.95730	5.1
85.02928	0.4
87.00871	0.3
89.02481	0.3
93.03462	0.3
96.96004	100.0
101.02445	1.7
105.93736	0.2
108.02158	1.0
109.02921	0.2
109.71557	0.2
115.00365	2.6
116.00733	0.2
119.05045	0.2
122.70389	0.2
123.04528	0.2
128.41493	0.3
133.01422	4.1
133.02937	0.7
134.03748	0.3
135.04500	0.4
149.02484	0.2
151.04030	1.0
152.01149	1.8
163.04042	0.2
169.72495	0.2
175.03951	0.6
176.04756	0.3
177.01932	0.6
178.02716	0.3
179.03479	0.5
188.04745	0.8
221.12021	0.2
230.99434	0.3
231.06651	0.3
231.10190	0.5
259.01196	0.5
266.60291	0.2
275.09283	1.1
281.08356	0.2
294.05310	0.8
309.07605	1.9
324.10037	1.5
325.10571	0.3
429.10016	0.3
435.07492	1.2
447.11188	0.8
480.51523	0.2
597.12671	35.5
598.13159	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	595.279
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01357	1.5
61.98813	2.2
63.96223	1.0
64.95275	0.5
67.45627	0.5
69.03441	0.5
70.22733	0.5
71.01382	9.5
71.52312	0.7
73.02942	1.3
76.53181	0.5
78.98581	4.6
79.95730	9.5
80.96515	57.6
85.02940	2.1
87.00863	3.3
94.98083	13.4
96.96015	1.3
97.02930	1.0
99.00899	0.5
101.02420	2.4
106.98112	2.8
113.02438	0.7
115.00353	0.9
122.97577	5.2
125.02453	2.7
127.04066	0.7
133.01428	1.6
133.02950	0.6
134.97581	4.3
135.04424	0.6
136.99129	1.6
146.97539	0.6
148.99141	5.3
152.32010	0.5
152.98640	5.7
164.98622	9.7
167.00162	0.7
178.02594	0.6
182.99698	1.6
195.13779	0.6
206.99715	2.8
209.11742	0.9
225.00732	18.5
243.01736	1.0
259.68094	0.6
277.21863	0.8
295.22668	0.9
299.04318	3.1
317.60547	0.6
323.41544	0.5
393.01627	0.5
424.81845	0.6
486.04996	0.5
595.27856	100.0
596.28131	11.6
596.37170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98825	5.0
63.96221	1.3
69.03427	0.5
71.01009	0.7
71.01373	7.9
73.02939	1.7
77.73502	0.4
78.98590	5.0
79.95731	9.5
80.96512	57.0
81.03439	0.5
85.02940	3.2
87.00883	2.5
93.97314	0.4
94.98080	13.4
96.96024	1.1
97.02947	1.2
99.00877	0.5
101.02415	2.7
106.98058	2.2
113.02466	0.4
115.00319	0.5
121.02929	2.1
122.03270	0.5
122.97583	2.2
125.02442	2.7
127.04023	1.0
133.01416	1.1
134.80287	0.4
134.97588	4.0
136.99107	1.5
148.99132	5.2
152.98610	5.2
164.98615	10.7
177.02055	0.4
179.03535	0.6
195.13899	0.5
206.99730	2.2
209.04626	0.6
209.11821	2.2
210.04828	0.5
225.00731	16.2
229.20352	0.4
235.36508	0.4
295.22717	1.3
299.04440	3.4
377.84946	0.4
595.27850	100.0
596.28149	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	595.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45517	0.5
55.01855	0.8
58.00574	1.5
59.01376	38.5
67.01879	0.7
69.28831	4.2
71.01379	21.2
72.99305	2.4
73.02934	0.7
83.01368	1.5
85.02943	4.0
87.00866	1.4
89.02444	16.6
93.03492	0.6
95.01385	1.7
99.00823	0.5
101.02438	10.9
110.00070	0.7
111.00832	1.5
113.02442	6.8
115.00336	1.5
119.03477	6.2
119.04956	1.0
122.90295	0.5
123.00851	1.7
131.03481	0.7
131.05006	1.0
133.01418	2.4
135.04514	1.0
137.02438	1.5
137.99538	0.7
138.03230	2.6
139.00383	2.8
143.03453	1.1
146.03716	0.6
147.04523	1.3
151.00368	6.1
152.01062	0.7
153.01930	5.3
153.05568	1.3
158.03682	2.4
159.04482	3.6
160.05284	5.9
161.00389	0.5
161.02432	0.9
166.02698	13.4
173.02437	1.2
173.06041	4.8
174.03172	2.1
174.06857	0.6
175.03996	7.9
175.07611	3.9
175.39212	0.6
177.01866	1.1
178.02722	0.9
179.03444	1.0
179.05611	1.0
181.05054	26.9
182.05324	0.6
187.03958	1.4
188.04733	2.1
189.01962	1.0
189.05542	2.4
190.06328	7.1
191.07065	0.6
191.77554	0.5
197.11908	0.7
201.01817	1.4
201.05641	0.7
202.02737	3.4
202.06325	1.0
203.03491	8.9
203.07095	1.7
204.04109	1.4
205.08655	5.9
216.04190	0.7
217.05063	4.8
218.05786	8.7
219.06482	1.8
231.06465	0.6
232.07338	1.0
233.08159	16.0
241.05003	0.7
245.08345	0.6
249.07864	0.5
269.04257	0.7
271.06046	1.3
271.09851	0.5
281.04639	0.6
294.05527	0.7
309.04065	1.2
310.08334	0.6
323.05527	1.5
324.06357	1.1
325.03519	1.2
338.07907	1.1
339.08737	3.2
340.05728	1.5
340.09491	0.7
353.10327	1.0
354.11176	1.4
355.08167	7.0
356.08624	0.6
370.10501	6.2
371.11017	0.8
385.12897	36.5
386.13348	2.9
397.12930	2.9
398.13455	0.5
413.14670	0.8
415.13974	12.7
416.14328	1.0
419.13760	0.6
479.24991	0.8
486.33743	0.5
580.17676	1.3
595.20270	100.0
596.20557	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	595.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53210	1.0
59.01368	1.2
61.98833	3.2
69.76859	1.0
70.20990	1.0
71.01384	9.4
72.99316	2.4
83.28362	1.1
85.02991	1.1
90.42911	1.2
93.03465	2.6
96.96012	4.2
98.20695	2.6
104.24458	1.1
109.02932	1.5
115.00368	28.1
119.05024	6.1
133.01424	100.0
134.03720	2.5
135.04514	23.9
136.04857	1.5
137.02414	2.0
138.05615	1.8
167.03513	1.5
177.01842	1.8
179.03488	25.6
185.06068	1.3
193.01237	1.3
235.02403	2.2
257.04431	2.5
273.07703	1.4
295.04544	3.7
313.07117	2.4
355.08063	11.8
385.09134	10.5
415.10236	3.6
435.12735	5.1
475.12393	5.3
479.11868	4.9
595.16724	15.4
596.16547	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	595.1667
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
57.45494	1.1
65.00300	1.8
69.03436	1.5
69.97161	3.7
69.97565	2.0
71.01381	2.4
79.01900	1.8
81.03438	2.1
83.01370	3.6
84.28814	1.2
93.03468	7.0
93.03959	1.1
95.04993	2.2
97.02940	4.3
101.02422	1.7
101.09115	1.3
107.01373	6.8
109.02987	1.6
111.04502	3.0
113.02431	1.6
115.00349	1.8
119.05025	38.2
121.02972	3.5
123.00897	2.2
123.04519	3.6
125.02437	8.8
133.01361	1.6
133.02998	2.5
135.04547	1.7
137.02422	5.6
139.04004	6.6
143.04988	4.6
145.02927	7.8
147.04515	2.3
149.02425	5.4
151.00356	3.6
151.03967	1.8
161.02484	2.8
161.06070	2.2
163.00330	2.6
163.04027	3.9
164.04727	1.3
165.01929	6.1
167.03517	10.9
177.01939	6.0
177.05530	1.6
179.03452	4.7
187.04048	7.1
189.01976	1.3
191.03473	5.2
193.01431	11.6
193.04997	1.8
197.04538	3.0
199.07681	3.1
203.03391	1.9
205.01422	7.2
205.05006	1.9
207.02921	3.3
209.04468	3.8
219.02966	3.3
233.04506	1.9
235.02457	13.8
249.03960	2.5
265.03412	4.3
269.08243	1.4
271.06049	4.0
283.06158	3.3
306.58429	1.3
309.06293	1.3
313.07117	18.1
314.07361	1.4
325.07211	6.9
343.08124	6.7
355.08212	81.9
356.08511	6.4
367.08231	2.3
385.09192	59.3
386.09546	3.8
397.09250	4.7
415.10330	21.5
433.14880	2.4
457.11469	5.6
475.12381	32.7
476.12741	3.1
487.12402	5.1
505.13528	11.7
577.15515	2.4
586.33923	1.6
595.16620	100.0
596.17084	12.0
608.98669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3047
Annotation	HAMI3379
Peak:m/z	Relative Intensity
54.48485	0.2
55.69741	0.2
56.31528	0.3
59.01373	3.1
61.34348	0.2
61.98823	7.1
62.96387	0.4
69.23814	0.3
71.01371	2.0
72.76384	0.3
78.95897	100.0
87.00845	0.4
93.03473	0.4
96.96958	8.7
101.02473	0.4
113.09713	0.4
115.00380	1.5
122.98515	0.6
127.11266	0.6
133.01414	2.1
133.02937	0.4
134.03761	0.5
135.04535	0.3
137.02406	0.5
150.98041	0.3
152.99571	15.2
159.04726	0.2
168.13885	1.7
169.12320	0.3
171.00624	24.4
178.02722	0.6
179.03468	0.5
183.13782	0.3
191.05588	0.8
194.05815	0.8
214.04803	0.5
238.18071	0.3
268.09552	3.2
295.22519	0.3
312.12158	0.7
318.63104	0.3
366.16788	1.2
436.12100	0.3
478.29266	0.3
490.34195	0.6
496.23038	0.6
520.26233	0.8
527.33539	0.3
532.30371	0.4
534.27985	0.7
577.22516	0.4
594.30402	65.4
595.30688	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	595.1302
Annotation	Peltatoside
Peak:m/z	Relative Intensity
50.17060	0.3
54.21086	0.4
58.95481	0.3
59.01377	0.6
63.47205	0.3
65.00309	0.8
69.14445	0.3
70.34695	0.7
70.35083	0.6
71.01379	0.9
73.10228	0.4
83.01417	0.7
92.13158	0.3
102.60371	0.3
107.01387	1.8
108.02161	1.6
109.02968	1.0
114.42807	0.4
115.00354	1.0
121.02957	1.3
133.01407	0.7
135.00830	0.5
135.04532	1.0
148.01701	1.3
151.00360	6.2
152.01125	0.7
153.01935	0.6
163.00320	1.0
163.03951	0.4
164.01138	0.7
175.02562	0.4
178.99863	3.6
179.03488	0.9
181.21469	0.4
199.03903	0.5
211.04008	0.4
215.03522	0.5
216.04173	0.8
226.02687	1.4
227.03424	2.5
243.02950	9.5
254.02252	1.9
255.02972	24.9
256.03329	1.0
271.02451	53.5
272.02869	3.9
273.04047	0.8
299.01987	1.4
300.02719	100.0
301.03378	15.0
373.12540	0.4
463.08670	0.5
474.50000	0.4
475.08878	0.5
595.12958	86.5
596.13306	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	593.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
58.00567	1.2
59.01377	100.0
61.98812	8.0
69.70028	6.6
71.01383	26.3
72.01717	1.6
72.99284	2.2
73.02937	5.4
74.97914	1.3
75.00853	1.8
78.95895	7.8
83.01373	3.6
85.02951	11.0
87.00863	2.2
89.02425	4.8
95.01397	2.9
96.95971	1.4
97.02909	1.6
99.00893	2.2
101.02433	11.1
111.00890	1.6
113.02452	8.8
115.00375	8.5
125.02390	1.7
133.01419	4.1
135.04536	2.4
143.03490	2.8
152.99524	2.2
161.04520	3.8
178.02745	1.8
191.05579	4.1
267.12851	1.2
311.84042	1.7
315.25333	19.5
341.31241	1.4
345.30142	6.1
477.30640	62.1
478.30722	5.3
489.34302	59.1
490.34473	5.6
507.35287	21.0
508.35770	2.5
549.36438	6.5
570.36786	1.4
593.36182	3.7
594.30341	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35224	0.9
55.01868	2.3
57.03446	2.1
59.01377	100.0
61.98817	2.0
71.01379	19.3
73.02946	4.6
73.23602	0.8
78.95898	3.9
80.52409	0.9
83.01369	3.5
85.02941	9.5
87.00885	1.4
89.02438	3.4
95.01383	2.2
99.00848	1.2
101.02428	8.9
113.02444	8.7
115.00336	1.0
119.03493	1.0
125.02514	1.0
125.09705	1.3
133.01416	1.6
143.03484	1.6
161.04533	2.5
219.73282	0.8
229.65588	1.2
237.92200	0.8
271.02515	1.0
299.01831	2.2
299.25952	2.7
314.04254	2.5
345.29984	4.4
452.20520	1.0
477.28699	1.1
489.34283	70.8
490.34592	7.4
507.35355	26.1
508.35669	3.1
549.36444	7.1
593.15320	2.1
593.28326	1.3
594.30243	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	594.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.25001	0.9
71.01385	0.6
83.01411	0.8
85.02941	0.3
85.66428	0.2
87.00893	0.5
106.06959	0.2
109.02937	0.6
111.00842	1.2
115.00352	1.9
122.03745	0.4
133.01451	0.8
139.00351	1.3
149.02481	0.5
156.00629	1.5
157.01411	3.3
161.02470	0.3
174.01700	1.1
175.02481	2.6
177.01930	0.4
191.03499	0.7
193.05029	2.1
206.02254	0.4
207.06639	1.6
210.78662	0.3
219.06409	0.3
233.04613	1.0
234.05305	1.6
265.94632	0.3
275.05533	0.7
277.06903	0.3
279.05417	0.4
279.09039	0.3
289.07321	0.7
307.08206	10.5
308.08633	0.6
413.10983	0.4
451.12506	0.5
456.14963	0.3
469.13425	5.5
470.13907	0.5
471.11209	1.9
479.11685	0.3
495.11740	0.5
513.12561	3.2
514.12598	0.5
531.13849	0.3
594.12762	0.6
595.16394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
61.98830	12.6
63.96233	0.9
69.03443	0.7
69.49593	0.7
69.50007	1.3
71.01385	5.6
72.99305	0.3
73.02948	1.1
75.00861	0.4
78.98594	4.2
79.95371	0.5
79.95735	30.4
80.96516	46.1
83.01376	0.4
85.02957	2.2
87.00851	2.2
90.27654	0.3
91.03988	0.3
94.98080	11.0
96.96018	1.1
97.02955	1.4
98.19901	0.5
99.00896	0.5
101.02431	1.9
106.98072	2.3
113.02401	0.4
115.00356	0.3
122.97578	2.7
125.02436	2.4
127.04025	0.7
134.97585	3.4
136.99165	1.4
148.99146	4.7
152.98615	4.1
161.04562	0.9
164.98622	9.4
167.00179	0.7
175.88853	0.3
188.98662	0.4
195.13870	0.4
206.99649	2.9
225.00737	14.2
226.01019	0.5
241.00188	2.1
293.21289	0.5
299.04388	3.5
315.03943	1.0
341.05164	0.6
371.06586	2.3
385.08060	1.0
399.05020	0.3
399.09427	1.6
413.11053	1.3
427.12778	0.8
441.14142	0.8
454.97678	0.3
455.16022	2.8
481.17538	0.6
495.19000	2.2
523.18298	1.3
593.26324	100.0
594.26678	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	593.2633
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.56050	0.3
55.35204	0.3
57.03455	0.5
59.01382	1.9
61.98832	2.2
62.66937	0.3
63.49222	0.3
63.96206	0.5
69.03428	0.4
69.77362	1.7
71.01376	6.2
72.11736	0.3
72.99271	0.4
73.02950	1.8
78.98586	4.0
79.95731	30.0
80.96510	49.0
85.02956	2.6
87.00867	2.2
94.98080	11.4
96.95995	0.9
97.02939	1.4
99.00869	0.4
99.43267	0.3
101.02431	2.3
106.98070	2.3
113.02435	1.0
115.00388	0.4
122.97569	3.7
125.02435	2.6
127.04008	1.1
128.16754	0.3
133.01459	0.3
134.97572	3.7
136.99086	1.4
146.97571	0.4
148.99120	5.0
152.98615	5.5
161.04529	0.8
164.98615	9.5
167.00076	0.4
179.00157	0.5
182.99638	1.3
197.01234	0.4
206.99675	3.3
225.00723	15.9
226.01083	0.5
241.00160	1.2
243.01651	1.9
293.21228	0.5
299.04309	3.3
315.03760	0.6
371.06491	1.7
385.08167	0.8
399.09564	1.2
413.11096	1.1
427.12991	0.5
441.14413	0.5
455.15930	2.2
495.18872	1.8
523.18781	0.7
524.19446	0.5
593.26312	100.0
594.26581	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	593.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.98806	0.8
64.37712	0.5
65.28337	0.5
69.47830	2.9
78.95897	61.0
96.96954	11.2
100.13026	0.5
150.53357	0.5
150.98016	1.2
152.99568	87.6
153.99875	1.0
171.00627	2.1
179.45737	0.5
223.00081	7.9
241.01149	20.5
259.02274	1.3
259.20740	0.7
277.21695	44.4
278.21902	2.5
286.16486	0.5
292.47617	0.5
315.04858	15.1
316.04938	0.6
333.05881	1.0
378.79156	0.5
386.00278	0.5
430.61200	0.5
459.41010	0.5
593.27258	100.0
594.27679	9.7
598.02191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.4
61.93053	1.2
61.98821	5.8
71.77798	1.1
72.17770	1.0
78.95896	64.8
83.05016	1.1
90.53252	0.9
96.96966	12.2
112.30412	1.0
121.02875	1.4
150.97995	1.7
152.99573	54.3
154.21976	1.0
163.95476	1.1
171.00725	1.2
209.11760	2.8
214.09515	1.1
223.00095	3.0
241.01155	27.9
275.51132	1.2
277.21683	45.7
278.22110	2.0
285.29147	1.0
310.70889	1.3
311.22147	1.3
315.04727	8.4
342.03543	1.0
371.14877	1.5
397.37448	1.0
413.09561	1.3
413.20834	6.2
431.22144	1.1
593.27228	100.0
594.27545	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34784	0.6
55.01873	1.8
57.03443	2.3
59.01377	100.0
61.74268	0.5
61.98843	1.3
65.31941	0.6
69.03464	0.9
69.20771	4.5
71.01380	18.8
72.99303	1.1
73.02937	4.6
73.03268	0.5
83.01402	2.6
85.02946	10.8
87.00872	1.2
88.98814	1.0
89.02439	3.2
95.01382	1.5
96.96004	0.7
97.02942	1.3
98.19929	1.1
99.00887	1.4
101.02443	8.1
113.02449	11.7
113.45820	0.5
115.00369	1.6
116.92886	1.7
119.03487	0.6
125.02450	1.1
133.01454	1.8
137.02419	0.6
143.03487	1.6
159.02951	0.7
161.04544	4.8
165.01964	0.6
179.03564	1.0
197.15518	1.2
202.99921	0.5
257.75385	0.6
297.24481	1.8
315.05313	1.3
334.75156	0.6
343.28543	4.6
344.29318	0.9
475.29022	1.7
487.32721	60.5
488.33078	5.6
505.33850	29.2
506.34366	2.2
547.35022	4.5
573.92456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29949	44.1
56.67223	40.1
58.34727	42.4
61.98818	57.1
69.96571	47.0
70.51196	100.0
70.51570	94.9
85.00526	41.0
95.96825	40.2
97.80577	41.5
152.99660	58.8
230.06610	43.1
309.74985	47.1
311.34302	43.6
589.89130	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Tectorigenin 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
58.54491	0.3
59.01390	1.2
61.98832	0.7
65.00355	0.4
69.34704	2.6
71.01390	1.6
72.99309	0.4
87.29565	0.4
93.02907	0.5
93.03427	2.6
96.60048	0.4
109.02950	1.6
110.00123	0.4
113.02432	0.4
114.08272	0.4
115.00358	1.4
117.03506	0.8
121.02991	0.4
123.71039	0.4
133.01431	1.8
135.04501	0.4
137.02443	2.9
151.00417	0.9
153.01929	2.9
163.00424	0.5
165.01904	2.8
166.49649	0.4
173.02368	0.4
183.03059	0.4
183.04483	1.9
191.05646	0.5
193.01366	0.6
211.03966	2.2
212.04599	0.4
219.81792	0.4
227.03471	11.1
228.04121	1.4
240.04210	0.6
243.06641	0.5
255.02960	47.2
256.03574	5.8
269.04468	0.8
271.06046	4.7
272.06238	0.4
283.02448	100.0
284.03134	19.0
284.06451	0.5
285.03586	1.0
297.03937	0.4
298.04797	78.0
299.05530	47.1
299.09177	0.5
300.05838	2.3
353.06723	0.5
437.50394	0.5
443.09338	0.5
445.26550	0.4
461.10895	1.9
477.28247	0.7
593.15045	89.6
594.15295	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	591.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53661	1.4
57.03445	2.8
59.01377	87.9
60.01713	1.8
61.98823	21.0
62.05983	1.4
71.01379	30.1
71.21793	1.7
72.99306	1.7
73.02937	8.1
75.00877	2.0
76.11224	1.6
79.95728	3.7
80.96520	14.6
83.01386	2.5
85.02949	7.2
87.00890	3.5
88.98792	3.4
89.02454	4.6
94.98061	3.8
96.95993	2.0
99.00865	2.5
101.02417	9.8
113.02457	7.8
115.00388	9.3
125.02415	1.6
125.19707	1.4
133.01451	11.3
133.02902	5.4
134.03722	1.5
135.04459	5.1
137.02354	1.6
152.98643	2.3
161.04529	1.9
164.98662	2.7
177.01927	3.0
178.02739	3.6
179.03410	3.5
209.11873	2.0
225.00626	2.7
237.22218	3.7
239.20126	4.9
282.61798	1.6
403.20923	1.7
475.26987	2.6
505.30222	1.8
529.30103	3.2
547.31232	100.0
548.31659	10.9
591.24725	25.0
592.25696	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45746	1.1
57.03437	1.0
59.01377	74.1
61.98825	10.9
67.65217	1.0
71.01379	28.1
71.52586	1.5
72.99298	3.5
73.02923	1.6
77.17185	1.2
83.01362	1.5
85.02949	6.3
87.00856	1.1
88.92636	1.1
89.02432	10.7
95.01366	1.3
96.95983	2.8
99.00891	1.2
101.02432	10.9
113.02465	7.6
115.00354	11.2
119.03484	3.5
119.32170	1.3
126.90363	1.1
129.73436	1.2
130.26985	1.2
133.01454	6.0
133.02870	1.6
135.04468	1.7
161.04507	1.8
167.33492	1.5
179.03481	2.4
181.08757	1.1
211.13310	2.0
229.08835	1.4
233.08144	1.1
291.19705	1.5
292.20007	2.4
457.28003	2.3
475.29089	100.0
476.29391	8.7
487.32413	1.4
529.30011	1.3
547.31342	18.1
548.31476	2.5
591.28638	2.6
591.37775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2474
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
56.05114	0.4
58.75102	0.4
59.01374	5.5
60.99288	0.6
61.98825	4.3
63.96229	1.1
64.66297	0.4
69.03455	0.4
69.31589	3.4
71.01373	7.4
72.99273	0.7
73.02927	1.6
78.95863	0.5
78.98584	4.1
79.95727	10.7
80.96510	52.6
81.03441	0.9
83.01366	0.6
83.04982	0.6
85.02953	3.1
87.00881	2.5
87.84123	0.4
88.26135	0.4
88.98792	3.0
89.02440	0.8
89.17977	0.4
94.98080	13.1
95.01364	0.5
95.98412	0.4
96.96002	2.0
97.02923	1.0
101.02436	3.2
106.98073	2.2
112.29491	0.4
113.02427	1.3
115.00372	1.1
122.97572	5.2
123.57613	0.4
125.02438	2.4
127.03996	0.8
133.01401	1.7
133.02927	0.8
134.03644	0.5
134.97562	3.1
135.04503	0.7
136.99120	1.1
148.99120	4.3
152.98615	5.8
164.98615	10.5
165.12840	1.0
171.55875	0.4
177.01933	0.5
182.99657	1.9
191.05585	0.5
194.41893	0.4
206.99675	3.0
209.11746	0.6
225.00720	16.3
226.00993	0.5
243.01752	1.8
291.19586	2.1
299.04337	2.4
317.05359	0.5
380.37823	0.4
413.23181	0.5
427.12952	0.6
475.27972	0.5
547.31525	1.5
591.24731	100.0
592.25012	11.2
592.34479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.4
59.01376	100.0
61.98808	3.3
64.53637	1.0
68.45786	1.2
69.26838	2.4
69.27244	6.8
71.01006	1.9
71.01376	21.3
71.77592	1.0
72.99331	1.2
73.02926	5.4
83.01386	3.1
85.02947	10.8
89.02426	4.7
95.01397	2.1
96.96027	1.1
99.00873	2.4
101.02441	12.1
111.67665	1.0
113.02444	9.5
115.00352	3.5
115.70268	1.0
119.03524	1.5
125.02419	4.8
128.05466	1.1
133.01402	5.4
133.02913	2.0
135.04509	2.6
142.59373	0.9
143.07126	1.4
145.18738	1.1
161.04546	6.4
171.10161	3.0
172.59312	1.2
175.07516	1.1
178.02611	1.5
179.03477	2.7
187.02472	1.6
201.84909	1.4
209.11844	2.3
311.26404	1.4
339.04922	1.4
341.26825	2.8
413.25385	1.9
449.29053	1.3
467.29901	4.0
473.27701	8.6
485.31125	32.9
486.31494	4.7
503.32275	29.7
504.32431	2.4
515.38440	1.3
545.33197	4.5
545.63885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41854	0.9
55.86485	0.7
59.01367	2.3
60.12928	0.8
61.98822	1.1
69.28195	4.8
69.28601	1.6
71.01378	35.6
72.99300	5.8
87.00872	1.2
89.02452	4.7
93.03450	1.0
95.05035	1.5
96.95982	0.9
97.94807	0.8
105.03466	6.3
115.00370	69.5
119.05069	1.7
121.02982	3.9
130.84222	0.8
133.01422	96.4
133.02946	57.5
134.01698	1.3
134.03804	10.3
135.04518	95.6
136.04836	1.9
137.02451	6.1
138.84579	0.7
139.03983	2.0
142.58905	0.8
149.02446	0.8
151.81087	0.9
160.01663	1.5
161.02434	87.6
162.02769	3.0
163.04008	1.5
175.00301	1.6
176.01120	3.0
177.00337	1.0
177.01918	33.0
178.02695	16.1
179.03490	71.7
180.03902	2.9
184.12155	0.8
187.07619	0.9
195.08081	0.8
251.07063	3.1
269.08194	13.8
270.08420	0.9
274.64673	0.9
295.06192	6.6
311.05255	0.8
313.07150	48.8
314.07492	3.0
314.39215	0.8
339.05057	100.0
340.05420	6.6
429.08215	4.6
473.14456	1.2
549.63342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.083
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	9.6
71.27754	0.9
72.99295	1.3
87.00870	0.7
89.02419	0.6
93.03443	0.9
101.62396	0.5
109.02921	0.8
115.00369	22.3
121.02949	3.0
133.01419	58.4
133.02853	4.4
134.01736	0.9
135.04517	7.7
147.04474	0.8
159.04507	1.0
161.02435	5.0
173.02396	0.5
177.01912	1.7
178.02621	0.9
179.03482	6.4
193.06586	0.6
195.08095	2.9
196.05215	1.0
197.06087	0.6
211.07637	2.1
217.63762	0.5
221.06067	2.4
222.06795	1.7
223.07602	4.0
224.04752	1.0
225.05569	0.6
237.05576	1.2
238.06296	1.2
239.07124	3.9
249.05501	2.6
250.06282	1.7
251.07135	3.4
252.04161	0.7
258.81134	0.6
265.05017	0.9
266.05746	0.9
267.06604	8.6
267.09396	0.4
268.06827	0.5
269.08136	7.1
277.05090	1.3
295.06091	10.0
296.06448	0.6
311.05594	3.8
313.07162	6.7
339.05051	100.0
340.05405	6.9
429.07999	1.0
455.06021	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37161	0.5
59.01368	3.0
61.98808	0.5
66.13065	0.5
71.01379	25.5
71.50597	0.6
71.50957	1.3
72.99316	2.1
73.02919	1.1
77.03958	0.9
83.73963	0.4
85.02936	0.6
89.02427	2.1
93.03443	1.8
95.05041	1.6
96.96002	1.3
101.02437	1.2
102.46494	0.5
104.26952	0.6
105.03460	5.7
107.04986	0.6
109.02979	0.7
110.38628	0.5
113.02445	0.9
115.00369	35.8
116.00728	1.0
117.03445	0.7
118.33978	0.7
121.02958	5.4
123.04506	0.7
125.02393	0.7
133.01427	43.3
133.02950	40.4
134.01794	0.6
134.03784	8.8
135.04518	91.7
136.04881	2.1
137.02454	4.6
139.03987	1.6
149.02426	0.9
151.03935	0.5
154.20944	0.5
160.77052	0.5
161.02437	16.7
161.04459	0.7
162.02817	0.6
176.01190	0.8
177.01924	31.2
178.02686	13.8
179.03488	100.0
179.10808	0.9
180.03860	3.6
183.10246	1.3
223.07703	1.3
239.07095	1.4
248.06905	0.7
249.07457	0.9
251.07088	1.9
265.07263	0.7
267.06641	1.0
269.08142	15.1
270.08353	0.6
272.09479	0.6
283.06030	1.1
295.06137	3.6
295.11673	0.6
311.05502	2.5
313.07162	33.2
314.07660	1.6
339.05054	27.2
340.05289	1.8
405.75244	0.5
429.08224	1.6
517.11676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92273	0.8
52.02350	0.8
52.39965	0.9
59.01380	4.3
61.98812	1.2
70.79288	2.0
71.01376	27.2
72.99287	2.8
87.00874	0.8
89.02425	2.3
91.07440	0.8
93.03457	1.1
95.05036	1.4
96.96014	4.0
101.02454	1.9
105.03466	6.8
106.41573	0.9
113.02438	0.8
115.00360	37.9
121.02955	6.2
123.04549	1.2
133.01413	49.1
133.02940	42.1
134.03772	8.2
135.04515	93.3
136.04865	2.6
137.02441	4.2
139.03987	1.8
149.02415	1.5
150.03224	1.1
161.02425	18.8
177.00377	1.5
177.01917	33.6
178.02675	14.1
179.03484	100.0
180.03871	2.3
193.06599	0.8
195.08052	1.2
239.07138	1.5
251.07088	3.3
267.06622	1.6
269.08115	14.3
295.06052	5.4
311.05527	1.5
313.07150	30.9
314.07407	1.3
339.05045	33.3
340.05301	2.0
348.14981	0.9
361.18591	1.1
429.08112	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	589.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.3
61.98816	2.3
63.28976	0.7
69.53512	2.7
69.53916	1.4
71.01376	39.3
72.01704	0.8
72.33269	0.7
72.99303	6.4
73.02939	2.1
80.67773	0.7
83.33545	0.6
85.02940	1.1
87.00888	1.5
88.98769	1.0
89.02446	5.7
93.03455	1.6
95.04996	1.6
96.96018	6.3
101.02434	1.5
105.03453	7.5
106.04259	0.7
106.26791	0.7
109.02927	1.3
113.02437	0.9
115.00365	70.2
116.00742	1.4
116.30815	0.7
117.03438	1.1
119.05009	2.3
121.02935	2.8
123.04483	1.6
130.08736	0.7
132.02153	1.0
133.01416	96.6
133.02939	51.1
134.01802	1.1
134.03780	11.2
135.04515	92.9
136.04848	2.6
137.02414	5.9
139.04027	2.4
148.01657	1.0
150.03258	0.8
151.03932	0.8
160.01616	1.2
161.02432	89.2
162.02803	2.6
163.03957	1.6
173.60870	0.7
175.00359	1.1
176.01024	1.9
177.00340	1.0
177.01923	31.9
178.02701	14.9
179.03482	77.6
179.10710	1.0
180.03838	2.2
205.12317	1.2
231.10236	1.1
251.07104	3.9
269.08182	13.9
283.05905	1.0
295.06064	4.9
311.06125	0.8
313.07144	45.7
314.07397	2.4
339.05054	100.0
340.05313	6.4
411.22824	0.9
429.08240	3.3
473.14575	1.4
517.10321	1.0
589.21594	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	588.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72511	0.5
55.12469	0.5
56.56510	0.4
59.01377	20.5
61.98828	100.0
69.26888	2.5
69.27309	1.7
70.66190	0.4
71.01385	4.8
73.02943	1.6
77.66431	0.5
83.01389	0.6
85.02940	0.8
87.00897	0.7
89.02463	1.8
96.96017	0.9
99.92613	0.6
101.02438	1.7
113.02496	1.1
115.00385	2.2
116.92101	0.6
116.92829	2.3
117.92909	1.4
125.02506	0.6
133.01424	2.5
133.02963	0.6
135.04543	1.6
137.02484	0.5
161.04526	0.9
171.10344	0.7
178.02733	1.0
179.03545	1.0
187.02438	0.5
191.05663	0.6
209.11885	1.4
251.16457	0.5
280.41611	0.5
348.12125	0.5
473.27533	0.7
474.71310	0.5
550.14874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43264	0.4
59.01072	0.6
59.01379	19.6
61.98829	100.0
62.26250	0.3
67.67171	0.3
69.27132	1.2
69.27556	2.2
71.01382	3.9
73.02955	1.3
75.23737	0.4
79.95786	0.4
85.02990	0.9
89.02451	1.8
96.96007	1.1
98.19984	1.0
99.77498	0.4
101.02436	1.9
113.02467	1.6
115.00361	1.9
116.92865	1.2
117.92902	0.5
125.02402	0.5
133.01468	1.6
135.04536	1.5
149.04524	0.3
161.04613	0.7
177.02109	0.4
178.02734	0.5
179.03510	1.6
180.31308	0.4
180.88922	0.4
191.05666	0.4
209.11859	0.9
267.06976	0.6
279.89447	0.4
309.82260	0.4
339.05331	0.6
391.71844	0.4
426.11447	0.4
472.26215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05608	1.8
70.02975	7.7
70.19505	4.7
70.19895	3.9
71.01376	4.2
72.04550	1.8
75.55268	1.9
78.95908	2.3
82.02983	2.7
85.02967	1.7
87.05626	3.2
89.44132	2.1
92.36071	1.9
95.02509	2.7
96.00912	99.4
96.96025	7.0
98.02472	7.2
98.20689	1.7
109.01692	100.0
111.01988	5.9
111.82435	2.4
113.03561	28.3
114.01989	12.8
115.00362	5.9
115.08795	3.8
119.05001	9.0
124.07694	5.1
128.03540	2.4
129.10330	10.5
131.04599	3.6
133.01436	11.0
135.04480	1.9
137.02473	2.5
139.08763	8.4
140.07166	4.4
141.06671	2.7
145.09810	12.6
151.08832	9.8
152.05995	3.2
152.07155	23.1
153.06635	1.9
153.10229	4.3
155.08264	17.2
155.11858	9.9
161.04526	2.2
164.04723	4.4
166.08734	7.7
168.08995	2.9
178.11150	2.8
179.08395	3.1
181.07288	3.1
181.09827	19.7
193.09866	3.5
193.13441	22.2
194.09389	2.4
195.07719	5.7
196.10901	5.2
207.41740	1.9
210.16074	5.9
211.14494	71.2
211.48230	2.2
212.14839	2.0
216.57693	2.1
221.16525	3.3
225.08804	39.8
226.15666	2.3
227.10265	3.3
228.17143	25.5
240.09874	9.6
243.09862	2.8
246.16083	8.0
247.14543	2.4
254.15042	2.9
264.17136	25.5
265.15387	4.1
280.16541	2.1
281.19885	3.3
283.18246	2.1
290.15073	33.0
304.53830	1.9
307.17859	6.7
308.16122	43.7
310.17923	1.9
325.18802	51.4
326.17416	2.0
337.03503	2.7
343.19824	25.8
365.13840	2.4
406.16113	2.9
423.18738	8.4
424.17401	3.7
441.19864	44.5
442.20343	3.6
454.26846	6.8
490.26590	4.7
534.25708	69.1
535.26001	5.1
551.28320	21.4
552.26740	18.5
553.26709	2.5
569.29364	82.1
570.28955	11.6
587.30438	87.8
588.30597	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	586.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98827	100.0
69.03452	0.1
69.23389	1.0
71.01387	1.3
72.99311	0.2
78.95863	0.2
87.00851	0.1
89.02431	0.2
96.95996	0.6
97.03042	0.1
99.26740	0.1
101.02460	0.4
102.03489	0.2
103.00368	0.1
109.02963	0.2
113.02460	0.1
115.00366	1.4
115.04002	0.1
116.92860	0.2
123.04620	0.1
125.02425	1.0
128.03490	0.2
133.01416	2.0
133.02965	0.2
134.01743	0.2
134.50485	0.1
135.04546	0.9
146.02481	0.2
161.78528	0.1
165.06837	0.1
177.01968	0.2
179.03418	0.6
187.02536	0.6
257.08749	0.1
267.06616	0.2
306.07623	0.4
322.42947	0.1
409.13242	0.3
427.14182	0.5
437.80286	0.1
471.13037	0.1
526.36182	0.3
589.86603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77326	0.1
52.47928	0.1
57.68821	0.1
59.01372	0.3
59.03544	0.1
61.98828	100.0
62.98529	0.2
63.99252	0.6
69.55923	0.3
69.56321	0.4
71.01386	0.4
73.94070	0.1
87.72095	0.1
89.02396	0.1
95.84528	0.1
96.95998	1.0
107.86871	0.1
108.48688	0.1
115.00337	0.5
125.02428	0.2
133.01416	0.6
133.46120	0.1
135.04558	0.2
142.61409	0.1
179.03517	0.1
200.87357	0.1
267.06702	0.2
272.60504	0.1
381.19696	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	585.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52685	1.2
59.01370	3.1
59.04990	1.3
61.98812	5.4
71.01375	23.4
71.51333	1.8
77.03952	2.2
79.95761	1.6
81.56660	1.2
89.03997	1.2
93.03442	1.8
95.05013	6.3
96.95975	2.2
101.86797	1.5
105.03466	15.7
115.00359	15.8
116.92824	2.1
121.02962	2.6
123.04539	2.2
133.01344	5.0
133.02951	100.0
134.02914	1.3
134.03760	21.8
135.04498	2.9
137.02446	15.9
139.03984	5.0
150.03192	3.2
177.00327	2.5
177.01910	65.6
178.02704	65.8
179.03337	5.6
234.19421	1.2
241.53886	1.5
260.10187	1.7
383.18359	4.0
425.23096	1.5
427.17667	9.0
469.18546	83.2
470.19138	8.3
585.31647	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05709	0.4
59.01360	1.1
59.70121	0.4
60.99303	13.6
61.98816	1.6
70.06757	1.4
71.01383	1.7
72.99326	0.5
78.97205	0.3
86.04990	0.3
87.00859	0.8
88.00403	1.2
88.98800	100.0
89.02441	9.4
89.99154	0.6
96.96004	0.8
108.02084	0.4
115.00338	2.0
120.99609	0.5
133.01425	2.8
134.03716	1.6
135.04509	1.1
150.03221	0.4
169.90424	0.4
175.03879	0.4
177.87897	0.3
178.02696	1.1
179.03442	0.7
193.05064	3.1
244.46132	0.4
263.03436	2.1
263.46478	0.4
293.10419	0.7
335.01895	5.2
336.02411	0.5
449.70422	0.4
585.20013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43616	0.5
57.29417	0.5
59.01373	1.7
61.98826	2.1
65.70387	0.5
66.42431	0.5
71.01379	33.0
71.51973	0.6
72.99317	1.1
77.03984	1.4
89.03990	0.7
93.03452	1.4
95.05023	2.1
96.95983	0.7
105.03459	9.2
106.04245	1.0
106.55831	0.5
115.00373	12.2
116.92838	0.6
121.02964	2.6
123.04532	0.9
133.01361	2.8
133.02953	60.2
134.03752	20.3
135.04536	9.5
137.02438	13.9
138.02672	0.5
139.03987	3.9
147.49455	0.5
150.03223	2.2
155.36932	0.5
161.26733	0.5
167.14403	0.6
174.52773	0.5
177.00325	1.2
177.01923	42.5
178.02699	100.0
179.03087	2.9
201.11302	1.7
211.13411	1.1
241.18079	0.7
283.19135	1.4
284.19464	0.8
293.03043	2.0
298.82867	0.5
308.22369	0.7
328.16483	0.6
425.23569	3.1
427.17499	0.6
469.18579	36.5
470.18921	2.1
542.20428	0.6
585.19757	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15397	0.5
55.72863	0.6
59.01371	0.7
61.98825	100.0
68.43416	0.5
69.18363	4.7
80.96508	1.2
91.09187	0.5
107.68726	0.6
118.25298	0.6
192.50095	0.6
285.27301	0.5
316.11002	0.5
363.98950	0.6
424.08496	0.5
584.32251	1.5
597.42987	0.6
605.12524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.8
61.98820	1.9
69.37344	0.9
69.37767	0.5
71.01378	5.7
72.99304	1.0
83.46624	0.2
87.00823	0.3
88.98793	0.4
89.02423	0.6
93.03451	0.2
96.95981	0.8
115.00363	11.4
116.00700	0.3
117.03439	0.2
119.05008	0.3
132.86784	0.3
133.01422	18.8
134.01808	0.3
134.03712	0.8
135.04485	0.8
137.02528	0.2
150.03185	0.2
151.00342	0.9
161.02495	0.2
163.03929	0.5
164.04829	0.4
166.02699	1.2
171.68741	0.2
174.62204	0.2
175.03940	0.4
178.02719	0.4
179.03441	0.6
179.07175	0.2
181.05060	2.4
182.05287	0.5
187.07736	0.3
191.05394	0.3
193.05025	1.3
235.03877	0.5
241.47980	0.2
253.05016	0.2
257.04492	0.4
258.04901	0.2
262.76944	0.2
263.03458	39.0
264.03812	1.9
265.04965	0.5
281.04446	0.2
290.58145	0.2
291.02991	0.8
309.04178	0.2
319.46048	0.2
335.01947	100.0
336.02289	6.1
354.13403	1.2
355.13730	0.5
363.05054	0.3
363.12473	0.3
391.87418	0.2
425.12720	0.3
585.05707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
58.00594	0.6
59.01374	13.3
61.98597	0.5
61.98832	6.0
69.32112	4.7
71.01380	9.2
73.02938	3.8
80.09254	0.5
81.03476	0.6
83.01375	1.3
83.04992	0.7
85.02946	6.4
87.00854	1.1
87.04503	5.3
88.98795	0.6
89.02433	1.0
96.96016	3.7
97.02961	1.4
99.00861	1.1
101.02439	4.8
109.02916	1.0
111.08195	0.8
113.02435	2.0
115.00348	3.3
119.03539	0.9
119.05027	9.1
120.05368	1.8
120.99643	0.8
121.06572	5.0
123.08189	1.5
125.02425	1.1
127.06781	0.6
131.08611	1.2
133.01439	3.5
133.02972	0.7
133.06566	1.4
135.04510	2.4
135.08150	3.5
137.09705	6.6
139.07690	1.5
144.05836	6.6
145.02965	1.7
146.03430	0.6
147.04489	0.9
149.09686	3.9
151.07587	1.7
151.11301	1.2
155.10770	40.7
156.11072	1.3
159.08141	4.9
161.06023	1.8
161.09726	1.3
163.07622	1.2
165.09235	0.8
169.12292	1.5
173.06036	0.7
174.01714	0.9
175.11232	0.8
177.09190	19.2
178.09631	0.9
179.03448	1.1
179.10722	4.2
181.08669	2.4
188.08496	1.1
191.05542	1.4
191.10735	2.3
193.12280	1.0
195.10234	2.1
199.09738	15.9
203.10837	3.1
205.08667	2.0
206.09528	0.7
209.11778	0.9
213.11264	1.0
221.11792	6.1
222.12050	0.6
223.09723	0.9
225.11218	0.7
238.12041	0.8
239.12860	2.0
241.10814	4.4
242.99411	0.6
253.10814	0.7
255.12411	1.4
283.11771	4.9
287.22296	1.6
343.13956	3.0
421.22137	0.7
462.20450	0.7
463.20612	2.5
479.26398	1.1
497.27606	0.9
539.28589	21.0
540.29028	2.5
583.27533	100.0
584.27771	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	584.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
60.91326	0.2
61.98827	100.0
62.98539	0.2
70.44365	0.2
71.01378	0.3
88.98805	0.4
89.02466	0.2
96.95982	0.2
109.29607	0.1
115.00343	0.2
119.05074	0.2
133.01476	0.3
133.12231	0.1
151.00465	0.2
160.04144	0.2
166.02666	0.8
181.05119	0.9
255.17107	0.1
357.13443	0.3
398.09039	0.2
428.13116	0.2
445.99243	0.2
548.19324	1.1
566.20264	0.8
583.31409	0.2
584.31433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62828	0.1
59.01377	1.1
60.48308	0.2
61.98825	100.0
71.01376	1.3
71.51441	0.2
72.99333	0.2
73.02953	0.2
80.96523	0.2
85.02953	0.3
89.02447	0.3
93.03423	0.1
96.96030	0.4
99.00862	0.1
101.02451	0.5
101.35425	0.1
111.00909	0.1
115.00354	0.8
116.92836	0.2
119.03466	0.1
125.02446	0.9
127.05133	0.2
129.70441	0.1
130.08716	0.2
130.63647	0.1
133.01405	1.3
133.02989	0.3
133.68634	0.1
134.03789	0.2
135.04532	0.4
137.02516	0.1
153.35400	0.1
173.08730	0.1
177.01904	0.4
178.02632	0.3
179.03452	0.3
187.02438	0.3
191.05626	0.2
293.10135	0.2
436.16864	0.3
523.34760	0.3
524.35278	0.9
524.42438	0.1
584.31042	2.9
585.31207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
59.01371	1.1
60.82208	0.2
61.98827	100.0
71.01383	1.5
71.51922	0.3
73.02972	0.3
85.02982	0.3
89.02460	0.4
96.96008	0.4
99.04482	0.2
101.02451	0.6
106.51150	0.1
109.02966	0.1
113.02458	0.3
115.00378	0.8
116.92870	0.2
125.02445	0.9
127.05127	0.2
130.08783	0.2
133.01402	1.1
133.02995	0.5
134.03589	0.2
135.04523	0.4
137.02397	0.2
165.32362	0.1
177.01985	0.4
178.02634	0.4
179.03470	0.2
187.02480	0.5
191.05652	0.3
293.10394	0.3
321.20938	0.2
335.02026	0.2
436.17267	0.3
497.68097	0.2
524.34985	1.1
584.30957	3.9
585.31909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01363	1.1
61.98814	1.2
62.96410	1.6
70.51875	2.2
71.01381	2.5
78.95900	100.0
96.96014	1.9
96.96963	4.9
98.19759	0.8
98.95583	1.1
99.92579	10.4
100.92680	0.9
100.93356	2.1
115.24851	0.7
115.92068	40.4
116.92138	1.4
116.92855	29.2
118.07185	0.7
142.94490	1.2
150.98009	4.0
152.99577	25.9
155.90317	0.8
155.95235	1.4
156.95895	0.9
163.89720	1.4
164.90471	2.2
171.00610	12.5
172.95419	6.1
178.88414	15.5
178.92079	0.9
179.89209	39.1
180.90015	26.3
181.90910	1.1
189.91255	0.8
194.87868	4.7
196.89470	46.3
197.89531	1.8
204.89998	0.9
205.90750	4.4
206.91537	4.3
208.89438	2.0
212.88948	1.1
213.01727	1.4
218.91582	0.8
219.92319	1.7
221.90213	2.2
225.22318	0.7
225.46046	0.7
234.90970	1.4
235.91838	11.0
236.92587	28.6
237.92801	1.5
252.92082	3.2
253.21588	1.1
261.93457	0.8
270.93140	1.9
276.95682	2.5
278.93677	4.5
292.95233	2.6
309.95334	1.3
310.96240	5.7
326.95618	1.4
353.14154	1.2
473.14130	5.4
490.14203	5.8
533.15875	3.8
545.15991	5.8
563.17188	8.8
564.17505	1.4
581.18201	94.7
582.18542	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	581.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77277	0.2
59.01377	100.0
60.01716	0.6
61.98828	0.4
70.62099	0.3
71.01380	1.1
85.02949	0.3
96.95994	0.3
101.02445	0.5
106.69617	0.2
133.01418	0.3
135.04546	0.2
178.02692	0.2
179.03568	0.2
191.05817	0.2
251.15263	0.2
294.59570	0.2
317.21155	0.3
338.46542	0.2
459.62866	0.2
461.25659	0.5
479.26425	1.0
521.27472	0.3
581.27704	0.4
589.32312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00788	0.1
59.01368	0.4
61.98826	100.0
69.22594	0.9
71.01381	0.9
78.95908	0.7
82.56328	0.1
82.96085	0.2
109.63807	0.1
115.00390	0.6
133.01445	0.6
133.02928	0.2
137.16194	0.1
152.99606	0.4
177.01933	0.3
220.78162	0.1
244.61809	0.1
248.39014	0.1
277.21796	0.2
279.23248	1.6
280.23676	0.6
281.24045	0.2
282.24261	0.2
313.23883	0.1
345.16623	0.1
346.24484	0.1
355.08408	0.1
471.22198	0.1
504.30896	1.2
505.31512	0.2
506.31934	0.2
507.32037	0.5
543.25311	0.1
581.26172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.2
71.51620	0.8
75.38669	0.7
78.95898	21.8
80.10831	0.8
80.59589	0.7
80.96511	4.7
94.98077	1.0
110.70255	0.8
115.92043	1.2
116.92809	0.8
134.48247	0.8
138.61876	1.0
139.55719	0.8
152.99573	2.7
168.04291	3.2
224.06902	8.0
283.26401	100.0
284.26770	7.1
440.31094	1.0
508.34012	75.4
509.34308	7.1
511.07822	0.9
582.30170	8.5
583.19574	1.9
583.30017	1.6
601.80872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91996	0.2
56.43731	0.3
59.01373	14.6
61.45516	0.2
61.98824	6.3
63.99246	0.6
69.23151	2.0
71.01382	1.0
73.02942	0.4
78.95892	6.0
78.96338	0.5
78.98583	0.5
79.95727	1.4
80.96513	8.6
82.96086	0.4
85.02969	0.6
87.00892	0.3
88.57311	0.2
94.98080	1.9
98.20607	0.5
104.55166	0.3
108.10170	0.2
122.97565	0.6
125.02445	0.7
134.97533	0.4
148.99101	0.5
150.65762	0.3
152.98561	0.6
152.99590	1.3
162.00584	0.2
164.98628	1.2
165.98973	0.3
168.04234	1.2
169.45424	0.3
172.09557	0.3
182.99794	0.3
206.99629	0.3
210.76541	0.2
224.06947	0.7
225.00677	1.5
226.01103	0.4
242.07936	2.2
281.24817	100.0
282.25165	5.4
348.60843	0.3
421.70410	0.2
506.32465	37.9
507.32748	3.1
553.46460	0.3
562.02301	0.3
580.28674	15.6
581.18518	0.4
581.28558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	21.6
61.98828	6.0
64.20822	0.7
69.77361	0.7
71.01370	4.8
78.95898	27.3
78.98586	1.4
79.95734	3.4
80.96511	13.9
82.96095	1.2
85.02935	1.0
87.00870	0.9
94.98073	4.8
96.96004	1.7
96.96926	0.9
97.02927	0.8
99.04462	0.6
99.92580	1.6
101.02365	0.6
104.43586	0.7
115.00259	0.9
115.92069	3.4
116.92845	1.9
122.97572	0.9
125.02401	1.3
134.97588	1.0
140.42461	0.7
143.87952	0.7
148.99129	1.9
152.98660	1.1
152.99588	4.8
163.02861	0.8
164.98590	2.4
168.04262	2.7
170.11238	0.8
171.00516	1.0
178.88458	1.2
179.89174	3.2
180.89951	2.1
196.89507	3.7
224.06931	7.7
225.00697	2.8
226.01128	1.1
235.91736	0.7
236.92633	2.1
242.07950	2.5
281.24820	100.0
282.25131	6.1
374.92123	0.7
506.32458	75.2
507.32755	7.1
580.19568	1.7
580.28729	31.9
581.18121	8.8
581.28516	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	581.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
59.01628	0.8
61.98825	3.2
63.19944	1.0
71.01379	44.9
71.51997	1.7
74.26473	0.8
77.03977	0.8
89.03947	2.9
93.03435	1.1
95.05030	4.7
101.75056	0.9
105.03466	17.6
115.00365	13.6
117.03494	1.4
121.02891	1.2
123.04476	1.8
133.02956	100.0
134.03769	10.7
135.04533	11.7
137.02408	1.7
149.02463	0.8
159.02808	0.8
177.01923	50.5
178.02687	14.9
179.03490	15.2
180.03537	0.9
181.08662	1.6
209.11754	1.6
245.11760	2.3
294.82758	0.8
423.14493	20.2
424.14926	1.5
465.15482	39.4
466.15814	3.0
515.50641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
59.43744	0.3
61.98826	0.6
63.96223	1.2
69.03452	0.6
70.52042	0.6
70.52410	0.5
71.01373	6.3
72.12907	0.2
73.02937	1.5
73.15012	0.2
77.80437	0.3
78.95885	0.5
78.98589	4.4
79.95727	8.2
80.96510	55.4
81.03445	0.5
83.01396	0.4
84.43651	0.3
85.02938	2.1
87.00865	2.5
94.98077	13.3
95.01346	0.2
96.17991	0.3
96.96019	1.5
97.02956	1.4
99.00875	0.3
101.02421	2.3
106.98076	2.5
113.02481	0.5
122.97574	4.8
125.02455	2.8
127.03996	0.7
127.12262	0.3
134.97580	3.8
136.99138	1.2
146.97565	0.3
148.99126	5.3
152.98613	6.4
152.99773	0.5
162.83220	0.2
164.98616	9.9
165.98994	0.3
167.00150	0.4
182.99713	1.9
186.57985	0.2
188.98642	0.3
206.99695	2.5
225.00719	15.6
226.01067	0.4
228.91190	0.3
243.01666	1.3
255.23259	0.7
269.24747	0.3
279.23196	2.3
281.24841	0.8
299.04306	2.7
320.21619	0.3
341.10968	0.3
349.80814	0.3
359.68985	0.3
486.40140	0.3
506.32327	0.6
579.28369	100.0
580.28748	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
63.96234	1.1
71.01380	8.1
71.35535	0.6
72.99276	0.4
73.02946	1.6
78.95900	0.6
78.98588	5.7
79.83831	0.3
79.95728	9.6
80.96513	60.4
81.03455	0.8
83.01369	0.5
85.02953	2.5
87.00861	2.8
89.02442	2.0
94.98084	13.9
95.01424	0.6
96.96016	2.6
97.02951	1.2
99.00887	0.6
101.02438	2.5
106.98081	3.0
113.02417	1.2
119.03485	0.5
122.97578	2.8
124.16969	0.4
125.02444	2.5
127.04010	0.7
134.97568	4.4
136.99109	1.1
143.03424	0.6
146.97594	0.3
148.99133	5.3
150.43178	0.3
152.98605	5.2
152.99591	0.2
155.99863	0.3
164.98619	11.6
167.00162	0.4
179.05630	0.3
188.35857	0.3
206.99664	2.7
225.00737	14.3
240.49025	0.4
255.23254	4.1
269.24854	0.5
279.23355	2.1
299.04425	3.2
323.09915	0.5
332.06711	0.4
341.10751	1.2
551.60651	0.3
579.28394	100.0
580.28705	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	579.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23369	0.1
59.01379	0.2
61.98825	100.0
71.51460	0.1
71.51849	0.2
78.95905	0.3
152.99606	0.6
216.51273	0.1
229.19508	0.1
255.64265	0.2
277.21689	1.6
278.22095	0.9
279.22342	0.3
502.29449	0.7
503.29645	0.2
504.29593	0.2
505.30362	0.5
579.30933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
53.09903	0.4
59.01370	1.8
60.14426	0.4
61.98846	0.5
69.24921	3.4
71.01383	2.3
73.02944	0.6
75.03202	0.5
80.18242	0.4
83.01355	0.5
85.02922	0.7
86.47401	0.3
94.17789	0.4
95.01380	0.5
96.00935	0.5
96.96001	0.5
101.02429	1.1
103.25749	0.4
105.03435	0.6
109.02924	1.5
110.02433	0.4
111.00883	0.4
113.02429	0.5
115.00367	1.2
115.08771	0.8
116.92741	0.4
118.06595	0.5
121.02915	0.8
123.00827	2.0
123.04533	0.4
124.01611	0.5
125.02459	1.0
133.01431	1.3
133.02945	0.5
135.04497	1.1
136.67151	0.4
137.02432	7.9
139.00336	0.5
139.03920	0.6
149.02432	1.1
150.03163	0.7
151.00352	15.0
151.03964	1.2
152.01064	1.8
152.04765	2.6
161.04565	0.7
162.03264	0.8
163.03984	2.0
163.46989	0.4
164.04770	0.6
164.07169	0.8
165.01854	0.7
165.05576	0.4
165.07523	0.4
166.02705	53.5
167.03452	3.2
175.04013	0.5
177.01872	3.1
177.05573	0.5
178.02769	0.4
179.03517	1.1
180.04321	0.6
181.05054	65.8
181.54324	0.4
182.05392	1.5
184.03749	1.3
190.02708	0.5
190.06319	1.5
191.03503	1.1
191.05443	0.5
192.04265	1.2
193.05067	0.9
195.02856	0.5
195.06657	0.8
205.04987	0.9
205.08615	1.1
207.03009	2.5
207.06566	1.1
208.03632	0.8
209.04663	0.4
220.07393	0.6
231.15109	0.7
270.04745	0.4
271.05096	0.4
301.07315	0.5
329.10211	0.6
339.12170	0.5
343.21332	1.0
359.11368	1.9
371.15005	0.5
387.10806	13.0
388.11221	0.8
402.13113	7.1
403.14362	0.6
414.17426	0.4
417.15524	100.0
418.15839	8.2
445.18054	0.8
561.27399	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1353
Annotation	NSC641260
Peak:m/z	Relative Intensity
55.65095	0.4
59.01376	46.4
61.98811	0.6
63.02361	0.5
64.09320	0.4
65.00304	0.5
70.22897	0.8
70.23286	1.0
82.01202	0.4
82.15160	0.4
83.01368	0.7
85.64498	0.4
89.02400	0.6
93.03465	0.7
96.95989	1.8
98.19889	0.5
107.01367	2.7
115.00351	1.5
121.02967	0.5
126.90472	5.0
132.02185	0.9
133.01402	1.4
133.19220	0.4
135.00842	0.8
135.04477	0.5
143.04936	0.5
151.00343	4.1
159.04504	0.7
163.00375	1.6
164.01183	0.8
165.00087	0.5
165.01962	0.5
171.04501	0.5
175.04019	1.3
178.99901	0.8
183.04448	0.8
185.06030	1.2
187.03949	1.4
189.05582	0.7
197.05978	0.7
199.03926	0.9
211.04039	2.4
213.05542	1.5
227.03473	38.5
228.03908	1.7
229.04996	5.4
239.03374	1.5
240.04118	0.8
241.05103	0.8
255.02963	67.5
256.03561	7.6
257.04541	5.1
267.02869	0.7
269.08212	1.0
279.06500	0.9
281.08179	1.2
283.02411	0.9
284.03241	100.0
285.03964	44.4
286.04385	2.1
294.08884	0.5
297.07703	3.5
308.10828	0.5
309.07681	5.0
309.11319	1.6
312.10065	3.2
323.08862	0.6
324.09933	4.4
325.10205	0.6
327.12372	17.8
328.12570	0.6
339.12308	17.7
340.12592	1.2
429.08102	0.8
447.09119	1.0
579.13513	96.6
580.13733	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	578.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.3
61.98819	1.8
69.21030	1.5
69.21459	0.6
71.01380	0.5
71.05022	0.3
73.07996	0.2
75.00867	0.6
78.95898	100.0
85.32203	0.2
96.96960	8.7
98.20711	0.5
106.59000	0.3
115.93538	0.2
122.98522	0.6
127.11257	0.6
135.04559	0.3
140.01189	0.5
150.97974	0.3
152.99574	15.4
167.14404	1.7
168.13908	1.4
171.00629	19.6
185.90735	0.2
193.13075	0.2
194.05870	0.7
211.13383	2.2
214.04865	0.5
229.14432	0.7
238.04576	0.2
238.08566	0.3
241.18060	1.5
268.09509	3.1
312.12091	0.4
366.16779	1.5
373.10339	0.2
391.27103	0.2
426.19080	0.3
467.21295	0.2
480.23746	0.5
504.26831	0.4
578.30927	63.4
579.31287	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98827	100.0
62.98539	0.2
69.43874	0.8
71.01376	1.2
75.00864	0.5
77.74988	0.1
78.98600	0.3
79.95732	0.8
80.96511	4.7
85.02959	0.6
87.00890	0.3
94.98087	1.3
96.96034	0.2
97.02919	0.2
101.02444	0.2
106.98122	0.2
111.22617	0.1
113.02458	0.2
115.00385	0.2
122.97605	0.4
125.02422	0.2
133.01439	0.1
134.97552	0.2
136.99136	0.1
147.18410	0.1
148.99170	0.5
152.98637	0.5
164.98621	0.7
206.99765	0.2
225.00748	1.4
245.37666	0.1
255.23253	0.2
279.23303	0.7
280.23660	0.3
281.24048	0.3
299.04312	0.2
366.91528	0.1
564.07739	0.2
578.37646	1.1
579.28430	8.7
591.14807	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74158	0.3
59.01377	22.0
59.36213	0.3
71.01395	1.9
71.50503	0.4
73.02917	0.6
74.65391	0.4
78.95899	21.3
78.98588	1.4
79.95734	2.4
80.96510	16.9
82.96091	1.3
87.00892	0.9
87.49719	0.3
94.98070	3.6
97.02917	0.4
101.02437	0.8
106.98071	0.6
134.97574	1.0
136.99083	0.5
148.99109	1.3
152.98573	0.8
152.99580	3.7
164.98598	2.5
165.98903	0.7
168.04283	3.4
174.41234	0.4
183.25270	0.4
183.99713	0.5
199.58598	0.4
206.99565	0.5
224.06918	8.3
224.08939	0.8
225.00706	2.6
226.01093	0.8
242.08017	2.5
261.22290	0.7
279.23248	100.0
280.23624	6.0
294.27142	0.4
299.04404	0.6
459.24152	0.4
504.30908	74.6
505.31131	6.5
535.54089	0.4
578.27124	26.4
579.27020	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.9
59.01376	40.6
60.65293	1.6
61.98829	22.1
69.03460	4.1
69.27113	1.3
70.98392	1.3
71.01379	24.0
71.52135	2.0
72.99293	3.2
73.02938	3.9
78.33508	1.3
79.95728	2.2
81.03446	2.2
83.01392	2.4
83.05027	2.9
85.02951	6.6
85.15160	1.4
87.00864	4.3
88.98809	2.8
89.02434	12.2
93.03441	3.5
95.05021	2.2
96.95998	5.2
97.02941	8.5
97.06588	8.1
99.00887	1.9
101.02442	16.3
109.06583	2.3
111.00848	2.2
111.08140	4.8
113.02464	6.9
115.00368	7.3
116.92852	2.0
117.00581	1.4
119.03473	4.4
119.04955	2.0
125.02428	2.1
125.09708	5.6
133.01396	6.3
133.02943	2.9
134.03760	2.3
135.04550	4.1
135.08084	1.8
135.52605	1.4
137.09679	3.5
143.03444	1.8
143.07094	5.6
145.01410	1.6
153.09207	2.8
161.04608	7.8
165.09158	1.5
165.12845	4.1
169.08698	20.2
171.10277	3.7
173.04564	1.6
177.01897	2.0
178.02713	3.0
178.28510	1.5
179.03502	1.8
179.05551	2.1
181.08662	2.5
183.10233	5.1
191.05623	8.2
193.12325	2.5
199.09752	4.4
209.11826	2.2
211.13513	1.8
219.17480	7.2
225.14891	3.9
235.17105	2.4
253.09273	83.3
254.09506	3.2
263.16495	33.5
264.16830	2.1
281.17566	100.0
282.17770	3.7
341.23242	25.3
342.23459	1.8
433.96045	1.8
461.18246	1.8
461.28949	13.1
515.28992	3.2
517.26031	4.0
533.29303	2.4
546.28430	1.7
577.22852	5.1
577.33575	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76809	0.4
59.01368	1.1
61.98828	27.4
62.98537	0.4
63.96230	1.0
69.03434	0.5
69.30576	1.2
69.30996	1.7
71.01379	7.6
72.99268	0.4
73.02943	1.9
73.84724	0.3
78.95892	0.3
78.98583	6.0
79.95729	10.4
80.96512	65.7
81.03470	0.7
85.02950	2.8
87.00891	2.4
94.98083	15.7
96.95975	0.8
97.02954	1.2
101.02415	2.4
106.98084	3.7
113.02409	0.5
122.97562	3.6
125.02444	2.3
127.03997	0.7
134.97581	5.3
136.99139	1.1
143.01457	0.4
148.99127	6.0
149.00220	0.7
151.17596	0.4
152.98602	4.8
164.98610	10.5
167.00250	0.4
206.99614	2.6
209.11882	0.4
225.00723	15.2
226.01028	0.4
277.21719	1.3
279.23276	1.1
299.04459	3.8
318.31918	0.3
359.10092	0.4
417.86813	0.4
577.26813	100.0
578.27185	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.8
61.98826	8.8
63.96222	0.7
69.03455	0.5
69.71508	1.8
71.01380	5.9
73.02952	1.5
78.98587	4.8
79.95737	7.6
80.96516	53.4
81.03483	0.7
85.02943	3.0
87.00880	1.8
94.98080	12.0
96.95965	1.0
97.02947	1.0
99.00922	0.3
101.02425	2.0
106.98082	2.8
113.02464	0.4
122.97575	4.6
125.02434	2.5
127.04047	0.4
134.97586	3.2
136.99130	1.2
146.97658	0.4
148.99129	4.7
152.98619	5.6
164.98618	8.0
167.00243	0.4
182.99623	1.8
186.07361	0.3
206.99669	2.5
225.00728	12.2
226.00975	0.5
243.01762	0.8
277.21667	2.0
279.23294	1.1
299.04321	2.4
454.79355	0.3
504.30893	0.6
547.34460	0.4
577.26831	100.0
578.27173	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47039	0.3
59.01378	15.2
61.98811	0.5
70.57483	0.8
71.01379	3.1
73.02934	0.9
78.29973	0.2
79.55415	0.3
81.66499	0.3
82.64091	0.3
85.02944	0.6
86.16127	0.2
87.00884	0.3
89.02448	2.9
90.02739	0.3
101.02445	3.4
112.33275	0.3
113.02477	1.6
115.05524	0.3
119.03500	1.1
125.02415	0.2
133.05089	0.5
134.95352	0.3
143.03448	0.3
161.04561	0.9
166.05377	0.3
179.05585	0.4
223.46077	0.3
235.08293	1.5
238.94099	0.3
253.09273	12.1
254.09671	0.6
261.22327	0.3
270.58047	0.3
279.23267	100.0
280.23593	6.0
319.82068	0.3
345.53540	0.3
515.32031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06452	0.4
59.01379	10.9
60.98145	0.3
61.98817	1.2
70.57523	1.1
71.01371	3.0
72.65762	0.3
73.02924	0.8
74.60169	0.3
83.01388	0.6
85.02940	0.9
87.00862	0.4
89.02439	2.6
101.02439	2.8
101.15872	0.3
108.02155	2.9
109.02935	0.6
113.02439	1.4
119.03479	1.0
119.66944	0.3
133.05090	0.4
135.04494	0.5
152.01125	1.5
152.99403	0.3
153.01958	0.4
161.04533	1.6
167.32938	0.3
197.71904	0.4
209.11824	0.4
235.08186	1.3
253.09286	14.3
279.23267	100.0
280.23630	7.1
342.90201	0.4
398.92743	0.4
486.59033	0.4
549.21838	0.4
575.28461	2.9
575.36102	0.5
580.35022	0.5
598.81464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53598	0.2
59.01377	17.5
61.98817	0.6
70.59207	0.5
71.01374	0.7
78.95900	6.6
83.05003	0.2
89.05914	0.2
94.41304	0.2
127.07597	0.2
152.99574	1.2
168.04233	1.5
224.06862	1.3
233.22661	0.2
242.07991	3.1
259.20581	0.7
275.20004	0.5
277.21698	100.0
278.22064	6.5
324.75580	0.2
369.97159	0.2
502.29370	41.5
503.29657	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	576.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45420	0.5
59.01375	25.1
61.98827	3.6
71.01376	1.2
71.35712	0.7
78.95898	27.2
108.17115	0.5
122.98549	0.6
133.01472	0.5
152.99605	3.4
168.04286	4.7
192.42471	0.5
224.06882	11.8
242.07922	3.2
243.90302	0.6
277.21689	100.0
278.22043	5.1
372.31311	0.5
466.46506	0.5
502.29367	90.8
503.29614	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	575.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84249	1.1
59.01365	3.1
61.98820	1.4
64.04174	1.4
69.62170	5.9
71.01367	3.7
73.28663	1.1
89.02420	1.3
96.95985	2.7
99.08153	15.9
101.02392	1.4
115.00340	3.3
127.07628	16.5
129.05571	54.4
133.01410	4.2
135.04500	3.0
145.08646	2.8
171.06615	2.4
179.03464	2.8
189.07663	100.0
190.07999	3.6
191.05663	1.4
390.35577	1.3
477.48077	1.4
543.16205	1.6
575.19373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01400	1.1
56.36702	1.2
59.01378	2.7
60.99301	16.3
61.89388	1.2
61.98819	6.1
71.01376	2.1
71.51447	1.3
86.83657	1.0
87.00854	2.9
88.00396	5.4
88.98802	100.0
89.02440	46.9
115.00341	1.6
193.93373	1.2
209.11749	1.7
272.41077	1.1
549.96539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56028	1.1
57.03432	1.5
57.55803	1.3
59.01358	3.2
62.35972	1.3
71.01370	4.6
71.09245	1.8
73.47672	1.1
80.96515	1.6
88.07996	1.2
89.02436	1.5
96.96008	4.2
99.08154	13.6
101.02454	1.8
115.00356	4.1
125.02423	2.0
127.07665	14.1
128.03535	1.7
129.05573	48.3
133.01425	5.7
135.04497	3.9
145.01500	1.5
145.08698	1.5
171.06592	3.9
176.04881	1.2
179.03442	2.4
189.07671	100.0
190.08040	2.3
191.05486	2.4
210.46202	1.4
414.67175	1.4
455.24896	1.7
465.28271	1.2
575.20032	2.5
594.30798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.02951	0.7
59.01373	6.0
60.99298	0.8
61.98813	2.1
70.02972	8.8
71.01376	21.2
71.05012	7.6
71.52139	0.8
72.04544	1.0
73.02930	0.9
85.02935	0.7
87.00867	1.1
87.05621	3.8
88.98808	6.4
89.02429	1.2
96.37608	0.5
96.95981	1.6
98.95597	0.5
99.04527	3.2
101.02451	1.5
113.02464	1.3
114.35851	0.5
115.00370	16.7
115.05091	1.1
116.07172	2.0
122.68839	0.6
129.05566	1.1
130.03313	8.5
131.41537	0.5
133.01413	7.1
133.02922	0.9
135.04494	1.3
135.08133	1.8
137.02386	0.6
137.09709	7.5
137.15578	0.5
146.08224	60.7
147.05963	4.2
147.08595	1.1
151.04024	0.7
153.85017	0.5
154.12367	7.6
155.10779	7.2
171.08403	0.7
179.03514	0.7
181.08714	2.9
185.11749	1.0
187.02370	0.6
198.11389	3.1
199.09726	1.2
201.11263	1.0
209.11707	0.8
215.07437	0.8
217.11913	14.7
241.23489	0.6
258.11652	13.8
277.12244	43.3
278.12527	1.8
329.15518	0.5
343.21066	2.3
364.71039	0.5
365.17325	0.6
379.68851	0.5
387.82895	0.5
390.31375	0.5
457.29895	1.0
458.30319	1.5
459.21671	100.0
459.30685	2.6
460.21927	9.4
461.10413	0.5
526.21320	0.6
531.27930	2.3
575.21857	3.8
575.31647	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	574.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03449	0.6
58.00581	0.6
59.01376	45.8
60.01709	0.3
61.98818	1.0
69.23778	2.8
69.76645	0.3
70.59992	0.3
71.01376	17.0
71.05040	0.4
72.99305	1.1
73.02959	2.9
83.01391	1.8
84.17919	0.3
85.02940	5.7
87.00883	1.1
88.03496	0.3
89.02438	11.7
89.68725	0.3
95.01395	0.9
96.96013	0.4
97.06587	0.4
97.58310	0.3
99.00877	1.1
101.02438	13.0
113.02441	6.3
113.09705	0.3
115.00384	0.9
115.07657	3.2
119.03498	4.7
121.70095	0.3
129.01924	0.3
131.03511	0.4
133.01430	0.5
135.04494	0.7
137.09721	1.4
143.03482	0.9
155.10765	1.4
156.10291	1.4
158.11842	6.5
159.02957	0.5
161.04523	1.8
167.14410	0.3
179.03291	0.6
179.05630	1.0
191.14386	0.6
192.31006	0.3
193.12431	0.6
201.11368	0.3
209.15469	0.5
209.19121	0.7
234.18694	0.3
236.16570	0.5
302.46045	0.3
320.17148	3.0
334.23975	0.4
476.24472	0.6
496.29346	0.5
514.30286	0.9
556.31183	3.3
574.32245	100.0
575.32623	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	575.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25206	0.7
59.01361	1.2
71.01380	13.4
71.32436	0.8
71.32772	0.9
72.99313	1.9
87.00879	1.1
89.02435	2.0
93.03430	0.7
96.96004	2.0
102.45546	0.8
109.01674	1.0
115.00363	31.9
119.05016	18.9
125.02462	0.7
133.01425	100.0
134.01749	0.8
134.03729	1.6
135.04515	17.0
145.06540	0.9
163.04002	35.5
164.04341	0.8
164.07182	0.8
177.89027	0.7
179.03484	16.9
180.03761	0.8
187.02332	0.7
191.05554	2.6
255.10287	1.1
279.05084	3.6
295.04642	2.0
343.08130	1.8
575.20526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03448	0.9
58.00583	1.0
59.01376	49.2
60.99298	0.4
61.98827	1.2
71.01378	19.0
71.05017	0.8
72.99298	1.4
73.02939	3.3
81.03484	0.3
83.01383	1.9
83.01817	0.3
83.05054	0.3
85.02941	5.4
87.00875	0.8
88.98812	1.5
89.02438	11.5
95.01396	1.3
96.96021	0.7
99.00861	1.5
101.02439	11.2
111.08190	0.3
113.02444	6.9
113.09719	0.4
115.00340	1.8
115.07639	1.7
119.03492	4.3
125.02464	0.3
133.01405	2.0
133.02965	0.5
134.03697	0.5
135.04483	0.6
137.09711	1.2
143.03484	0.9
155.10774	2.6
156.10248	1.8
157.08698	0.9
158.11845	4.9
159.02928	0.8
159.04256	0.3
161.04536	1.7
176.78703	0.4
178.02740	0.5
179.03464	0.6
179.05577	1.2
191.14417	0.7
200.12900	1.2
209.15553	0.4
209.19083	1.2
211.13368	0.4
217.52251	0.3
234.18657	0.4
236.16577	0.5
294.01871	0.3
320.17102	2.3
334.23788	0.3
362.18097	0.5
458.24841	0.5
458.30261	0.9
468.06870	0.3
476.24902	1.0
494.58975	0.3
514.30060	1.0
531.27979	0.4
556.31268	3.4
557.31274	0.5
574.32257	100.0
575.32642	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	574.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.70772	0.1
61.98825	100.0
62.98537	0.2
63.12489	0.1
67.10828	0.1
69.23636	1.2
69.24046	0.3
71.01388	1.0
90.31058	0.1
98.20731	0.2
99.22802	0.1
104.92170	0.2
105.68642	0.1
113.02426	0.2
115.00373	0.3
133.01439	0.3
178.02673	0.3
283.84518	0.2
335.64224	0.2
349.67706	0.2
459.29611	0.3
575.34277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96534	0.6
59.01374	3.6
61.98829	100.0
70.02958	1.9
71.01382	5.7
71.02486	1.4
71.51922	0.8
72.99273	1.4
73.04060	3.7
81.02180	2.5
82.02979	4.2
85.02934	1.1
87.00874	0.9
89.02451	1.0
96.00905	9.0
96.96028	4.6
98.02469	11.0
98.95577	0.8
101.02435	1.9
109.01682	4.4
109.04074	10.9
110.02479	19.8
111.01974	2.1
113.03559	3.0
114.01937	3.2
115.00343	4.8
120.01228	0.9
122.09724	1.0
125.02435	2.3
127.05141	10.0
128.03563	1.5
128.04607	1.2
130.08733	38.5
133.01428	6.9
135.01962	2.9
135.04520	2.1
135.05646	1.4
136.52129	0.8
138.09248	12.5
139.08766	2.7
140.07158	2.9
144.07829	1.0
152.04625	2.9
153.03047	25.1
154.05209	1.2
154.08797	0.9
155.08253	1.4
156.06662	1.2
163.08771	1.4
164.09534	1.1
165.05566	0.8
165.10294	1.0
166.07405	1.2
166.08725	15.3
168.10280	1.6
170.05699	20.1
171.04106	6.3
179.03468	1.5
187.02522	0.9
188.06700	1.9
191.05666	1.3
204.09016	2.4
209.09337	0.8
210.07721	2.9
214.08319	2.2
225.16068	5.7
232.09383	2.2
233.16637	2.0
235.18143	6.2
236.11595	0.9
236.16437	1.2
243.17102	2.1
253.19116	2.9
261.16010	7.1
265.05844	0.8
279.17126	7.4
297.18079	1.0
307.80328	0.9
323.16092	39.7
324.16336	2.0
341.17200	4.4
370.20840	1.2
425.16455	1.1
441.23657	1.5
459.24548	2.2
477.19791	8.1
494.22678	6.3
495.20578	4.6
503.21661	1.2
512.23547	11.0
513.23126	1.3
521.22473	14.4
522.22992	1.4
530.24341	2.7
538.25232	11.8
539.23608	14.7
556.26233	38.3
557.25830	3.8
574.19257	2.1
574.27283	34.5
575.27368	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	572.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03109	0.3
54.90535	0.3
57.03438	2.9
59.01377	40.1
60.01705	0.5
61.98824	2.3
63.16441	0.3
70.01461	0.7
70.01859	0.5
71.01376	12.3
71.05016	6.6
72.99305	0.4
73.02946	0.4
83.01395	0.3
83.05009	0.8
85.02961	0.4
85.06603	0.8
86.02490	0.4
88.98808	0.6
89.02430	0.7
96.95998	3.7
97.06607	1.2
97.67403	0.3
98.95580	0.3
101.02404	0.4
102.05615	0.5
110.06125	1.0
111.00788	0.3
111.08162	0.5
113.06081	2.2
113.09721	0.5
115.00364	10.7
116.05057	1.2
118.91573	0.4
120.42021	0.3
125.09728	0.4
128.03622	0.4
129.09236	0.5
131.07126	2.7
133.01425	5.8
135.04530	1.0
137.09753	0.5
139.11319	1.4
140.10796	2.2
143.10764	5.7
154.08821	0.4
155.10811	1.0
156.10304	0.6
165.12856	1.3
167.10788	1.4
170.15559	0.3
172.09801	0.3
174.11316	4.0
179.03482	1.0
180.03951	0.4
183.10336	0.6
183.13887	10.9
184.09767	0.6
185.11816	11.7
195.17584	0.5
197.15434	3.1
198.15047	0.4
199.09836	2.4
201.11363	1.4
208.13383	1.7
209.11800	0.6
210.14996	0.7
226.14520	1.0
226.17982	0.5
227.12990	0.5
228.16008	5.8
229.14391	1.0
237.18594	1.0
239.16475	3.2
245.13914	0.6
252.12502	0.5
252.19658	0.7
253.21738	0.6
270.16974	0.5
271.15576	0.5
281.17615	0.8
282.20776	0.7
288.18265	1.3
296.09421	0.6
299.18771	0.4
341.19727	0.9
342.22781	2.5
376.82925	0.3
412.14932	0.4
438.28430	0.5
456.29782	100.0
457.30170	7.5
468.45816	0.4
529.27533	0.5
572.27356	3.0
573.29071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03295	0.2
57.03442	2.7
59.01377	38.9
60.01719	0.3
60.99313	0.4
61.98834	1.4
64.58616	0.2
69.03447	0.2
70.13363	0.2
71.01378	9.4
71.05016	7.7
71.52175	0.3
72.04545	0.2
72.99303	0.3
73.02946	0.5
79.95744	0.4
80.76167	0.2
83.01389	0.2
83.05032	0.5
85.06611	0.3
87.22314	0.2
88.98824	0.8
89.02430	0.3
94.89297	0.2
95.05030	0.4
96.08189	0.6
96.96004	4.6
97.06593	0.5
98.95591	2.8
98.96480	0.4
101.02466	0.4
102.02785	0.2
109.02986	0.2
109.06628	0.2
111.08174	0.5
113.02383	0.3
113.06061	1.3
115.00367	10.4
116.00706	0.2
125.02417	0.2
125.09696	0.5
129.09212	0.3
131.07149	0.7
133.01421	5.5
135.04549	0.7
135.43620	0.2
137.09702	0.2
139.11250	2.2
143.10770	10.2
146.04631	0.3
160.04079	0.6
161.02412	0.3
165.12875	0.9
166.12364	0.3
167.10764	1.5
169.12291	0.3
170.15520	0.3
174.11328	0.4
179.03535	0.8
179.64034	0.2
180.13943	0.6
180.66931	0.2
183.10330	0.7
183.13879	11.6
184.14357	0.3
185.11813	15.9
186.12212	0.3
192.58603	0.2
198.15005	0.6
201.11339	0.5
208.13422	3.0
208.15245	0.3
209.11913	0.6
210.14957	1.1
224.16512	1.0
226.14510	1.6
226.18071	1.3
227.12813	0.4
228.16008	10.1
229.16377	0.4
245.13963	1.0
253.21741	0.9
270.17178	1.1
281.17563	0.8
288.18094	1.8
315.07205	0.3
341.19632	0.8
342.22803	1.9
428.15833	0.2
438.28864	0.6
456.29681	100.0
457.30051	7.7
457.36685	0.3
572.14758	2.5
572.26746	1.2
573.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01378	2.4
61.23596	0.3
61.98832	0.6
63.57911	0.3
68.24442	0.3
69.03446	0.9
69.95428	1.0
69.95849	0.7
70.42891	0.4
71.01378	2.9
73.02952	2.2
83.24961	0.4
85.02949	1.6
87.00848	0.5
87.04514	38.2
88.04874	0.4
88.60332	0.3
89.02429	0.5
95.05003	0.6
96.95988	1.7
97.02920	0.9
97.06598	0.9
99.16356	0.3
101.02456	0.8
101.06046	0.4
109.06526	0.5
112.85983	0.4
115.00386	2.1
122.09661	0.3
123.04526	0.4
125.02473	0.4
125.06076	0.7
133.01422	2.4
135.04515	1.5
139.07677	0.8
158.15158	0.3
161.06110	0.3
165.05389	0.5
179.03453	1.1
179.05414	0.4
180.11336	0.4
199.11270	0.6
200.08405	0.5
201.12828	1.4
202.91660	0.4
219.13928	0.9
225.12692	0.4
227.14421	1.3
229.08627	0.4
229.12292	2.7
231.10434	0.5
242.02742	0.3
243.13860	1.2
245.15483	2.5
246.15936	0.4
247.13414	0.8
271.13681	0.4
273.14880	0.5
275.09241	0.5
281.15445	0.4
287.16510	0.6
299.16528	1.9
301.14236	0.4
306.41489	0.4
317.17715	2.0
320.15851	0.5
327.19568	0.6
333.20642	0.4
335.18640	4.2
336.18948	0.4
337.19904	0.4
345.20563	0.5
372.03256	0.4
377.19397	0.7
387.21716	0.5
405.22797	1.4
407.20670	1.8
423.23895	5.1
435.23923	0.5
475.26892	0.9
493.28232	3.4
494.28406	0.7
511.29080	100.0
512.29462	7.4
516.65979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2885
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01371	1.2
61.98796	0.4
69.71546	2.0
71.01385	1.3
71.14069	0.3
78.95900	52.1
89.53207	0.4
90.63633	0.4
96.96957	11.0
102.05029	0.4
115.00358	0.9
124.60112	0.3
132.04079	0.4
133.01382	0.8
150.97995	0.9
152.99574	46.4
153.99901	0.6
175.23270	0.4
181.49706	0.3
223.00064	2.0
241.01163	24.3
255.23271	63.0
256.23639	3.6
259.02237	0.6
277.21680	0.8
291.30209	0.4
305.84109	0.4
313.16653	0.4
315.04788	7.1
391.22461	4.4
392.22815	0.5
571.28833	100.0
572.29333	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	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
57.84679	0.3
59.01383	2.4
60.99297	0.6
61.98827	0.8
64.25388	0.4
69.03447	0.9
69.59828	0.8
69.60240	1.3
71.01374	2.9
71.97607	0.4
72.99255	0.4
73.02941	5.1
83.05022	11.9
83.06102	0.4
85.02930	2.4
87.00890	0.5
87.04505	2.7
88.98795	1.6
89.02438	0.7
95.05018	1.3
96.96008	1.1
97.02926	0.5
97.06578	1.0
98.20648	0.5
99.04454	1.9
101.06078	1.0
102.09196	0.4
113.06078	2.4
115.00359	1.0
119.03413	0.3
121.06565	0.7
125.06061	1.1
131.07088	0.8
133.01381	1.3
135.04521	0.8
139.07635	3.0
141.49515	0.4
153.05492	0.4
157.08649	0.7
163.11258	0.6
167.01640	0.4
173.08200	0.6
175.09738	13.8
191.10808	0.7
199.11327	0.4
201.12817	1.2
213.12827	0.5
219.13950	0.7
227.14389	1.4
228.11340	0.4
228.14963	0.4
229.12291	2.7
231.10216	0.4
231.13892	0.7
243.13828	0.9
245.15388	2.5
247.13318	1.1
249.14766	0.5
261.14853	0.7
273.17178	0.5
299.16507	1.4
301.14401	0.5
317.17526	2.5
320.16135	0.4
335.18542	3.6
347.00549	0.5
347.18439	0.4
401.23032	0.4
405.22830	1.2
407.24429	0.4
419.24460	0.4
421.25793	0.5
446.13452	0.4
455.14877	0.5
475.27008	0.9
493.27792	3.9
494.27805	0.4
511.29065	100.0
512.29376	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	571.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36648	1.4
55.01863	6.6
56.80847	1.4
57.03450	8.4
58.00607	1.4
59.01377	60.3
61.98836	8.8
69.03455	2.4
71.01379	100.0
71.46574	1.4
71.50922	2.6
72.99291	4.9
73.02945	27.1
74.33765	1.3
75.00879	2.2
75.72501	1.4
83.01387	14.8
85.02461	2.7
85.02950	42.8
87.00873	9.9
87.04523	2.1
89.02445	27.7
95.01400	8.6
97.02913	4.9
99.00881	12.2
101.02435	58.3
111.00871	3.9
112.01640	2.7
113.02454	43.5
115.00359	2.9
119.03474	5.5
125.02450	4.2
129.01945	1.9
131.03465	6.6
133.01408	3.2
137.02393	1.7
143.03464	6.0
147.73048	1.6
149.04575	2.0
159.02977	5.0
161.04543	21.8
171.10260	2.2
184.68996	1.4
191.05551	2.2
209.11879	2.5
230.84270	1.3
235.17059	10.6
268.39334	1.6
319.41565	1.3
349.20193	3.5
353.31616	1.4
365.16241	1.5
367.21271	15.7
399.38696	1.5
409.22202	1.9
463.23120	2.6
493.85840	1.7
511.25372	8.1
560.13226	1.4
571.30835	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51254	0.1
59.01376	2.9
61.98827	100.0
70.36782	0.4
71.01382	1.8
73.02957	0.3
83.75194	0.1
85.02975	0.3
89.02462	0.6
96.96044	0.2
97.23054	0.1
97.98348	0.1
98.20057	0.1
101.02450	0.7
113.02448	0.6
115.00368	1.1
116.00744	0.1
119.03568	0.2
121.03004	0.2
121.74577	0.1
125.02470	0.2
133.01434	2.1
133.02980	0.3
135.04526	1.3
137.02371	0.1
161.02499	0.2
161.04568	0.2
176.01173	0.1
178.02728	0.2
179.03500	1.5
180.03711	0.2
208.13309	0.1
209.52612	0.1
212.93571	0.1
267.06744	0.2
268.07071	0.3
278.71448	0.2
295.06131	0.2
312.06360	0.2
369.57306	0.1
410.13333	0.5
437.12387	0.3
454.24033	0.2
455.13712	0.4
483.34412	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10518	0.1
59.01369	1.2
61.98827	100.0
62.98519	0.1
71.01381	1.6
71.16057	0.1
72.01721	0.2
72.99324	0.4
73.12617	0.1
75.00838	0.1
81.26268	0.1
85.02973	0.2
87.00884	0.2
88.63972	0.1
89.02444	0.2
96.96034	0.2
98.20760	0.2
98.65530	0.1
100.64718	0.1
101.02420	0.1
104.14111	0.1
115.00357	2.8
116.00777	0.2
121.02969	0.4
126.99988	0.1
133.01431	4.0
133.02995	0.4
134.01756	0.3
134.03740	0.3
135.03009	0.5
135.04518	2.4
136.04903	0.3
145.02959	0.1
159.04529	0.2
161.02486	0.2
166.60503	0.1
173.02531	0.1
174.03223	0.3
177.01996	0.3
178.02762	0.2
179.03494	2.7
179.04953	0.2
180.03885	0.3
212.25456	0.1
249.05533	0.1
251.07170	0.2
252.17017	0.1
253.05260	0.2
267.06714	0.4
268.07175	0.4
280.03900	0.2
281.04752	0.2
291.66061	0.1
295.06027	0.7
296.06937	0.1
305.82205	0.1
311.05713	0.1
313.06943	0.2
335.15524	0.2
337.16440	0.3
393.13547	0.2
409.13055	0.1
410.13235	0.9
411.14175	0.2
437.12497	0.5
437.17789	0.2
452.51102	0.1
454.23871	0.2
455.13632	1.0
455.19226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
60.06214	0.3
61.98827	100.0
70.55930	0.8
70.56299	0.7
71.01376	0.6
86.29202	0.3
102.08439	0.3
121.02982	0.6
129.55693	0.3
145.02974	0.8
153.78326	0.4
154.37093	0.4
183.06001	0.4
200.57191	0.4
298.37360	0.4
396.63116	0.4
507.29764	1.1
571.08661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58779	0.4
55.01869	1.0
57.03434	0.7
59.01375	100.0
60.01714	0.7
61.98501	0.9
61.98824	17.1
65.38239	0.5
69.33076	1.3
69.33482	2.5
71.01375	18.7
72.99306	1.1
73.02942	3.7
80.96530	0.6
82.95402	0.7
83.01391	1.8
85.02946	5.4
87.00886	1.6
89.02455	1.3
93.03444	0.5
95.01354	0.9
97.02969	0.7
99.00871	1.6
101.02438	6.8
105.34961	0.5
109.02979	1.5
109.06607	0.8
111.00942	0.6
113.02427	4.1
115.00357	11.8
125.02452	1.8
133.01424	18.3
133.02985	1.1
134.03761	1.8
135.04509	14.1
135.05519	0.7
136.04889	0.7
137.02470	1.0
143.03519	0.8
159.03053	1.0
159.04378	0.5
161.04541	3.7
177.01941	0.7
178.02684	1.0
179.03494	12.4
179.04980	0.9
191.05783	0.5
194.78523	0.5
198.05064	0.5
225.11380	0.5
229.08736	0.5
239.07117	0.8
249.05780	0.5
267.06519	4.2
268.07388	1.6
273.07755	0.5
284.06894	1.1
285.22412	0.7
294.05270	0.5
311.05502	3.1
312.06299	4.4
313.06879	0.5
365.14264	0.8
365.19885	1.3
371.14957	0.6
403.17770	1.3
404.17694	0.5
409.12872	10.3
410.13470	1.0
438.91321	0.5
453.11911	0.6
465.28531	14.7
466.28958	1.5
483.29480	5.8
484.29858	0.5
495.57050	0.5
525.30573	6.5
527.25006	1.9
569.26422	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	568.2176
Annotation	Aclacinomycin T
Peak:m/z	Relative Intensity
54.68567	0.8
58.02972	7.8
59.01377	8.3
61.98820	3.6
66.03470	1.5
70.02966	0.9
71.01379	10.4
71.50765	1.2
72.00893	2.3
72.99282	1.3
74.02469	17.7
77.45187	1.0
82.02980	2.6
83.01363	1.0
84.04559	1.0
85.02935	2.2
86.02479	6.5
87.05605	1.8
89.02451	5.6
96.96011	3.7
97.04065	2.2
99.05630	14.0
101.02419	3.3
101.07204	2.7
102.05582	3.5
104.03558	7.7
108.02071	0.9
109.04057	2.8
111.05665	1.2
112.04046	1.1
113.02415	2.0
115.00378	5.4
119.03488	2.1
124.03983	1.2
125.03562	2.4
127.05128	2.6
128.03535	40.9
133.01425	10.3
135.05627	4.8
137.07210	1.2
140.52182	1.0
141.06694	1.9
143.04620	49.0
144.04965	1.3
145.06139	2.0
146.04567	7.1
153.06638	2.9
155.08226	1.1
166.09854	2.9
167.04639	2.4
167.08197	3.8
170.03282	1.3
179.03282	1.3
179.04630	13.6
184.10829	1.4
191.05547	1.5
197.05637	1.9
209.11792	1.0
210.08818	13.5
254.07814	21.6
255.08110	1.4
272.08875	35.2
286.16962	0.9
365.13959	1.5
406.15894	1.8
414.36713	1.0
439.17477	5.7
453.23517	0.9
474.88858	0.9
550.20825	11.4
568.21771	100.0
569.21851	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	569.2599
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
55.01871	3.0
57.03445	3.3
58.00614	0.8
59.01377	100.0
60.01720	0.7
61.98827	10.8
67.01877	3.6
68.99821	0.8
69.03452	67.0
70.03780	0.6
71.01379	41.5
71.52150	0.7
72.99311	2.4
73.02947	9.5
75.00895	1.6
78.95904	1.6
81.03455	2.4
83.01383	9.0
83.05027	1.3
85.02947	14.3
86.00124	1.3
87.00885	6.1
89.02440	5.4
93.03476	1.5
95.01373	4.9
95.04997	0.9
96.96011	2.2
97.02949	6.2
99.00874	5.9
101.02441	12.4
107.01409	0.7
109.02932	1.5
111.00867	3.8
111.04508	1.9
112.01687	2.2
113.02452	13.2
115.00378	4.3
119.03555	1.1
121.02940	1.9
123.00842	0.7
123.04538	1.6
124.01682	2.2
125.02441	10.3
129.01959	0.7
131.03497	1.2
133.01407	5.3
133.02937	2.0
134.03847	1.3
135.04510	9.4
137.02426	1.5
139.04015	1.3
143.03519	3.7
143.04459	0.8
151.04037	0.7
159.03065	0.9
159.04527	0.6
159.15410	0.6
161.04570	4.5
177.01982	1.0
178.02705	2.2
179.03467	9.3
183.13908	2.2
191.05551	1.3
199.13359	0.8
203.05447	0.7
207.13889	1.3
209.11804	0.7
214.06375	0.8
233.15439	10.0
241.53206	0.7
251.16495	9.6
274.08481	1.2
297.03946	0.8
301.77808	0.7
311.05606	1.3
312.06403	1.6
313.16583	3.2
315.18140	1.0
331.17392	0.8
347.18509	2.5
355.17847	0.7
365.19638	14.2
366.19949	1.0
383.20691	2.4
407.20697	1.5
409.12994	3.1
409.18100	0.8
437.21387	1.3
439.19434	1.4
457.20685	5.5
459.22296	3.1
461.21817	0.9
477.23251	1.7
483.22485	1.2
491.22775	2.7
499.21188	0.7
509.23892	21.5
510.24014	1.2
527.24915	10.7
528.24670	1.0
538.13367	0.7
551.24847	2.8
569.25916	43.1
570.26190	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	567.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41861	0.8
57.03426	1.0
59.01357	3.9
60.39938	0.8
60.82754	0.9
61.98817	1.9
64.36015	0.9
70.64601	0.9
70.85838	2.2
71.01072	0.8
71.01382	8.7
72.99299	2.3
75.00868	1.1
85.02925	3.5
87.00872	3.1
89.02440	2.7
93.03450	14.7
95.01387	1.3
96.95996	3.9
101.02441	2.1
105.01902	2.8
108.02166	44.9
109.02374	1.0
109.02953	12.8
113.02453	2.4
115.00375	8.4
118.95157	1.0
119.04997	2.1
121.02943	1.9
125.59097	0.9
128.83305	0.9
133.01419	13.8
133.02936	2.2
134.03719	1.5
135.04483	3.2
137.02438	27.7
146.03584	0.9
149.05965	1.2
151.04021	1.7
152.01143	95.7
153.01906	5.1
161.02400	2.1
163.03954	4.5
165.05547	1.5
171.70885	1.0
175.02354	0.9
175.03951	1.3
177.01814	1.9
177.04012	1.6
179.03458	2.3
187.04015	1.1
187.07674	1.2
191.05580	1.8
193.05020	2.9
195.06586	1.2
207.03058	1.1
211.80292	0.9
219.03001	0.9
229.08536	1.1
275.09225	1.7
315.07257	1.1
363.12152	1.4
371.11371	1.2
389.12311	1.3
407.11789	1.5
429.04776	1.7
429.10275	16.1
443.69238	1.1
447.11423	16.6
451.16568	1.4
487.14688	1.8
523.13519	1.2
567.13440	100.0
568.14020	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	565.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.47239	0.3
57.03441	0.8
58.00580	0.4
59.01377	13.4
60.01703	0.3
61.98826	4.0
62.38185	0.3
66.42279	0.3
68.44786	0.3
71.01378	20.0
72.01692	0.4
72.99286	1.0
73.02950	2.7
83.01396	2.1
83.80926	0.3
84.17322	0.3
85.02947	4.1
86.00160	0.3
87.00861	1.2
89.02440	3.5
95.01373	0.6
97.02944	0.7
99.00885	0.9
100.35772	0.2
101.02434	5.6
111.00880	1.1
113.02431	3.3
115.00365	11.3
119.03471	0.7
125.02412	0.6
133.01425	6.1
133.02899	0.4
134.03777	0.3
135.04494	1.0
139.59613	0.3
141.12845	0.6
143.03493	0.6
161.04533	0.8
161.92900	0.3
172.05257	0.4
177.01898	0.9
179.03453	0.4
187.03900	0.3
201.11342	0.9
209.11830	2.0
210.02722	0.4
241.21642	0.3
269.21201	2.0
283.13327	2.8
284.13687	0.4
285.20624	0.4
287.22256	22.3
288.22559	0.9
301.14417	0.8
311.12787	0.5
327.15948	0.5
329.23138	0.4
345.16870	0.6
361.29678	1.3
370.33060	0.3
371.15195	0.6
393.14706	1.2
431.26566	1.8
449.27512	100.0
450.27850	7.1
450.33749	0.6
505.33792	6.5
523.34729	2.6
532.00024	0.3
565.28613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.47239	0.3
57.03441	0.8
58.00580	0.4
59.01377	13.4
60.01703	0.3
61.98826	4.0
62.38185	0.3
66.42279	0.3
68.44786	0.3
71.01378	20.0
72.01692	0.4
72.99286	1.0
73.02950	2.7
83.01396	2.1
83.80926	0.3
84.17322	0.3
85.02947	4.1
86.00160	0.3
87.00861	1.2
89.02440	3.5
95.01373	0.6
97.02944	0.7
99.00885	0.9
100.35772	0.2
101.02434	5.6
111.00880	1.1
113.02431	3.3
115.00365	11.3
119.03471	0.7
125.02412	0.6
133.01425	6.1
133.02899	0.4
134.03777	0.3
135.04494	1.0
139.59613	0.3
141.12845	0.6
143.03493	0.6
161.04533	0.8
161.92900	0.3
172.05257	0.4
177.01898	0.9
179.03453	0.4
187.03900	0.3
201.11342	0.9
209.11830	2.0
210.02722	0.4
241.21642	0.3
269.21201	2.0
283.13327	2.8
284.13687	0.4
285.20624	0.4
287.22256	22.3
288.22559	0.9
301.14417	0.8
311.12787	0.5
327.15948	0.5
329.23138	0.4
345.16870	0.6
361.29678	1.3
370.33060	0.3
371.15195	0.6
393.14706	1.2
431.26566	1.8
449.27512	100.0
450.27850	7.1
450.33749	0.6
505.33792	6.5
523.34729	2.6
532.00024	0.3
565.28613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74492	1.1
59.01376	5.0
59.47235	1.0
61.98825	8.2
69.91304	4.0
71.01370	3.8
77.67730	1.0
78.95897	55.2
83.04998	1.0
96.96960	10.3
115.00358	2.6
115.83155	1.1
115.92073	1.2
116.92851	3.9
131.56448	1.0
133.01411	1.8
134.55556	1.0
137.93295	1.0
139.07631	6.1
152.99576	83.8
153.99858	1.5
171.00580	1.7
219.04205	1.0
223.00111	8.7
241.01167	20.6
249.18576	42.0
249.21202	2.0
250.18904	2.4
259.02158	1.6
300.31927	1.0
309.91495	1.1
315.04898	14.4
425.67102	1.0
522.14398	1.2
565.24121	100.0
566.24658	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	565.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33850	1.0
55.86053	1.0
59.01374	100.0
61.98826	12.2
69.03433	1.3
71.01377	14.8
71.51305	1.1
72.99326	1.4
73.02950	2.7
73.60423	0.9
78.91865	1.9
79.95747	1.4
80.96528	1.4
83.01376	1.9
85.02959	6.2
89.02459	1.7
90.10094	0.9
94.76877	1.0
95.01434	1.1
96.95982	2.3
97.02949	1.1
99.00846	1.4
101.02441	7.1
113.02408	4.0
115.00357	3.8
133.01396	2.9
133.02943	2.3
134.03722	2.3
135.04510	3.7
135.21657	1.0
137.02422	1.6
139.07501	2.0
161.04544	2.7
178.02623	3.1
179.03479	2.3
190.13974	1.1
191.05602	1.4
209.11806	3.5
316.83826	1.1
317.21161	5.8
428.38974	1.1
449.14569	1.2
461.25507	13.6
463.24072	1.1
479.26511	10.7
508.32370	1.0
521.27563	2.0
535.68219	1.2
565.28723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43451	0.3
57.03445	1.0
57.72263	0.4
58.00590	0.5
59.01375	65.3
60.01722	1.2
61.98825	100.0
62.61244	0.4
70.19681	1.0
70.20017	0.8
71.01378	20.3
72.01708	0.7
72.99302	0.9
73.02941	11.8
83.01375	3.2
85.02938	4.4
87.00864	1.3
89.02437	14.7
95.01373	1.8
97.02905	0.5
99.00857	0.9
99.04563	0.4
101.02435	17.2
113.02448	10.9
114.02757	0.5
115.00364	2.9
119.03489	6.3
123.28979	0.4
125.02464	1.0
131.03488	1.6
133.01434	3.0
133.02893	0.5
135.04504	0.6
143.03485	2.6
149.04555	3.6
155.03496	0.5
161.04538	7.6
177.01875	0.7
179.05597	5.3
191.05569	0.5
209.11696	1.2
221.06555	1.7
258.34940	0.4
263.69254	0.4
287.22131	2.0
328.21729	0.5
359.28036	0.9
360.28262	0.7
449.21887	0.5
449.27557	6.9
457.24231	1.0
503.32230	5.5
504.25674	0.7
504.32532	10.2
505.33084	1.8
521.33484	2.6
522.33435	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06633	0.5
55.01887	0.6
57.03429	1.2
57.09455	0.5
59.01378	8.2
61.98811	0.9
71.01380	17.7
72.99294	2.7
73.02938	1.9
73.82962	0.5
75.00872	6.1
85.02951	9.1
87.00867	4.5
89.02446	2.8
91.05528	0.9
95.01382	2.2
96.95984	0.7
99.00870	5.4
103.00336	0.6
103.62877	0.5
111.00887	0.9
112.48250	0.5
113.02431	8.7
115.00365	17.1
117.01948	1.3
133.01422	18.8
134.01712	0.6
135.04517	4.6
135.08139	1.0
137.09740	4.7
145.15663	0.6
155.10773	52.7
156.11084	1.5
174.01736	0.7
175.02522	3.2
175.03815	0.6
179.02069	1.0
179.03491	8.8
181.08635	1.0
184.87234	0.5
185.06059	0.7
187.07668	0.8
189.03967	0.6
191.05602	0.9
197.88664	0.5
199.09746	12.4
201.09048	0.6
208.38983	0.6
229.08704	0.7
231.10287	1.6
249.06097	4.4
267.07196	0.8
273.13406	5.5
275.09235	2.5
374.57501	0.6
375.05151	0.6
387.11331	0.7
387.16766	0.9
449.16611	100.0
450.16992	6.6
565.17413	4.6
565.25562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03444	3.2
58.00582	0.8
59.01376	100.0
60.01702	0.5
61.98827	6.2
69.03456	1.0
71.01378	32.2
71.52158	0.4
72.01697	0.4
72.90403	0.3
72.99302	1.6
73.02940	6.8
75.00828	0.3
83.01382	4.0
83.05031	0.4
84.02160	0.5
85.02946	15.1
87.00863	2.0
89.02438	12.1
89.03013	0.4
95.01376	4.2
97.02957	1.5
97.06622	0.3
99.00886	2.8
101.02437	14.1
110.73701	0.3
111.00886	1.0
112.01669	0.7
113.02444	20.5
113.09697	0.4
115.00352	1.0
115.04019	0.7
119.03497	4.4
123.08188	0.4
124.01659	0.9
125.02432	1.6
127.11282	0.8
131.03494	0.6
133.01439	1.0
135.04543	0.6
137.09702	1.8
143.03468	2.9
149.04616	0.6
153.12817	0.7
155.10780	2.7
157.12372	1.3
159.02992	0.7
161.04573	3.8
171.10231	0.9
173.04474	0.5
173.11838	0.4
179.05594	1.1
183.13846	0.6
191.05614	2.8
201.14925	3.0
211.13371	0.9
229.14468	1.5
230.15208	1.5
253.09209	1.8
283.13519	0.4
291.19797	0.5
302.83060	0.3
309.14838	0.5
327.15964	0.6
327.21719	5.0
335.17038	0.5
341.26929	1.6
357.26474	0.3
359.27991	10.3
360.28259	0.6
371.14905	1.6
401.28931	0.8
447.25833	1.0
455.29950	0.6
473.31036	1.2
485.31308	0.9
503.32224	92.7
504.32587	7.8
521.33276	35.9
522.33484	3.0
545.33496	2.3
563.24994	0.6
563.34296	5.2
564.34308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03449	1.1
58.00594	1.3
59.01377	82.9
60.01704	1.2
61.98828	100.0
69.03475	0.8
71.01378	28.6
71.52001	0.8
72.99307	1.6
73.02941	13.6
75.00878	0.8
83.01384	6.5
85.02942	7.9
87.00879	2.1
87.36217	0.5
88.98807	1.5
89.02442	19.4
95.01396	2.2
96.96017	0.7
97.02931	1.3
99.00859	1.1
101.02436	23.8
113.02448	16.7
114.02757	1.0
115.00357	2.4
119.03489	9.5
124.01673	0.6
125.02417	1.8
131.03493	2.7
133.01434	3.2
135.04510	1.1
137.09647	0.5
143.03484	4.0
143.93161	0.5
149.04520	5.0
153.01892	0.5
155.10712	0.5
161.04546	10.9
162.04803	0.5
171.10223	1.1
177.01875	1.2
179.03366	0.6
179.05582	7.1
191.05603	2.6
201.07396	0.5
203.05627	0.6
209.11736	0.8
211.13318	1.0
212.13609	0.5
221.06700	2.1
230.14792	0.7
248.82114	0.5
253.09088	1.7
254.09599	0.8
317.04089	0.5
327.21759	3.6
328.22076	3.3
341.26642	0.7
359.27576	1.6
360.28146	1.3
361.29214	0.6
371.14459	0.8
372.15060	1.0
455.30261	0.6
457.24136	2.0
503.32272	12.8
504.32562	16.1
505.33725	5.8
521.33191	4.7
522.33679	5.7
523.34686	2.5
564.34027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62722	0.2
55.01874	1.6
57.03447	3.0
58.00591	1.1
59.01376	100.0
60.01714	0.8
61.98825	5.0
69.03452	0.7
69.31266	0.9
69.31693	1.0
71.01377	34.6
72.99304	1.5
73.02944	6.8
75.00875	0.3
82.41271	0.3
83.01382	3.7
84.02178	0.4
85.02943	15.3
86.00111	0.5
87.00867	2.5
89.02437	12.5
95.01390	4.9
97.02934	1.5
97.06590	0.3
99.00880	2.7
99.08150	0.3
101.02439	15.3
102.77456	0.3
111.00893	1.0
111.08193	0.4
112.01690	0.6
113.02442	21.5
113.09684	0.3
115.00391	0.8
115.03977	0.3
119.03497	4.2
123.08167	0.4
124.01664	0.9
125.02437	2.0
127.11301	0.9
131.03450	0.4
133.01440	0.8
133.02942	0.8
135.04529	0.4
137.09711	1.6
143.03494	2.6
145.75996	0.3
149.04565	0.4
153.12863	0.7
155.10779	2.7
157.12358	1.3
159.02994	1.1
161.04558	3.9
169.12321	0.3
171.10228	0.7
173.11740	0.3
177.01941	0.5
178.02823	0.3
179.05640	1.1
183.13928	0.7
191.05559	1.7
201.14970	3.8
211.13268	0.6
217.14447	0.3
229.14503	0.5
230.15225	1.3
244.63623	0.3
253.09218	1.3
264.02692	0.2
317.15964	0.3
327.21729	2.8
335.16989	0.3
339.25348	0.3
341.26871	1.8
357.26334	0.4
359.27988	11.8
360.28116	0.8
371.14948	1.0
383.27710	0.3
401.28934	0.6
415.31363	0.3
429.28168	0.4
433.28461	0.5
447.26202	0.4
455.30170	0.9
467.29953	0.9
473.31274	0.9
485.31070	0.8
503.32220	99.6
504.32526	8.4
506.53824	0.3
521.33246	36.5
522.33728	2.6
545.33356	3.2
546.33850	0.4
563.25403	0.5
563.34326	5.1
564.34698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63384	0.4
53.84879	0.5
55.00613	0.4
57.03440	1.1
59.01380	20.5
61.91330	0.5
61.98806	1.6
70.11222	1.8
71.01380	23.0
71.05025	0.5
72.99302	1.0
73.02938	3.0
83.01381	1.9
85.02944	3.2
87.00867	2.0
89.02428	2.8
93.03452	0.5
95.01388	0.9
96.95999	0.9
99.00886	1.1
101.02451	5.3
113.02460	2.5
115.00370	12.2
119.03460	0.5
125.02461	1.3
128.88153	0.5
133.01439	4.7
135.04478	0.7
143.03494	0.5
153.12770	1.0
160.01605	0.5
161.02423	0.7
181.12347	2.1
191.05653	1.4
193.05054	1.4
199.13383	12.8
221.05977	0.6
237.25172	0.6
238.06519	0.7
241.14317	0.7
249.05536	0.7
250.06274	1.3
251.06999	0.9
253.14534	0.5
261.05475	0.8
278.05820	0.9
279.06619	2.0
282.05307	0.8
293.08109	0.7
294.05469	2.4
297.07581	0.8
307.06131	0.6
308.06787	1.0
309.07678	2.1
322.04791	2.0
323.05618	1.4
324.09860	0.6
325.16577	0.6
336.06381	1.2
337.07187	7.6
338.07864	1.8
343.17612	10.9
344.17740	0.6
351.08673	1.5
352.09586	3.0
353.06537	8.4
353.10284	0.8
361.18625	36.0
362.18991	1.9
368.08932	5.5
383.11334	31.8
384.11731	2.4
403.19669	100.0
404.20065	6.9
563.18054	0.6
571.73621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54691	1.1
55.01868	2.5
57.03437	2.6
58.00602	1.9
59.01376	100.0
61.98817	4.2
69.03427	1.6
71.01379	63.4
71.52219	1.7
72.99310	3.6
73.02942	51.9
75.00858	1.3
81.03434	1.7
83.01384	16.2
85.02931	12.3
87.00875	6.2
89.01878	1.2
89.02438	22.0
93.03438	1.5
94.17667	1.0
95.01377	4.3
96.96008	3.2
97.02955	1.3
99.00900	2.5
101.02437	56.5
108.02190	2.4
109.02966	3.2
112.93707	1.9
113.02441	31.7
114.80040	0.9
115.00380	6.7
115.59271	1.1
119.03500	10.1
121.02953	3.0
122.03686	2.0
123.04500	2.5
125.02424	8.3
129.01965	1.3
131.03467	5.6
133.01416	5.4
133.02931	9.9
134.03691	1.4
135.04523	7.1
137.02356	1.4
143.03517	6.8
144.05856	1.3
149.04568	5.3
150.03209	1.1
155.03526	1.7
159.04485	3.5
160.05309	9.6
161.02451	28.3
161.04533	16.9
161.06010	2.9
172.05272	4.4
173.06036	4.3
175.04019	1.5
175.07639	5.5
177.09169	2.0
179.03473	6.1
179.05556	4.1
187.02406	2.4
187.07584	2.7
189.05569	10.7
190.06317	12.4
191.05589	3.2
199.13402	3.0
205.08685	10.5
221.06560	2.7
228.74190	1.3
250.06514	1.2
253.09006	1.2
266.09512	1.7
278.05731	1.3
279.06677	1.1
281.08118	4.1
295.09750	1.9
296.10535	7.3
297.07635	1.5
311.09561	2.1
311.12866	8.4
322.04733	1.6
323.07779	2.1
326.11710	1.6
329.13776	2.8
337.07083	3.3
341.13904	58.2
342.14230	3.4
343.17520	4.4
352.09598	1.3
353.06598	2.7
361.18723	5.7
383.07129	1.8
383.11319	12.4
401.12503	1.5
403.19669	16.0
404.19815	1.2
433.92715	1.1
503.19150	24.4
504.19327	2.3
520.80524	1.3
521.20404	4.5
563.21167	29.8
564.21735	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	563.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32756	1.4
59.01370	19.9
60.99056	1.4
60.99306	15.3
65.36839	1.1
70.39405	3.5
71.01369	8.8
72.99303	92.9
75.00860	11.7
83.01366	1.6
87.00851	4.8
87.65693	1.3
89.02437	32.6
89.02953	2.4
90.02755	1.7
99.00856	2.3
101.02391	6.4
102.73288	1.2
105.01920	6.3
113.02470	1.5
114.02512	1.2
115.00360	21.3
117.01928	7.8
119.03460	2.4
133.01425	100.0
134.01733	1.6
142.99995	1.6
145.01422	48.3
153.03329	1.2
160.46799	1.1
179.05576	3.2
179.07014	1.4
182.97020	1.6
221.03006	29.9
341.10931	9.5
446.32260	1.4
503.16815	1.4
563.15973	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	563.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73041	1.5
52.90970	1.4
54.29552	1.3
58.00576	1.5
59.01377	28.4
60.99307	11.5
62.52162	1.5
65.02422	1.8
70.06329	2.0
70.06725	3.4
71.01377	10.9
72.99303	65.7
75.00874	26.9
79.88771	1.3
83.01376	1.8
87.00859	7.3
88.98779	2.9
89.02441	30.5
93.28503	1.5
97.32035	1.5
99.00874	3.5
101.02423	1.8
105.01939	3.8
113.02406	1.6
114.99574	2.7
115.00371	48.0
117.01939	12.8
119.03424	1.3
119.05005	2.6
127.00401	2.2
133.01422	100.0
135.04517	3.8
145.01416	71.0
146.32111	1.4
147.02945	1.6
155.79744	1.3
163.03967	1.4
177.03981	1.8
179.03442	4.2
179.05554	1.8
191.01933	1.9
191.05630	7.2
221.03032	28.7
221.06361	1.7
245.44662	1.6
341.11035	1.8
432.67664	1.5
503.16089	4.3
563.15869	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	563.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14383	1.0
56.37201	1.0
57.03435	1.1
59.01375	23.8
61.98824	5.7
67.07282	1.0
69.57921	4.4
69.58334	2.3
71.01376	9.7
72.95100	1.1
73.02941	4.1
83.01403	2.5
85.02924	2.3
89.02449	2.8
101.02418	5.2
109.02951	3.6
113.02429	4.7
113.52554	1.1
115.00375	1.5
121.02931	3.7
125.02422	1.0
133.01407	1.5
135.04543	1.3
151.00363	1.3
153.27095	1.0
155.76595	1.2
161.04532	1.5
163.00354	1.1
165.01930	10.1
174.73174	1.1
191.05580	2.2
193.01384	1.8
199.04004	2.3
215.03482	1.7
226.02582	1.4
227.03468	3.2
243.02911	6.0
255.02930	1.7
267.22815	1.1
269.04587	1.6
270.01654	1.3
271.02451	70.1
272.02893	3.0
285.03918	1.9
299.01920	99.4
300.02509	12.1
314.04291	98.2
315.05038	47.7
316.05185	1.5
327.21930	1.2
357.48929	1.1
359.27841	1.5
446.24634	6.0
447.24814	2.2
477.10196	5.3
503.32037	13.8
519.11407	100.0
520.11920	7.4
521.33191	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	562.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63214	0.3
59.01375	20.2
61.98825	100.0
68.59703	0.3
70.58353	0.3
71.01378	6.8
72.99313	0.3
73.02943	3.2
82.84013	0.3
83.01388	1.1
85.02946	2.0
87.00883	0.3
88.98813	0.4
89.02460	1.5
93.03409	0.4
98.19947	0.8
101.02429	5.4
112.98584	0.4
113.02436	2.2
115.00378	1.0
119.03519	0.7
125.02397	0.6
133.02975	0.6
134.03680	0.5
141.09271	0.3
143.03516	0.4
149.04472	0.4
161.04536	1.7
163.04088	0.3
178.02754	0.5
179.03508	0.4
179.05455	0.3
191.05652	0.6
233.15443	6.6
233.17786	0.5
234.15775	0.4
242.00130	0.3
299.01978	0.5
304.01944	0.3
314.04498	0.6
377.19800	0.9
395.20624	4.6
402.19586	0.4
413.21762	2.8
455.22952	1.8
503.32401	0.6
519.11481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00322	0.3
61.79134	0.3
61.98826	100.0
69.62302	0.7
69.62721	1.1
71.13506	0.3
83.01398	0.5
84.18546	0.3
99.00866	0.7
100.85066	0.3
109.02948	1.8
111.00941	0.3
115.00399	0.8
121.06618	0.4
131.72086	0.3
135.04527	1.0
139.00352	1.5
139.64937	0.3
140.60579	0.3
145.52528	0.3
149.06070	9.4
159.04485	0.6
161.02449	1.6
161.06088	0.8
163.03984	0.7
163.96570	0.3
165.01895	1.4
165.05585	0.6
175.04012	1.1
177.01962	1.3
187.04053	0.5
188.04813	0.6
191.03481	0.4
193.05063	1.8
198.47356	0.3
203.07140	0.6
219.02940	4.2
220.03220	0.4
221.04602	0.4
229.04994	0.5
231.03056	0.9
231.06657	1.2
233.04555	1.8
237.04018	6.3
247.06171	0.4
259.02420	4.0
275.05524	0.7
277.03564	0.9
293.06754	0.7
319.04605	0.9
337.05603	13.9
338.06177	0.6
381.08392	0.9
396.86285	0.3
399.09467	0.9
437.11395	0.3
439.08948	0.9
481.09839	28.6
482.10327	2.1
499.10895	10.2
500.11533	0.5
562.10596	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	561.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73240	2.3
58.92158	2.3
59.01075	2.7
59.01376	59.3
61.98824	65.4
71.01373	29.4
71.51557	3.2
73.02927	3.5
85.02952	7.0
87.00875	2.9
88.98801	3.4
89.02442	14.5
96.95996	29.4
97.06606	8.0
99.08128	2.6
101.02441	17.0
103.26620	2.3
112.48683	2.4
113.02430	6.6
115.00359	8.6
121.10217	14.8
125.06067	6.4
133.01381	6.7
134.03728	3.7
143.07130	62.7
161.04485	7.9
167.10779	3.3
171.10236	11.9
178.02599	5.0
179.03387	2.7
181.14978	2.7
191.05594	7.0
202.69545	2.5
203.17972	12.2
209.11720	4.9
235.08319	4.4
247.14473	4.2
247.16997	80.3
248.17494	2.5
253.09244	87.2
254.09683	2.5
265.18054	100.0
266.18384	3.2
445.27393	3.0
543.48877	2.7
561.27032	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	559.2215
Annotation	(+)-1,2-Dehydrotelobine
Peak:m/z	Relative Intensity
57.03428	0.5
58.09247	0.3
58.99591	0.5
59.01373	10.0
61.98824	2.0
64.57540	0.3
66.25323	0.3
71.01381	5.1
71.51527	0.4
71.52029	0.4
72.99303	0.6
73.02929	1.4
75.00895	0.3
79.95723	3.7
80.96524	1.7
83.01392	0.4
85.02940	1.9
89.02444	0.7
95.95224	2.4
96.96004	52.8
97.02946	0.5
101.02443	2.1
102.98590	2.8
113.02416	1.3
115.00385	1.5
119.05015	0.3
120.99694	0.6
122.97581	0.6
125.02442	0.3
133.01422	2.2
133.02956	0.7
134.03661	0.6
135.04518	1.2
138.97067	1.4
150.97044	1.4
171.10193	0.5
177.01900	0.4
178.02708	0.9
179.03494	1.1
180.98167	0.9
211.13438	0.3
241.00211	3.4
295.71768	0.3
325.47647	0.3
433.15268	0.9
449.18515	0.8
461.19156	0.4
517.21185	0.4
531.22827	0.7
559.22205	100.0
559.30975	10.8
560.22498	10.1
560.31262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
58.61951	0.4
59.01376	34.1
61.98816	1.8
62.61098	0.5
62.64180	0.5
64.38176	0.4
71.01378	8.4
71.05031	0.8
71.51612	0.6
72.99277	0.8
73.02941	1.9
79.17142	0.4
79.95744	0.9
83.01397	0.5
85.02957	2.2
87.00876	0.9
89.02435	3.8
95.95247	0.6
96.02276	0.5
96.96007	11.5
97.02949	0.7
97.06581	0.6
101.02431	5.6
109.02938	0.5
111.46088	0.4
113.02451	3.5
115.00398	2.8
116.03265	0.4
119.03506	1.8
119.04998	0.4
125.02396	0.5
133.01408	2.5
133.02948	1.6
135.04509	1.7
143.03513	0.5
148.08945	1.3
150.10561	0.5
151.11287	0.6
155.69090	0.4
161.04462	2.3
163.11295	2.0
165.12837	16.6
166.13148	0.6
177.01923	0.8
178.02705	1.6
179.03442	1.6
179.05603	0.8
181.01814	0.4
189.12831	0.9
191.05597	0.5
191.14415	5.5
199.16951	0.6
209.11810	0.7
213.24130	0.5
219.17523	5.7
227.14522	0.6
245.15427	6.6
253.09273	26.9
254.09651	0.9
263.16489	100.0
264.16791	3.8
277.21671	0.7
443.30060	0.6
459.07071	0.5
515.28424	1.2
549.00104	0.5
559.22064	15.1
559.30859	7.8
560.22742	1.0
560.31421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59980	0.1
59.01381	0.8
61.98827	100.0
62.98534	0.8
62.99244	0.3
63.47350	0.1
63.96231	0.2
63.99269	0.2
69.03448	0.2
69.47517	0.5
69.47925	0.3
71.01382	1.7
71.35181	0.1
73.02948	0.5
73.24563	0.1
74.99491	0.1
78.98582	1.5
79.95732	2.1
80.96513	13.3
81.03453	0.3
83.05003	0.1
85.02936	0.5
87.00871	0.5
88.98824	0.6
89.02458	0.2
94.98077	3.6
96.96001	0.3
97.02946	0.3
99.04490	0.2
101.02448	0.7
106.98109	0.8
113.02451	0.2
115.00358	0.4
122.06171	0.1
122.97581	0.8
125.02435	2.2
127.04014	0.2
133.01460	0.8
134.97591	1.0
136.99120	0.3
148.99132	1.6
152.07182	0.2
152.98602	1.1
164.98616	2.9
167.00223	0.1
179.00003	0.1
187.02472	0.9
187.65921	0.1
206.99716	0.6
209.11858	0.6
225.00719	4.2
298.25031	0.1
299.04294	0.6
310.93637	0.1
399.15384	0.3
497.30466	0.2
498.30634	0.7
499.30579	0.4
527.17889	1.1
559.20599	29.1
560.20789	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78087	0.3
57.03435	0.4
59.01369	2.1
61.98825	0.8
63.96230	0.8
65.97436	0.3
67.79726	0.4
69.03460	0.7
70.59902	0.7
70.60272	0.7
71.01379	7.2
72.33754	0.4
72.99303	0.4
73.02938	1.6
78.98585	3.6
79.95728	7.3
80.96512	50.8
81.03451	0.8
83.01381	0.4
85.02935	2.6
87.00865	2.5
89.02435	0.4
94.61404	0.3
94.98081	13.0
95.01366	0.4
96.23552	0.3
96.96006	1.7
97.02946	1.7
98.19945	0.4
99.00869	0.6
99.04534	0.4
101.02431	2.9
105.01955	0.5
106.98078	2.9
113.02463	0.6
115.00359	1.5
122.97579	4.7
125.02451	3.2
127.04075	0.8
133.01425	1.4
133.02946	0.3
134.97604	4.2
135.04492	0.5
136.99142	1.4
139.50392	0.4
148.99132	3.7
152.98628	5.7
161.04510	0.5
164.98605	9.7
167.00165	0.5
169.44812	0.4
182.99677	2.2
188.98553	0.4
206.99637	2.6
209.11804	3.0
225.00732	16.6
226.00981	0.4
243.01758	1.9
298.04080	0.3
299.04324	2.2
361.18774	0.4
382.24899	0.4
527.18243	2.0
559.20593	100.0
560.20953	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	557.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12037	0.1
55.45348	0.1
59.01379	0.3
61.91323	0.1
61.98829	100.0
62.98518	0.2
69.25937	0.7
69.26347	0.2
71.01406	0.2
73.02947	0.2
78.95920	0.6
98.19931	0.3
99.92586	0.3
115.73807	0.1
116.92856	2.5
117.01958	0.3
128.47183	0.1
152.99591	0.3
213.90152	0.1
224.06920	0.2
255.23251	1.7
256.23651	0.6
257.23984	0.5
258.24252	0.2
277.21750	0.2
296.12238	0.1
415.21658	0.1
444.17902	0.1
480.30853	1.2
481.31357	0.2
482.31744	0.2
483.31812	0.6
529.71429	0.1
557.31604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22810	0.1
54.27889	0.1
59.01379	0.2
61.98827	100.0
69.26192	0.7
71.01383	0.5
73.02956	0.1
74.39730	0.1
78.98592	0.3
79.95754	0.3
80.96510	3.1
83.05013	0.1
84.05362	0.1
85.02957	0.1
87.00922	0.2
94.98100	0.7
96.96053	0.1
97.02991	0.1
98.19859	0.2
101.02475	0.1
106.98118	0.2
122.97556	0.1
125.02471	0.3
133.01466	0.2
134.97577	0.2
145.63641	0.1
148.99153	0.3
149.00293	0.1
152.98634	0.2
159.10277	0.1
164.98630	0.6
206.99722	0.1
208.09642	0.1
209.11848	0.1
225.00745	0.9
299.04477	0.1
364.08423	0.1
498.30576	0.9
527.18494	0.2
558.29358	0.1
559.20581	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	556.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01378	43.2
61.98831	1.7
70.83173	0.7
71.01379	16.7
71.05013	4.0
77.03976	0.4
80.96523	0.7
83.05061	0.3
87.00861	0.6
89.02489	0.4
93.03455	0.8
95.05015	0.5
97.06602	0.5
101.02469	0.6
105.03462	1.6
114.09290	0.5
115.00364	13.1
115.07645	9.4
121.02958	2.0
127.11305	0.4
128.10829	0.6
131.29715	0.3
133.01439	6.2
133.02966	11.8
134.03780	4.3
135.04523	5.0
137.02425	4.1
138.09238	0.4
139.04010	1.4
139.11288	0.5
145.06595	1.0
149.02489	0.4
150.03133	0.5
156.10272	10.1
158.11853	12.6
159.04573	0.4
165.12872	1.3
167.10777	1.1
177.01923	6.1
177.03360	0.5
178.02696	15.1
179.03467	4.4
180.03905	0.3
183.13885	6.8
185.11852	1.3
189.05576	0.8
195.17543	1.0
197.15440	9.5
207.10320	0.3
209.11841	1.0
211.13452	0.9
217.05055	0.8
219.17596	0.6
221.15414	1.0
227.06787	0.3
228.16139	0.4
237.18620	2.7
237.22145	2.2
239.16495	10.9
252.19577	0.5
281.17648	0.7
281.20914	0.3
299.18674	1.7
309.14734	0.5
324.21793	1.1
327.16083	0.5
334.31677	0.4
342.22708	2.0
392.44891	0.3
440.30112	100.0
441.30478	7.9
519.64752	0.4
556.24438	0.4
556.32233	0.7
562.71649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01379	44.7
60.01734	0.6
61.98833	3.1
71.01376	23.3
71.05019	5.0
71.52163	0.7
79.95737	0.6
80.96516	0.7
81.31636	0.4
85.02954	0.7
87.00854	0.5
89.02449	1.0
95.05039	0.9
96.08187	0.9
96.95982	1.2
97.06583	1.1
101.02422	0.9
105.03496	1.5
105.98988	0.5
111.08198	0.6
113.02471	0.8
115.00365	17.1
115.07659	2.8
125.09695	0.6
127.11292	9.4
133.01451	6.4
133.02953	10.5
134.03760	5.8
135.04558	4.7
137.02449	4.6
139.04037	1.3
139.11275	7.0
145.06573	1.0
149.64771	0.5
151.11285	1.8
153.12833	0.8
158.11885	0.7
161.09654	0.7
164.14383	0.8
165.12823	1.5
167.10741	0.8
169.12331	33.4
170.12634	1.0
177.01933	4.8
178.02713	15.5
179.03409	4.6
179.10764	0.6
182.15459	2.4
183.10307	3.9
183.13879	12.8
183.15408	0.9
185.11819	11.1
189.05533	0.9
194.15485	1.1
197.11839	5.9
201.11307	17.5
202.11716	0.8
208.13417	6.5
209.11804	5.8
209.48380	0.5
210.15015	0.7
211.13437	1.0
212.16547	1.4
217.05101	1.0
224.16699	1.1
226.14540	2.0
226.18143	1.3
227.12816	1.4
228.16020	9.5
232.13385	0.6
237.22238	2.8
239.16505	0.7
241.10716	0.7
245.13977	2.0
250.14537	1.2
252.12373	10.9
253.12695	0.7
270.17010	0.5
288.18250	1.8
303.48257	0.5
315.14212	0.7
319.22797	5.5
321.24509	0.9
337.23834	4.3
342.22937	2.2
380.27924	0.5
396.27228	0.9
440.30228	100.0
441.30487	8.0
452.04001	0.5
487.46240	0.5
525.27124	8.0
556.27826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70799	1.2
50.94394	1.3
57.03447	3.6
59.01375	10.5
61.98823	6.3
69.89297	5.8
71.01381	40.6
71.05013	16.2
73.02956	1.2
74.02464	1.8
78.40472	1.2
79.25037	1.2
79.95729	2.1
80.96511	2.1
81.78739	1.7
85.02924	1.6
96.08181	1.6
96.95986	1.5
97.06593	2.4
98.20569	1.8
101.02481	1.3
105.03446	3.3
110.06103	4.5
111.00877	1.7
111.08152	2.6
114.91295	1.4
115.00362	22.7
119.77109	1.3
121.02942	2.6
122.06139	3.1
127.11286	12.6
133.01428	12.1
133.02950	20.5
134.03802	9.2
135.03825	1.1
135.04549	10.7
137.02446	6.5
139.11284	41.1
140.07144	1.5
140.10762	1.6
145.06622	2.6
151.11314	1.7
153.12839	1.8
164.14476	1.7
169.12331	100.0
170.12666	2.8
177.01936	7.9
178.02689	25.3
179.03496	10.9
179.10744	3.1
183.10237	15.1
185.11819	2.0
189.05525	1.5
194.15463	4.2
196.13412	2.2
197.11812	10.9
201.11308	81.2
202.11673	2.6
208.13411	16.3
209.11888	9.3
210.33961	1.4
211.13397	1.9
213.14903	2.3
217.04993	1.9
227.12766	2.2
238.14539	1.9
240.12408	3.9
241.10684	1.8
250.14398	1.5
252.12384	50.7
253.12628	2.4
255.16048	2.9
256.16034	1.4
315.14542	2.0
319.22809	8.2
321.24112	1.8
327.15894	1.8
337.23853	13.8
338.24359	1.5
378.26236	2.7
396.27469	4.1
422.25409	1.6
440.25821	21.2
525.27148	16.3
556.26990	2.6
557.29279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.1
61.98835	4.5
70.36158	1.3
71.01382	11.3
72.99281	0.9
72.99930	0.9
73.02936	1.6
76.14338	0.7
78.95907	1.1
80.02697	1.1
81.03448	1.1
83.01391	1.3
83.05013	3.9
85.02954	1.1
87.00882	1.2
88.98775	0.9
89.00789	0.7
89.02439	4.1
96.96020	5.0
98.19939	0.8
98.57221	0.8
101.02438	4.1
112.58090	0.8
113.02466	2.4
115.00375	8.3
119.03490	2.1
125.02408	1.0
133.01437	8.4
135.04527	4.0
150.23419	0.7
155.19820	0.7
158.92157	0.8
159.04474	1.0
161.04489	1.5
163.11247	3.6
165.12863	1.6
179.03458	3.1
179.05536	0.9
181.73309	0.8
191.05548	1.3
191.10719	1.0
209.11812	100.0
210.12187	3.6
227.12862	13.1
253.09256	13.5
283.13315	0.9
315.74335	0.8
327.16089	0.9
371.14798	1.6
434.37073	0.8
445.20844	2.7
452.11359	2.1
463.21622	0.9
482.94739	0.9
495.29916	1.6
509.84302	0.9
555.25287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65027	0.8
59.01373	14.2
61.98825	7.6
62.89492	0.8
62.89856	0.8
67.21129	0.9
71.01371	9.4
71.51290	1.1
71.51654	0.9
72.99305	2.0
73.02920	1.3
76.23512	1.0
80.02688	0.9
81.03452	1.0
82.06542	0.8
83.05019	5.5
83.48006	0.8
85.02936	1.5
85.34956	0.8
87.00848	1.3
88.98790	2.0
89.02447	3.1
93.03471	1.3
95.05011	0.9
96.96017	2.0
101.02438	5.1
108.02164	1.0
113.02452	1.5
115.00349	5.1
119.03532	1.5
119.04995	2.8
121.02941	2.1
121.18073	0.9
125.02454	2.0
128.03575	1.0
129.55075	0.9
133.01434	6.1
133.05338	1.4
134.06125	1.7
135.04506	14.5
136.01659	8.0
137.02327	1.4
151.00403	1.2
151.04008	7.6
152.04373	2.8
153.01924	0.8
159.04407	1.3
159.10214	1.5
160.04062	1.8
161.04491	2.5
163.04057	1.1
163.11255	3.5
165.12946	1.2
179.03514	11.9
179.05118	1.4
179.05557	1.1
181.05135	1.3
191.10783	1.4
209.11813	100.0
210.12041	4.1
227.12837	17.8
253.09250	13.8
271.02444	2.0
283.05750	1.1
285.14008	1.0
299.01944	2.5
313.10522	2.4
314.04218	2.4
328.12622	1.4
339.08600	1.4
396.60471	1.2
401.14185	1.4
445.20728	2.9
455.11545	1.1
489.12506	1.1
495.22940	1.3
495.29645	14.0
519.18469	9.0
537.19568	9.5
555.16321	1.1
555.33948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2839
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.09129	0.3
59.01375	0.7
61.60268	0.3
63.96229	0.9
69.03434	0.5
69.85269	1.1
71.01377	5.8
73.02960	1.4
78.98586	4.9
79.95737	7.3
80.96513	51.1
81.03449	0.7
85.02940	2.4
86.84860	0.3
87.00865	2.1
94.98078	13.0
96.96006	1.3
97.02946	0.8
98.19870	0.3
99.00844	0.4
101.02448	2.5
106.98093	2.2
113.02452	0.4
122.97575	3.8
125.02435	2.4
127.03996	0.6
134.97588	4.1
136.99127	1.3
137.97955	0.3
148.99135	4.3
152.98628	5.6
163.60329	0.3
164.98624	9.2
167.00119	0.3
182.99640	1.5
206.99628	3.1
225.00723	15.6
243.01767	1.2
255.23288	2.8
299.04404	2.9
317.05554	0.4
371.97076	0.3
512.11322	0.3
549.52216	0.3
555.28387	100.0
556.28674	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02145	1.6
57.03452	3.4
59.01377	100.0
60.59215	1.6
61.98829	35.8
70.59188	4.1
70.59534	2.0
71.01378	67.6
72.99291	5.9
73.02937	30.7
78.95908	2.5
81.38529	1.8
83.01396	9.9
83.27717	1.7
85.02943	12.8
87.00872	7.7
87.04518	2.5
88.58202	1.6
89.02427	12.2
93.03419	3.0
95.01315	2.3
96.95997	10.8
99.00871	2.1
99.04485	2.0
101.02431	39.5
113.02435	15.4
115.00368	30.0
115.63681	1.7
119.03471	4.1
119.04986	2.4
121.02895	2.1
122.03728	4.4
123.04495	2.9
125.02452	4.0
128.03508	2.5
130.08821	2.2
131.03517	2.9
133.00471	2.7
133.01428	35.6
133.02954	3.9
134.01839	1.8
135.04526	12.3
137.02406	1.9
143.03476	3.4
147.04480	3.1
149.02397	4.3
149.04475	4.0
150.03210	30.0
159.04562	3.6
159.23029	1.9
160.05219	5.0
161.04523	12.1
161.05896	3.7
163.03899	1.7
164.78300	2.0
165.05542	31.5
168.07918	9.5
171.04488	3.3
173.06079	3.4
175.04041	2.0
175.07628	4.7
177.05473	3.6
179.03433	7.5
180.04178	2.6
184.62988	2.0
187.07567	3.4
191.05505	2.4
195.06606	17.6
200.08269	2.2
201.09105	5.5
209.11884	2.2
217.08696	2.3
229.14374	4.0
247.09650	3.5
248.10599	2.0
249.11264	2.7
271.02521	4.3
271.16946	5.4
283.13461	4.4
299.01865	6.8
300.02225	2.2
311.12933	4.2
314.04285	8.0
315.04926	2.1
327.15826	3.4
329.13867	9.9
339.08652	3.1
345.16946	4.2
359.18747	2.2
371.14899	11.9
389.16119	2.8
403.17633	3.1
407.16943	2.9
421.18616	2.4
433.22263	9.7
439.19553	3.0
451.23053	4.0
457.32516	1.8
477.19125	10.6
493.24289	37.2
494.24661	4.1
495.29721	2.8
496.61523	2.5
511.25317	3.4
525.20251	2.7
525.27008	11.4
555.20508	2.9
555.28235	46.3
556.28528	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.81630	1.1
56.01866	1.1
58.00586	1.3
59.01375	100.0
61.98830	4.9
63.37198	0.9
71.01378	33.3
71.05018	2.5
71.42832	1.8
72.99289	3.7
73.02558	1.9
73.02940	24.2
78.95905	1.3
83.01385	9.6
85.02959	6.8
87.00872	4.6
87.04498	7.8
87.70359	1.0
89.02438	13.6
95.01395	2.0
99.00887	2.4
99.04510	1.9
101.02436	36.3
113.02443	11.3
115.00366	11.2
116.06116	0.9
119.03447	5.4
121.06439	1.2
125.02420	2.4
127.03988	2.9
131.03453	2.3
133.01411	15.1
133.23763	1.0
135.04497	2.0
136.70221	1.3
143.03458	3.7
149.04546	2.8
149.05989	1.0
151.03990	1.2
152.99533	1.8
155.03471	1.4
161.04546	9.9
168.07881	4.5
171.04478	2.4
173.06055	1.4
175.07547	2.3
179.03448	1.1
187.03882	1.2
187.07594	3.0
193.96288	1.0
194.95541	1.2
199.07607	1.7
200.08360	2.3
201.09151	3.6
214.06221	1.2
215.07117	1.2
221.06696	1.1
229.08685	1.2
247.09673	3.1
249.11226	1.4
271.16995	5.4
283.13416	2.4
289.17874	1.3
293.08337	1.0
297.15149	1.1
327.15955	1.7
345.17413	1.3
363.18008	1.1
371.14774	3.7
377.19724	5.0
389.15948	4.6
403.17892	1.5
407.17139	2.8
421.18567	1.7
425.25262	2.2
433.22116	6.3
439.19571	1.8
451.23425	4.8
452.23471	1.4
469.24786	1.0
493.24350	28.8
494.24698	3.5
511.25317	11.2
525.26135	1.5
535.23663	1.1
546.24866	1.2
555.25916	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	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04855	0.3
59.01380	0.6
61.98817	1.8
71.01392	0.3
72.92068	0.3
78.95901	5.7
81.54288	0.3
90.91586	0.3
91.99204	0.4
152.99576	1.0
165.39601	0.3
168.04303	1.3
224.06943	0.9
242.08012	2.7
262.28552	0.3
274.94339	0.3
279.23264	100.0
280.23660	5.8
310.21405	0.3
337.73962	0.3
504.30927	41.2
505.31268	4.1
555.35284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.69942	0.4
61.98823	3.6
62.73963	0.4
63.57529	0.4
69.37543	3.4
71.01371	1.1
78.95898	23.3
80.96502	1.9
92.43081	0.4
94.98097	0.4
98.20641	0.6
99.20638	0.5
100.43854	0.5
108.50936	0.5
126.41336	0.4
133.01451	0.6
134.46947	0.5
150.49855	0.4
152.99597	2.8
164.98473	0.6
168.04312	3.5
224.06902	9.2
226.01302	0.6
242.08020	2.4
261.22235	0.4
279.23267	100.0
280.23605	5.2
299.46695	0.4
504.30933	80.6
505.31284	7.2
554.27124	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	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59774	0.2
59.01377	21.2
61.98816	0.3
65.90055	0.2
68.80160	0.2
69.97613	0.9
78.95900	17.7
79.31785	0.2
80.03341	0.2
80.96487	0.5
85.38400	0.2
91.57885	0.2
96.96976	0.2
112.98554	0.2
122.98497	0.4
123.72768	0.2
152.99565	2.6
168.04309	3.0
224.06911	7.3
237.22337	0.2
239.32895	0.2
242.07970	1.6
255.23270	100.0
256.23621	5.5
389.36893	0.2
480.30917	70.7
481.31223	6.2
554.27203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64784	1.6
59.01376	100.0
61.98822	6.7
66.26405	1.7
71.01379	40.6
71.04991	2.1
71.50650	1.5
71.51201	2.2
72.99307	5.3
73.02934	27.9
83.01392	9.9
85.02951	9.2
87.00880	7.1
87.04498	10.1
89.02441	13.9
96.96039	1.7
97.02974	1.9
98.51101	1.5
99.00862	1.9
99.04494	1.8
101.02434	38.6
102.42117	1.7
113.02452	13.7
113.06162	1.6
115.00369	15.5
119.03493	5.6
125.02428	2.9
127.03935	1.6
128.03543	1.9
131.03482	2.1
133.01427	20.0
135.04523	4.6
137.02460	2.0
143.03514	3.3
149.04532	4.2
153.07387	2.2
161.04517	9.6
161.05698	1.7
168.07944	3.6
173.05960	3.2
175.07646	1.8
179.03467	1.7
187.07610	3.1
191.05646	2.7
201.05580	1.8
201.09195	5.2
202.06245	2.1
209.11705	1.7
217.08662	3.0
230.01616	1.6
231.10193	1.7
247.09744	3.8
271.16989	5.2
279.12280	2.4
283.13336	5.9
289.18430	1.8
301.14496	1.6
311.12888	3.6
327.15973	4.5
327.21472	2.3
335.08395	1.6
345.16968	2.7
359.18634	1.8
371.14975	5.5
377.19684	5.5
389.16031	3.0
403.17749	2.7
407.16980	2.5
421.18414	2.3
433.22342	6.4
439.19849	2.0
451.23383	5.3
471.61795	1.5
493.24347	29.0
494.24451	1.9
511.25244	9.2
555.25360	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	554.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89901	0.7
57.03446	7.6
59.01382	7.4
61.98835	6.3
70.01158	3.8
71.01383	13.4
71.05016	2.4
96.08184	11.8
98.19742	0.8
101.02448	0.9
104.63297	0.8
111.08145	1.7
113.06071	2.2
115.00371	9.2
118.37919	0.8
120.08121	1.2
125.09706	6.4
133.01465	2.3
139.11273	32.4
143.10742	1.5
151.11354	0.8
166.12375	1.4
169.12376	1.4
170.00064	1.0
183.10240	12.1
185.11755	1.6
194.11807	2.6
201.11299	15.4
208.13391	1.0
210.14966	22.3
226.14459	8.7
254.14001	4.1
271.19153	1.7
280.19183	1.1
347.46021	0.9
394.25870	2.3
438.24854	100.0
439.25244	7.8
554.25726	2.5
555.27606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81678	0.4
59.01372	3.0
61.98825	100.0
65.03969	0.9
65.81251	0.4
67.01884	0.8
69.57711	2.5
71.01389	1.7
73.08287	0.5
87.00864	0.5
89.02415	0.6
91.01885	17.6
108.02189	0.7
109.02941	9.2
115.00360	1.0
121.02988	0.6
133.01450	1.4
133.02946	0.6
135.00873	62.3
136.01181	1.0
137.02452	1.7
149.02455	0.7
153.01921	40.4
154.02336	0.6
161.02472	0.8
175.03899	0.7
177.01926	1.6
189.01781	0.6
223.01595	0.5
225.38123	0.5
243.06691	0.7
250.05762	0.5
279.05148	0.9
297.06146	1.0
298.36023	0.6
310.23016	0.5
339.07162	71.8
340.07474	3.1
364.42969	0.6
427.85519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98840	1.4
71.01390	3.1
71.42545	1.0
94.06612	5.1
101.02409	0.8
106.06635	1.0
107.03767	12.3
115.00380	1.5
120.04523	1.1
122.06116	59.2
123.06492	1.3
124.07680	2.0
132.04494	1.0
133.01410	2.3
134.06131	2.8
135.04523	0.9
139.02768	3.2
144.15126	0.7
150.05547	1.0
152.07166	100.0
153.07549	2.0
190.05106	1.0
192.06703	0.8
210.07816	1.7
213.10315	2.4
221.07225	0.9
222.07915	1.7
225.06622	2.2
225.10341	1.6
235.08632	1.4
237.06612	2.6
237.10309	11.4
238.07468	3.7
238.09052	1.1
239.08183	2.0
241.09735	0.8
247.08644	1.1
248.05777	0.8
250.07364	1.0
251.04512	1.2
251.08199	6.2
252.05312	1.3
252.08994	1.6
253.09775	8.2
263.08249	2.1
265.06189	8.2
265.09558	5.1
266.06949	17.2
266.09680	1.3
267.07434	1.2
275.11176	0.8
277.06113	0.8
278.06976	6.4
279.07632	4.4
280.08478	6.9
281.09290	89.1
282.09573	4.8
283.10760	0.8
284.08136	1.4
293.09302	44.0
294.09818	4.5
313.11923	10.5
325.11810	1.3
355.13235	1.2
394.13742	2.4
398.36896	0.7
402.18228	3.2
417.13376	0.9
418.17719	5.0
446.17163	82.8
447.17410	8.1
475.18219	0.8
478.19830	28.5
479.20105	3.5
490.16135	42.9
491.16141	3.8
522.18774	98.4
523.19287	8.4
554.20703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01367	4.0
61.98829	8.4
67.12771	0.8
67.50478	0.8
71.01389	6.4
71.50989	0.8
71.51434	1.5
72.99322	1.1
87.00854	1.4
94.06606	4.2
96.95989	6.6
101.02433	1.6
107.03770	9.7
109.02968	0.9
115.00372	5.7
122.06119	48.9
124.04056	2.1
132.04558	3.4
133.01405	5.1
134.06099	3.8
135.04535	4.4
138.05583	1.0
139.02751	2.6
150.05591	1.6
152.07162	100.0
153.07535	3.3
160.04070	1.3
163.04047	1.2
166.05080	13.8
167.05487	5.7
168.05659	2.1
176.03487	1.6
177.62732	1.0
179.03412	2.3
181.04596	0.9
184.06152	1.4
190.05034	4.3
192.06656	2.3
201.33386	1.0
210.09201	1.4
213.10329	6.3
222.07944	2.1
225.06700	2.8
225.10345	2.3
237.06680	1.4
237.10312	18.4
238.07364	1.7
239.08287	2.2
251.08218	3.7
251.35202	0.9
252.05388	1.0
253.09764	8.2
254.10519	1.2
263.08240	2.0
265.06058	6.0
265.09796	2.3
266.06927	12.9
267.07327	1.3
278.06949	4.3
279.07742	3.1
280.08511	4.8
281.09286	61.2
282.09662	3.1
293.09299	25.2
294.09860	2.8
313.11932	10.7
325.11798	1.9
341.11377	2.1
355.12848	4.0
357.14899	1.1
378.18121	1.1
394.13675	1.5
402.18140	8.4
418.17584	3.1
438.12720	2.2
446.17181	38.0
447.17392	2.9
478.19794	60.4
479.20126	3.8
490.16132	16.8
491.16626	1.2
504.18243	1.3
510.22406	19.3
511.22766	1.5
522.18768	85.9
523.19116	7.7
532.10425	1.1
554.21344	22.6
555.21667	3.1
556.08978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.265
Annotation	Klymollin E
Peak:m/z	Relative Intensity
55.01872	1.7
57.03437	3.8
58.00582	1.0
59.01375	100.0
60.01722	0.3
61.98830	0.3
67.01903	0.5
68.99814	0.8
69.03451	2.9
69.24226	0.3
71.01376	25.9
71.05019	1.5
71.55673	0.3
72.02162	0.3
72.99304	2.3
73.02941	9.3
75.00867	0.7
81.03452	1.8
83.01384	9.6
83.05025	0.9
84.02189	0.5
85.02945	12.4
85.06553	0.6
85.11079	0.2
86.00069	0.7
86.03285	0.3
87.00873	3.7
87.04506	1.5
89.02440	8.1
89.66048	0.2
93.03459	0.6
95.01382	3.4
95.05044	0.7
96.08198	0.7
97.02947	4.1
97.06604	0.6
98.19900	0.7
99.00869	4.9
99.08174	0.6
101.02435	10.8
101.06104	0.8
107.01386	0.3
107.05034	0.6
109.02961	1.0
109.06584	0.6
111.00882	3.4
111.04520	1.1
112.01682	1.3
113.02442	13.6
115.00392	0.6
115.04005	0.3
115.07658	0.4
119.03522	0.7
119.05046	0.3
121.02971	0.5
123.00860	0.4
123.04540	0.6
123.08179	0.4
124.01688	0.9
125.02451	6.4
125.06075	0.4
125.09762	0.4
125.37270	0.2
127.04024	0.3
131.03491	4.3
133.06540	0.5
135.04533	0.5
137.02480	1.0
137.06175	0.3
137.09753	0.3
139.04047	0.3
139.11279	1.3
141.01923	0.5
143.03488	4.1
147.04568	0.3
149.04558	0.6
151.04004	0.3
155.03499	0.6
159.03011	0.3
161.04585	2.1
161.06029	0.4
165.09138	0.3
173.04538	0.6
179.05634	0.5
183.10287	0.6
201.11362	0.8
203.05655	0.3
205.15872	0.4
208.67125	0.3
210.15025	0.6
217.15968	0.5
233.15559	0.3
235.16998	7.6
235.19258	0.4
245.15514	0.3
253.18117	1.2
259.17154	0.4
261.18515	0.3
277.18146	0.5
277.81909	0.3
289.18170	0.5
301.18283	0.4
319.19086	0.5
349.20059	1.9
367.21188	3.9
391.21341	1.1
403.21188	0.4
409.22333	3.2
419.20593	0.4
421.22385	0.7
433.22159	2.2
437.21884	0.6
438.24969	4.7
445.22253	1.0
451.23615	1.2
457.22162	0.3
463.23434	1.0
475.23154	2.3
493.24387	2.9
511.25433	12.3
512.25964	1.0
553.26373	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	553.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01351	0.7
61.98823	2.1
70.06277	2.2
71.01358	0.9
71.05013	2.0
72.05134	0.5
78.59203	0.5
83.05039	0.9
89.18106	0.5
89.36048	0.5
95.73704	0.6
97.02940	1.7
97.06586	1.2
98.20038	0.9
99.00879	9.9
109.06570	0.8
110.64863	0.5
112.47543	0.5
120.41429	0.6
125.09721	4.4
127.11265	0.6
138.93225	0.5
163.11266	3.7
181.12323	10.6
181.13930	0.8
182.12703	0.7
197.11841	0.9
199.13380	28.1
200.13737	1.2
207.10243	16.4
213.76810	0.6
225.11305	42.9
226.11716	1.3
235.20570	2.8
235.87982	0.6
243.12335	16.2
253.21701	6.7
299.14969	2.8
317.16013	100.0
318.16309	4.1
364.51578	0.6
488.72879	0.6
512.87830	0.6
553.37421	25.6
554.37805	2.1
568.95160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33990	0.5
59.01370	1.8
59.67121	0.6
59.96825	0.5
61.98828	1.3
70.66240	0.5
71.01379	0.7
71.51155	0.7
75.55371	0.6
75.73561	0.5
78.95901	8.8
88.44527	0.5
89.65102	0.5
94.78043	0.6
119.78392	0.5
149.39354	0.7
152.99637	1.3
168.04280	1.2
224.06969	0.9
242.07961	3.2
259.20425	0.7
277.21695	100.0
278.22046	6.5
341.10864	0.6
473.16769	0.6
502.29361	44.1
503.29697	4.4
552.25458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
58.00597	1.4
59.01378	100.0
60.01724	0.8
61.98835	6.9
63.12249	0.7
66.33786	0.9
69.03456	1.6
71.01379	33.7
72.99292	2.0
73.02944	46.3
75.00869	2.8
79.05524	1.4
81.03478	1.2
83.01382	13.7
83.01834	1.2
83.05045	2.2
85.02952	4.6
87.00885	2.2
87.04056	0.9
87.04514	6.1
89.02443	4.5
95.01376	1.0
96.95977	1.7
99.04509	1.2
101.02438	44.9
102.02761	1.0
108.02225	0.8
109.02963	1.2
113.02442	12.6
113.06095	1.1
115.00362	5.3
119.03514	4.1
121.06574	1.3
123.08171	2.9
125.02424	1.9
125.09678	1.0
127.03959	1.9
127.07635	2.0
131.03479	3.9
133.01419	6.3
133.02911	1.0
134.03752	0.9
135.04523	0.9
135.08214	1.0
137.02443	1.5
137.09744	1.0
143.03455	3.5
145.48990	0.8
148.74374	0.8
149.04565	6.6
149.05659	0.9
149.06062	0.7
151.03993	1.7
151.07561	1.0
153.05621	1.1
155.03511	1.8
161.04552	12.7
165.05492	0.9
166.05089	1.3
166.06358	4.3
167.07091	2.3
168.07935	4.3
173.06003	0.9
175.03847	1.0
175.07642	0.9
176.04544	0.8
177.01926	1.7
177.09105	0.9
179.10751	1.4
189.12836	0.9
191.05550	1.0
197.09589	1.0
202.06317	1.0
203.03699	0.9
203.05557	2.0
215.10719	1.1
221.06700	1.5
227.14394	2.8
229.12216	2.1
231.06520	0.9
239.10820	1.4
243.17561	2.8
247.13358	2.0
254.13116	4.2
269.15433	13.6
269.20215	0.9
278.08063	1.3
287.16507	22.3
288.16446	1.1
299.12875	1.9
305.17511	2.5
343.15723	1.2
437.12106	1.9
493.27908	4.1
509.23676	2.0
553.23120	4.4
553.31696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94588	0.5
59.01378	13.6
61.98824	1.0
68.99570	1.3
71.01398	3.4
71.33295	1.1
73.02943	1.0
77.01804	0.5
80.96524	0.7
83.01368	0.6
85.02941	1.3
89.02437	2.6
93.06935	0.6
101.02419	2.8
112.98547	1.9
113.02429	1.2
123.99165	0.6
154.42601	0.6
161.04526	1.0
173.95432	0.5
175.35521	0.6
191.05585	1.8
192.06116	0.6
235.08229	2.8
235.31078	0.5
249.18396	0.6
253.09277	12.2
255.23279	100.0
256.23685	4.2
295.77267	0.6
308.71765	0.6
491.32056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00008	0.5
57.03425	0.6
58.04440	0.5
59.01373	0.8
61.98804	1.2
69.03460	4.1
69.78410	2.7
70.75311	0.5
71.00427	0.6
71.05030	2.0
91.04019	1.0
97.06594	0.6
111.98708	0.6
120.79102	0.5
123.08120	1.1
125.09708	2.5
146.74013	0.5
149.09691	0.8
151.11229	2.5
153.12833	1.2
161.09726	4.7
162.15501	0.6
179.10771	16.6
179.12263	1.2
180.11162	0.6
185.11743	0.6
190.29774	0.5
197.11809	75.2
198.12115	1.9
223.09708	2.3
226.21704	0.5
235.20534	2.6
241.10791	12.5
251.52458	0.6
253.21671	10.4
254.22112	0.9
297.13412	2.5
315.14447	100.0
316.14725	4.5
357.31049	0.6
456.00912	0.6
551.35852	16.3
552.36237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.7
59.01373	5.9
61.98822	1.9
66.60648	0.8
71.01382	6.5
71.51182	0.8
72.99307	1.7
73.02937	0.8
78.03484	2.1
81.03459	0.7
82.60254	0.5
85.02947	2.9
88.04048	3.1
89.02480	0.6
95.01387	1.4
99.00874	0.9
101.02415	0.9
107.01358	0.7
108.02166	48.4
109.02954	12.0
113.02438	2.0
115.00361	2.4
121.02944	1.0
122.02475	22.9
123.00867	1.3
133.01440	4.0
134.03703	1.0
135.04497	1.8
142.05086	0.6
146.04620	1.0
150.04146	0.7
151.00467	1.0
151.03998	1.5
152.01138	100.0
153.01909	4.4
163.03992	5.3
165.02075	0.7
177.01872	1.1
179.03391	1.4
193.04951	0.7
202.12035	0.7
207.03020	0.9
209.11813	2.3
213.09131	0.9
253.09157	0.7
289.10785	1.7
297.06204	1.2
315.07349	1.3
411.08923	0.8
429.10315	50.8
430.10727	3.2
552.13525	82.1
553.14093	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.1
59.02428	0.5
66.97659	0.5
70.14442	0.6
70.52864	0.6
71.01378	3.2
73.02936	0.9
75.06875	0.4
80.96498	0.9
85.02940	1.1
88.60220	0.5
89.02431	1.8
98.20681	1.2
101.02415	2.9
106.35199	0.5
113.02423	0.6
119.03522	0.9
133.05008	0.7
144.23808	0.5
161.04509	1.5
191.05586	1.9
235.08200	3.4
237.83232	0.6
253.09258	13.4
255.23262	100.0
256.23621	6.5
491.32571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	88.9
67.45286	49.9
67.79168	48.2
68.05418	54.4
71.01393	50.7
71.33100	54.6
71.33475	100.0
80.96510	80.3
167.50223	60.3
178.68506	49.4
293.21231	73.2
338.39975	50.9
345.24411	54.2
426.32892	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03453	1.2
58.00595	3.6
59.01377	100.0
60.01704	0.6
61.98844	0.6
71.01379	59.7
71.52066	0.7
72.57841	0.6
72.99303	6.0
73.02930	2.5
75.00889	0.6
75.97794	0.7
77.65956	0.7
77.66428	0.6
83.01384	2.2
85.02947	10.7
86.79547	0.7
87.00864	4.5
88.61284	0.5
89.02441	93.5
90.02755	0.9
95.01377	4.0
101.02438	35.0
108.02168	13.6
109.02946	3.8
113.02447	26.8
113.03111	0.6
115.00359	3.7
119.03494	45.7
121.02937	7.2
125.02462	1.2
131.03528	3.8
133.01437	6.1
135.04500	1.9
137.02391	1.5
138.03209	0.8
143.03481	6.7
149.03525	0.8
149.04546	3.8
149.05728	0.8
151.03938	0.8
152.01143	23.7
153.01822	2.1
156.41370	0.6
158.03630	0.6
159.04501	2.3
161.02403	1.0
161.04539	7.3
161.05797	1.2
163.03952	0.8
172.04979	0.7
173.06047	3.0
174.03142	0.7
174.06795	0.7
175.03951	5.4
177.05551	2.2
179.03450	1.8
179.05603	18.7
187.03996	4.8
187.07605	1.3
189.05521	1.0
189.09172	1.2
190.06366	2.7
191.07124	1.2
201.05420	0.6
202.06259	2.7
203.06949	1.0
204.04135	0.8
205.05070	5.0
205.08664	1.4
219.02950	0.8
219.06554	2.6
220.07355	6.4
235.09760	5.1
254.46947	0.6
283.09692	1.4
296.06873	1.0
297.11252	1.3
299.12674	1.7
311.09256	7.7
315.12317	0.7
325.10858	0.7
326.11618	3.5
336.60541	0.7
341.10220	1.4
341.13904	1.5
356.12711	1.5
359.14697	2.2
371.14944	39.8
372.15021	2.4
373.16113	0.9
389.15421	0.6
417.15717	0.8
429.10364	7.1
430.10159	0.7
435.10660	1.0
435.16263	1.3
551.13562	23.0
551.21210	7.3
552.13708	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26931	0.2
61.98827	100.0
62.40157	0.2
71.01383	0.4
71.51849	0.2
80.96529	0.6
109.89102	0.1
136.20624	0.2
190.30814	0.2
551.25665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
136.45541	0.7
168.89148	0.6
184.54849	0.6
316.90741	0.7
417.85989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70217	1.2
57.03440	8.6
59.01379	14.1
60.99319	1.1
61.98827	10.6
69.03439	1.7
71.01381	41.0
71.52152	2.2
71.59472	1.1
72.99297	1.8
73.02949	3.9
73.89709	1.3
77.03960	2.6
80.02707	1.5
85.02962	3.5
87.00884	1.7
88.98798	6.7
89.02480	2.7
93.03442	2.7
93.07117	1.8
94.49972	1.3
95.05036	7.9
96.96017	17.6
97.06592	2.7
99.78656	1.3
101.02458	4.1
105.03448	13.7
106.04280	3.8
107.04990	1.8
109.02954	8.6
109.06601	3.4
111.00954	1.4
112.64864	1.2
113.02479	3.7
115.00374	33.4
115.01173	2.4
119.05064	2.6
121.02960	7.3
121.06587	4.5
123.04556	6.8
123.08176	1.4
124.01688	3.4
125.02480	3.1
133.01434	34.3
133.02962	100.0
134.03751	42.8
135.04544	18.2
135.08162	1.7
137.02443	30.4
137.51299	1.2
139.04028	10.2
139.07639	11.1
145.02968	1.9
147.04500	1.7
147.08165	3.0
149.02463	1.5
149.09740	2.2
150.03227	4.4
151.03973	1.6
151.11295	3.7
159.04491	3.7
161.02502	3.9
161.04701	2.7
161.06104	7.3
161.09732	2.7
162.83226	1.2
163.11232	1.6
165.01944	1.6
165.05530	10.8
173.06024	1.8
175.04095	1.5
177.01926	91.0
177.09251	1.4
178.02707	88.3
179.03484	20.0
179.10774	41.2
181.08597	1.5
181.95712	1.3
183.06502	1.8
183.10266	2.9
187.02426	1.8
187.03990	4.6
187.07648	2.5
187.11295	6.8
197.06178	1.5
201.05597	2.8
202.06339	3.0
203.10738	2.7
204.04279	1.2
205.12325	39.5
207.06792	1.5
207.10390	2.1
209.11806	1.8
211.13283	1.4
215.07220	1.5
223.13318	6.1
255.06703	1.3
255.10175	1.4
255.13832	1.7
259.50821	1.3
271.13376	2.3
273.11426	3.6
277.03458	2.2
281.11819	6.8
281.74634	1.2
294.03632	6.2
299.12912	26.7
300.13147	2.5
317.13922	12.8
318.14240	1.8
327.10950	1.5
327.15982	1.8
338.04413	2.3
343.11758	1.4
347.14896	2.4
359.18643	4.4
373.16519	6.5
388.11993	1.2
391.12589	2.9
391.17587	45.7
392.17929	3.0
417.15613	5.0
435.10873	6.5
435.16443	32.4
435.26056	4.1
436.17358	2.4
507.22290	4.1
533.23688	9.7
551.25079	41.2
551.32758	1.9
552.25507	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	549.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98822	0.3
64.37836	0.1
69.23640	0.9
71.01376	0.6
71.51291	0.1
75.86269	0.1
78.53756	0.1
78.95898	1.1
79.95734	2.6
81.17059	0.1
85.02946	0.1
89.02398	0.1
95.42933	0.1
96.96004	100.0
97.95935	0.4
101.02434	0.2
115.00353	0.3
118.80492	0.1
128.03558	0.1
133.01427	0.4
133.02963	0.2
135.04544	0.2
177.01837	0.1
179.03423	0.1
191.05632	0.2
225.14890	0.1
279.99734	0.1
335.00665	0.1
388.95416	0.1
396.63281	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.76672	0.2
56.63264	0.2
57.03446	2.1
58.00588	0.5
59.01377	100.0
60.01711	0.5
61.98833	1.7
66.71756	0.2
69.03476	0.5
69.25451	1.0
69.25880	0.5
69.77629	0.2
71.01379	16.9
72.01704	0.2
72.99312	0.6
73.02946	4.4
75.00864	0.3
78.95908	0.8
81.03465	0.3
83.01389	2.9
84.02172	0.2
85.02946	10.4
86.00089	0.5
87.00877	1.1
89.02441	3.2
95.01379	2.0
97.02959	0.8
99.00870	2.0
101.02439	9.1
111.00880	0.7
112.01620	0.3
112.44722	0.2
113.02444	9.9
114.02757	0.2
115.00353	0.6
115.04005	0.5
119.03479	0.8
124.01657	0.5
125.02473	1.3
127.11299	0.5
129.01955	0.6
133.01471	0.4
135.04588	0.2
142.02678	0.4
143.03493	2.1
159.03020	1.0
161.04552	3.7
161.23901	0.2
162.35411	0.2
171.13899	0.7
178.02715	0.3
189.96190	0.2
265.21664	0.2
281.24985	0.2
299.25897	2.0
327.28970	0.3
343.28333	0.2
345.30069	4.2
346.30475	0.2
357.08841	0.3
387.30930	0.5
415.30490	0.6
433.27585	0.5
441.32126	0.4
453.32047	0.2
459.33301	0.6
481.28198	0.2
489.34293	55.1
490.34619	5.4
507.35333	25.1
508.35727	2.2
549.20459	0.2
549.36469	3.6
550.36609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98828	100.0
62.98525	0.1
64.91763	0.1
69.27950	0.2
69.28371	0.3
71.01397	0.5
78.98619	0.1
79.95740	0.2
80.96514	1.8
85.02977	0.1
89.02446	0.1
92.55373	0.1
94.98087	0.3
98.20710	0.2
101.02443	0.1
106.98105	0.1
115.00429	0.1
122.97617	0.1
125.02448	0.1
134.03793	0.2
134.97577	0.1
148.99182	0.2
152.98628	0.1
164.98642	0.2
167.14833	0.1
178.02722	0.3
181.44981	0.1
217.66216	0.1
225.00743	0.4
239.54565	0.1
249.18567	0.4
250.18938	0.7
251.19193	0.4
252.19551	0.2
253.09300	0.1
295.19202	0.1
428.63834	0.1
490.20840	0.1
505.33157	0.1
549.23602	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	548.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60973	0.1
54.31172	0.1
59.01375	0.1
61.98824	100.0
68.99551	0.1
69.47285	0.5
69.47686	0.2
71.01382	0.3
71.16472	0.1
72.53453	0.1
76.19688	0.1
112.98556	0.2
120.12157	0.1
171.89423	0.1
249.18590	0.3
250.18947	0.3
251.19336	0.1
252.19659	0.1
291.10745	0.1
314.83673	0.1
320.46121	0.1
441.55981	0.1
443.50882	0.1
512.83191	0.1
534.55774	0.1
577.40607	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
59.01372	0.6
61.98828	21.1
63.96226	1.1
67.51195	0.4
70.98779	1.0
71.01382	7.9
73.02952	1.7
78.98581	4.3
79.95728	10.6
80.96513	66.2
81.03452	1.3
85.02949	2.6
87.00871	1.9
94.98083	15.5
96.96012	1.8
97.02936	1.2
101.02420	2.7
106.27917	0.4
106.98066	3.1
113.02448	0.5
122.97567	2.8
125.02472	2.3
127.03986	0.9
134.03749	0.5
134.97585	4.8
136.99150	1.8
146.97591	0.5
148.99136	6.6
152.98630	5.5
164.98607	11.8
206.99600	2.4
225.00726	13.4
249.18602	1.7
255.57388	0.4
264.50659	0.4
299.04395	2.7
318.35727	0.4
357.70984	0.4
377.60229	0.5
491.21008	0.5
549.23706	100.0
550.24078	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	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05675	0.3
59.01376	29.8
61.98825	100.0
69.68586	1.4
71.01373	4.3
73.02936	2.8
83.01380	0.7
85.02974	1.3
86.17215	0.4
89.02457	1.3
101.02457	3.6
113.02449	2.0
115.00391	0.6
119.03495	0.5
133.01431	1.1
135.04535	0.4
137.00447	0.4
139.43579	0.4
143.03493	0.5
149.04509	0.4
161.04567	1.2
178.02693	0.5
179.05701	0.3
186.43155	0.4
304.25549	0.3
318.13135	0.4
441.25165	0.5
488.33163	0.6
489.33920	1.7
507.35818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58384	0.2
55.01877	0.6
57.03434	0.6
58.07750	0.3
59.01378	77.4
60.01709	3.9
61.98827	100.0
69.03439	0.5
69.35274	2.1
71.01380	11.8
72.01714	1.1
72.99308	0.5
73.02946	2.6
75.56062	0.3
83.01384	1.7
85.02948	4.7
85.72842	0.2
86.03271	0.5
87.00873	0.9
87.58308	0.3
88.98843	0.3
89.02438	2.7
90.02778	0.4
95.01377	1.3
96.18687	0.2
96.95966	0.4
97.02896	0.3
98.20730	0.4
99.00886	1.4
101.02441	6.0
101.31942	0.3
102.02762	0.7
111.00856	0.5
113.01732	0.4
113.02452	5.6
114.02745	0.8
115.00340	1.2
119.03468	0.7
121.10196	0.4
125.02399	0.6
133.01398	0.7
133.02887	0.4
134.03706	0.4
135.04478	0.5
143.03401	0.9
159.02924	0.6
161.04546	3.1
162.04808	0.5
177.01746	0.3
177.47617	0.3
177.72681	0.3
178.02563	0.5
179.05591	0.4
191.05545	0.5
209.11714	0.4
253.93419	0.2
273.96191	0.3
344.28320	0.7
347.20224	0.5
348.20709	0.4
381.22354	0.5
395.19089	0.2
399.23325	0.7
441.24829	1.5
487.32727	4.5
488.33078	15.9
489.33621	1.3
505.33731	2.7
506.34070	8.4
507.33820	0.6
511.84244	0.3
548.34393	0.6
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
59.01377	35.9
60.01714	0.8
61.98827	100.0
67.28638	0.2
71.01374	5.7
72.99326	0.3
73.02947	1.2
83.01385	0.5
84.99248	0.2
85.02966	1.5
87.00842	0.3
89.02444	1.3
95.01399	0.4
98.19927	0.5
99.00877	0.6
101.02450	2.2
113.02446	1.4
114.91019	0.2
115.00353	1.3
119.03490	0.3
122.92051	0.2
133.01361	1.1
133.02892	0.9
134.03638	0.4
134.82492	0.3
135.04501	0.3
143.03470	0.4
161.04556	1.7
164.59758	0.2
178.02524	0.5
191.05525	0.4
209.11665	0.5
293.42151	0.2
387.47287	0.3
399.23248	1.1
441.24744	1.1
487.32162	0.4
488.32999	2.0
489.33612	0.4
504.27463	0.4
506.32983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26669	0.3
59.01376	25.4
61.98828	100.0
65.55320	0.3
71.01377	6.1
71.51929	0.4
73.02953	1.4
75.07929	0.3
78.95920	0.4
80.63516	0.3
80.96516	0.4
83.01385	0.7
85.02966	1.2
89.02448	1.5
94.28566	0.4
95.01391	0.5
95.96294	0.4
99.00851	0.4
101.02438	2.5
113.02460	1.1
115.00394	2.0
119.03470	0.4
125.14892	0.4
133.01431	1.9
133.02965	0.8
135.04501	0.7
136.96089	0.4
137.02403	0.4
161.04529	1.6
177.01891	0.5
178.02762	0.7
179.03444	0.4
203.05638	0.4
235.39848	0.3
245.37717	0.3
253.09393	0.4
283.13306	0.3
294.21729	0.4
311.22296	0.8
312.22723	1.7
399.23990	1.5
441.24936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55723	0.2
54.34255	0.2
59.01374	17.2
59.69662	0.3
61.98825	100.0
69.03449	0.4
70.60169	0.5
71.01376	6.7
73.02940	5.4
83.01387	1.8
85.02962	0.8
87.00860	0.4
89.02448	1.9
95.01411	0.3
96.96023	0.4
97.39507	0.3
98.19962	0.3
99.24715	0.3
101.02433	7.0
103.42790	0.2
113.02440	2.3
115.00372	0.9
119.03516	1.1
131.03490	0.6
133.01437	1.1
133.02904	0.4
135.04572	0.3
143.03491	0.8
149.04507	1.5
155.03505	0.3
161.04550	3.1
179.05588	0.3
191.05614	0.3
203.05566	0.3
210.38281	0.3
221.06657	0.9
241.17548	0.3
429.59253	0.3
432.31802	0.3
433.27899	0.3
474.12457	0.3
489.34604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01376	31.6
61.98827	100.0
64.98115	0.2
71.01377	4.6
71.10973	0.6
72.99342	0.3
73.02953	1.2
83.01358	0.4
85.02956	1.0
87.00893	0.3
88.98819	0.3
89.02448	0.9
96.60936	0.3
96.95996	0.6
101.02442	2.0
106.77433	0.3
113.02451	1.4
114.99629	0.3
115.00385	1.1
125.02459	0.4
133.01421	1.2
135.04543	0.9
136.04892	0.3
157.95923	0.3
160.04024	4.1
161.04527	1.3
174.01849	0.3
179.03505	0.5
191.05573	0.4
301.32816	0.3
339.08609	0.3
399.23886	2.4
400.24417	0.4
432.22418	0.3
433.17740	0.5
441.24905	3.2
548.17841	1.3
549.29163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03447	1.7
58.00597	0.3
59.01375	100.0
60.01719	0.9
61.98826	19.3
68.99853	0.2
69.03452	0.5
69.26270	0.8
69.26698	1.2
71.01376	18.1
72.45076	0.2
72.99303	0.8
73.02938	4.8
74.31526	0.2
75.00867	0.3
80.87718	0.2
83.01378	3.0
83.05019	0.3
85.02946	9.0
86.00085	0.4
87.00887	1.0
88.98869	0.2
89.02432	4.2
95.01380	2.4
96.96004	0.7
97.02956	0.7
99.00885	2.3
101.02431	9.5
101.92400	0.2
111.00864	0.6
111.08150	0.2
113.02436	10.1
115.00383	1.3
115.03994	0.3
119.03498	1.2
121.10248	0.4
122.79701	0.2
124.01644	0.4
125.02460	1.3
133.01425	1.3
133.02943	0.5
135.04512	0.8
137.02495	0.2
143.03461	1.6
147.11794	0.2
149.64308	0.2
157.12256	0.4
159.02951	1.0
159.41232	0.2
161.04533	6.6
178.02667	0.3
179.03445	0.4
179.05608	0.5
185.15376	0.4
191.05630	0.5
192.38298	0.2
197.15550	0.3
203.81551	0.2
209.11794	0.3
229.08676	0.2
258.22049	0.2
297.24280	0.9
319.17581	0.2
325.27502	0.4
329.19620	0.4
343.28445	3.0
347.20834	0.7
375.23599	0.2
413.28967	0.2
431.30167	1.2
439.30899	0.2
457.31613	0.5
469.31528	0.5
485.29660	0.3
487.32718	41.7
488.33115	3.0
505.33777	22.5
506.34177	1.9
547.26971	0.3
547.35370	1.6
548.35352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06817	0.4
59.01376	15.9
59.28286	0.4
61.98824	3.3
71.01382	2.7
71.24387	0.4
71.35437	0.8
72.99310	0.4
73.02964	0.4
73.28831	0.4
85.02914	0.5
87.00900	0.5
89.02457	2.3
101.02421	2.5
106.52713	0.5
113.02433	1.5
119.03498	0.9
161.04532	1.1
178.20988	0.4
181.67070	0.4
188.55034	0.4
221.97713	0.4
230.17496	0.4
233.19081	0.6
235.08224	2.0
251.20140	100.0
252.20462	5.4
253.09274	13.6
254.09624	0.4
341.58170	0.4
359.44681	0.4
530.84723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.14656	0.1
57.03447	1.7
58.00600	0.2
58.99598	0.5
59.01376	100.0
60.01708	0.8
61.98825	2.2
69.03457	0.4
71.01379	16.7
71.05018	0.2
72.01717	0.2
72.99307	0.6
73.02947	4.3
74.99094	0.4
75.00875	0.2
83.01382	2.5
84.02199	0.2
85.02945	9.1
86.00082	0.4
87.00874	1.0
89.02439	2.5
95.01388	2.1
96.95998	0.3
97.02970	0.6
97.06596	0.1
99.00879	1.9
101.02438	8.9
111.00902	0.7
112.01684	0.3
113.02445	9.7
115.00360	0.4
115.03957	0.3
119.03505	0.7
124.01703	0.3
125.02457	0.8
129.01941	0.3
133.01408	0.4
133.02951	0.2
135.04535	0.3
136.99161	0.3
141.01987	0.2
143.03497	1.9
159.02985	0.8
161.04552	4.5
162.04872	0.2
187.45207	0.2
188.53015	0.2
197.15488	0.7
204.85185	0.2
239.20143	0.3
257.86874	0.2
279.23090	0.3
279.26086	0.2
295.26385	0.2
297.24347	2.2
309.24243	0.2
325.27451	0.4
343.28473	4.6
375.23901	0.2
383.90775	0.2
385.29459	0.2
413.28970	0.2
439.30600	0.2
443.14111	0.2
451.30475	0.3
452.86847	0.1
457.31723	0.3
476.15771	0.2
487.32724	38.8
488.33063	3.7
505.33798	22.3
506.34164	1.8
547.25842	0.5
547.34784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1093
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01380	12.2
61.98829	9.7
67.85091	0.7
70.62190	0.7
71.01383	7.5
84.25158	0.7
85.02972	1.0
87.00850	0.7
88.98801	0.8
89.02451	1.3
96.95982	2.2
101.02412	1.3
110.00081	1.2
113.02456	1.4
115.00382	3.6
115.28576	0.8
116.92970	0.9
125.02430	1.8
133.01419	2.6
135.04492	2.0
151.00395	0.8
165.01917	1.2
179.03545	1.6
183.04562	2.3
187.02391	1.3
191.05594	0.9
201.11385	0.9
209.11864	1.3
211.03957	3.6
227.03458	14.5
228.04099	1.6
235.97166	0.7
243.06674	1.0
255.02960	54.0
256.03534	4.1
271.06198	1.6
283.02460	83.0
284.03201	22.2
285.03580	1.3
298.04800	53.9
299.05576	100.0
300.05981	5.1
341.06567	0.8
487.32501	2.2
495.55914	0.7
503.11920	59.8
504.12247	5.5
554.25946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32129	0.4
59.01379	1.9
60.99315	0.5
61.98832	0.8
65.00340	0.7
69.33269	3.2
71.01373	3.5
72.43862	0.5
73.02933	0.6
80.96525	1.3
82.96096	0.6
83.01398	0.5
85.02944	0.7
87.00875	0.9
88.98795	2.0
89.02471	1.2
95.01386	1.0
96.96026	1.2
97.02945	0.4
99.00886	1.0
101.02441	6.1
107.01389	1.2
108.02169	1.0
109.02959	2.4
111.00830	0.6
113.02477	0.5
115.00381	1.3
119.05010	0.5
121.02946	0.5
129.01877	0.8
133.01437	1.9
134.05226	0.4
135.04565	0.8
137.02415	1.2
138.03206	4.2
139.00360	2.5
139.03995	1.4
145.01422	9.7
145.05096	0.8
149.06111	1.4
150.99185	0.8
151.00371	7.9
153.01976	0.6
161.02415	1.2
161.04478	0.7
165.01950	7.5
166.02707	25.1
167.03380	1.5
169.01385	0.8
177.01900	1.0
177.05583	0.4
177.09256	0.8
178.99852	61.8
179.03311	1.2
180.00159	1.7
181.05046	0.6
192.00610	0.9
193.01416	7.5
193.05032	0.8
194.01994	0.5
206.99338	21.4
207.02927	2.0
208.00000	3.0
209.04567	0.7
219.02972	0.7
221.04521	1.0
222.01683	42.1
223.02403	5.1
225.00818	0.5
226.01099	0.8
229.04140	0.7
233.04550	0.8
237.04044	1.7
249.03903	0.5
277.03476	1.3
337.05649	1.1
473.12970	0.6
503.17142	0.6
526.94873	0.4
547.12903	100.0
548.13251	6.7
555.63550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03444	0.4
57.06954	0.3
59.01376	63.4
61.98827	100.0
64.84198	0.3
69.03441	0.3
69.64921	1.4
71.01380	6.9
73.02943	2.1
79.95770	0.4
83.01370	0.7
85.02945	2.6
87.00862	0.4
89.02445	1.8
91.72926	0.3
96.96010	5.2
98.20634	0.4
98.95588	0.3
99.00851	0.8
99.92543	0.4
101.02433	3.6
113.02440	2.6
115.00364	2.3
116.92829	1.0
117.05560	0.4
119.03498	0.5
133.01442	1.9
134.03743	0.4
135.04494	1.2
137.02443	0.4
159.02948	0.6
161.02477	0.3
161.04544	3.0
178.02679	0.6
179.03384	0.7
184.68561	0.3
191.05492	0.6
202.65358	0.3
203.05554	0.4
212.14174	0.3
218.10751	0.3
235.16805	0.5
283.02695	0.3
379.21017	0.4
397.22202	3.6
398.22305	0.4
431.22354	0.7
433.92615	0.3
439.23355	12.4
440.23285	0.9
503.24203	0.3
547.10986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12468	0.3
55.01870	0.3
59.01376	59.2
61.98826	100.0
64.75039	0.3
71.01379	6.4
71.05020	1.0
71.51840	0.4
72.99340	0.4
73.02932	2.0
83.01402	0.3
83.25509	0.3
85.02940	2.5
87.00909	0.4
89.02446	1.8
96.95968	0.5
99.00864	0.7
101.02436	3.4
105.62446	0.3
113.02445	2.3
115.00390	1.9
119.03456	0.5
120.01210	0.7
125.02388	0.4
130.22159	0.3
133.01422	1.8
133.02917	0.4
135.04514	0.5
137.02505	0.3
159.02921	0.3
161.04561	2.4
191.05496	0.7
235.16826	0.6
298.04721	0.4
379.20883	0.7
380.54019	0.3
397.22278	4.0
421.49542	0.3
428.26208	0.7
429.26086	1.1
430.27097	2.3
439.23297	9.4
440.23422	0.5
539.31110	0.3
546.29572	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.9
60.01711	0.8
61.98827	100.0
64.14155	0.4
67.06409	0.4
71.01376	10.2
72.99300	0.4
73.02939	3.2
83.01388	0.9
85.02962	1.8
87.00862	0.7
89.02438	4.3
90.22993	0.4
95.01385	0.5
96.96017	1.1
99.00903	0.5
101.02428	5.6
113.02452	2.8
115.00367	2.6
115.76513	0.4
119.03523	0.9
125.02445	1.8
131.03482	0.5
133.01413	4.1
135.04572	2.4
135.19545	0.4
136.04730	0.5
143.03528	1.0
145.01431	0.5
148.18010	0.4
149.04620	0.5
161.04570	1.6
173.04517	0.6
179.03525	0.9
179.05627	0.7
187.02499	0.9
187.13457	0.6
191.05673	1.0
217.15941	0.7
283.02545	0.6
397.22379	1.8
439.23294	4.8
482.23019	0.6
546.25385	0.9
547.25116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
63.96236	0.7
70.25781	1.4
71.01374	5.5
71.91816	0.3
72.99304	0.4
73.02943	1.0
74.88595	0.3
78.98585	3.7
79.95738	6.7
80.96513	45.7
81.03452	0.5
81.84309	0.3
83.01401	0.3
85.02955	2.2
87.00885	1.5
89.02444	0.4
94.98083	10.4
95.01387	0.4
96.96017	1.5
97.02950	1.4
98.20602	0.4
101.02444	2.2
105.58986	0.3
106.98073	2.4
113.02447	0.4
115.00328	0.6
117.82127	0.4
122.97575	3.3
125.02431	2.1
127.03957	0.7
133.01410	0.6
134.97578	3.2
136.99144	1.0
148.99115	4.1
152.98634	4.0
164.98621	9.5
165.00038	0.5
182.99681	1.0
201.11284	2.6
206.99664	2.8
209.11809	0.8
225.00726	17.6
226.01073	0.5
237.03497	0.3
243.01784	1.3
299.04443	2.7
501.16434	12.4
502.17081	0.8
527.18036	2.1
545.19061	100.0
546.19360	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10774	0.2
55.01879	0.9
55.06775	0.2
57.03443	1.3
58.00581	0.2
59.01376	100.0
60.01711	0.7
61.98822	2.3
65.32982	0.2
68.31818	0.2
69.03452	0.3
70.01800	0.2
70.70742	0.5
71.01379	17.5
71.05021	0.5
72.69852	0.2
72.99320	0.7
73.02946	4.5
75.00901	0.3
79.95728	0.2
80.96548	0.2
83.01386	2.5
83.05031	0.2
85.02947	9.5
86.00114	0.4
87.00851	1.3
89.02437	3.2
93.03458	1.2
95.01379	1.8
96.96023	0.9
97.02951	0.7
97.06590	0.3
99.00878	2.2
101.02438	9.5
111.00896	0.8
111.04504	0.2
112.01673	0.2
113.02441	9.7
115.00393	1.3
115.04016	0.3
119.03481	1.3
121.10210	0.5
125.02441	1.4
133.01422	1.3
133.02992	0.3
134.03796	0.2
135.04544	0.8
137.02452	0.3
141.01933	0.3
143.03497	2.1
159.02979	1.3
161.04543	5.6
161.05908	0.3
173.04616	0.7
179.03563	0.3
186.06879	0.3
191.05600	4.2
209.11919	0.4
211.17026	0.3
214.06505	0.3
215.07242	0.5
251.20296	0.3
256.07455	0.7
265.83896	0.2
281.25052	0.4
293.25015	0.5
305.24911	0.7
311.26071	0.4
323.25958	0.3
333.09750	0.2
341.26920	2.7
395.24481	0.5
411.27954	0.2
413.25378	1.0
425.29279	0.4
429.26550	0.3
437.29132	0.4
449.29077	1.1
455.30438	0.5
467.30063	2.7
485.31143	22.6
486.31583	1.9
503.32214	20.3
504.32440	1.5
545.20325	0.9
545.33685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06069	0.3
57.03443	2.9
59.01378	36.8
60.01706	0.3
61.98826	2.6
63.49122	0.3
71.01378	8.7
71.05016	7.9
71.52356	0.4
75.44969	0.3
83.05025	0.5
84.04522	0.6
86.02443	0.3
86.29192	0.3
93.03391	0.4
95.05003	0.4
96.08175	0.5
96.96014	0.8
97.06593	0.5
102.05630	0.3
111.08144	1.3
113.02435	0.4
113.06118	1.7
113.09676	0.6
114.09225	1.2
114.99575	0.6
115.00368	9.5
125.02374	0.5
125.09672	0.5
129.09207	0.5
131.07132	0.5
133.01413	4.8
133.02934	0.5
135.04504	0.4
136.04967	0.3
137.09709	0.8
139.07614	1.1
142.12383	0.4
143.10767	8.7
146.08260	0.5
151.03969	0.6
155.10764	10.9
156.11183	0.4
157.08684	11.9
167.10773	0.5
169.12317	0.3
170.11790	0.6
177.01958	0.6
180.10335	3.1
182.11807	1.0
185.11813	6.3
185.97630	0.3
191.05638	0.4
196.13281	0.4
198.11346	1.3
198.14975	1.3
199.09705	1.4
200.12892	9.9
201.13170	0.4
205.44785	0.3
209.15530	0.5
210.14888	0.7
217.10754	1.4
223.13322	0.5
225.18559	1.2
228.16068	0.7
242.13939	0.4
253.14362	0.8
260.14941	2.1
267.12225	0.6
277.12131	0.7
285.65866	0.3
297.11496	0.4
313.16498	1.5
314.19696	2.1
315.19949	0.4
410.25397	1.1
428.26471	100.0
429.26761	7.4
478.18958	0.3
507.46695	0.3
536.04688	0.3
544.26941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52031	0.3
56.84327	0.3
57.03445	3.2
59.01378	40.5
60.01704	0.4
61.98829	2.5
71.01378	9.0
71.05015	8.1
83.05030	0.3
84.04546	0.7
86.02491	0.6
89.02453	0.6
89.06223	0.3
90.10278	0.3
91.85634	0.3
95.04964	0.4
96.08163	0.7
96.96005	1.5
97.06594	0.4
101.02496	0.3
111.08142	1.4
113.06104	2.1
113.09735	0.5
114.09280	1.4
115.00363	9.3
125.09679	0.5
130.06239	0.3
131.07208	0.7
133.01413	3.8
135.04573	0.4
137.09734	0.8
139.07675	1.0
141.09070	0.4
142.12373	0.5
143.10767	10.2
155.10773	12.0
157.08688	11.1
158.09036	0.3
167.10800	0.5
174.11368	0.5
179.03522	0.6
180.10306	2.6
180.13950	0.5
182.11920	0.8
185.11810	5.9
191.05548	0.4
196.13469	0.4
198.11389	1.0
198.14993	1.4
199.09767	0.7
200.12904	10.7
201.13255	0.3
209.15488	0.4
210.15018	0.8
217.10788	1.0
225.18614	0.8
242.13943	0.6
253.14403	1.1
260.15051	1.9
271.65259	0.3
292.33435	0.3
313.16736	1.0
314.19748	2.2
368.24307	0.4
395.77795	0.3
410.25412	0.6
428.26474	100.0
429.26825	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	544.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24874	0.8
57.03424	0.9
59.01377	54.0
60.01691	1.0
61.98827	100.0
67.01863	1.0
69.03453	19.1
69.50804	2.6
69.51217	2.7
71.01017	1.0
71.01379	14.5
71.68050	0.7
72.01695	0.8
73.02935	2.8
83.01360	2.3
83.04977	1.2
85.02956	4.4
87.00867	1.4
89.02438	3.3
93.03432	2.7
95.33569	0.7
96.95990	2.2
101.02432	6.5
113.02444	3.8
115.00351	3.9
124.01639	1.4
125.02439	1.0
129.03584	0.7
133.01437	4.1
133.02914	0.8
134.03705	1.0
135.04500	0.9
137.02449	1.2
150.61636	0.8
153.13081	0.7
161.04500	1.9
173.04536	1.1
177.01866	0.8
178.02649	2.0
179.03395	1.5
191.05591	9.1
197.11790	2.6
198.12099	0.8
209.11761	1.9
211.13217	0.8
215.07120	2.4
223.16980	0.9
251.16475	1.1
252.88495	0.9
253.09172	2.7
290.18320	0.9
291.19629	1.9
305.17776	0.9
309.20786	5.7
327.18021	3.0
345.19156	5.3
377.19446	1.4
387.20187	7.1
395.20670	3.3
428.26279	2.9
437.21793	5.8
443.44791	1.0
445.76218	0.9
465.95279	0.9
526.27081	1.8
544.28674	4.1
545.20441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67232	0.2
59.01370	0.4
59.95146	0.3
60.99300	14.4
61.59982	0.2
61.98822	0.9
70.54381	0.3
70.83015	0.4
70.83350	0.4
71.01374	1.8
78.95911	0.5
79.95740	0.3
80.96518	0.9
87.00883	0.6
88.00391	0.8
88.98798	100.0
89.02431	3.7
89.99156	0.5
90.03543	0.3
94.98077	0.4
96.96023	0.7
101.56192	0.3
115.00356	1.5
133.01468	1.2
135.04541	0.5
144.61745	0.3
166.83969	0.3
179.03494	0.3
191.05528	0.3
209.11815	0.4
210.16051	0.3
225.00624	0.4
345.17126	0.3
394.64642	0.3
398.33698	0.3
407.16925	0.4
427.29337	0.3
451.32968	0.3
541.15796	2.7
541.22235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01376	19.5
59.33778	0.5
61.98827	100.0
71.01384	7.9
72.01740	0.7
72.99284	0.6
73.02940	14.2
83.05078	0.6
85.02949	8.0
87.00855	0.9
87.04518	1.2
89.02462	2.2
92.78981	0.5
94.45317	0.6
96.96011	1.5
101.02447	2.5
103.04008	50.8
107.15767	0.5
112.00556	0.5
113.02460	2.1
114.01997	1.2
115.00368	4.3
120.01253	1.7
133.01401	4.5
133.02956	1.0
134.03777	0.9
135.04570	0.8
161.04568	1.1
177.01909	0.6
178.02702	1.0
181.08672	1.3
211.13400	0.7
230.22435	0.9
233.07851	0.8
248.10512	0.6
283.13379	0.9
349.18671	0.7
390.16495	0.9
405.21225	1.1
408.17441	2.7
426.25439	1.0
463.25342	1.0
479.10938	0.9
542.25616	1.6
543.20917	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	540.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91268	0.6
57.03432	0.6
59.01384	4.6
61.98821	2.3
62.54294	0.6
69.70666	2.5
71.01377	5.3
72.99300	1.1
75.00831	0.5
76.34695	0.6
84.04552	0.8
84.85809	0.6
85.43482	0.5
89.02424	1.3
92.05037	0.7
94.06606	1.8
101.02440	1.1
104.05074	1.1
107.03753	7.7
110.02494	1.3
112.04025	2.2
115.00346	1.7
116.05059	5.9
120.04538	1.0
121.05334	0.7
122.06113	44.8
123.03258	5.4
123.06447	0.9
124.04049	3.7
125.02431	0.5
130.02933	1.0
132.04521	5.8
133.01447	3.6
134.06113	2.4
135.04486	1.9
138.05603	17.2
139.02733	2.7
140.07164	0.8
150.05621	0.8
152.07162	100.0
153.07486	2.8
158.02509	3.9
160.04019	25.9
161.04446	1.2
163.97661	0.7
164.07156	4.2
166.05132	1.2
172.04056	0.9
174.05672	0.8
177.04198	0.8
179.03447	1.0
182.04617	1.2
184.06047	2.9
190.05074	15.5
192.06651	74.2
193.06970	2.5
204.06694	1.9
212.10800	1.1
224.48787	0.6
228.10258	0.9
243.03035	0.8
255.11461	2.4
267.11279	1.1
281.09351	2.1
293.09338	1.0
295.10818	0.8
297.12186	0.8
299.10361	0.8
314.04251	0.8
323.10483	0.8
325.11902	22.3
326.12219	1.5
329.14981	1.8
355.12961	10.6
356.13199	0.8
357.14514	64.7
358.14807	4.3
377.29333	0.7
420.19577	0.8
436.14896	1.1
437.17300	1.1
446.17267	1.8
464.18222	13.1
465.17401	2.1
468.17633	1.2
477.10626	1.3
478.19806	1.2
480.25305	1.5
490.15771	2.8
496.21024	1.9
508.17181	30.1
509.17654	2.7
522.18927	5.5
539.34113	1.5
540.19843	18.3
540.34595	2.3
541.21124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
57.03450	2.6
58.00578	1.2
59.01376	35.4
60.64508	0.3
61.98820	1.2
71.01378	32.6
72.99302	2.8
73.02943	6.8
75.00875	2.5
75.86515	0.3
76.43302	0.4
78.63983	0.3
81.08395	0.3
81.22319	0.3
83.01388	3.8
83.05019	0.4
85.02946	10.1
87.00876	2.2
87.04507	1.3
87.96529	0.3
88.98760	0.4
89.02439	22.6
95.01385	2.4
96.95995	0.9
97.06628	0.4
99.00880	1.7
101.02436	20.0
109.06597	0.4
111.00864	0.4
113.02444	10.9
113.09684	0.4
115.00357	2.9
119.03490	8.7
122.06075	0.4
123.08154	1.1
125.02447	0.7
129.01878	0.6
131.03487	0.7
133.01433	4.6
135.04526	1.6
140.35988	0.3
143.03490	1.4
143.10738	0.8
144.05693	0.4
149.04622	0.4
149.09650	0.4
153.09239	1.7
155.10715	0.3
159.02988	0.8
161.04549	3.3
167.10765	0.9
169.07088	0.3
169.12352	0.5
173.11804	0.9
177.01868	0.7
179.03490	1.1
179.05557	4.1
179.10815	0.4
187.04022	0.4
187.07637	0.5
187.13399	2.2
191.03642	0.4
191.05574	0.7
209.11845	0.5
216.13631	1.0
217.14439	2.3
221.11864	0.5
291.10840	0.4
325.14380	0.5
331.24988	0.7
343.15591	0.5
357.26694	0.4
359.27835	0.6
361.16513	0.8
361.26114	0.4
375.27466	3.2
377.29037	30.1
378.29413	1.9
423.16443	0.6
479.24905	2.4
497.25854	1.7
539.34296	100.0
540.34686	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	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
61.98826	21.2
65.00317	0.8
71.01378	4.2
71.51369	0.7
72.99302	0.8
73.02930	1.0
89.02414	0.6
101.02437	1.0
109.02949	1.5
113.02449	0.7
115.00362	2.6
121.02937	1.9
133.01413	2.5
134.03685	0.6
135.04498	0.8
141.33101	0.8
148.86278	0.6
161.04654	0.7
165.01910	8.8
187.07689	0.8
193.01372	1.0
199.03990	0.7
211.13344	1.5
227.03363	1.8
243.02917	2.2
255.02922	1.3
263.86444	0.6
269.04593	1.4
271.02451	33.5
285.03979	2.2
299.01938	60.0
300.02505	7.6
314.04291	74.1
315.05045	32.3
316.05380	1.7
355.04745	0.6
404.31601	0.6
407.17310	1.2
433.12454	0.7
477.10339	100.0
478.10638	9.4
479.31870	1.0
532.08093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93986	0.5
55.80634	0.4
59.01377	2.6
61.98829	1.3
64.40772	0.5
69.66009	3.1
71.01373	4.3
73.32224	0.5
75.00909	0.6
83.05014	0.5
86.63651	0.5
89.02422	0.7
92.05073	0.6
94.06625	0.8
96.96053	0.7
101.02469	0.6
106.06647	0.5
107.03770	6.6
109.02955	1.1
110.02515	0.9
112.04031	2.5
115.00359	3.2
116.05069	7.9
120.04559	1.0
122.06125	44.8
123.03240	4.8
123.04571	0.7
123.06497	0.6
124.04042	3.8
124.07638	0.9
132.04530	7.0
133.01421	3.0
134.06152	1.5
135.04532	2.6
138.05608	16.2
139.02724	2.7
140.07161	0.9
149.75204	0.5
149.76720	0.5
150.05650	0.9
152.07169	100.0
153.01930	1.8
153.07513	2.3
158.02493	2.9
160.04031	28.0
161.04384	0.8
162.05632	0.6
164.07149	5.5
166.05066	0.7
172.04108	1.0
179.03476	1.2
182.04572	0.8
184.06149	3.1
190.05084	12.5
191.05530	1.0
192.06654	69.0
193.06989	2.4
201.23863	0.5
204.06628	1.6
212.10744	0.6
213.10356	0.5
241.76152	0.5
248.20900	0.6
251.08174	0.6
255.11241	2.3
256.09741	1.2
267.11392	0.8
273.15027	0.6
281.09308	3.5
293.09317	2.4
295.10803	0.7
297.12360	0.6
299.10306	0.5
323.10257	1.0
325.11902	33.2
326.12228	2.2
329.14954	1.6
345.16949	0.8
355.13000	11.5
356.13477	0.6
357.14520	55.2
358.14890	3.9
436.14505	0.9
446.17068	3.3
464.18237	13.1
465.17007	2.0
468.17639	1.9
478.19830	1.2
490.16196	3.1
496.21094	1.5
508.17145	17.0
509.17368	1.9
522.18738	5.0
539.34332	1.0
540.19836	10.5
540.34216	1.5
541.19684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
57.03450	2.6
58.00578	1.2
59.01376	35.4
60.64508	0.3
61.98820	1.2
71.01378	32.6
72.99302	2.8
73.02943	6.8
75.00875	2.5
75.86515	0.3
76.43302	0.4
78.63983	0.3
81.08395	0.3
81.22319	0.3
83.01388	3.8
83.05019	0.4
85.02946	10.1
87.00876	2.2
87.04507	1.3
87.96529	0.3
88.98760	0.4
89.02439	22.6
95.01385	2.4
96.95995	0.9
97.06628	0.4
99.00880	1.7
101.02436	20.0
109.06597	0.4
111.00864	0.4
113.02444	10.9
113.09684	0.4
115.00357	2.9
119.03490	8.7
122.06075	0.4
123.08154	1.1
125.02447	0.7
129.01878	0.6
131.03487	0.7
133.01433	4.6
135.04526	1.6
140.35988	0.3
143.03490	1.4
143.10738	0.8
144.05693	0.4
149.04622	0.4
149.09650	0.4
153.09239	1.7
155.10715	0.3
159.02988	0.8
161.04549	3.3
167.10765	0.9
169.07088	0.3
169.12352	0.5
173.11804	0.9
177.01868	0.7
179.03490	1.1
179.05557	4.1
179.10815	0.4
187.04022	0.4
187.07637	0.5
187.13399	2.2
191.03642	0.4
191.05574	0.7
209.11845	0.5
216.13631	1.0
217.14439	2.3
221.11864	0.5
291.10840	0.4
325.14380	0.5
331.24988	0.7
343.15591	0.5
357.26694	0.4
359.27835	0.6
361.16513	0.8
361.26114	0.4
375.27466	3.2
377.29037	30.1
378.29413	1.9
423.16443	0.6
479.24905	2.4
497.25854	1.7
539.34296	100.0
540.34686	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	539.2623
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
54.06976	0.6
54.93307	0.7
55.86136	0.6
57.03429	0.8
59.01378	10.8
61.98823	4.7
69.82637	1.2
69.82980	3.6
71.01372	6.0
78.95901	27.7
83.05022	0.8
85.81055	0.6
96.96008	1.5
96.96962	3.1
99.08126	1.4
113.09682	2.3
115.00358	3.6
122.79453	0.7
123.08063	0.9
127.07605	0.7
129.09229	2.8
133.01407	3.1
133.02992	1.1
139.11275	0.8
150.98006	1.0
152.99586	40.0
153.12802	1.0
161.29437	0.7
167.14384	1.5
169.12315	1.0
171.00648	2.4
171.10257	1.4
175.11351	0.8
178.02611	1.2
181.12325	3.0
183.13870	2.0
187.07516	0.8
193.12265	0.9
195.13824	0.8
197.11816	7.5
199.13408	3.9
209.11769	1.0
211.13385	12.3
227.03197	3.6
245.04192	1.8
249.22168	1.2
275.20178	1.3
283.13284	0.7
293.21216	16.0
311.22238	37.5
312.22620	2.0
318.12408	0.8
349.39185	0.9
353.52103	0.8
447.21295	1.7
479.26163	1.0
539.26202	100.0
540.26538	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	539.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56605	1.0
55.01855	1.5
58.00611	1.0
59.01379	100.0
59.77014	1.1
61.98812	2.4
68.09443	1.0
69.03446	1.7
70.52419	2.3
70.52763	1.8
71.01378	29.7
72.99290	2.2
73.02948	23.5
83.01383	5.2
85.02917	5.2
87.00857	1.6
88.98797	1.4
89.02444	13.0
96.96018	2.4
101.02441	20.4
113.01738	1.1
113.02457	16.2
115.00348	2.6
119.03487	4.5
131.03470	1.6
133.01390	5.0
135.04486	2.0
143.03471	2.8
149.04567	1.9
149.06075	1.4
151.07629	8.0
152.08417	10.6
161.04543	5.8
164.07178	1.4
165.09169	1.8
168.64819	0.9
172.10875	3.9
178.48076	1.1
179.03481	4.1
179.05637	1.2
194.44936	1.1
198.68637	1.0
203.10770	3.0
217.12244	2.8
273.18600	4.1
275.09186	1.4
291.19611	3.7
333.20575	1.1
343.17517	1.2
394.61655	1.0
435.23834	39.6
436.24335	3.0
453.24878	24.0
454.25027	1.4
495.25946	35.4
496.26321	3.8
509.24011	2.9
539.24963	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01378	100.0
60.01702	1.3
61.98827	5.7
70.52402	2.6
71.01381	32.0
72.99294	1.9
73.02943	18.4
75.00850	1.3
83.01379	5.7
85.02946	6.4
87.00877	1.8
87.04488	0.8
88.98781	2.3
89.02438	13.7
95.01382	2.8
96.96016	6.7
97.02923	0.8
99.00854	1.8
101.01804	1.6
101.02435	21.5
108.17863	0.9
113.02444	20.4
115.00376	5.5
119.03490	5.0
124.67252	0.8
131.03485	2.6
133.01413	6.5
135.04546	3.0
136.05278	1.7
143.03465	2.5
149.04535	2.4
151.07658	12.3
152.08434	12.6
155.03499	0.9
161.04538	10.2
169.13673	0.9
179.03479	3.6
179.05562	1.8
203.10793	1.0
211.13396	2.7
217.42799	0.9
227.07101	0.9
243.73137	0.8
301.16754	1.0
333.20523	0.9
335.22165	4.6
394.80112	0.9
411.89822	0.8
416.46112	0.9
423.16037	0.9
435.23840	18.2
436.23853	1.3
453.19717	1.1
453.25040	8.6
454.25009	0.9
495.25967	7.9
496.25931	1.4
539.25647	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56297	0.3
57.03430	0.6
59.01376	7.5
61.98824	5.0
69.03448	4.8
71.01379	9.2
72.99305	3.6
73.02933	0.5
83.05003	0.6
87.00869	4.0
89.02441	0.7
96.96004	0.4
97.06620	0.3
98.19923	1.2
101.02420	0.7
109.02930	0.4
109.06580	0.6
115.00370	7.8
127.96901	0.3
133.01430	7.2
134.03711	0.8
135.04504	1.0
137.50505	0.3
147.04501	0.8
149.06070	0.3
158.03697	0.7
159.04482	0.5
171.04523	2.9
172.05205	0.6
173.06027	1.7
174.03258	0.4
174.06813	0.5
175.04002	0.7
175.07590	1.3
177.01880	0.4
179.03517	0.6
186.06879	0.7
187.07660	2.0
188.28697	0.4
189.05534	0.7
199.07626	1.7
200.04823	0.5
200.08414	3.1
201.05635	1.5
201.09183	1.4
202.06070	0.4
203.07111	0.9
205.08650	0.4
211.07597	0.9
214.06345	2.0
215.07059	1.6
217.08656	1.3
218.09444	1.1
229.08694	2.3
230.09389	2.8
231.10141	1.1
232.07378	1.3
232.11069	0.9
243.06615	0.5
247.09715	2.9
248.10503	1.8
249.11246	0.4
249.18352	0.5
261.18533	1.0
262.12030	0.9
271.13339	0.4
274.08398	0.8
275.20047	1.1
279.12421	0.4
283.13516	0.4
297.14941	2.1
303.19482	0.4
311.12820	1.3
315.15869	0.5
327.15985	2.3
329.25043	0.4
331.22852	1.1
333.20712	0.4
345.17026	1.2
359.18695	0.6
371.15018	2.4
372.15332	0.5
373.19202	0.3
375.25467	1.9
377.19638	0.7
389.16037	5.3
403.17822	0.8
421.19226	3.3
421.25912	100.0
422.26260	8.1
474.30597	1.9
493.29752	0.4
537.26813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38591	1.5
59.01377	100.0
61.98833	3.6
62.47134	1.3
69.03452	9.0
69.33702	11.6
69.83667	1.3
71.01378	34.5
72.99306	6.2
73.02949	5.7
83.01377	3.2
85.02943	8.3
87.00872	33.4
89.02436	1.6
93.03461	1.3
95.01369	2.8
97.06624	1.4
97.67474	1.3
98.19863	3.0
99.00929	2.3
101.02434	9.0
105.03472	8.6
107.05013	2.6
113.02444	4.5
115.00375	22.1
117.31241	1.3
120.63471	1.4
123.04490	1.5
132.68098	1.4
133.01425	15.7
133.02914	2.6
134.03700	3.0
135.04457	2.6
137.02382	3.3
145.02945	2.8
147.04506	3.0
149.06107	1.6
158.03728	3.3
159.04459	1.3
163.07629	2.2
171.04514	3.3
172.05273	3.5
173.06009	3.8
174.06792	1.9
177.01881	3.0
178.02707	5.6
179.03465	2.3
182.03741	1.8
186.06868	10.1
187.07637	11.4
199.07677	1.8
200.04787	3.4
200.08360	1.7
201.05513	8.1
201.09218	4.4
202.06412	1.7
203.07025	1.4
211.07637	6.2
214.06340	17.6
215.07089	9.0
217.08589	2.1
229.08691	10.5
230.09433	6.2
231.10248	2.3
247.09676	2.1
248.10503	2.9
249.11459	2.5
262.12146	1.9
265.10767	3.3
274.08438	4.7
275.09241	1.8
280.13116	2.8
289.18109	4.7
311.12875	5.0
327.15622	2.8
327.18576	1.9
345.19672	6.5
371.14938	18.4
387.20389	2.5
389.16071	19.2
395.20587	1.5
403.17429	2.4
421.18008	2.6
433.22107	2.9
451.23376	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38514	0.4
55.01887	0.8
57.03453	1.0
58.00600	2.3
59.01376	59.5
63.30545	0.5
63.67779	0.5
69.62059	3.4
71.01377	43.5
72.99309	3.8
73.02951	1.8
80.98099	0.5
83.01385	1.6
85.02943	6.6
87.00886	2.8
89.02440	51.8
90.02776	0.7
93.03523	0.6
95.01389	2.6
96.96019	1.6
98.20634	0.9
101.02433	22.9
108.02174	2.0
109.02949	7.7
113.02440	13.6
115.00395	3.9
119.03497	22.4
121.02946	1.4
123.00870	1.4
123.04540	2.2
124.01648	0.6
125.02471	1.2
131.03502	3.2
133.01440	3.8
134.03587	0.5
135.04538	2.2
136.01654	17.2
137.02434	2.4
143.03488	3.3
143.05054	0.9
145.01405	0.6
146.03740	0.7
147.04485	0.6
149.02451	0.6
149.04492	2.6
151.03989	19.6
155.10796	1.5
157.06599	0.6
159.04463	2.7
160.05257	1.0
161.02443	0.9
161.04552	3.6
161.05928	1.2
163.03998	1.1
164.99936	0.6
171.04509	2.3
172.05292	2.0
173.06073	2.2
175.03949	0.7
175.07578	0.9
176.04712	0.7
179.05611	9.9
179.07043	1.1
187.04001	6.2
187.07602	0.6
188.04836	2.8
190.06325	0.7
191.07129	1.0
196.32532	0.6
199.09737	1.5
200.04744	0.7
201.05545	1.6
202.06352	5.9
203.07051	3.0
215.07124	0.7
235.07602	1.2
251.07094	2.0
262.06186	1.1
263.07074	4.9
264.07877	0.7
267.06583	0.8
269.13168	0.6
275.06955	1.2
275.09576	0.7
277.08694	1.2
278.06021	1.1
278.09409	2.9
278.76822	0.7
279.06613	6.6
280.07281	1.6
281.08218	0.9
291.06741	2.5
293.08188	1.6
294.05652	0.9
294.08856	4.6
295.09769	2.1
297.11276	2.0
306.08987	0.7
307.09622	1.6
308.07010	1.1
308.10519	1.7
309.07684	5.1
309.11353	4.8
312.10031	1.1
315.10526	0.6
323.09171	5.4
324.09985	15.7
325.10547	0.9
327.08652	1.0
327.12357	11.3
328.12537	0.6
339.12326	100.0
340.12659	7.5
345.13354	1.5
357.13419	3.1
375.14365	1.4
410.59933	0.5
519.18671	4.2
537.19708	34.7
538.19958	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03448	4.6
58.00613	1.7
59.01378	100.0
60.99331	1.9
61.98817	13.0
69.83369	9.7
71.01379	63.9
72.99317	13.7
73.02941	30.6
83.01395	4.9
83.05019	6.5
85.02959	7.8
87.00879	17.7
88.98803	3.1
89.02448	7.3
95.01403	2.4
96.96027	3.8
99.00900	2.4
101.02436	27.9
113.02434	17.9
115.00369	33.7
123.08213	2.6
125.02477	2.3
133.01428	34.3
133.02928	1.9
134.03743	2.0
135.04597	3.1
137.02431	2.7
137.09717	19.2
143.03450	3.1
147.04584	2.1
149.04576	2.2
151.07675	5.0
152.08368	4.7
153.09192	8.1
155.22603	1.5
158.03722	2.4
161.04556	9.5
161.06061	3.2
163.07735	2.3
165.09125	2.0
171.04543	13.0
172.05275	4.3
173.05939	3.9
173.09761	1.7
174.03154	2.2
174.06818	3.1
175.04051	2.8
175.07622	5.9
177.05531	2.2
178.02721	2.8
178.10059	2.9
179.03510	4.4
186.06795	4.0
187.07619	8.6
199.07687	8.1
200.04781	2.9
200.08455	13.2
201.05550	7.8
201.09227	5.7
201.12871	2.8
203.05594	5.6
203.07184	4.8
205.05112	2.2
211.07652	3.6
213.12862	2.9
214.06343	7.9
215.07068	3.3
215.10629	3.1
217.08707	8.3
217.12250	9.5
218.09398	2.0
229.08652	10.3
230.09396	6.9
231.10236	3.0
232.07394	8.2
232.10979	4.3
247.09726	7.7
248.10512	6.6
249.11292	2.1
262.12128	5.0
271.13522	3.3
271.16971	26.3
271.66745	1.8
274.08481	2.9
283.13181	3.2
289.18079	49.0
297.14923	7.8
299.84491	1.8
311.12915	4.5
327.15961	10.4
329.13977	3.5
340.14700	1.8
345.17068	4.6
371.14786	12.2
377.19614	2.2
389.16016	20.2
403.17728	3.0
403.29709	2.1
421.18637	14.5
421.25546	2.7
422.19104	2.2
433.22556	11.4
451.23358	6.9
493.24408	10.2
537.24115	2.2
537.33136	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46804	0.8
51.09915	0.8
55.01864	1.9
59.01376	36.7
61.85368	0.9
61.98820	13.6
69.03429	1.5
69.34138	8.0
71.01380	19.7
72.99306	3.7
73.02937	5.1
75.00876	3.7
83.01371	2.8
85.02491	1.4
85.02934	7.8
86.00110	1.5
87.00874	5.0
89.02450	3.7
89.44848	0.9
93.03425	1.0
96.96007	4.1
97.02921	1.5
97.15127	0.9
99.00877	2.0
101.02441	10.2
106.35890	1.1
111.00843	1.3
113.02419	4.1
115.00352	7.1
122.33286	1.1
124.01646	2.3
125.02475	1.7
127.11217	1.1
133.01419	8.2
133.02946	1.2
134.03711	1.5
135.04518	5.9
137.02411	1.2
167.12444	1.0
174.03076	1.1
177.01897	1.6
178.02731	1.8
179.03450	4.3
181.20305	0.9
187.03960	1.3
188.04585	1.0
191.05551	4.8
203.03458	1.2
216.04291	1.7
260.06857	1.2
269.21225	4.3
278.08008	1.6
287.22253	37.9
288.22498	1.4
299.22498	1.1
331.25012	1.2
342.81152	1.0
343.11774	2.2
343.15500	1.1
387.14563	1.8
431.26395	14.8
449.27490	38.2
450.27832	3.3
491.28577	100.0
492.28928	7.6
493.30460	1.6
508.66928	1.1
535.22711	2.6
535.31104	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	536.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94257	0.2
59.01374	1.2
61.98827	100.0
63.72159	0.2
69.53835	1.1
71.01392	1.3
73.02915	0.2
87.80907	0.2
89.02442	0.9
96.96023	0.7
109.02954	0.5
111.00895	0.2
111.04506	0.2
113.02387	0.2
115.00374	0.9
125.43352	0.2
128.03563	0.2
133.01433	1.3
134.03737	0.4
134.92215	0.2
135.04521	20.7
136.04834	0.8
137.02444	0.3
140.00861	0.2
177.05516	0.3
178.02687	0.6
179.03485	32.3
180.03853	0.9
182.00099	0.2
183.06670	0.3
191.05605	0.3
211.45789	0.2
218.48378	0.2
221.04517	0.9
227.49704	0.2
229.01341	0.7
231.15509	0.2
262.10898	0.4
281.05762	0.2
311.07803	0.6
323.07883	0.2
339.12085	0.3
341.08789	1.8
376.13974	0.5
473.12967	37.6
474.13394	2.3
531.70898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
57.46815	0.6
58.02968	4.7
59.01380	10.5
61.98825	15.4
66.03463	0.7
71.01377	3.7
72.99291	0.7
73.02953	1.1
74.02473	9.5
82.02979	1.6
83.05029	1.1
85.02936	0.9
86.02484	4.4
87.05621	2.5
88.98809	1.3
90.00192	1.3
95.05018	1.6
96.95990	2.0
97.04054	1.9
99.05640	9.7
101.02435	1.2
101.07201	1.0
102.05597	2.1
105.01952	1.1
109.04063	1.4
111.05630	1.4
113.02417	1.2
115.00351	2.6
121.06557	0.7
123.04398	0.7
125.03572	0.9
127.05124	2.3
128.03534	29.6
133.01405	2.7
135.04539	1.3
135.05615	2.3
135.08144	0.9
141.06691	1.9
141.40439	0.7
143.04608	38.7
145.06161	1.7
146.04582	3.9
153.06662	2.2
160.00742	9.6
161.09702	11.1
164.08359	2.0
166.09814	1.2
167.04568	2.1
167.08240	1.4
177.01999	0.8
177.03331	3.7
179.04646	6.9
179.10762	52.5
180.11063	2.2
181.06137	0.9
185.05678	0.7
192.07864	1.0
197.05719	1.3
199.39664	0.7
205.12308	1.1
209.11847	1.3
210.08803	8.0
223.13472	1.3
242.08029	0.7
243.00266	0.7
254.07785	9.6
272.08859	14.3
288.06601	7.3
306.07623	100.0
307.07938	4.1
383.17181	2.4
534.20984	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	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
58.02964	0.5
59.01383	6.9
61.98828	44.0
69.44316	2.0
69.44729	1.0
71.01366	2.8
73.02944	2.7
74.02471	1.4
76.89501	0.3
79.05531	1.7
81.03460	1.6
83.05027	1.1
85.02967	0.4
85.04380	0.4
87.00880	0.4
87.05659	0.5
89.02464	0.7
95.05022	5.3
96.96013	1.2
98.19903	0.7
99.05627	1.1
101.02446	0.8
109.06554	1.0
115.00342	1.7
119.08694	0.7
120.01257	1.2
121.06582	1.4
123.04527	1.5
124.01903	0.4
128.03532	4.0
133.01431	1.6
135.04543	0.6
135.05545	0.5
135.08160	1.1
137.09698	1.6
143.04610	4.9
145.06491	0.5
146.04581	0.8
147.94060	0.4
149.09714	1.1
151.11272	1.6
159.08138	1.1
160.00731	0.6
161.04480	0.5
161.09712	25.2
162.10027	0.5
164.08414	4.7
177.09155	0.5
179.04643	1.2
179.10767	100.0
180.11107	3.6
187.11276	0.9
190.10004	1.3
203.05586	1.5
205.12326	15.3
206.12631	0.7
206.66090	0.5
210.08818	1.4
223.11131	0.6
223.13374	11.6
224.13663	0.5
241.08987	0.4
254.07825	1.8
266.12045	0.5
272.08865	3.4
306.07657	7.5
373.13028	1.0
383.17032	4.4
393.41531	0.4
421.81882	0.5
534.21088	2.7
535.26141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01374	2.5
62.01732	0.2
67.01881	0.4
70.87873	0.5
71.01376	3.0
72.99300	0.2
73.02949	1.7
75.79184	0.2
76.62917	0.2
81.03493	0.3
83.01373	0.5
83.05025	0.4
85.02943	8.8
86.74451	0.3
87.00867	5.2
89.02439	1.4
93.03449	3.0
94.03606	0.3
99.00858	0.7
99.04517	0.4
101.02431	2.4
109.02960	0.7
111.04538	1.1
112.72358	0.2
115.00341	0.4
115.03940	0.3
117.01945	4.0
119.03505	1.4
127.04008	2.3
129.01923	2.5
130.08157	0.2
137.02541	0.3
147.02956	1.7
162.94746	0.3
171.03008	0.5
173.04485	1.0
184.93716	0.3
191.01984	3.4
191.05594	100.0
192.05930	2.5
219.79433	0.2
270.98975	0.3
341.10947	0.5
508.83652	0.2
544.21991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
58.02974	3.3
59.01376	8.5
61.98828	29.1
63.66524	0.4
70.15444	1.3
71.01380	1.8
72.00919	0.7
73.02942	1.7
74.02468	7.7
74.45464	0.4
79.05520	2.4
81.03461	1.8
82.02969	0.9
83.05013	1.1
86.02477	3.1
86.99066	0.5
87.05634	1.6
88.98842	0.5
89.02425	0.5
90.00218	0.5
95.05032	4.9
96.95991	0.5
98.19949	0.6
99.05637	5.5
101.02441	1.3
101.07202	0.9
102.05601	0.6
105.01910	0.8
109.04081	1.1
109.06614	0.7
111.05636	1.0
112.04027	0.5
113.02399	0.5
113.07230	0.6
115.00349	0.9
116.01769	0.9
119.08723	0.7
121.06580	1.0
123.04501	1.4
123.05578	0.5
125.03556	0.8
127.05122	1.3
128.03537	16.3
133.01398	1.2
135.05611	2.2
135.08105	1.0
137.09760	0.7
141.06676	1.6
143.04610	24.7
145.06174	1.2
146.04541	2.7
149.07124	0.5
149.09689	0.7
151.11302	1.2
153.06674	1.6
157.39566	0.4
159.08192	1.6
160.00729	5.8
161.09708	20.3
162.10072	0.9
164.08429	4.2
166.09787	1.0
167.04591	1.4
167.08249	2.0
171.04117	0.5
177.03427	2.7
179.04695	5.6
179.10762	100.0
180.11130	3.2
181.06091	0.7
185.05621	0.9
185.14900	0.5
187.11264	0.6
190.10010	0.5
192.07852	0.6
197.05708	0.8
201.69685	0.5
203.05606	1.1
205.12332	3.7
209.11737	0.9
210.08841	5.0
223.13338	2.3
242.07820	0.6
254.07816	5.8
272.08868	11.3
288.06625	4.5
306.07620	66.7
307.08032	2.4
383.17053	4.4
400.30469	0.5
503.16916	0.5
534.20972	4.6
535.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31370	0.3
59.01378	5.4
61.98815	0.7
68.53542	0.4
69.13485	0.8
69.13894	3.0
71.01382	12.4
72.99297	1.4
73.02940	1.0
74.02454	0.6
83.01395	0.4
85.02946	1.0
87.00871	16.7
89.02444	0.5
91.05532	10.1
93.03455	0.5
96.96034	0.6
98.19882	0.7
99.00879	0.4
101.02450	1.0
102.57330	0.3
108.02164	1.0
108.27042	0.3
109.02942	0.5
112.98766	0.4
113.02465	0.6
115.00369	35.2
116.00694	0.5
121.02994	0.6
123.04523	0.5
127.00400	0.6
127.04031	0.4
128.03554	0.5
129.32648	0.3
132.02975	0.4
133.01440	3.4
133.03000	0.5
134.03694	0.4
135.03012	0.6
135.04533	3.0
152.01126	2.4
161.02483	0.7
163.04004	31.6
164.04384	1.0
175.02466	100.0
176.02809	2.2
179.03520	0.5
187.04036	0.4
191.05617	3.2
193.05022	1.0
201.01570	0.4
207.06639	0.3
233.04405	0.8
244.54517	0.4
301.27393	0.3
309.06152	0.8
359.07657	0.4
475.11920	0.5
532.25928	1.2
533.15021	2.6
533.26373	0.7
545.22632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01381	1.5
59.01628	0.3
67.01880	0.7
67.97640	0.3
69.32814	1.9
69.33223	0.6
69.51011	0.3
71.01373	2.1
71.75002	0.3
83.01375	0.4
85.02944	8.1
86.27522	0.3
87.00867	4.7
89.02438	0.5
93.03462	3.0
93.55412	0.3
101.02454	1.6
109.02918	0.7
111.04522	0.8
112.66257	0.3
119.03482	0.8
127.04018	2.1
129.01941	2.4
137.02396	0.3
147.02963	1.4
148.94933	0.4
173.04514	0.8
173.92990	0.3
191.02083	3.5
191.05594	100.0
192.05920	2.5
210.79803	0.4
423.43213	0.3
488.49286	0.3
508.60855	0.3
541.29602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66427	0.5
52.75253	0.6
53.76382	0.7
55.01886	0.6
57.03434	1.1
58.00590	0.9
59.01376	100.0
61.98825	4.6
69.03467	0.9
70.60393	1.9
71.01378	23.8
72.25646	0.6
72.99303	1.4
73.02943	14.2
76.40169	0.7
83.01382	3.2
85.02937	4.4
87.00881	1.6
89.02435	8.9
95.01356	1.0
96.96027	5.3
99.00893	1.1
101.02437	13.8
102.40884	0.6
105.03478	1.2
113.02445	7.1
115.00353	5.2
119.03517	3.7
121.02883	0.7
125.02481	1.0
131.03520	0.8
133.01419	2.7
133.02943	6.5
134.03815	1.1
135.04507	1.4
137.02451	1.5
143.03534	0.7
145.02878	0.8
151.82069	0.7
161.04541	2.0
177.01900	5.3
179.03534	1.4
179.05562	0.7
207.02933	1.1
222.05295	1.7
237.07649	1.6
253.17963	0.7
265.18225	1.2
271.30563	0.7
299.18536	2.1
307.08478	0.9
385.22296	0.8
411.18204	1.0
415.10107	0.9
415.23273	14.9
415.28699	1.4
416.23669	1.3
427.23431	1.7
445.24411	5.2
469.24393	5.7
487.25439	91.4
488.25735	7.7
531.18414	4.7
531.26508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90808	0.7
55.29248	0.7
58.15974	0.8
59.01385	4.8
61.98848	0.9
63.99252	0.8
65.91555	0.7
67.01842	1.6
69.03455	0.8
69.24915	5.8
71.01371	7.6
72.40523	0.7
72.99331	0.8
73.02940	2.1
75.00868	3.1
77.49277	0.9
83.01381	11.6
85.02945	2.5
87.00873	14.2
92.88312	0.8
93.03436	1.2
95.01398	1.0
96.95979	1.4
97.02962	1.1
99.00860	3.1
99.40929	0.8
100.01621	1.4
101.02438	1.0
105.35439	0.8
108.02152	1.7
109.02943	9.9
111.00874	18.4
113.02421	4.5
113.99562	2.4
115.00372	31.9
121.02927	1.8
122.03716	3.2
123.04507	3.1
125.02390	4.1
128.01128	1.9
129.05566	1.3
133.01443	2.1
133.02916	2.5
134.03712	1.1
135.04512	7.4
137.02406	3.1
138.99324	1.5
139.00371	21.3
139.01437	1.3
139.03978	2.9
145.02940	1.1
146.03712	1.8
147.04485	1.7
148.01549	0.9
149.02400	8.2
149.06071	3.2
150.03207	2.8
151.03992	1.2
155.03473	2.0
156.00641	19.5
157.01411	22.9
157.02701	1.4
159.04561	1.2
161.02402	5.9
163.03970	4.7
165.01956	1.0
173.02440	1.7
174.01694	22.9
174.03159	2.8
175.02484	26.4
175.03961	3.2
176.01176	1.7
176.02753	0.8
177.01920	5.8
177.05525	1.8
178.02614	1.7
187.04001	2.6
188.04834	1.1
189.01990	1.8
189.05554	1.3
190.02707	3.3
191.03502	8.3
191.05281	1.6
193.05026	32.3
194.05383	1.1
194.22971	0.7
195.06635	1.6
201.01891	2.8
201.05455	1.0
203.03481	4.7
203.07056	1.1
205.01398	4.6
205.05034	3.1
205.06975	1.1
206.02156	8.0
206.05768	1.8
207.06609	17.1
213.05573	0.8
215.03474	3.6
216.04192	2.6
217.05167	0.8
219.02997	1.7
219.06598	3.0
222.05301	2.6
223.06087	3.3
231.02971	1.3
231.06627	2.4
233.04544	13.5
234.05298	16.1
235.06020	1.1
237.04079	1.0
247.02478	0.9
247.06093	2.3
251.05580	7.0
257.04474	2.3
259.02466	1.0
261.04001	1.2
261.07611	0.9
265.07333	0.9
275.05582	7.3
277.04047	0.8
277.07150	2.0
279.05325	4.2
279.08331	4.0
281.06619	1.0
289.07147	10.8
307.08203	100.0
308.08597	4.1
309.06216	7.2
333.06158	0.8
351.07254	2.1
355.10297	2.1
356.92197	0.9
369.08212	1.0
413.10840	2.9
441.10437	2.3
451.12595	1.5
469.13507	8.0
471.11423	14.5
472.11459	1.1
481.10312	1.5
495.11365	4.6
513.12738	5.7
527.39478	0.8
531.13617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95613	0.4
59.01075	0.5
59.01376	9.6
61.98826	7.2
70.79914	1.0
71.01377	17.5
73.02982	0.6
75.00891	0.5
77.03954	2.7
79.95743	2.6
80.96502	1.3
83.01392	0.8
85.02953	1.3
87.00873	1.7
89.02454	1.1
89.03954	1.1
90.35465	0.4
92.92646	0.5
93.03462	2.0
95.05027	5.0
95.95231	1.9
96.96006	23.4
101.02443	2.0
101.03065	0.5
105.03458	15.1
111.75411	0.4
113.02450	0.7
115.00370	9.0
116.92839	1.7
121.02950	1.2
123.04499	1.1
123.89851	0.4
130.08736	0.5
132.02159	0.6
133.01349	2.6
133.02953	100.0
134.03810	8.1
135.04514	4.9
137.02444	4.9
138.97078	0.7
139.04007	2.1
147.00885	1.3
149.02422	0.6
150.03226	0.4
151.04047	1.1
161.04463	0.5
177.01929	91.4
178.02676	16.1
179.03496	8.4
193.05103	0.7
199.64540	0.4
207.02979	27.4
208.03345	0.6
222.05322	28.2
223.05661	1.2
237.07672	33.5
238.08029	1.7
256.99738	0.5
306.07559	0.5
313.06061	0.8
357.55865	0.5
371.11057	1.0
414.28799	0.7
415.10266	7.3
415.23444	1.1
487.25601	0.5
531.19098	20.9
531.27936	3.7
532.19440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09384	0.3
59.01360	0.5
61.98819	0.8
64.22050	0.3
71.01385	0.8
74.54799	0.3
75.17129	0.3
78.95902	16.9
85.02950	0.4
88.98810	0.9
89.02372	0.4
98.19923	0.6
98.88293	0.3
99.71939	0.3
113.02493	0.3
152.98543	0.4
152.99591	3.3
168.04295	2.6
176.59505	0.3
181.58047	0.3
196.89464	0.3
224.06903	9.5
229.16478	0.4
242.08028	1.8
255.23265	100.0
256.23608	4.7
279.23193	0.7
280.23715	0.6
306.53384	0.3
365.77817	0.3
480.30914	71.0
481.31204	5.2
530.30670	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	531.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01373	5.6
61.98832	7.3
69.36504	3.7
71.01378	11.7
72.99331	0.8
73.02943	0.7
75.00837	0.6
77.03962	1.9
85.02976	1.0
87.00887	1.3
89.02458	2.1
89.03976	0.8
93.03462	0.9
95.05021	4.7
96.95996	4.2
98.19820	0.9
99.04512	0.9
101.02449	1.8
105.03455	17.0
111.44154	0.5
113.02466	1.4
115.00367	8.3
119.03467	0.7
121.02968	1.0
123.04496	1.5
125.02459	0.7
133.01361	3.1
133.02953	100.0
134.03702	2.4
135.04520	4.1
137.02435	2.4
139.03987	0.6
147.00879	0.7
151.04036	0.6
161.04588	0.5
177.01917	90.8
178.02676	9.0
179.03500	5.7
191.05600	2.9
193.05046	0.6
207.02979	18.1
208.03410	0.7
212.13098	0.4
222.05313	17.3
223.05762	0.9
237.07663	21.1
238.07990	0.8
264.45016	0.4
296.06638	0.5
314.54538	0.5
339.08636	0.5
371.11243	1.7
383.07629	1.0
415.10379	7.4
531.19562	0.9
531.28070	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	531.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.39773	0.4
59.01384	6.3
61.98833	1.7
71.01379	35.9
72.99295	0.4
73.02950	1.4
77.03963	3.3
85.02930	1.0
87.00892	1.0
89.02436	1.9
89.03989	0.8
93.03438	1.2
95.01363	0.5
95.05029	5.5
96.95993	1.1
99.00878	0.7
101.02429	2.1
101.79134	0.5
102.98595	1.1
105.03458	16.5
109.02911	0.5
113.02422	1.3
115.00369	14.1
117.05579	0.5
121.02946	1.5
122.93655	0.4
123.04546	1.3
129.01884	0.5
133.02953	100.0
134.03809	4.0
135.04497	4.1
137.02432	3.8
139.04050	0.7
147.00868	0.9
151.03937	0.7
159.36523	0.4
177.01921	93.2
178.02696	12.1
179.03476	4.8
183.13838	0.5
207.02977	22.1
209.11864	0.5
222.05310	19.6
223.05725	1.1
237.07672	27.8
237.18585	6.2
238.07932	0.9
253.18074	3.4
299.72705	0.5
323.15939	0.9
371.11313	0.7
392.03577	0.5
415.10577	4.9
415.23367	29.1
416.23654	1.3
451.29929	0.5
497.78918	0.5
513.23859	0.6
530.30243	0.5
531.17773	0.8
531.29169	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	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20502	0.4
55.85512	0.3
59.01377	42.9
60.01703	0.4
63.72733	0.3
69.25753	3.0
70.56806	0.4
71.01376	7.8
71.05011	3.0
74.32053	0.3
80.18109	0.4
88.58540	0.4
89.03413	0.4
91.21749	0.3
97.06584	0.7
113.09768	0.8
114.09229	0.4
115.00365	9.4
115.07642	5.0
127.11270	4.5
128.11639	0.4
133.01398	2.6
137.09697	1.5
139.07631	1.3
142.12434	0.4
151.11324	0.7
152.77928	0.3
153.12892	0.7
155.10773	10.9
156.10269	2.9
157.08685	7.2
158.11861	4.1
164.14458	0.4
167.14427	0.7
169.12326	14.7
180.10301	1.5
181.08626	0.5
182.11865	0.9
182.15517	1.1
198.11354	0.6
198.15030	0.7
199.09764	1.1
200.12909	7.1
209.15453	1.2
209.19089	2.8
211.13361	4.7
212.16493	1.0
217.10818	0.7
254.17557	0.4
260.14978	1.2
271.15521	0.7
296.18518	0.8
314.19681	2.2
349.33820	0.3
355.46686	0.4
394.25726	0.7
412.26999	100.0
413.27362	7.1
467.29996	0.4
497.88593	0.4
544.16467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78045	0.3
58.00565	0.3
59.01376	8.0
60.26577	0.3
61.98832	2.4
65.52242	0.3
66.74436	0.3
71.01377	5.6
71.51579	0.5
73.02947	0.7
83.01368	0.6
85.02969	1.8
87.00871	1.1
89.02436	5.4
93.03429	0.7
94.38773	0.3
97.02913	0.4
101.01810	0.4
101.02441	6.2
111.08167	0.4
113.02444	2.5
115.00379	0.5
119.03491	1.6
120.95744	0.4
131.03546	0.5
133.02893	0.5
135.04535	0.6
143.03514	0.5
161.04535	3.4
173.04495	0.4
176.63902	0.3
179.03389	0.4
179.05598	1.2
179.14418	0.9
191.05598	0.5
195.13895	8.3
196.14436	0.4
205.12183	0.7
211.13400	0.7
223.13365	5.6
224.13676	0.3
228.13618	0.9
233.27409	0.4
239.12688	0.3
253.09259	29.8
254.09605	0.7
256.13098	0.8
265.21765	0.7
275.20135	4.4
276.20337	0.4
293.21198	100.0
294.21542	5.3
304.59180	0.4
492.21790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69574	0.1
55.97987	0.1
59.01371	0.8
61.98826	100.0
68.99559	0.2
71.01375	1.2
74.02469	0.2
78.41140	0.1
79.64633	0.1
87.00915	0.2
89.02464	0.2
92.83482	0.1
93.03467	0.5
96.96018	0.4
101.02433	0.3
115.00367	0.8
133.01392	0.4
135.04527	0.3
143.97940	0.1
173.04578	0.6
179.03419	0.3
183.43170	0.1
191.05629	0.2
199.76646	0.2
203.59526	0.1
396.26608	0.2
434.13339	0.2
467.15472	0.4
474.90286	0.2
530.24390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	56.5
60.01718	0.6
61.98828	11.5
63.01094	0.3
64.41747	0.3
71.01377	11.5
71.05023	0.8
71.51528	0.4
72.01709	0.4
72.99294	0.4
73.02946	1.3
74.72932	0.3
83.01380	0.6
85.02948	1.3
87.00851	0.5
89.02441	1.0
91.68904	0.3
93.03445	1.0
96.96023	0.9
97.06599	0.9
99.00902	0.4
101.02431	1.8
102.98605	0.4
105.03425	0.4
111.08157	0.3
113.02483	0.9
115.00362	9.6
115.07643	36.3
116.07987	0.4
116.92842	0.4
121.02948	1.4
123.08138	1.6
133.01431	3.3
133.02933	2.3
134.03690	0.4
135.04529	1.0
139.11284	0.6
141.09209	3.7
141.10213	0.4
143.54453	0.3
156.10304	2.7
158.11848	3.4
173.04507	0.5
177.01959	2.2
178.02669	0.5
179.03465	0.6
193.15939	0.5
207.02942	0.5
208.17195	0.3
209.11906	0.5
212.16531	0.6
222.05391	0.4
235.16966	0.5
236.17488	0.6
237.07617	0.8
251.16576	0.4
252.16789	0.3
396.27539	1.4
410.75925	0.3
413.21774	2.7
414.22339	10.0
414.28513	100.0
415.22986	1.6
415.28818	8.2
449.14224	0.8
467.15710	0.5
487.25064	0.4
510.61255	0.3
530.22449	0.6
530.29742	0.6
531.28137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43255	0.5
57.03446	4.2
59.01373	6.8
61.98825	24.2
64.42039	0.5
69.50067	2.7
69.50478	1.2
71.01379	22.6
71.05020	10.0
72.99278	1.0
73.02934	1.4
83.01382	0.7
83.05054	1.2
85.02947	1.7
85.06598	0.7
87.00871	1.0
89.02451	4.1
95.05006	0.7
96.95981	2.3
97.06609	0.5
101.02418	2.8
111.08170	2.8
113.02433	2.0
113.06087	2.8
113.09729	0.8
114.09210	1.0
115.00359	15.2
119.03498	1.0
120.51410	0.5
125.09697	0.8
131.07152	2.4
133.01419	5.3
134.03606	0.6
135.04506	1.5
139.11284	41.5
140.11607	1.1
141.09225	0.8
143.10776	14.6
177.01926	0.9
178.02628	0.9
179.05650	0.7
180.13977	0.9
183.10246	18.0
183.11867	0.9
184.10567	0.8
185.11813	8.9
191.05611	1.2
198.14952	1.5
198.32091	0.7
201.11305	17.4
209.11754	1.1
209.95348	0.6
210.14890	0.7
213.15096	0.6
226.14427	4.3
228.15842	0.8
244.15520	23.8
245.15805	1.3
253.18098	4.2
271.19080	1.4
297.17038	5.2
297.29111	0.5
298.20193	5.2
356.28052	0.7
364.24713	0.8
394.25879	2.6
412.26996	100.0
413.21725	1.7
413.27365	6.8
485.30634	0.9
498.23331	1.3
498.73334	0.8
528.28143	1.4
529.29999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01379	42.3
60.01697	0.4
61.98833	1.8
64.03003	0.2
65.58125	0.3
69.29827	0.3
69.34657	0.4
69.35061	1.7
71.01375	9.4
71.05015	5.5
75.11692	0.2
83.05032	0.6
89.02459	0.4
92.18751	0.2
93.94719	0.3
97.06589	1.0
98.20686	0.5
99.08165	0.5
111.08150	1.1
113.09735	0.6
114.09256	1.0
115.00371	8.9
115.07648	9.1
124.62083	0.3
128.10793	0.7
133.01421	3.0
133.02960	0.6
135.04549	0.6
137.09727	1.5
139.07660	2.0
140.10822	1.5
141.12880	0.4
147.87387	0.2
151.11287	0.7
155.10779	5.1
156.10291	9.3
157.08728	0.7
157.10649	0.3
158.11862	12.0
159.12263	0.3
167.14435	1.1
169.12334	10.1
170.12769	0.3
176.96663	0.3
177.01942	0.3
178.02635	0.3
179.03445	0.4
181.08632	0.5
182.11795	0.3
185.11827	1.0
191.14357	0.5
193.12338	1.2
199.73596	0.3
200.12886	0.3
206.15585	0.4
209.15445	3.8
209.19072	2.0
211.13382	11.4
212.13744	0.4
224.16565	0.5
227.12802	0.9
236.16617	0.7
253.14453	0.6
254.17726	0.5
271.15485	2.1
296.18628	2.2
314.19754	1.9
394.25919	0.3
412.27032	100.0
413.27353	7.7
528.27625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65083	0.2
59.01376	2.0
61.98825	2.3
70.70003	0.5
71.01373	2.1
73.02936	0.3
79.95732	2.4
83.73801	0.2
85.02943	0.4
89.02446	0.4
93.03436	0.2
95.48732	0.2
96.96004	66.2
98.95607	0.3
101.02418	0.7
107.65791	0.2
113.02455	0.4
115.00386	1.1
120.54424	0.2
123.01046	0.2
133.01442	1.3
135.04527	0.6
161.04556	0.2
170.56738	0.2
173.04482	0.2
179.03418	0.3
200.16193	0.2
231.10146	0.2
234.71590	0.2
339.09042	0.2
341.10831	0.5
355.12189	0.7
365.14316	0.4
367.11990	0.4
394.87076	0.2
408.62543	0.2
411.19907	0.9
527.26788	100.0
528.27142	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27827	0.7
57.03440	3.5
59.01378	15.0
60.64468	0.7
61.98820	3.4
67.01891	0.8
70.33466	2.3
71.01378	20.4
72.99301	5.2
73.02956	1.6
73.45528	0.7
75.00869	17.4
79.95759	1.3
80.96516	6.8
83.01400	0.8
83.05000	0.7
85.02946	22.8
87.00873	8.1
89.02444	4.2
94.07021	0.7
94.98109	2.5
95.01386	5.3
98.20521	1.2
99.00881	9.5
103.00392	3.3
111.00843	0.8
112.01759	0.7
113.02449	30.4
115.00372	2.3
117.01954	2.8
117.15734	0.7
129.01974	1.9
130.64186	0.8
157.01436	0.8
164.98607	1.2
173.74063	0.8
175.02530	3.0
193.03508	1.0
201.26076	0.8
205.07141	1.9
223.08144	0.8
225.00792	1.9
231.05118	1.4
246.12219	0.8
249.06163	6.6
267.07205	7.1
277.21710	55.1
278.22018	3.0
467.26248	1.2
509.27933	2.7
527.28748	100.0
528.29071	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	528.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.8
59.01383	3.0
61.98825	5.9
62.92039	0.2
69.03463	0.5
71.01379	17.4
71.05014	13.1
71.52123	0.3
71.52474	0.3
72.01727	0.3
72.99287	0.5
73.02950	0.4
73.87505	0.3
83.05013	1.4
85.06587	0.6
89.02455	0.7
91.01869	0.5
95.05016	0.9
96.08189	0.9
96.96021	0.8
97.06623	0.6
101.02431	0.6
109.02892	0.3
111.08153	3.5
113.02434	0.4
113.06078	2.3
113.09705	0.4
114.09241	1.6
115.00366	13.9
123.08109	0.3
125.09724	1.1
131.07140	1.2
133.01421	2.6
134.04750	0.4
135.00873	1.5
135.04509	0.4
137.09711	1.1
139.11282	44.0
140.11618	1.1
143.10770	19.2
153.01912	0.9
167.10727	0.3
174.11443	0.3
180.13899	0.5
183.10242	19.8
184.10565	0.8
185.11813	10.2
191.05623	1.0
198.15033	1.8
199.13371	0.6
201.11319	18.9
202.11690	0.6
209.11826	0.3
210.15031	1.1
224.12701	0.4
226.14516	3.4
228.16045	0.7
242.14017	0.4
244.15512	25.4
245.15869	1.0
253.18019	4.3
271.19193	1.2
283.09760	0.3
297.17038	5.3
298.20200	6.0
325.23767	0.6
339.07205	1.0
340.07724	0.4
364.24988	0.7
394.25964	2.5
412.26990	100.0
413.21817	1.9
413.27359	7.3
467.78036	0.3
528.27490	1.0
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	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
56.09280	1.0
57.03443	5.5
59.01376	44.9
61.76290	0.9
61.98822	8.5
65.03956	1.5
69.03462	5.3
69.56831	6.6
70.78979	1.1
71.01376	91.4
71.05002	1.8
72.99300	7.6
73.02934	23.5
75.00871	2.3
81.03450	2.2
83.01383	16.6
83.05035	1.8
84.02142	1.6
85.02940	35.5
86.00100	2.3
87.00866	10.5
89.02439	12.1
93.03448	16.9
95.01387	10.4
95.05016	100.0
96.05343	3.2
96.95982	2.1
97.02944	5.3
98.19859	1.1
99.00861	10.1
101.02431	34.7
109.02902	1.7
111.00867	4.8
111.04485	2.5
112.01657	2.6
113.02440	33.4
115.00332	4.6
119.03453	2.7
121.02900	1.1
125.02426	8.5
127.11310	0.9
129.01880	2.4
131.04965	1.0
133.01384	4.3
133.02924	3.9
134.03737	2.1
135.04507	2.5
137.02396	3.1
137.06175	1.1
143.03462	4.3
145.05093	1.2
149.05954	1.6
155.10699	2.7
159.02910	2.2
159.04353	1.2
159.87285	1.1
161.04535	7.7
167.07196	1.0
168.53008	0.9
169.12308	2.4
171.10146	1.5
173.11801	6.8
177.01865	2.0
178.02699	1.8
179.03397	1.7
199.09698	2.0
207.10364	1.0
207.13902	8.9
209.11787	3.9
209.15428	2.4
211.13426	2.2
223.17035	2.2
225.11230	2.4
227.12816	1.4
231.93355	1.1
233.11539	1.3
233.15451	14.4
251.16490	10.5
259.16858	1.3
279.15958	1.1
287.14957	3.4
305.16202	2.3
321.16638	1.5
339.18170	5.7
355.21082	1.5
365.19678	19.0
366.19946	1.5
383.20682	11.9
395.03552	1.2
407.20786	1.4
411.14340	2.4
411.25787	1.6
412.26901	13.9
431.19388	2.6
483.21851	5.2
509.23520	3.0
527.24829	45.9
528.25134	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
56.09280	1.0
57.03443	5.5
59.01376	44.9
61.76290	0.9
61.98822	8.5
65.03956	1.5
69.03462	5.3
69.56831	6.6
70.78979	1.1
71.01376	91.4
71.05002	1.8
72.99300	7.6
73.02934	23.5
75.00871	2.3
81.03450	2.2
83.01383	16.6
83.05035	1.8
84.02142	1.6
85.02940	35.5
86.00100	2.3
87.00866	10.5
89.02439	12.1
93.03448	16.9
95.01387	10.4
95.05016	100.0
96.05343	3.2
96.95982	2.1
97.02944	5.3
98.19859	1.1
99.00861	10.1
101.02431	34.7
109.02902	1.7
111.00867	4.8
111.04485	2.5
112.01657	2.6
113.02440	33.4
115.00332	4.6
119.03453	2.7
121.02900	1.1
125.02426	8.5
127.11310	0.9
129.01880	2.4
131.04965	1.0
133.01384	4.3
133.02924	3.9
134.03737	2.1
135.04507	2.5
137.02396	3.1
137.06175	1.1
143.03462	4.3
145.05093	1.2
149.05954	1.6
155.10699	2.7
159.02910	2.2
159.04353	1.2
159.87285	1.1
161.04535	7.7
167.07196	1.0
168.53008	0.9
169.12308	2.4
171.10146	1.5
173.11801	6.8
177.01865	2.0
178.02699	1.8
179.03397	1.7
199.09698	2.0
207.10364	1.0
207.13902	8.9
209.11787	3.9
209.15428	2.4
211.13426	2.2
223.17035	2.2
225.11230	2.4
227.12816	1.4
231.93355	1.1
233.11539	1.3
233.15451	14.4
251.16490	10.5
259.16858	1.3
279.15958	1.1
287.14957	3.4
305.16202	2.3
321.16638	1.5
339.18170	5.7
355.21082	1.5
365.19678	19.0
366.19946	1.5
383.20682	11.9
395.03552	1.2
407.20786	1.4
411.14340	2.4
411.25787	1.6
412.26901	13.9
431.19388	2.6
483.21851	5.2
509.23520	3.0
527.24829	45.9
528.25134	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98826	1.5
63.96227	0.8
69.03447	0.4
69.29547	2.4
69.86841	0.3
70.69829	0.3
71.01374	7.9
72.99314	0.5
73.02946	1.4
73.94893	0.3
75.00870	4.0
78.98586	4.3
79.95728	8.3
80.96510	50.4
81.03487	0.6
85.02946	2.1
87.00874	2.2
89.02418	0.4
94.98083	13.4
96.36440	0.3
96.96004	1.3
97.02950	1.5
99.00868	0.7
101.02433	3.1
102.83669	0.3
106.98067	2.0
110.52191	0.3
113.02442	0.7
115.00352	1.5
122.97556	2.8
125.02433	2.7
127.04010	0.8
130.96678	0.3
133.01460	1.7
134.97563	3.7
135.04514	0.9
136.99147	1.2
141.01923	0.4
143.03496	0.5
148.99110	4.7
152.98619	5.6
164.98616	9.7
167.00114	0.4
182.99675	0.8
206.99632	2.1
209.11813	2.7
225.00723	17.8
231.15942	0.3
259.61609	0.4
271.02478	0.4
272.02847	0.7
299.04422	2.9
301.03116	1.6
302.03723	0.4
337.50125	0.4
390.38605	0.4
464.09061	2.1
464.15109	0.3
527.17975	100.0
528.18329	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	527.2163
Annotation	Dutasteride
Peak:m/z	Relative Intensity
59.01377	35.1
61.98829	4.5
69.34028	2.1
69.34434	1.2
71.01378	11.6
72.99284	1.6
73.02940	1.5
75.00869	0.5
79.95745	2.1
80.96516	1.0
83.01356	0.7
85.02939	2.3
87.00867	0.5
89.02448	7.1
90.49157	0.4
92.94342	0.4
95.01375	0.6
95.95213	1.4
96.96006	41.0
98.20687	0.8
99.00854	0.6
101.02445	7.4
111.08170	2.3
113.02445	3.8
114.70465	0.5
115.00353	2.7
115.07647	0.9
119.03490	3.3
120.01231	1.8
125.02452	0.5
131.03502	1.0
133.01448	2.1
133.02954	0.6
135.04456	0.6
138.97058	1.8
178.02716	0.9
179.03407	0.5
185.11844	0.8
225.00745	1.1
227.12820	1.3
241.00177	3.7
267.19571	1.3
330.27521	0.4
362.13647	0.4
379.48737	0.4
411.25720	0.8
423.21924	0.6
429.24982	1.4
447.25940	8.8
448.26016	0.8
462.33701	0.4
465.21680	5.3
467.19519	4.7
527.21619	100.0
528.21771	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	527.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.4
71.01373	7.3
72.99321	0.9
73.02952	0.9
79.95760	0.7
80.96508	1.8
81.03439	1.3
83.01395	1.0
83.05025	18.7
84.02168	1.1
85.02959	2.1
87.00848	1.5
89.02460	4.2
90.60034	0.5
94.98072	0.5
95.01352	0.8
96.96001	10.1
97.06519	0.6
99.08140	0.7
101.02448	4.8
109.06578	2.4
113.02436	2.2
114.28169	0.6
115.00382	4.7
119.03498	1.4
129.05574	0.7
133.01427	5.0
134.17154	0.6
135.04480	0.9
135.08174	6.1
137.09721	2.2
143.73381	0.5
161.04523	1.9
163.03914	1.0
163.07619	1.3
179.03482	0.6
179.05600	0.9
179.37804	0.6
181.08691	100.0
182.08974	3.0
189.07695	2.4
191.05583	4.5
199.09743	15.6
199.11613	0.8
206.31142	0.6
209.11757	0.8
224.79982	0.7
225.00603	1.1
235.08208	1.0
253.09259	24.7
254.09735	1.0
291.35876	0.6
417.17508	1.6
435.18719	1.2
457.89999	0.6
475.39621	0.7
481.21237	0.7
527.16998	4.8
527.23969	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	527.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21000	0.3
59.01366	2.3
61.98820	1.3
63.96249	0.8
69.63058	1.8
71.01378	7.4
71.70227	0.3
72.99297	1.0
73.02943	1.6
75.00870	19.2
78.76355	0.3
78.95894	0.4
78.98586	4.6
79.77013	0.3
79.95728	8.0
80.96514	45.7
81.03442	0.8
83.01408	0.4
83.05007	0.6
85.02950	2.3
87.00869	2.0
94.98078	10.7
96.95986	1.7
97.02940	1.2
99.00862	0.6
99.29848	0.3
101.02435	2.0
106.98096	2.5
109.35423	0.3
113.02435	0.6
115.00375	1.4
115.62775	0.4
122.97581	2.5
125.02467	2.9
127.04025	0.8
133.01408	1.8
134.97580	4.2
136.99147	1.2
148.99130	3.9
152.98616	4.5
154.72453	0.3
164.98621	10.2
171.11906	0.3
174.01698	1.0
178.16805	0.4
179.03493	0.4
193.18886	0.3
206.99638	2.5
209.11784	2.6
225.00722	14.3
231.16023	0.5
299.04404	2.2
419.56912	0.4
452.33160	0.4
464.09229	0.6
527.17987	100.0
528.18317	6.1
541.37158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59106	0.3
57.03449	0.3
59.01383	2.4
60.45883	0.4
61.17832	0.4
61.98825	2.9
63.96239	0.8
69.03461	0.4
69.36736	2.4
71.01010	0.6
71.01379	8.1
71.69707	0.3
72.99313	0.7
73.02928	2.1
73.11338	0.3
77.87885	0.3
78.98590	4.8
79.95730	8.4
80.96510	50.0
81.03452	0.6
85.02953	2.5
85.81659	0.3
87.00865	2.5
89.02427	0.4
94.98079	12.3
95.01331	0.4
96.59620	0.3
96.96008	1.6
97.02943	1.5
99.00858	0.5
101.02426	3.3
106.98099	2.2
110.82554	0.3
115.00353	1.5
116.26197	0.3
122.97575	4.5
125.02457	3.1
126.32289	0.4
127.04030	0.9
133.01430	2.3
134.97575	3.6
135.04506	0.8
136.99113	0.7
146.97539	0.4
148.99120	4.6
152.98605	5.3
153.09123	0.4
164.98615	9.5
167.00148	0.6
182.99695	2.0
188.98563	0.4
191.05647	0.5
206.99602	2.9
209.11807	3.5
225.00737	19.1
243.01736	1.8
299.04382	2.4
439.14648	0.4
458.33731	0.4
527.17993	100.0
528.18262	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	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76225	0.2
59.01378	0.8
59.30828	0.2
61.98826	100.0
65.45065	0.2
69.19594	0.2
71.01369	2.2
71.50975	0.2
72.99319	0.4
73.02959	0.2
78.98596	0.2
79.95728	0.5
80.96511	2.6
85.02982	0.2
89.02443	0.5
91.37220	0.2
94.98106	0.7
96.96014	0.4
97.02952	0.2
101.02448	0.5
115.00366	1.4
133.01419	2.0
135.04529	0.5
145.07727	0.3
151.03984	0.3
152.98602	0.3
164.98666	0.5
188.08305	0.4
225.00786	0.7
226.01053	0.2
248.45447	0.2
328.12329	0.3
329.12936	0.3
422.75461	0.2
434.29440	0.2
484.19189	0.5
526.16626	3.0
527.17407	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	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	24.4
61.37893	0.3
61.98826	100.0
68.99562	1.1
69.98328	1.5
71.01379	3.5
72.99332	0.4
73.02949	0.4
76.63008	0.4
87.04510	37.4
88.04869	0.5
89.02430	0.4
90.55548	0.3
99.53813	0.3
101.02441	0.7
106.97778	0.3
112.98542	1.1
113.02434	0.5
115.00364	2.4
119.79500	0.4
133.01436	1.7
133.02989	0.5
134.03717	0.7
135.04485	0.5
160.01559	0.4
170.85446	0.3
177.01949	0.6
178.02606	0.4
191.59583	0.4
205.93193	0.3
209.11856	0.5
211.13467	0.4
212.48399	0.4
217.57764	0.3
227.12918	0.4
228.64694	0.4
306.52148	0.4
377.21786	0.6
410.25470	11.9
410.30746	0.6
411.25970	0.7
419.23050	1.0
549.12457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40428	0.2
59.01377	24.5
61.98829	100.0
62.19687	0.2
70.65861	0.3
70.66193	0.5
71.01382	1.5
73.02972	0.2
85.02956	0.3
85.45567	0.2
85.73747	0.2
87.04513	25.9
88.04830	0.2
101.02451	0.4
115.00377	0.4
119.54935	0.2
133.01437	0.5
133.02968	0.3
377.21924	1.5
410.25656	0.8
419.22784	1.1
442.39508	0.3
443.51926	0.2
505.05066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93542	4.3
59.01069	6.1
59.01372	99.7
61.98819	20.8
68.11957	4.4
70.76934	7.8
70.77257	9.5
71.01387	41.8
73.02963	6.5
73.99681	4.6
78.95875	5.0
79.95728	5.3
80.96506	5.4
85.02934	5.9
96.95974	24.1
101.02415	11.9
115.00352	17.0
120.20242	4.6
132.13159	4.8
133.01393	12.3
133.02940	22.4
134.03714	16.5
135.04495	43.2
137.02402	9.8
161.02431	77.6
174.03111	5.6
178.02644	15.0
179.03448	21.8
203.07175	8.2
209.11938	5.7
229.08598	8.9
247.09750	6.0
274.08112	7.1
287.22018	5.0
341.28854	5.1
345.16916	8.8
389.15729	6.6
399.14581	6.8
407.17105	10.1
431.24167	37.1
449.25552	8.9
523.29535	100.0
524.29266	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	523.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18572	0.6
59.01363	2.5
61.98820	0.6
71.01381	1.9
71.08497	1.2
78.95901	25.9
82.87298	0.6
86.86260	0.6
96.27837	0.7
96.96955	2.4
113.09727	1.7
115.00400	0.7
133.01427	0.9
135.04504	0.8
152.99579	35.3
171.00571	2.3
179.14438	1.5
181.12349	1.0
195.13896	20.7
196.14302	0.7
227.03166	3.1
245.04309	1.2
277.21680	19.4
278.22046	0.9
295.22763	70.7
296.23053	3.8
361.55078	0.7
431.21872	1.4
453.48334	0.6
471.18262	0.6
484.07617	0.8
523.26703	100.0
524.26947	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	525.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80807	0.2
51.95852	0.2
59.01367	0.5
68.42402	0.3
70.00649	0.4
70.01048	0.7
71.01377	1.9
89.84851	0.2
90.44509	0.2
99.00904	0.3
101.02427	0.4
102.94385	2.6
104.38289	0.2
108.90172	0.7
109.43702	0.2
115.00361	0.4
116.91956	0.3
125.21638	0.3
125.99590	0.4
133.01427	0.9
135.04539	0.4
138.98039	0.9
145.01364	0.5
146.93370	0.3
152.95990	0.5
154.97513	0.4
176.97121	0.2
179.03598	0.3
182.96994	100.0
183.97339	1.6
184.00073	0.6
191.05630	0.7
200.97084	1.4
216.98997	0.3
242.98187	3.8
254.98256	0.5
303.00528	0.4
317.22968	0.3
321.69055	0.3
332.99475	0.3
341.10715	0.6
428.66956	0.3
525.08429	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	523.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27719	0.9
55.02436	1.1
58.57299	1.0
59.01377	11.9
60.02246	1.2
60.69391	1.1
61.98820	1.3
69.26357	9.1
71.01371	22.9
72.99285	2.7
73.02929	3.0
75.00874	1.8
81.03439	1.3
83.01378	2.1
83.04984	3.5
85.02927	4.8
87.00861	3.7
88.98792	2.7
89.02426	5.8
93.03441	1.3
95.01393	1.2
95.04991	1.4
96.95996	7.4
97.06586	1.3
98.24366	1.5
99.00890	1.2
101.02426	7.8
109.02923	1.7
112.93732	3.1
113.02444	5.5
115.00369	13.3
119.03476	1.2
125.02334	1.2
133.00473	1.6
133.01418	19.6
133.02910	1.1
134.03731	2.1
135.04552	2.1
160.03995	2.0
160.05258	1.1
161.04523	1.6
161.05988	1.4
163.11278	3.6
164.58195	1.0
165.12834	1.4
167.30206	1.2
174.01399	1.1
174.03133	1.3
177.02010	1.1
191.05437	1.1
191.10719	1.9
197.04347	1.2
199.13361	5.0
201.09229	1.2
209.11812	100.0
210.12126	3.1
225.09157	1.5
227.12846	16.0
228.07845	1.6
229.08574	1.6
229.12303	1.4
235.08060	1.4
235.10526	1.1
241.08665	1.3
244.11229	1.6
253.09258	13.1
255.10104	1.8
255.13911	1.7
257.11710	2.7
272.10580	1.9
273.14951	2.9
282.14240	1.2
283.13394	4.3
291.86490	1.1
301.14398	12.4
311.12839	2.9
312.10104	1.8
325.07700	1.5
327.09137	1.8
327.12296	6.5
327.16031	9.8
329.13770	1.2
343.17422	1.3
345.17020	12.2
361.18704	15.3
363.18219	1.4
371.14951	1.8
389.16083	5.7
407.17368	7.0
407.22058	2.1
523.23901	43.7
524.24341	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	521.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01369	3.7
61.98799	0.3
66.88229	0.3
69.03448	3.0
71.01375	8.0
71.05006	0.3
71.68485	0.2
72.99283	0.3
76.51363	0.2
83.05005	0.2
87.00858	0.6
88.01244	0.2
98.00127	0.2
101.02418	0.3
109.06561	0.6
109.85384	0.2
109.89423	0.2
115.00365	6.4
121.70451	0.3
133.01402	0.9
181.18161	0.2
202.05931	0.3
215.06816	0.4
230.28444	0.4
253.17322	0.2
255.63478	0.2
257.79974	0.2
266.90640	0.2
269.19223	0.3
271.20609	0.9
273.22205	0.2
278.97000	0.2
287.20270	1.1
289.21704	7.9
290.21866	0.4
291.23276	0.4
307.20569	0.2
317.21246	0.2
325.25314	0.5
341.24792	0.7
343.26251	2.1
359.25879	1.0
361.27374	4.0
362.27542	0.3
371.14941	0.3
373.15372	0.3
379.28442	0.4
405.26385	100.0
406.26752	7.6
465.54974	0.2
503.26654	0.3
521.27484	7.1
522.27692	0.7
529.04126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57967	0.9
57.03435	4.4
59.01360	3.1
61.98833	6.4
69.67262	0.9
71.01361	1.8
71.51961	1.4
73.07996	0.9
78.95902	24.7
96.96992	2.7
109.31966	1.1
110.88618	1.0
113.09727	22.5
123.08167	1.1
139.11305	2.5
152.99582	41.8
153.00838	2.3
167.10721	3.8
171.00613	2.3
179.10747	2.1
195.13878	4.6
227.03256	2.9
245.04204	1.8
249.22137	3.6
293.21216	100.0
294.21588	6.5
472.71396	1.3
516.84229	1.1
521.25146	95.2
522.25610	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	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
61.98835	0.5
69.03453	3.5
71.01379	9.8
71.05035	0.2
72.99320	0.2
83.05021	0.3
85.02967	0.2
87.00871	0.6
96.96045	0.3
98.20743	0.5
109.06604	0.8
115.00372	6.3
115.53851	0.2
116.00668	0.2
126.81408	0.2
133.01424	1.7
133.02933	0.2
135.04575	0.2
215.06799	0.2
230.09674	0.2
261.18677	0.2
261.22083	0.2
269.19199	0.3
271.20673	0.8
279.48706	0.2
287.20102	0.9
289.21732	9.2
290.22040	0.7
291.23355	0.8
311.16125	0.2
320.51691	0.2
325.25162	0.6
341.24817	0.7
343.26370	2.6
359.25772	0.4
361.27451	4.2
362.27921	0.4
373.15469	0.4
379.28171	0.2
387.25168	0.2
405.26407	100.0
406.26767	8.1
521.27496	7.8
522.27673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.18511	1.9
61.98823	8.6
65.00057	2.0
71.01380	26.6
72.99292	2.5
73.02946	11.2
73.90742	2.1
78.95903	17.6
79.63395	2.0
83.01379	5.7
85.02940	7.2
89.02453	3.9
94.60820	2.1
95.01360	2.2
95.05021	6.8
96.95981	2.2
97.02961	2.7
101.02450	9.9
107.24583	1.8
113.02425	9.0
115.00357	3.4
124.01646	2.2
125.02445	2.8
133.02904	5.3
134.03700	2.5
140.99899	1.9
152.99596	18.8
161.02403	3.0
171.00761	2.1
177.01852	4.3
178.02623	6.8
195.13853	6.0
223.13300	2.9
227.03412	3.0
252.35294	2.4
273.18521	3.7
275.09174	6.3
275.20084	3.2
278.70667	2.2
293.21243	28.2
294.21671	2.8
295.22607	2.2
296.23047	4.0
334.26355	2.0
379.21136	5.9
421.22232	3.4
435.23679	5.2
521.24890	56.6
522.25702	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03445	1.6
59.01380	8.1
69.23074	0.3
70.01711	1.3
71.01378	15.1
72.99306	1.0
73.02961	2.0
83.01392	1.0
85.02949	2.9
87.00877	1.0
87.04509	2.1
89.02431	2.6
95.01407	0.5
96.96033	0.7
98.19950	0.4
99.00884	1.0
101.02430	3.8
108.02143	0.8
109.02949	1.7
111.04484	0.3
113.02447	2.8
115.00363	8.4
116.00808	0.3
119.03486	1.1
125.02449	0.6
133.01418	3.9
135.04512	1.3
137.02437	0.4
139.11279	0.9
145.01230	0.3
152.01158	0.9
153.01932	0.7
175.07539	0.3
179.03471	0.9
181.12349	0.5
187.07556	0.3
191.03456	0.3
193.92967	0.3
197.15450	1.0
212.91203	0.3
225.14969	4.7
230.05856	0.3
241.14336	0.5
243.15990	22.3
244.16328	0.6
281.06625	0.3
315.07047	0.3
325.14362	0.5
341.13821	0.4
343.15414	0.7
356.62561	0.3
361.16684	0.5
387.14859	0.6
387.19989	2.7
405.21243	100.0
406.21597	5.4
521.13007	1.9
521.22052	4.2
521.29980	1.0
522.14075	0.4
522.22211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01879	1.1
56.47757	0.5
57.03442	0.7
58.00591	3.1
59.01377	100.0
60.01719	1.1
69.86880	1.3
69.87272	0.8
71.01379	63.3
72.99306	4.7
73.02957	1.5
75.00861	0.6
75.77317	0.5
79.01368	0.5
79.95766	0.5
83.01390	2.7
85.02943	10.0
87.00877	4.2
88.64586	0.4
89.02441	85.7
89.91301	0.5
95.01389	4.8
96.96013	4.5
99.00846	0.6
101.02438	37.7
108.02155	2.2
109.02934	2.0
113.02448	25.8
114.02766	0.5
115.00361	2.3
119.03493	36.4
121.02931	1.9
122.03698	1.4
123.04498	1.6
125.02440	1.3
131.03517	4.3
133.01430	4.0
135.04510	1.6
143.02426	0.8
143.03490	8.3
146.03706	0.8
149.04538	3.8
158.03702	0.8
159.04506	2.7
160.05301	8.2
161.04507	7.8
161.05983	1.9
164.04712	0.5
171.04433	0.8
172.05266	4.0
173.06073	3.6
175.03899	0.6
175.07544	2.2
179.05602	21.6
187.07545	1.5
189.05563	8.4
189.09129	0.7
190.06337	7.8
205.08662	6.0
230.84604	0.5
269.82834	0.5
281.08179	2.9
295.09613	1.1
296.10529	4.4
311.09488	0.7
311.12820	4.9
325.14288	1.1
326.11493	0.8
329.13928	2.4
341.13885	29.3
342.14502	2.5
343.15381	0.8
361.16162	0.8
387.14172	1.4
405.21072	2.9
409.68802	0.5
521.20233	10.4
522.19843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.7
61.98826	100.0
71.01382	8.5
71.52103	0.6
73.02942	9.3
83.01376	3.2
85.02928	0.8
87.00871	0.7
89.02451	2.0
95.01366	0.6
101.02434	8.9
108.04562	0.6
113.02451	3.7
115.00365	3.5
119.03484	1.5
125.02445	0.5
131.03503	1.1
133.01445	3.9
135.04536	1.1
143.03510	1.5
149.04594	1.7
160.64957	0.5
161.04500	2.8
179.03499	1.1
220.41614	0.5
221.06569	0.9
329.44882	0.6
361.16525	1.0
362.19211	0.7
372.15369	0.7
387.14560	1.1
404.20471	0.7
405.21793	0.6
416.23911	1.0
465.75873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.5
70.63722	0.2
78.95899	43.1
96.96960	5.6
103.62421	0.2
147.67107	0.3
150.97998	1.7
152.99576	100.0
153.99910	0.9
156.94699	0.2
171.00635	4.5
208.08455	0.2
279.23309	1.2
349.25751	0.2
433.23566	30.1
434.23947	1.8
519.56177	0.2
520.26697	7.2
521.26984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76478	0.7
59.01377	100.0
60.01723	0.8
61.98832	1.2
62.42123	0.7
63.75301	0.7
69.03462	1.3
69.61848	4.6
71.01380	36.8
72.99303	2.3
73.02943	50.4
74.03294	0.7
75.00867	1.8
75.27720	0.7
83.01381	11.5
85.02943	5.9
87.00891	1.5
89.02443	8.8
95.01385	1.8
99.00884	1.0
101.02441	41.1
113.02445	17.5
115.00368	7.0
119.03500	5.0
125.02464	3.1
131.03534	4.4
133.01436	10.4
133.02953	3.1
135.04523	8.4
143.03529	3.8
144.60204	0.8
149.04539	6.4
155.03491	1.2
161.02446	0.9
161.04544	13.6
177.01933	15.6
178.02211	1.0
179.03499	11.1
179.05110	1.3
179.05424	1.0
187.02571	1.2
191.05539	1.3
203.05545	1.7
221.06572	2.6
285.13394	2.5
308.52206	1.0
341.09174	0.9
403.10388	2.1
403.19495	5.3
474.94073	0.9
519.11536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64862	0.4
59.01374	100.0
60.01701	0.9
61.98827	3.6
64.26530	0.4
71.01375	15.3
71.51456	0.7
72.99307	1.1
73.02950	3.6
75.00880	0.4
75.30112	0.5
83.01392	1.8
85.02935	2.3
87.00861	7.8
89.02439	4.5
95.01391	0.8
96.96001	2.0
97.02981	0.7
97.06570	0.5
99.00871	0.9
101.02436	6.7
109.02936	0.8
111.00939	1.1
112.98540	0.8
113.02435	4.5
115.00367	6.6
119.03493	1.5
121.02940	0.8
125.02440	0.7
133.01421	7.5
133.02888	0.7
134.03685	0.6
135.04524	1.6
143.03513	1.3
151.00351	0.7
161.04567	2.1
165.01918	3.1
175.02576	0.6
177.01926	1.6
179.03433	1.4
179.05609	1.2
186.06888	0.6
187.03932	0.6
187.07625	0.9
189.95279	0.4
191.05557	0.8
193.01401	0.5
199.03949	1.4
199.07657	1.0
215.07050	0.6
225.05557	0.8
225.09174	0.8
227.03467	1.6
227.10774	0.9
229.08771	0.6
230.09380	0.7
235.08388	0.5
239.07246	0.7
241.08704	0.7
243.02939	1.6
251.10776	0.6
253.08696	0.7
254.09354	1.0
255.02904	0.7
255.10196	0.9
255.13911	0.9
265.12198	0.5
269.04523	0.8
269.11667	0.7
271.02429	21.7
272.02875	1.3
280.10977	1.7
283.05023	0.6
283.13339	3.7
285.04022	0.7
298.11859	0.7
298.99249	0.5
299.01920	30.9
300.02420	3.4
309.14835	2.6
311.12955	4.7
314.04282	32.3
315.05011	12.9
315.15997	0.5
316.05209	0.5
323.12866	0.7
327.15930	3.9
341.13855	1.0
341.17624	1.1
353.13931	1.1
357.26544	0.9
359.14786	0.5
359.18640	2.0
371.14893	8.6
385.12543	0.8
399.23904	7.5
403.18082	2.2
403.22635	0.8
416.66287	0.5
417.24863	3.8
439.23502	0.7
459.25586	3.7
477.10117	2.1
478.10315	0.5
511.12070	0.5
519.11359	27.3
519.32867	10.9
519.61804	0.5
520.11511	3.6
520.32684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62759	1.3
57.68232	1.4
58.78004	1.3
59.01376	100.0
61.98824	2.8
64.15797	1.2
68.88559	1.3
69.03458	1.4
69.36802	10.9
71.01373	39.4
72.31864	1.3
73.02940	39.6
76.04086	1.2
81.03466	1.7
83.01382	11.2
85.02927	5.8
87.00872	2.3
89.02437	12.2
95.01352	2.8
96.95998	9.7
98.20615	2.2
99.00877	4.0
99.04546	1.4
101.02435	44.5
101.46535	1.5
113.02440	22.6
115.00362	9.2
119.03487	6.2
125.02451	8.5
131.03481	4.8
133.01419	8.0
134.03734	1.6
135.04497	6.8
136.01665	13.9
143.03485	4.9
149.04515	5.8
151.03993	18.7
155.03487	1.5
156.75902	1.3
161.04536	14.9
175.02422	3.0
179.03474	6.4
179.05644	2.1
187.02481	4.5
203.05513	1.9
204.95274	1.4
221.06538	2.8
221.44902	1.3
223.13472	2.5
227.48987	1.4
315.99237	1.6
357.13409	16.2
358.13422	1.9
415.23148	3.3
416.60822	1.4
519.19348	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46832	1.3
57.03428	1.4
58.00587	1.5
59.01376	100.0
61.98824	19.2
69.03442	1.7
69.69895	7.3
69.70201	1.8
71.01378	36.2
72.99286	2.2
73.02940	30.9
75.15959	1.2
83.01380	12.4
83.94106	1.4
85.02961	7.8
87.00871	6.5
87.04520	1.6
89.02441	17.3
95.01386	2.0
96.96027	3.0
97.02959	1.5
98.95588	2.3
99.00858	1.9
99.04501	1.5
101.02435	34.3
108.93592	1.2
113.02439	18.8
115.00349	8.9
116.92797	2.1
119.03500	6.6
125.02420	3.9
127.59126	1.4
131.03477	3.5
133.01419	6.1
135.04482	3.4
136.22057	1.4
143.03500	5.1
149.04517	3.0
161.04568	9.5
176.50134	1.1
179.05629	8.6
199.13385	2.3
250.20927	1.6
296.49127	1.2
303.48291	1.3
311.12817	2.8
327.18384	2.4
343.17651	2.7
359.14865	1.2
361.18597	8.4
371.14996	3.0
403.19699	23.5
415.23303	15.6
433.24261	5.7
475.25391	2.8
519.18018	2.7
519.32031	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	518.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50143	0.4
61.98826	100.0
69.36872	3.1
78.95902	2.3
89.57361	0.4
93.07375	0.4
104.47166	0.5
152.99577	4.9
170.69933	0.4
303.92899	0.4
356.97672	0.4
388.27319	0.5
401.30106	0.5
431.22034	1.1
520.26819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1136
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.15643	0.2
59.01373	2.9
59.13503	0.2
61.98832	0.6
63.02398	0.3
65.00317	1.2
69.67261	1.6
71.01369	2.3
73.02940	0.4
83.01385	0.5
87.00866	1.0
93.03444	0.4
97.02943	0.9
101.02426	0.4
107.01379	0.4
109.02940	2.5
115.00357	2.4
120.06563	0.3
121.02955	3.7
121.06689	0.3
132.97232	0.2
133.01384	1.0
133.02934	0.4
135.00873	0.4
140.49507	0.2
147.00923	0.4
147.41649	0.2
148.01724	0.3
149.02400	0.6
149.99576	0.3
151.00327	1.1
152.10617	0.3
159.04466	0.4
161.02515	0.4
163.00410	0.6
165.01915	11.1
166.02208	0.4
171.04501	0.7
175.03964	0.6
177.01860	0.7
183.04506	0.4
187.03870	0.5
187.07558	0.3
191.03444	0.3
193.01413	2.1
199.03975	2.5
200.04657	0.3
201.01906	0.9
201.05562	0.3
203.03423	0.3
213.09206	0.3
215.03482	1.8
215.07126	0.5
225.05438	0.4
225.09161	0.8
226.02650	1.6
226.06329	0.4
227.03470	3.5
228.04089	0.5
229.01315	0.4
229.08617	0.5
242.02142	0.6
243.02948	5.9
243.05519	0.3
243.06621	0.4
244.03345	0.3
251.10712	0.3
253.08754	0.5
254.02208	1.7
254.09494	1.0
255.02963	2.2
255.10269	0.4
256.03638	0.6
257.04700	0.3
259.06000	0.3
269.04529	2.6
270.01648	0.9
271.02448	68.2
272.02823	3.6
282.01526	0.4
283.13263	2.5
285.03946	2.3
286.04660	0.4
287.05603	1.1
297.04074	0.9
298.12128	0.5
299.01929	100.0
300.02536	11.6
301.03134	0.4
309.15128	0.5
311.12839	1.2
314.04279	89.7
315.05026	48.8
316.05405	2.4
327.15939	5.7
357.06216	0.5
371.14899	2.2
381.97134	0.3
403.17432	0.3
477.10297	4.5
478.10947	0.3
519.11383	85.9
520.11676	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65109	0.5
54.18642	0.5
55.01873	0.7
57.03442	1.0
59.01376	19.4
61.98821	2.5
65.45561	0.7
69.03471	0.7
69.89786	2.2
71.01379	19.2
72.99310	1.4
73.02949	2.6
74.02486	0.6
79.02447	0.7
83.01389	2.0
85.02948	4.6
87.00883	1.8
87.04508	4.4
88.98759	0.7
89.02445	5.4
95.01352	0.6
95.23151	0.6
96.96032	1.5
99.00902	1.7
101.02445	7.1
101.06088	1.0
113.02447	4.4
115.00381	12.6
119.03484	2.4
121.10255	0.9
125.02457	4.4
133.01443	9.4
133.02954	1.1
135.02988	0.6
135.04529	3.6
141.06749	0.8
143.03407	0.8
147.04649	0.6
153.01978	0.7
153.09225	4.6
155.10764	1.9
161.04558	0.7
161.13344	1.4
177.01912	1.2
179.03499	2.8
187.02449	2.0
191.05626	1.5
199.09703	1.4
205.09883	1.4
209.11906	0.6
215.08514	0.7
223.13423	2.4
227.12877	0.8
241.14427	7.6
242.14767	0.6
245.60495	0.6
267.09900	2.6
287.15045	2.7
311.12439	1.5
385.18732	1.4
399.23807	0.8
403.19702	100.0
404.20020	6.4
459.26270	0.8
501.20419	2.6
519.20734	2.5
519.33435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06633	1.2
50.48200	1.0
59.01374	1.8
61.98817	4.1
71.01383	1.7
71.50546	1.9
72.99312	7.7
81.07072	1.5
96.96005	5.2
97.12498	1.0
99.08144	2.8
113.06036	1.4
115.07644	56.6
116.08043	1.5
124.21583	1.1
129.05582	19.1
133.01402	1.9
133.11377	1.1
137.27686	1.1
143.07123	16.9
159.06598	1.7
175.06052	2.1
205.07153	100.0
206.07457	2.5
215.52527	1.1
271.09506	1.7
307.50833	1.2
319.11923	1.5
396.53592	1.2
424.06723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01375	8.0
61.98819	2.0
68.69616	0.3
71.01379	11.3
71.52191	0.4
71.52576	0.3
72.99300	0.3
73.02920	0.9
75.58976	0.3
80.96521	0.3
85.02922	0.4
89.02438	0.8
96.95992	1.0
101.02431	1.4
109.49575	0.3
113.02476	0.6
114.99569	0.6
115.00366	8.6
119.05034	0.5
121.02989	0.5
121.06586	24.8
122.06895	0.4
123.08118	0.4
125.02443	0.4
133.01443	3.2
134.03752	0.6
135.04514	0.7
140.40233	0.3
147.08124	1.0
149.06053	1.3
155.96198	0.3
161.04620	0.3
169.08685	1.1
178.02577	0.5
179.03366	0.7
189.12888	0.3
217.16174	0.4
223.13397	0.7
226.03810	0.4
233.15480	0.8
235.17076	0.5
251.16505	7.4
252.16835	0.4
253.09218	0.9
261.14865	1.4
263.16385	0.5
277.14621	0.3
279.15955	0.8
281.17487	1.1
312.83560	0.4
339.23154	0.5
397.22430	0.3
401.23267	100.0
402.23618	7.8
425.82196	0.4
457.24701	0.4
516.53772	0.4
517.23590	3.1
517.31122	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	518.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00328	0.3
56.79252	0.3
59.01365	0.4
59.22265	0.3
60.07796	0.3
61.98830	7.8
62.02683	0.4
69.71442	0.8
69.71859	1.2
70.91876	0.3
77.25106	0.3
78.95898	42.1
96.96959	4.7
98.20616	0.7
150.98004	1.5
152.99573	100.0
153.99925	1.3
155.60732	0.3
171.00639	4.3
179.62408	0.3
200.38843	0.3
221.61229	0.4
269.48459	0.3
277.21619	0.9
431.21988	25.0
432.22342	1.5
518.25208	6.2
519.26587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55026	0.3
54.84051	0.3
56.71620	0.3
59.01375	62.8
60.01716	0.4
61.98820	0.6
70.34615	1.1
72.15300	0.3
90.97143	1.3
91.82523	0.3
96.56274	0.3
102.65691	0.3
113.15620	0.3
118.96609	0.7
132.79898	0.4
132.98166	1.9
141.98180	0.4
147.13008	0.4
156.99911	0.9
157.03506	0.8
161.25302	0.3
174.99231	26.6
175.99532	0.5
201.02544	9.4
202.02524	0.4
217.00272	100.0
218.00606	2.4
314.98557	0.4
359.01425	13.9
360.01608	1.1
374.99173	58.8
375.99527	2.0
408.41034	0.4
456.99872	0.4
521.81696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.4
61.98817	3.8
62.85251	1.1
71.01379	19.5
78.72165	1.1
88.04037	25.2
96.96021	1.3
105.05876	1.1
113.02412	1.4
114.01971	13.4
115.00368	31.8
118.55470	1.1
123.30829	0.9
132.03023	100.0
133.01410	3.2
135.04510	2.5
138.03250	1.3
139.16380	1.0
147.04507	10.2
148.05327	6.9
154.45859	1.0
158.00941	4.8
160.01634	1.2
161.02405	1.5
162.03258	2.2
162.85013	0.9
166.24669	1.0
174.03224	2.4
176.04816	5.0
180.04169	1.4
191.05614	1.8
191.07132	9.2
194.05814	2.8
202.02646	1.0
213.05659	1.0
229.05112	1.3
238.06320	2.7
247.39560	1.0
249.05457	1.7
253.08600	1.8
265.05188	1.3
266.05759	2.3
267.03040	1.7
267.06769	1.2
268.13446	1.2
279.06418	2.0
281.07013	1.4
282.05249	12.8
283.05884	1.5
283.96106	1.2
292.07440	1.2
293.07993	2.3
294.05240	1.8
295.06256	1.3
297.07675	19.5
298.08270	2.2
309.07678	9.0
310.08255	1.8
312.09906	15.0
312.12939	1.2
313.10571	3.7
323.05594	1.5
324.09888	3.7
325.05890	3.7
325.09830	1.2
327.12323	16.4
328.12695	1.0
336.08765	1.8
338.07947	1.8
339.08469	1.3
339.12219	1.4
340.08246	4.9
352.08365	3.4
353.10306	5.6
354.09491	1.4
355.10635	2.4
356.11655	5.9
357.13303	4.4
367.10297	1.3
368.11258	3.7
370.12772	2.9
371.11359	10.6
382.12851	4.7
382.17096	1.0
383.06842	1.8
383.11322	18.7
384.11618	1.8
401.12515	8.3
422.12112	2.3
436.13913	1.8
439.12686	2.8
442.14957	3.7
454.15244	7.7
486.14041	30.0
487.14200	2.8
498.13959	5.6
516.15045	82.9
517.15613	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	516.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05521	0.8
59.01371	20.4
61.98831	4.6
71.01379	25.6
71.52018	1.3
73.02937	1.5
85.02944	2.4
87.26781	0.9
88.04042	4.4
93.03462	1.8
96.95993	1.6
101.02440	2.4
104.37070	0.9
110.02511	1.1
112.98560	1.9
113.02466	2.1
114.01970	11.0
115.00368	30.9
120.01234	2.7
121.02898	1.1
132.02254	1.2
132.03020	28.1
133.01422	5.8
133.03009	1.6
134.03738	1.2
135.04482	6.8
136.04871	1.5
147.04495	2.4
148.05309	9.3
149.05984	1.0
158.00917	3.5
160.01628	2.8
161.02400	2.7
162.03206	1.7
163.07643	1.3
173.04477	2.0
175.04002	1.2
176.04732	2.4
178.05124	5.7
179.03477	4.4
180.03975	2.6
190.04997	1.5
191.05626	3.2
191.07146	8.4
221.06073	1.3
226.06210	1.1
238.06268	3.7
239.06975	1.4
249.05630	1.6
250.06294	2.6
253.08539	3.0
264.04361	1.0
264.08563	1.8
265.05026	1.8
266.05832	2.2
267.06741	1.1
268.13257	1.9
278.05759	1.6
279.06467	2.2
281.07123	2.1
282.05280	11.9
283.05887	1.5
291.06567	1.1
292.07446	3.8
293.07990	4.9
294.05328	3.8
294.08582	2.3
297.07611	22.0
297.10599	1.7
298.08252	2.6
306.07690	1.5
307.09317	1.4
309.04337	1.4
309.07709	17.6
310.07889	2.2
312.09573	17.8
312.12585	6.7
313.10580	3.4
321.06418	2.9
322.07443	1.6
323.05594	1.2
323.09116	1.1
324.06403	1.4
324.09808	6.8
325.05997	4.3
327.12357	22.3
328.12650	1.8
335.07996	1.7
336.08774	3.9
337.06772	3.2
338.07455	1.3
339.08594	1.0
339.12302	3.6
340.08249	8.4
340.11932	2.1
350.10406	1.7
352.08145	6.9
353.09390	3.9
354.09332	2.2
355.10541	6.4
356.11215	4.0
357.13571	5.3
364.11890	1.3
367.10693	1.7
368.11694	4.7
370.12891	2.8
371.11380	9.8
380.14868	1.5
382.13028	5.8
383.11288	29.5
400.14014	1.9
401.12277	5.5
422.12360	2.1
424.09531	4.7
436.14017	4.1
439.12875	5.1
442.14896	6.8
454.15085	22.5
455.15494	1.5
486.14099	8.9
498.14267	4.8
516.15039	100.0
517.15234	9.0
517.22070	1.3
528.44238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45934	0.4
51.91423	0.4
57.03446	2.1
58.00574	1.2
59.01376	46.8
61.98831	2.8
67.05209	0.4
70.71864	0.9
71.01378	29.6
72.99297	1.3
73.02944	4.1
83.01378	1.8
85.02958	3.8
89.02436	14.8
93.85691	0.4
95.01376	1.4
96.96008	0.6
101.02434	14.8
109.06563	0.8
111.04522	0.6
113.02440	8.2
115.00358	11.3
119.03490	5.0
121.10252	2.0
125.09724	2.2
127.07635	0.6
127.09924	0.5
131.03490	0.9
133.01422	2.7
135.04518	1.0
143.03476	1.0
149.04575	0.7
161.04517	1.9
172.14229	0.5
175.14917	3.0
179.05582	1.0
193.15970	1.3
219.13893	5.4
233.15405	0.8
234.72552	0.4
237.14949	9.4
276.79434	0.4
392.08194	0.4
399.20175	100.0
400.20517	7.8
515.21375	1.0
515.28589	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	515.2854
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.93888	0.3
55.01874	0.6
57.03449	1.1
58.00589	1.7
59.01376	42.3
59.47974	0.3
60.01706	0.4
60.63657	0.3
61.98832	3.1
69.03448	0.3
71.01378	24.6
72.99297	2.3
73.02946	2.3
75.00870	0.4
80.96535	0.4
83.01391	1.8
85.02937	5.8
87.00896	1.1
87.04515	0.9
89.02438	17.7
95.01391	2.1
95.33617	0.3
96.96030	1.1
97.02974	0.3
97.06622	0.4
99.00872	0.7
99.04562	0.5
101.02439	13.7
113.02438	8.0
114.02779	0.3
115.00394	1.3
119.03487	5.8
120.01241	0.3
125.02473	0.5
133.01434	1.3
134.03757	0.7
135.04559	0.6
139.11301	0.8
143.03502	0.6
149.04642	0.3
153.12910	0.3
159.63908	0.3
161.04514	1.0
161.05757	0.3
163.11403	0.3
169.12314	0.7
177.01968	0.3
178.02695	0.5
179.03452	0.4
179.05646	0.7
181.08757	0.6
195.76314	0.3
197.11832	1.1
201.11243	0.4
204.36835	0.3
209.11815	0.6
261.14877	0.7
291.23386	0.6
293.24777	1.5
311.22153	0.4
320.72882	0.3
335.22205	0.7
337.23831	1.4
339.22150	0.3
399.23944	1.5
455.26749	0.4
497.23901	1.5
515.28595	100.0
516.28900	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	515.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03429	2.1
58.00587	0.9
59.01378	43.5
61.98815	1.8
69.55715	3.1
71.01378	25.5
71.01698	0.5
71.01778	1.0
72.99297	1.3
73.02946	4.7
73.83646	0.5
77.55338	0.5
83.01377	1.5
85.02950	3.4
87.00874	0.8
89.02442	13.1
95.01380	1.4
96.95990	0.8
98.20621	1.0
101.01801	0.9
101.02437	12.2
109.06548	1.1
111.04483	0.4
113.02432	6.7
115.00359	10.0
119.03501	5.5
121.10266	2.2
125.09707	1.8
131.03481	1.1
133.01393	2.2
135.04469	0.9
143.03427	0.7
149.04532	1.1
149.44673	0.5
161.04549	1.5
175.14896	2.5
179.03467	0.6
179.05507	0.5
191.05591	0.7
193.15919	1.4
219.13847	5.1
233.15393	0.6
237.14954	8.7
238.15125	0.7
249.61652	0.4
399.20197	100.0
400.20450	7.1
492.24008	0.5
498.78394	0.5
515.21289	0.9
515.28510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.3
63.95671	1.2
70.13560	2.2
70.13929	3.8
71.01383	4.5
71.05014	1.9
74.02502	1.2
85.02963	2.0
93.03426	1.2
96.96008	3.7
99.08146	12.5
101.82256	1.2
114.05615	1.7
115.00333	3.0
119.04996	2.6
127.07637	16.9
127.18810	1.2
128.03543	1.9
129.05576	42.8
133.01407	4.5
135.04501	3.2
145.08672	3.1
171.06607	2.6
179.03462	3.7
189.07658	100.0
190.08066	1.9
191.05559	5.3
243.03282	1.1
358.43112	1.2
406.40323	1.1
483.54202	1.2
516.26544	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.05907	0.1
62.98537	0.1
69.97578	0.2
79.52531	0.1
98.20767	0.1
169.52211	0.1
169.54448	0.1
191.05682	0.1
470.03329	0.1
514.32239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59658	1.4
57.03415	1.9
59.01376	43.2
69.72099	6.5
71.01014	2.7
71.01375	37.5
72.99306	3.6
73.02917	1.9
75.00854	4.0
83.01382	1.9
85.02924	4.7
87.00867	3.9
88.44449	1.5
89.01884	1.9
89.02436	38.7
93.03418	2.7
95.01409	2.0
98.19999	2.9
99.00858	3.6
99.14436	1.5
101.02438	14.1
112.98797	6.5
113.02449	12.0
115.00347	4.4
119.03477	13.5
129.01930	2.9
131.03487	2.3
133.01425	3.2
136.66801	1.5
139.67250	1.6
142.99840	14.1
143.03516	4.4
145.01413	1.7
149.04570	2.3
161.04518	5.1
172.96756	1.7
173.00899	8.8
173.04485	6.9
179.05609	20.6
188.33308	1.7
341.10870	100.0
342.11075	4.2
386.06412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00598	1.1
59.01376	43.3
65.59250	0.9
67.66402	1.1
71.01378	39.4
71.50370	1.4
71.50741	1.4
72.99310	4.6
73.02937	2.9
75.00858	2.8
83.01381	2.6
85.02940	7.1
87.00879	3.0
89.02438	43.6
93.03452	2.9
95.01399	1.8
99.00868	6.7
101.02431	20.4
111.00878	2.6
111.04469	2.0
112.98806	11.7
113.02452	13.7
115.00385	2.8
119.03499	12.3
124.98769	1.2
129.01930	3.5
131.03569	1.6
133.01430	4.1
133.52380	0.9
134.01753	1.2
137.02380	1.1
142.99846	12.8
143.03513	3.0
145.01466	2.1
149.04536	1.2
152.95912	1.1
155.03453	1.1
161.04549	5.2
170.97031	1.2
172.96785	1.6
173.00909	13.4
173.04521	5.3
175.02364	1.5
179.05585	20.8
191.02066	1.3
191.05597	1.3
247.78851	1.2
263.66473	1.0
341.10849	100.0
342.11258	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03432	0.1
58.00585	0.2
59.01376	5.6
61.98812	0.1
66.30487	0.1
68.99828	0.1
69.03433	0.1
71.01376	4.5
72.99305	0.3
73.02943	0.9
75.00809	0.1
76.33340	0.1
81.03399	0.1
83.01387	0.5
83.05011	0.2
85.02943	1.1
85.58762	0.1
87.00868	0.6
89.02438	3.5
91.04006	0.2
95.01385	0.3
97.02937	0.2
97.06551	0.1
99.00882	0.3
99.04488	0.1
101.02437	4.5
102.02748	0.1
103.03989	0.1
111.89405	0.1
113.02444	2.1
113.06114	0.1
115.03980	0.1
115.84795	0.1
119.03496	0.9
119.10145	0.1
125.02417	0.2
127.07616	0.2
131.03481	0.2
133.05072	0.3
141.09254	0.1
143.03499	0.4
145.04999	0.1
149.04532	0.1
157.05141	0.1
161.04541	1.6
179.05585	0.4
179.95689	0.1
205.19615	0.1
217.07079	0.1
233.22755	0.3
235.08205	1.2
253.09256	16.5
254.09674	0.4
259.20740	0.3
275.20056	0.3
277.21686	100.0
278.22028	6.2
343.49237	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03450	0.1
58.00593	0.2
59.01376	5.3
60.01725	0.1
61.98839	0.1
69.03445	0.1
70.17308	0.2
71.01379	4.1
72.99316	0.2
73.02944	0.8
74.47028	0.1
75.00886	0.1
83.01382	0.6
83.05030	0.2
85.02943	1.1
87.00871	0.5
89.02441	3.0
91.04032	0.2
95.01388	0.3
97.02975	0.1
97.06539	0.1
99.00885	0.2
101.02441	3.9
102.02793	0.1
103.04018	0.2
113.02446	1.8
115.03999	0.1
119.03500	1.0
125.02452	0.2
127.07667	0.3
129.01942	0.1
131.03548	0.1
133.05055	0.4
143.03488	0.5
149.04558	0.1
157.05048	0.2
161.04556	1.4
166.87590	0.1
179.05609	0.4
197.11885	0.1
214.12285	0.1
218.63461	0.1
233.22719	0.3
235.08203	1.2
253.09267	15.5
254.09653	0.5
259.20511	0.3
275.20074	0.4
277.21692	100.0
278.22037	5.9
327.97513	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78101	2.2
59.01376	100.0
61.98829	14.2
69.03452	3.9
69.37869	14.1
71.01378	61.3
72.99298	4.2
73.02941	58.5
82.38100	2.5
83.01382	20.0
85.02937	9.2
86.00105	4.6
87.00868	4.9
89.02441	11.2
96.96037	4.2
99.00880	2.9
101.02438	55.3
103.34246	3.0
107.34623	2.4
113.02447	12.5
115.00372	7.0
119.03465	3.8
122.72591	2.3
125.02442	3.9
125.31754	2.7
131.03490	8.5
133.01413	7.7
135.04463	4.2
143.03473	4.0
149.04575	4.1
161.04544	8.8
178.02647	3.7
189.60385	2.5
203.18085	4.1
209.11635	3.1
247.17018	37.8
265.18094	15.2
383.19016	5.0
398.35312	2.8
409.22211	2.9
427.23355	10.4
469.24387	92.3
470.24951	5.6
471.20615	5.0
513.27240	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	513.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.5
59.01376	73.8
61.98825	5.3
71.01382	44.3
71.51750	1.5
72.99296	2.3
73.02941	44.6
77.53719	1.6
78.02238	1.2
83.01379	15.6
85.02956	3.7
87.00887	3.3
89.02439	8.8
93.39816	1.4
95.01369	1.5
96.96024	1.4
101.02441	41.1
113.02448	10.0
115.00347	2.3
119.03468	1.9
128.44981	1.3
131.03448	2.1
133.01392	2.1
135.04533	1.5
139.63374	1.2
143.03500	2.8
149.04596	2.2
149.13319	2.1
157.97626	1.4
161.04532	4.9
177.01910	2.4
178.02751	2.7
191.05534	1.5
194.64413	1.4
203.18033	5.5
209.11766	2.5
218.74324	1.6
229.15848	1.6
247.16998	32.0
249.18517	3.8
256.76465	1.6
409.22186	3.6
427.23300	9.1
469.24377	100.0
470.24670	6.7
513.27460	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	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78101	2.2
59.01376	100.0
61.98829	14.2
69.03452	3.9
69.37869	14.1
71.01378	61.3
72.99298	4.2
73.02941	58.5
82.38100	2.5
83.01382	20.0
85.02937	9.2
86.00105	4.6
87.00868	4.9
89.02441	11.2
96.96037	4.2
99.00880	2.9
101.02438	55.3
103.34246	3.0
107.34623	2.4
113.02447	12.5
115.00372	7.0
119.03465	3.8
122.72591	2.3
125.02442	3.9
125.31754	2.7
131.03490	8.5
133.01413	7.7
135.04463	4.2
143.03473	4.0
149.04575	4.1
161.04544	8.8
178.02647	3.7
189.60385	2.5
203.18085	4.1
209.11635	3.1
247.17018	37.8
265.18094	15.2
383.19016	5.0
398.35312	2.8
409.22211	2.9
427.23355	10.4
469.24387	92.3
470.24951	5.6
471.20615	5.0
513.27240	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2546
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01871	3.1
57.03433	1.7
58.00575	0.7
59.01376	51.1
60.61573	0.5
61.98816	1.9
69.03450	0.7
69.31059	1.3
69.31479	2.6
71.01378	27.2
72.99301	1.2
73.02940	21.7
73.25985	0.5
75.00880	0.9
83.01383	9.7
85.02460	0.9
85.02943	12.6
86.00095	2.7
87.00849	1.3
87.04510	4.0
89.02431	6.7
95.01389	2.3
96.96004	0.8
97.02917	0.6
99.00862	2.6
101.02437	28.2
106.98285	0.5
112.01672	0.5
112.76297	0.5
113.02439	11.0
115.00360	1.2
119.03467	2.7
125.02427	1.3
127.04035	0.8
131.03484	1.3
133.01402	1.4
133.02940	0.6
135.04552	0.8
143.03502	1.4
149.04515	1.1
155.03511	0.7
159.02985	0.7
161.04602	4.3
161.05899	0.9
167.07130	1.4
168.07901	6.6
178.02678	0.5
179.03564	1.1
179.05576	0.8
187.07524	0.8
201.09172	2.8
229.15945	0.6
234.66809	0.5
271.17041	3.1
275.09271	0.9
289.17896	1.3
305.05267	0.5
305.21198	36.7
306.21567	2.1
433.22137	7.1
434.22888	0.6
451.23401	3.6
452.23779	0.6
467.26413	24.1
468.26837	1.7
469.24954	0.6
493.24432	12.2
494.24579	0.8
511.25415	100.0
512.25922	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	512.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49379	0.4
55.89868	0.5
57.03440	3.2
57.07072	0.5
59.01366	2.1
61.98824	5.1
69.55792	2.7
71.01375	19.5
71.05015	4.5
93.16589	0.5
96.96025	1.0
97.06551	2.2
111.08109	2.3
113.02534	0.6
114.09236	0.5
115.00362	13.9
115.07641	5.1
127.11281	10.3
133.01378	1.5
137.09676	1.0
139.11278	47.8
140.11571	1.1
151.11223	0.7
153.12885	1.6
156.10303	1.2
156.66173	0.5
158.11830	2.0
164.14330	0.9
169.12314	23.4
177.99371	0.5
182.15466	2.4
183.10245	24.1
184.10588	1.3
198.14931	1.2
201.11311	26.2
202.11697	0.6
212.16531	1.6
213.14920	2.3
224.12859	0.5
224.57988	0.4
226.14410	2.9
237.14909	1.1
237.18549	8.3
244.15506	29.3
255.16023	1.4
255.19601	1.0
272.13821	0.5
281.17487	3.9
298.20178	7.9
306.59067	0.5
309.24667	0.6
321.79541	0.5
348.25397	1.1
378.26434	2.6
396.27496	100.0
397.27884	6.8
452.33414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2543
Annotation	Andrographiside
Peak:m/z	Relative Intensity
50.33664	0.5
52.08979	0.4
55.01871	1.4
56.38322	0.5
57.03436	1.4
58.00592	1.4
59.01376	100.0
61.98827	2.1
69.03474	0.8
69.22908	4.5
71.01376	38.4
71.05023	1.8
72.99302	2.9
73.02943	39.2
74.03277	0.5
75.00878	0.9
79.95747	0.8
80.96510	4.2
81.03461	1.0
82.87748	0.6
83.01379	13.8
85.02941	6.9
85.06551	0.9
87.00887	2.3
87.04505	14.8
89.02443	13.8
94.98092	1.3
95.01414	1.9
95.05044	0.6
96.96019	2.0
99.00899	1.7
99.04509	2.6
101.02435	45.0
102.02814	0.6
108.02143	0.6
113.02446	14.3
113.06155	0.9
113.68780	0.5
115.00388	1.9
116.92881	2.3
119.03518	5.9
119.05013	13.2
119.05818	0.9
123.08173	0.6
124.01666	2.2
125.02446	2.3
127.04018	4.4
131.03520	3.2
133.01437	1.6
134.40152	0.5
135.04527	1.2
139.07658	0.7
141.09224	0.8
143.03435	3.9
145.02925	1.3
149.04541	3.4
151.04034	0.8
151.07625	0.5
152.04829	1.2
152.98651	0.9
155.03537	1.5
161.04568	8.5
161.05945	0.8
163.03999	14.8
163.07745	0.8
165.05550	0.6
166.06306	0.7
167.07138	2.3
168.07889	6.5
168.09062	0.7
175.07628	0.9
179.03490	0.9
179.05585	0.9
186.06841	0.7
187.07718	1.0
201.09196	4.5
203.05664	1.3
219.10349	0.5
221.06691	1.6
225.00800	1.3
229.12360	0.6
229.16011	0.9
236.15501	0.5
245.19003	1.0
256.14697	1.8
271.17026	7.9
275.16516	0.7
289.18109	3.0
291.19403	0.8
305.21207	3.8
307.19089	0.7
325.09421	1.1
331.19269	2.1
349.20114	3.1
372.72070	0.5
391.21570	1.2
407.24887	0.8
418.19907	0.7
421.22501	0.9
425.25629	1.6
433.22263	10.0
434.22678	0.8
436.18799	0.7
448.22958	0.6
451.23401	8.0
452.23654	1.1
467.26321	1.2
469.24530	2.2
493.24368	30.3
494.24954	2.4
511.18600	6.6
511.25702	13.0
512.19501	1.1
512.26312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2542
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01876	5.7
56.20232	0.6
57.03445	7.1
58.00578	2.8
59.01375	52.7
61.98820	1.7
68.99813	1.0
69.03452	5.3
71.01376	100.0
71.05013	2.8
71.28887	0.6
71.51363	0.9
72.01722	1.2
72.99296	6.0
73.02941	29.8
75.00874	2.2
75.39371	0.6
81.03456	2.5
83.01380	22.1
83.05025	1.9
83.10384	0.5
84.02173	1.0
85.02946	41.4
85.06590	1.5
86.00083	1.4
87.00865	12.3
87.04518	1.8
89.02437	27.8
93.03441	1.0
95.01371	9.8
95.05048	1.3
95.76775	0.6
96.95978	1.0
97.02936	5.3
97.06590	1.7
99.00874	9.4
99.04502	1.0
99.08167	0.9
101.02434	50.9
101.06078	0.7
109.02949	1.8
109.06628	1.1
111.00859	3.1
111.04510	1.3
112.01669	2.4
113.02441	53.3
115.00357	0.8
119.03504	5.9
122.03786	0.7
123.04514	1.5
123.08150	0.7
124.01636	0.6
125.02447	6.3
125.06042	1.1
129.01906	1.4
131.03503	5.3
133.02977	0.9
135.04503	1.2
137.02431	1.6
139.04008	0.9
143.03468	6.2
149.04576	1.7
151.03987	0.7
155.03497	0.8
159.03000	4.1
161.04541	14.3
171.10242	0.7
177.01999	0.7
181.12222	0.6
209.11745	1.7
227.12938	0.8
233.15483	0.7
235.17007	14.2
253.17943	1.8
257.70917	0.7
275.07596	1.1
277.18021	1.0
299.54736	0.8
307.19077	0.6
331.19064	0.9
349.20224	2.9
367.21198	14.0
383.56342	0.7
385.22229	0.8
391.21182	1.0
409.22284	2.4
421.22198	1.1
433.22083	3.1
435.23672	0.9
437.21674	1.5
451.22955	1.3
463.23343	2.7
475.23422	1.2
493.24417	1.0
511.25372	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	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03444	2.6
58.00586	1.2
59.01377	24.7
61.98825	2.3
67.01886	0.2
68.99820	0.3
69.03456	0.6
71.01377	47.0
71.52311	0.3
72.01711	0.5
72.99311	2.5
73.02943	11.1
75.00863	0.8
78.95877	0.3
83.00916	0.5
83.01379	5.5
84.02174	0.3
85.02944	18.5
86.00082	0.5
86.03291	0.3
86.30244	0.2
87.00867	2.1
89.02442	11.3
92.81791	0.2
95.01382	3.4
96.62941	0.2
96.96004	1.1
97.02946	1.1
99.00877	4.8
99.04536	0.3
101.02436	25.4
102.02789	0.2
111.00877	2.2
113.02443	15.5
114.02740	0.3
114.93433	0.3
115.00377	2.7
119.03494	3.9
119.05011	0.9
125.02425	0.8
129.01939	0.9
131.03476	0.7
133.01413	3.6
133.02898	0.4
134.01730	0.3
134.03722	1.0
135.04497	0.7
143.03481	1.2
145.02969	0.4
147.04428	0.3
159.03008	2.3
161.04547	11.9
162.02847	0.3
173.06029	0.3
174.06587	0.3
175.03976	0.3
175.07648	0.3
177.01967	0.3
178.02776	0.3
179.03363	0.3
179.05627	0.5
187.07619	0.4
197.15521	0.5
201.09187	0.2
203.07253	0.3
204.07709	0.4
205.03596	0.4
205.08157	0.3
209.11813	0.4
216.07280	0.2
229.08667	0.3
230.09239	0.3
231.10170	0.4
248.10201	0.4
249.10347	0.4
275.09229	0.7
296.09137	0.5
297.09528	0.3
299.25861	0.9
315.15854	0.4
318.49588	0.2
327.15775	0.4
328.16327	0.3
329.17032	0.3
345.16800	0.3
345.23358	0.3
345.30026	5.7
346.30432	0.3
347.17975	0.7
373.16159	0.4
391.17130	1.1
411.43954	0.2
463.25516	1.2
483.08994	0.3
507.35327	100.0
508.35709	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	509.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03445	3.8
57.43016	0.4
58.00598	1.1
59.01375	100.0
60.01696	0.7
61.98829	3.3
69.03461	1.8
69.71322	2.3
71.01379	38.1
71.05014	0.7
72.99313	1.7
73.02943	59.8
74.03309	0.6
75.00872	0.9
79.05519	2.8
80.96517	0.8
81.03435	0.8
83.01382	16.0
83.05021	2.8
85.02950	4.9
85.06591	1.3
87.00857	1.4
87.04510	8.8
89.02443	5.8
95.01381	1.7
95.05013	0.6
96.95989	0.6
97.02932	1.4
99.00890	1.4
99.04490	1.2
101.02438	45.8
102.02761	1.0
107.05050	0.8
109.02933	0.8
109.06635	0.5
111.00860	0.5
111.08106	0.5
112.01655	1.3
113.02441	16.0
113.06086	2.0
115.00343	1.1
116.92813	1.2
119.03491	3.8
119.08612	0.5
121.06596	1.9
121.10227	0.4
122.03714	0.6
123.04475	0.7
123.08149	5.5
125.02428	2.5
125.09689	1.6
127.04060	0.9
127.07605	1.9
131.03502	4.0
133.01387	1.3
133.06479	0.5
135.04500	0.5
135.08113	1.5
136.05251	0.7
137.02422	0.8
137.09692	0.8
139.07611	1.2
141.09193	2.3
143.03520	4.1
147.08162	0.8
149.04555	4.3
149.09686	0.8
151.03973	2.1
151.07593	1.8
152.04807	0.6
153.09177	0.9
153.57971	0.4
155.03476	1.9
155.71288	0.4
161.03288	0.5
161.04549	9.7
163.07625	0.7
165.09163	2.0
166.05020	0.5
166.06339	7.0
167.07045	1.9
168.07855	2.9
169.08653	0.6
171.08089	1.1
173.09657	0.8
175.07594	2.0
179.10693	0.8
187.11192	0.5
189.09129	0.5
189.12776	1.3
198.05289	0.5
199.11234	1.1
201.09157	0.7
201.12767	0.5
203.05507	1.2
203.10631	0.7
215.10652	1.3
216.11502	0.5
217.12167	1.6
221.06480	1.2
225.16386	1.0
227.14311	2.4
228.14740	0.6
229.12210	1.1
233.11491	0.7
239.10620	1.1
241.12402	0.6
243.17503	4.9
247.13348	3.4
253.12080	0.5
254.13124	3.4
259.16840	0.9
269.15451	15.7
270.15775	0.5
287.16507	25.6
288.16644	1.5
305.17584	3.4
322.34125	0.4
393.22110	0.6
480.81635	0.5
491.21829	0.5
509.22913	2.5
509.31534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2958
Annotation	Siserrone A
Peak:m/z	Relative Intensity
51.26329	0.4
59.01382	2.5
61.98828	1.2
62.05069	0.3
64.18872	0.3
71.01371	1.8
71.52182	0.4
78.38623	0.4
80.96535	0.6
89.02447	0.6
91.04031	1.0
93.03446	0.3
115.00385	0.4
117.03457	20.2
119.05021	31.4
120.05372	0.5
121.02957	3.2
123.04527	1.1
133.02946	1.4
134.03722	0.7
145.02943	100.0
146.03261	3.1
162.03188	1.2
163.03999	23.6
164.04329	0.9
178.02617	0.4
183.06776	0.3
197.35341	0.4
209.11642	0.4
269.21182	1.9
275.09229	0.6
287.22278	7.6
288.22614	0.5
331.87845	0.3
415.24887	18.0
416.25369	1.3
423.09607	0.4
433.25916	17.7
434.26416	1.7
444.01752	0.4
478.71902	0.4
507.29575	85.3
508.29901	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	507.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03441	2.0
58.00584	1.4
59.01377	47.2
61.98824	6.4
69.03468	1.6
69.27769	7.0
71.01379	50.1
72.01714	1.3
72.99298	3.1
73.02946	8.9
75.00885	0.9
78.19594	0.7
83.01363	4.0
85.02947	13.1
87.00874	4.6
89.02440	23.0
93.78043	0.8
95.01382	1.9
96.96001	7.9
97.02939	1.0
99.00880	5.1
101.02437	26.4
111.00886	2.0
113.02457	10.3
115.00337	6.4
119.03474	1.8
125.02448	3.9
131.03487	12.7
133.01422	7.3
133.02946	1.8
134.71558	0.7
135.04491	2.5
137.69670	0.8
143.03506	1.6
149.04556	7.1
159.02911	1.7
161.04532	8.6
168.32669	0.8
176.97142	0.8
177.01990	1.1
178.02679	1.3
179.03516	1.1
191.05592	5.5
231.10190	1.1
233.06566	1.4
257.14502	1.0
293.08685	1.7
301.14337	0.9
303.14853	1.1
313.13455	1.1
315.18124	12.8
316.18274	1.0
328.16006	0.8
329.17047	0.9
337.62411	0.9
345.16895	1.3
347.17920	2.7
373.15884	1.9
390.16367	1.4
391.16742	3.0
391.22809	2.8
447.22296	100.0
448.22620	6.6
507.32422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03431	1.2
58.00586	1.3
59.01376	44.2
61.98814	4.0
69.03452	0.8
69.17047	4.8
69.17453	2.0
71.01378	42.0
72.99305	1.8
73.02947	9.1
75.00858	0.9
80.96535	1.3
83.01401	4.2
85.02955	11.7
87.00852	3.4
89.02443	24.3
95.01404	1.4
96.91022	0.7
96.96022	5.0
97.02943	2.3
99.00873	4.1
101.01804	1.5
101.02441	22.6
101.03101	1.4
111.00851	1.5
113.02447	11.0
115.00385	4.3
119.03481	1.6
121.57796	0.8
125.02444	4.2
131.03488	12.0
133.01430	5.5
135.04501	1.7
143.03508	1.1
149.04544	8.3
159.02974	1.1
161.04539	9.2
179.03479	1.2
191.05579	3.7
229.18164	0.9
233.06538	1.8
288.82742	0.9
293.08786	2.8
315.18082	13.8
345.17264	1.1
346.17078	0.8
347.17972	0.9
359.23718	0.8
391.17120	1.9
391.22003	0.9
440.16583	1.0
447.22308	100.0
448.22620	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	505.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03436	0.7
58.00577	0.4
59.01111	0.5
59.01381	5.7
63.39286	0.3
67.09435	0.3
69.03484	0.4
70.64085	0.8
71.01379	15.9
72.99305	0.9
73.02939	1.6
83.01380	1.3
85.02940	2.6
86.00073	0.5
87.00871	1.2
89.02457	1.1
95.01385	0.6
99.00893	0.4
99.69069	0.3
101.02434	3.1
111.00874	0.4
113.02409	1.9
115.00369	7.4
119.03558	0.4
125.02448	0.5
125.56882	0.3
129.98607	0.3
133.01425	3.1
136.52171	0.3
173.06036	0.6
175.07729	0.3
181.15945	0.6
187.04008	0.6
209.15454	0.8
214.06421	0.4
227.16508	12.7
229.08629	0.4
244.10852	0.4
273.14819	0.4
283.13257	0.8
301.14368	0.6
311.12930	0.8
327.16006	1.7
329.13849	0.7
345.17050	2.7
371.14999	1.2
371.20667	3.3
389.21762	100.0
390.22119	6.7
461.23615	0.5
505.23004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00246	0.3
55.01865	0.5
57.03439	0.7
58.00579	0.3
58.60559	0.2
59.01380	5.8
68.31284	0.2
68.58807	0.3
69.03441	0.3
70.64783	0.7
71.01376	14.2
72.99290	0.6
73.02945	1.5
83.01381	1.7
85.02951	2.8
87.00857	1.9
89.02426	1.6
95.01375	0.8
98.35903	0.3
99.00907	0.6
101.02426	3.9
111.00863	0.3
113.02428	1.9
113.65662	0.3
115.00369	8.6
119.03498	0.5
122.37723	0.2
125.02394	0.4
133.01419	3.6
149.29944	0.2
162.09410	0.3
163.85002	0.3
175.07590	0.3
181.15979	0.8
204.07922	0.5
209.15295	0.7
227.16504	11.9
228.16856	0.6
229.08574	0.3
230.97598	0.3
255.10291	0.4
283.13297	0.9
301.14401	0.9
311.12808	1.1
313.98630	0.3
324.79752	0.3
327.15982	1.9
328.16266	0.3
329.13870	0.7
345.17035	2.2
371.14996	1.1
371.20679	3.9
372.20999	0.3
389.21756	100.0
390.17163	0.4
390.22073	6.4
397.92426	0.3
398.08701	0.3
461.23831	0.6
505.22745	2.1
505.33582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18747	0.4
59.01369	1.6
61.98824	1.0
62.29869	0.4
69.18580	3.9
71.01387	0.5
78.95901	26.1
81.02584	0.4
83.05025	0.4
96.96936	1.9
98.60869	0.4
119.52876	0.5
127.07614	0.5
150.97951	0.5
152.99576	41.0
153.99904	0.5
171.00655	1.9
227.03209	5.8
245.04250	1.7
275.20056	0.7
277.21695	100.0
278.22028	5.8
413.21066	1.0
505.25693	76.9
506.26031	7.1
531.26599	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	506.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58853	3.5
61.98828	100.0
63.82452	3.7
71.18752	7.2
71.19094	4.0
96.95972	4.6
98.20471	4.0
110.97504	4.0
111.69289	4.4
114.49902	3.4
150.01089	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03447	1.0
58.00566	0.4
59.01121	0.4
59.01383	5.8
61.98829	4.8
65.00442	0.3
65.37788	0.3
69.32578	3.1
71.01381	15.5
72.99297	0.9
73.02941	66.4
74.02457	0.3
74.03301	0.3
80.13195	0.4
83.01398	1.5
85.02938	3.5
87.00874	1.7
89.02438	3.2
95.01377	0.7
96.96008	3.4
98.19873	0.9
98.95606	0.5
99.00888	1.4
101.02435	8.9
106.63354	0.3
111.00905	0.5
113.02446	3.7
115.00363	11.4
119.03487	1.1
119.04984	0.7
121.02962	0.7
125.02428	1.2
131.07118	0.8
133.01418	4.0
134.01768	0.4
134.03743	2.6
135.04495	1.3
137.02457	0.4
137.09816	0.5
141.08189	0.4
147.02975	0.5
149.02440	0.4
149.06058	0.4
150.03232	2.0
155.10770	2.0
161.04523	1.9
161.09726	0.7
163.04034	0.5
165.05515	2.5
178.02695	0.9
179.10721	2.6
187.02455	0.7
191.01884	0.4
191.05602	1.3
193.05049	3.9
194.05467	0.5
195.06616	1.7
199.09776	1.8
205.12198	0.4
229.14467	0.6
258.01715	0.4
317.15973	2.5
341.10223	2.2
373.14157	0.6
373.18710	1.0
389.12164	1.0
391.19690	100.0
392.20087	6.7
427.11450	0.4
507.14017	0.7
507.21243	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.6
60.72989	1.4
71.01015	2.6
71.01380	33.4
72.99281	3.1
87.00871	7.1
89.02415	1.5
93.03460	2.1
95.05019	1.5
105.03477	4.4
106.08443	1.6
109.02943	15.6
110.49020	1.7
113.61405	1.5
115.00368	55.8
121.02940	7.9
123.04540	1.5
124.01640	6.3
125.02454	1.4
133.01408	86.1
133.02937	47.9
134.02737	3.3
134.03737	59.0
135.04503	3.3
137.02454	34.7
139.04001	12.0
148.05287	2.1
150.03218	3.8
159.04514	3.9
160.05162	2.1
161.02449	11.0
161.06076	14.1
162.03058	3.7
162.06787	6.1
164.48174	1.6
172.05273	2.7
174.03178	4.0
174.06868	2.3
175.04019	3.5
176.04747	9.0
177.01941	20.1
177.05537	7.0
178.02708	100.0
179.03262	3.8
185.06068	1.8
186.06828	4.3
187.04030	7.6
187.07655	10.0
188.04715	2.1
194.02127	3.3
197.06073	4.3
198.06812	2.7
200.04810	3.5
201.05540	8.4
201.09264	3.1
202.06320	4.5
203.07152	14.0
204.07794	2.9
205.04994	2.6
205.08673	9.5
205.12329	3.3
211.13356	11.1
214.06296	4.4
215.07150	3.1
229.08713	8.1
230.09480	11.2
232.07462	3.5
233.08130	5.5
235.13385	2.1
246.09036	1.6
247.09750	37.7
248.10353	6.1
250.04797	5.1
257.15417	2.9
283.13358	3.9
292.09409	2.2
294.03757	15.6
299.16501	4.4
301.14377	9.7
309.14871	16.6
317.17551	3.2
327.12122	3.0
327.15982	56.4
328.16296	4.7
338.04706	2.0
344.89709	1.6
345.17044	71.6
346.17282	5.7
365.08633	3.4
371.14987	20.2
372.15289	2.0
389.16058	26.5
390.16373	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24239	1.5
59.01372	7.4
65.62025	1.4
69.28488	3.2
69.28885	10.3
71.01376	32.3
72.99297	2.0
83.74983	1.4
87.00887	8.6
93.03445	1.7
95.00561	1.5
105.02160	1.6
105.03440	4.5
106.04236	2.1
109.02951	12.9
111.00865	1.7
114.99574	2.7
115.00372	52.8
121.02979	7.6
124.01627	3.5
133.01414	81.1
133.02936	41.9
134.03746	47.3
135.04506	3.0
136.01625	1.4
137.02440	36.1
137.03503	2.3
139.04004	8.3
140.94145	1.4
146.03682	1.6
150.03191	3.9
158.03735	2.1
159.04561	3.4
159.08177	1.5
160.01633	2.0
161.02513	9.5
161.03578	1.5
161.06015	8.9
162.03154	3.5
162.06831	5.3
172.05234	2.5
173.06061	2.2
174.03204	4.8
175.04008	3.0
175.07590	2.2
176.04776	9.1
177.01929	16.4
177.05492	6.1
178.02702	100.0
179.03320	4.5
186.06796	3.2
187.04050	7.9
187.07626	10.2
188.04758	3.3
189.05495	1.5
194.02101	2.5
197.06070	2.5
200.04713	2.7
201.05571	8.7
201.09207	4.2
202.06352	4.3
203.07130	13.2
204.07513	1.9
205.05055	3.1
205.08669	12.1
207.14008	3.0
211.13428	11.5
214.06284	7.5
215.07076	4.0
224.06880	1.7
229.08699	8.8
230.09460	12.9
232.07385	3.7
233.08157	7.7
235.13318	3.2
246.08971	2.1
247.07175	2.5
247.09731	51.9
248.10297	5.9
250.04851	3.7
283.13361	4.0
294.03876	13.7
299.16367	3.0
301.14514	7.8
309.14911	16.0
311.12997	1.6
317.17236	2.1
327.12125	2.9
327.15979	53.7
328.16208	2.9
345.17023	71.9
346.17258	4.1
365.08795	7.0
371.14948	19.2
389.16028	30.1
390.16354	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	505.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33780	2.8
59.01363	2.9
61.98819	5.2
63.96230	8.8
70.62732	7.4
71.01379	12.0
73.02953	3.9
85.02930	3.8
87.00878	10.4
87.92537	4.7
96.96024	8.3
101.02408	5.0
103.92004	8.8
109.02943	64.4
111.00855	3.7
115.00372	3.1
119.05049	5.0
119.89761	6.9
121.02947	6.4
123.04527	6.1
129.65514	3.0
130.06645	11.6
133.01482	3.3
135.04509	28.5
149.02406	17.1
149.06052	3.6
150.03180	6.1
151.03966	16.3
155.03531	6.7
158.31694	3.1
159.92844	12.5
161.02434	17.1
163.03963	14.5
166.87469	3.3
177.05542	6.2
179.03503	16.0
187.04070	4.9
189.05547	6.6
191.03534	8.1
193.05032	100.0
194.05486	4.7
195.06598	34.4
203.03520	6.3
203.08267	4.3
205.05069	25.4
205.06941	5.2
207.06685	4.7
213.03345	3.3
221.04414	6.4
223.06110	14.8
228.94934	4.4
233.04549	8.5
235.06207	3.9
239.62352	3.0
251.05580	28.1
253.07175	14.3
256.94421	20.9
259.03885	3.9
265.07047	5.5
283.08200	89.3
284.08414	5.7
301.05026	9.2
314.04352	4.6
360.37762	3.2
385.11261	5.9
412.15067	3.3
413.10834	26.0
415.12582	9.2
443.02414	3.2
445.13358	79.3
446.13593	7.1
475.26941	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.7
61.98821	3.7
71.01377	29.9
74.36190	1.3
93.03460	1.8
96.95994	8.3
98.19845	2.3
101.02442	3.6
113.88805	1.2
115.00370	22.2
121.02926	13.3
122.03728	4.2
133.01399	15.4
133.02969	2.8
134.03729	42.4
134.04738	2.3
135.04497	4.3
137.02411	6.0
139.03937	1.5
149.02426	19.1
149.06110	12.4
150.03209	47.1
160.03952	1.6
163.03970	1.6
164.04799	4.8
165.05557	55.5
166.05843	1.9
178.02702	22.9
179.03172	1.6
180.04315	6.2
193.05026	100.0
194.05452	3.2
195.06609	44.9
229.08702	1.4
229.35120	2.1
239.07103	3.9
250.06316	4.7
254.09621	1.3
267.06509	2.4
282.08923	11.5
297.11218	2.3
301.14532	6.7
307.06448	2.7
326.07794	1.3
341.06128	3.1
341.10248	51.3
342.10550	2.6
345.17255	1.9
389.12457	21.7
389.17581	1.9
390.12579	2.3
505.15549	11.1
506.15671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31772	1.0
51.01897	1.2
55.90085	1.1
59.01369	2.0
61.98835	3.3
70.33681	3.1
71.01385	1.5
78.95898	48.5
96.96961	3.9
109.02870	1.1
152.99579	62.6
171.00635	18.1
184.77000	1.4
198.00291	1.3
225.18513	1.3
227.03218	2.4
231.21173	34.9
231.23453	2.1
245.04292	100.0
246.04526	1.5
275.20117	51.4
276.20453	2.4
279.23260	58.8
469.78662	1.5
501.67236	1.5
503.24084	36.0
504.24423	3.0
504.31006	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07233	0.8
59.01376	100.0
60.01720	1.0
61.98846	0.8
70.86063	1.8
71.01377	16.3
73.02946	3.2
77.03998	0.9
83.01400	1.4
85.02946	4.4
87.04525	1.5
89.02436	4.3
95.01379	1.4
99.00866	1.3
101.02429	4.8
105.03452	1.2
107.17824	0.7
113.02425	7.4
115.00366	5.1
126.40817	0.8
126.84200	0.7
133.01422	5.7
133.02950	7.2
135.04501	1.0
137.02415	0.8
143.03487	1.0
161.04555	2.6
163.77414	0.8
168.05536	0.8
177.01938	8.0
178.02641	1.4
207.13921	2.0
225.14943	0.9
227.06958	1.2
265.51001	0.8
276.09003	0.8
382.06110	0.9
387.15112	1.7
387.19962	16.3
388.20566	1.7
399.23822	16.6
400.24048	1.2
417.24924	5.7
459.26041	2.5
480.80069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30687	0.3
57.04125	0.3
59.01375	27.1
60.01709	1.9
61.98825	100.0
70.34753	1.0
77.96619	0.4
90.97147	0.6
117.11765	0.4
158.03682	0.4
159.03339	0.7
162.26437	0.3
174.99236	5.7
175.99582	1.3
177.96745	0.8
201.02516	3.6
202.02670	3.5
203.02248	4.1
203.99948	7.2
204.02834	0.9
205.00121	0.5
217.00264	24.0
218.00595	6.8
219.00876	1.9
219.02646	0.3
219.97731	50.7
220.99704	2.3
253.15005	0.3
346.04080	0.5
359.01428	2.2
360.01654	8.6
361.01315	9.2
361.98572	25.6
362.99692	2.3
478.23956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60721	1.7
55.14904	2.0
57.03428	2.8
59.01361	7.0
61.33557	2.2
61.98831	17.0
68.06344	1.9
68.99800	1.9
70.02361	6.7
70.26013	1.8
71.01372	15.5
72.99287	1.9
79.14455	1.9
83.01382	8.4
85.02945	3.2
87.00877	17.1
96.96008	6.1
99.00871	15.5
101.02422	3.2
109.02931	5.2
110.95827	1.7
111.00900	9.4
112.98804	41.5
113.99637	1.9
115.00373	32.4
120.01237	15.8
124.98772	7.0
128.03502	3.1
129.01920	3.7
133.01431	3.3
142.99854	88.8
145.01416	4.6
165.73755	2.0
169.04968	3.4
173.00893	60.2
174.01675	79.6
175.02472	50.2
179.03520	3.5
187.06087	6.1
193.69888	1.9
197.50958	2.1
210.81459	2.0
215.10986	2.0
253.07137	4.2
371.49191	2.2
415.12204	2.3
417.08459	5.3
425.51398	2.2
504.11746	100.0
505.11844	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20125	0.3
55.01867	0.6
57.03432	0.9
59.01378	14.9
60.01713	0.5
61.01785	0.4
61.98814	1.4
63.71501	0.3
69.03458	0.5
71.01378	25.5
71.19606	0.3
71.51542	0.3
72.99307	1.1
73.02943	2.3
77.03970	0.6
82.34463	0.3
83.01377	2.5
84.95120	0.3
85.02946	3.7
86.00072	0.5
87.00869	1.3
89.02435	2.7
93.03430	0.4
95.01369	1.1
95.04996	1.1
96.95965	0.6
97.02937	0.3
99.00873	0.8
101.02436	5.9
102.31158	0.3
105.03460	4.1
109.06583	0.4
111.00854	0.3
111.78294	0.3
113.02455	2.9
115.00370	13.0
119.03523	0.6
123.04600	0.4
123.08215	0.4
124.01606	0.4
125.02427	1.0
133.01460	5.1
133.02950	25.5
134.03775	2.4
135.04500	3.7
137.02420	1.7
137.09837	0.3
139.03944	0.4
151.04005	0.4
161.02458	0.7
161.04532	0.5
164.04750	0.4
165.00104	0.5
175.02550	0.6
177.01920	25.4
178.02661	3.8
179.03500	2.5
179.07014	0.5
191.38147	0.3
193.05040	0.5
194.05702	0.4
207.13860	0.8
209.08148	1.0
225.11528	0.4
225.14938	7.8
307.06433	0.6
309.17206	0.3
325.14572	0.5
343.11743	0.4
343.15549	0.5
347.69067	0.3
350.07620	0.3
357.09708	0.4
369.09601	0.5
369.14828	0.4
369.19174	3.2
387.20163	100.0
388.10690	0.3
388.20462	6.3
388.24902	0.5
459.22049	0.5
503.21506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03448	0.8
58.00594	0.5
59.01378	18.3
60.01717	0.4
61.51228	0.3
61.98810	1.4
65.15685	0.3
69.03436	0.4
69.29040	3.1
71.01379	27.1
71.05025	0.6
72.99299	0.9
73.02942	2.8
75.00849	0.4
77.03972	1.2
83.01392	2.0
85.02946	3.8
86.00074	0.4
87.00856	1.1
89.02447	2.4
95.01382	0.8
95.05018	1.4
96.96008	0.5
97.02925	0.5
99.00855	0.8
101.02435	5.4
105.03465	4.4
111.00837	0.4
113.02458	2.7
115.00365	14.4
119.03511	0.4
121.02930	0.8
123.04467	0.4
124.27766	0.4
125.02415	0.6
127.06986	0.4
127.07938	0.4
129.01859	0.4
133.01468	5.8
133.02946	30.6
134.03790	2.4
135.04515	5.4
137.02451	1.4
139.04015	0.5
139.11349	0.4
144.83730	0.4
149.02438	0.4
150.03194	0.4
161.02377	0.5
177.01917	29.7
178.02692	5.7
179.03479	2.7
179.07217	0.4
179.10652	0.4
181.12289	0.5
193.05125	0.5
207.03018	0.5
207.13853	0.7
209.08144	1.6
225.14931	7.7
274.54132	0.4
307.06537	0.5
325.14435	0.7
343.11826	0.5
357.09735	0.6
369.09866	0.6
369.19077	3.8
387.10678	2.2
387.20172	100.0
388.20602	6.2
440.56445	0.4
503.21280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.2
59.01376	100.0
60.01708	0.8
61.98832	0.4
69.61652	0.8
69.62059	0.4
71.01374	2.1
72.42549	0.2
73.02949	0.3
85.02943	0.3
98.20634	0.4
99.00911	0.2
101.02436	0.5
113.02470	0.3
115.00356	2.1
129.66206	0.2
130.20744	0.2
133.01431	1.8
161.04562	0.3
165.12849	0.3
207.14018	0.5
209.11887	0.8
217.13675	0.2
225.14897	0.3
251.12912	0.3
266.66144	0.2
269.13901	9.0
270.14355	0.8
285.92456	0.2
385.15143	0.8
385.22678	0.3
399.24069	0.2
441.25391	0.4
501.27057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39149	0.3
57.03447	0.3
58.87968	0.3
59.01372	6.5
60.01692	0.4
61.98830	1.4
69.27702	0.4
69.28100	2.3
71.01376	30.9
71.03933	0.3
72.01719	0.3
72.99294	0.8
73.02948	1.0
77.03952	2.0
79.95734	0.5
83.01392	0.4
85.02947	0.8
87.00878	0.8
89.02434	1.0
89.03968	1.4
93.03462	0.9
95.05019	4.6
96.96016	1.0
97.06586	0.4
98.19852	0.6
101.02428	1.6
105.03454	17.5
111.00873	0.6
113.02441	0.9
115.00364	16.5
121.02926	2.0
123.04509	1.6
127.34312	0.3
132.02144	0.5
133.01518	6.6
133.02948	100.0
134.03793	6.3
135.04520	9.4
137.02431	4.6
139.00327	0.4
139.04033	1.7
149.02422	0.5
150.03197	1.1
151.04001	0.8
157.01459	0.4
161.02443	0.8
161.04501	0.4
161.06178	0.3
163.03986	0.9
164.04688	0.4
165.00134	0.7
173.11818	0.5
175.02448	1.1
176.04797	0.8
177.01913	89.3
178.02687	14.2
179.03479	7.4
179.07132	1.3
191.05576	0.5
193.05043	0.4
194.05769	1.1
197.26007	0.3
207.02925	1.3
207.06554	0.4
209.08177	3.2
225.14856	0.4
307.06406	0.5
307.15686	0.5
311.05832	0.4
312.61444	0.4
313.10596	0.4
321.84265	0.3
323.09152	1.0
325.10788	0.4
325.14410	1.0
343.11652	0.9
357.09720	2.3
369.09714	2.2
387.10657	4.5
387.14453	0.6
387.20102	7.3
387.24030	3.8
503.23239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86149	0.2
59.01376	100.0
60.01713	0.6
61.81125	0.2
61.98855	0.3
65.29766	0.2
69.22993	0.4
69.23400	1.7
70.62867	0.2
71.01376	4.3
73.02942	6.2
83.01375	1.6
85.02950	0.4
89.02432	1.4
96.96024	0.4
101.02438	7.0
113.02447	2.1
119.03518	0.7
127.32397	0.2
131.03502	0.6
133.01479	0.3
143.03500	0.8
143.07153	0.3
147.54907	0.2
149.04546	1.3
161.04549	2.2
172.47704	0.3
197.29657	0.2
221.06670	0.5
247.17090	0.4
253.09480	0.3
265.18063	0.4
344.73541	0.3
399.23672	0.2
501.04648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40171	0.2
57.03425	0.3
59.01377	100.0
60.01708	0.5
61.98851	0.6
71.01377	4.0
71.52353	0.3
73.02945	3.6
83.01402	1.2
85.02954	0.7
89.02464	1.0
96.93093	0.3
101.02432	3.7
113.02417	1.6
115.00396	1.0
119.03529	0.5
131.03546	0.3
143.03593	0.4
149.04552	0.7
161.04532	1.4
207.13873	1.4
233.40015	0.3
247.16978	1.3
253.09360	0.7
265.18088	2.6
265.20602	0.3
367.25064	0.4
378.80707	0.3
385.25989	6.6
385.30548	0.5
457.24435	0.6
501.31784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54078	0.2
59.01376	100.0
60.01724	0.5
60.88352	0.2
61.98845	0.3
71.01373	3.0
72.99312	0.2
73.02950	0.8
74.13427	0.2
75.89393	0.2
83.76874	0.2
85.02951	0.3
89.02457	0.6
95.08983	0.2
96.96010	0.3
101.02448	1.3
113.02463	0.8
115.00385	0.9
119.03523	0.3
133.01450	0.7
133.02983	0.4
161.04578	0.7
162.07941	0.2
163.91301	0.2
178.02771	0.3
198.19310	0.2
222.50165	0.2
281.11945	0.3
304.80872	0.2
399.24091	1.0
407.25958	0.2
441.25095	0.4
526.44623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01703	0.7
61.01827	0.5
61.98836	1.8
66.51594	0.3
69.76033	0.8
69.76446	1.2
71.01381	3.2
73.02951	1.4
87.00850	0.5
89.02454	0.8
96.96014	1.1
101.02457	1.5
105.61543	0.4
113.02474	1.1
115.00394	1.4
119.03477	0.4
126.45642	0.3
133.01411	1.7
153.01913	0.6
160.22955	0.4
209.11887	0.9
235.93394	0.4
250.06400	0.6
258.71652	0.4
259.71909	0.4
263.10654	0.4
269.13998	1.3
292.07187	0.4
324.09967	0.5
353.14090	0.5
385.08957	0.4
385.22491	0.9
501.23224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88724	0.3
59.01377	100.0
60.01705	0.6
61.98829	2.4
69.26513	0.5
69.26917	1.6
71.01382	2.6
73.02956	0.7
76.41268	0.2
83.01384	0.5
85.02982	0.7
85.42717	0.2
89.02453	0.6
96.96027	0.7
101.02455	0.9
113.02409	0.5
115.00382	1.2
119.03471	0.3
119.05009	1.2
125.02439	0.4
133.01440	1.1
133.02960	0.3
134.03766	0.2
134.23325	0.2
137.68860	0.2
147.79350	0.3
160.01688	0.4
161.04555	0.6
175.03886	0.5
179.10733	0.4
193.05014	0.5
223.09802	0.4
239.06795	0.3
337.09460	0.7
339.10953	0.4
341.17706	0.4
353.13931	1.2
385.16742	0.4
385.22324	0.5
396.58041	0.2
441.25089	0.5
470.08942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17974	0.4
52.60662	0.4
55.12555	0.4
55.74169	0.4
59.01374	100.0
61.98828	1.0
68.06047	0.5
70.85317	1.1
71.01374	11.2
73.02941	10.3
78.61719	0.4
83.01391	2.9
85.02938	2.3
87.00883	0.6
88.98813	1.5
89.02435	6.6
89.29687	0.5
95.01421	0.8
96.96016	0.8
97.84186	0.5
101.02431	9.8
113.02441	6.2
115.00401	0.9
119.03504	3.5
125.22063	0.4
130.21486	0.5
131.03476	1.1
132.39146	0.4
133.01485	0.6
143.03522	1.1
149.04594	1.0
161.04547	2.9
168.67096	0.4
179.05658	1.9
227.56606	0.5
295.96930	0.5
306.82327	0.5
436.64203	0.5
501.20453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08993	0.5
55.01870	0.6
57.15315	0.4
58.00583	0.6
59.01376	100.0
60.06949	0.5
60.09557	0.5
60.99290	0.6
70.85355	1.4
71.01374	11.4
73.02942	11.9
73.98743	0.6
74.45314	0.5
83.01374	2.4
85.02953	2.0
88.98811	1.8
89.02436	7.4
101.02441	12.0
103.84500	0.5
105.58543	0.4
109.20289	0.5
113.02443	4.5
113.04665	0.4
115.00392	0.9
119.03494	3.1
131.03522	1.0
131.76782	0.5
133.01428	0.6
143.03537	1.0
147.39120	0.5
149.04593	1.4
155.78899	0.5
161.04553	3.0
166.72960	0.5
172.48244	0.5
179.05608	1.6
179.62152	0.5
182.89577	0.5
277.26999	0.4
312.86496	0.5
336.86905	0.5
385.23407	0.5
501.20227	1.2
501.27676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40757	0.8
58.00598	1.2
59.01380	10.7
60.71902	0.6
61.98820	8.7
61.99067	0.8
71.01380	8.0
71.50877	1.3
72.99310	2.1
73.02943	1.3
77.54684	0.6
78.95938	0.8
85.02948	1.2
87.00902	3.1
89.02431	3.9
89.84592	0.7
91.05550	3.2
92.45712	0.6
93.03461	1.3
96.96004	16.8
96.96956	1.2
98.95613	2.1
99.00893	3.6
101.02464	3.0
107.43972	0.7
108.02173	0.7
109.02962	1.9
115.00362	6.8
119.05019	0.7
125.02459	2.0
128.03557	1.5
129.10356	0.8
131.03502	1.0
133.01434	3.7
133.02946	1.5
135.04547	2.9
139.00383	0.7
149.06059	7.5
161.02414	4.7
163.04002	10.6
163.08835	1.2
165.01949	1.1
165.05583	0.8
165.97632	0.7
166.83749	0.7
171.65144	0.9
174.03209	0.8
175.02477	3.2
175.03891	1.1
176.05888	7.4
177.01910	7.0
177.06674	14.6
179.03424	1.3
187.02454	1.2
189.05495	0.8
190.66644	0.7
191.05606	1.5
191.08250	23.9
193.05008	1.5
203.08243	1.9
205.06155	40.8
206.02280	1.1
206.06432	0.8
219.03084	3.0
219.07718	43.0
220.08052	1.5
223.06125	1.5
233.04526	4.5
237.04031	2.5
245.09274	1.7
277.03488	12.1
293.06897	1.2
297.09137	0.8
304.95178	0.8
319.04568	4.1
321.10779	3.3
337.05676	6.0
339.11917	100.0
340.12247	5.4
441.19595	1.0
501.10690	2.5
501.17117	25.1
501.24847	1.3
502.17450	1.3
502.24838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45520	0.7
57.03432	1.0
58.00584	1.4
59.01376	51.0
61.98822	2.1
69.28223	6.6
71.01378	33.7
71.01781	0.9
72.99308	1.9
73.02943	2.3
74.30196	0.7
81.07758	0.8
83.01389	1.5
85.02943	4.3
87.00858	0.8
89.02439	22.5
91.41508	0.8
95.01384	2.2
96.96015	2.0
99.00907	0.7
101.02441	16.4
107.08741	1.0
111.08165	1.8
111.98606	0.7
113.02447	9.3
115.00372	13.8
118.54562	0.8
119.03494	9.3
133.01425	5.7
161.04539	2.9
161.13354	5.2
170.68079	0.8
179.03607	0.9
179.05566	5.0
179.10855	1.5
191.05583	1.2
203.10692	1.1
205.12349	10.9
223.09674	1.3
223.13396	1.0
269.13940	5.2
385.18680	100.0
386.18939	6.1
423.54044	0.8
451.33493	0.8
453.97620	0.8
484.97986	0.8
501.19943	3.6
527.45068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
58.09855	1.1
59.01377	58.6
61.98815	2.4
64.48824	0.9
70.95979	1.6
71.01377	39.9
72.99287	2.9
73.02921	3.2
83.01371	2.5
85.02956	3.9
87.00872	1.1
88.97963	0.9
89.02438	23.9
95.01365	2.0
96.96014	4.9
97.30963	1.0
100.80061	0.9
101.02433	17.4
107.08624	1.3
113.02431	9.1
115.00368	17.2
115.40821	0.9
119.03483	9.4
133.01421	9.6
133.02960	1.4
135.04483	3.0
141.77423	1.1
143.03471	1.7
161.04526	4.0
161.13315	4.2
177.01936	1.3
179.03444	1.4
179.05595	5.8
179.10715	2.5
203.10686	1.7
205.12318	10.8
223.09642	3.3
269.13922	6.0
385.18658	100.0
386.18890	6.5
501.19873	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.31747	0.8
60.01728	0.8
61.98822	1.7
67.13708	0.9
70.24428	2.9
71.01380	10.8
75.00876	1.3
91.04012	2.9
98.27479	0.9
107.31142	0.7
109.89584	0.8
113.02477	1.1
113.79354	0.7
115.00385	2.3
133.01497	0.8
143.92361	0.7
148.71986	0.7
189.37769	0.7
277.21695	15.6
283.13440	3.9
319.22888	2.2
327.15961	1.1
347.25876	1.8
365.26880	10.6
514.32397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	80.9
60.01724	0.4
65.29471	0.3
69.33137	2.3
69.33545	0.8
81.79645	0.4
85.08629	0.4
90.97128	0.8
132.98183	1.6
156.67560	0.4
157.03551	3.4
159.01488	1.0
174.99225	22.6
201.02528	36.0
202.02647	1.8
217.00273	100.0
218.00594	1.7
343.03644	2.9
359.01437	71.8
360.01700	4.1
403.75394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78440	0.2
53.28509	0.3
56.49738	0.2
59.01376	4.8
61.98821	0.7
69.42956	1.0
69.43385	0.9
71.01374	5.5
73.02966	1.2
75.00865	0.4
81.03464	0.5
85.02944	1.0
87.00882	0.5
89.02455	1.0
89.03971	1.4
93.03470	0.3
94.96858	0.2
95.04968	0.3
95.98931	0.2
96.95999	4.7
97.02946	0.3
98.19963	0.6
101.02428	1.5
105.03451	2.8
113.02451	1.3
115.00359	3.7
116.00686	0.3
116.23583	0.2
119.03536	0.3
119.05061	0.3
130.08719	0.3
133.01447	2.7
133.02940	8.2
133.05061	0.4
135.04504	2.3
135.11836	0.3
149.02434	0.7
155.10770	0.4
159.11758	0.8
161.02438	4.7
161.04465	1.3
161.09686	1.1
163.03903	0.2
176.01163	1.0
177.01910	100.0
178.02257	3.1
179.03548	1.2
179.10744	3.9
182.03568	0.3
191.05571	0.5
199.09758	0.4
201.01802	0.6
203.10719	2.8
205.12428	0.3
209.11827	1.2
221.11890	0.5
221.47234	0.3
223.09735	3.4
233.11746	0.3
269.13895	1.4
295.11987	0.5
323.07681	1.9
325.12802	0.7
335.01276	0.3
339.07153	21.8
340.07532	1.3
385.15036	2.7
385.22394	0.6
495.67822	0.3
501.10327	11.8
501.18112	0.9
502.10876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
57.03444	5.3
59.01369	2.4
61.98816	0.9
64.46158	0.6
71.01373	2.5
71.50496	1.0
79.95735	1.0
80.96507	1.2
83.01382	68.2
84.01728	0.8
85.02950	4.8
87.00871	0.8
87.04507	7.1
89.02425	1.4
96.95998	2.2
99.00860	2.1
101.02466	1.3
112.93710	0.9
113.74423	0.6
115.04010	2.6
119.03525	0.7
127.00359	18.8
131.03485	0.7
133.01401	0.9
159.02977	100.0
160.03296	2.0
191.05557	3.1
195.06599	1.7
196.02301	0.6
201.02498	0.5
217.00327	0.6
219.02983	1.3
309.14761	0.7
314.97159	0.7
341.10950	1.3
500.95239	1.4
501.06656	7.1
501.12756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89376	0.9
55.38454	0.8
59.01376	100.0
60.01711	1.2
61.98831	6.0
69.40456	1.5
69.40861	7.0
71.01375	19.3
73.02942	2.1
73.43530	1.1
83.01408	1.2
85.02943	1.8
87.04510	72.4
89.02438	2.4
96.96002	10.0
97.86644	1.0
98.19951	2.1
101.02467	2.5
113.02449	2.8
115.00365	3.8
119.03542	1.2
120.09522	0.9
127.07640	1.0
133.01398	2.7
133.02959	1.7
134.03719	2.3
135.04524	5.0
137.02414	1.8
142.99872	1.8
161.04579	1.6
177.01906	1.2
178.02666	2.4
179.03442	5.8
198.23239	1.0
209.11833	2.9
309.20703	1.4
325.20111	2.0
332.94772	1.1
350.84042	1.1
366.43469	1.1
377.21597	4.0
383.24420	13.2
397.22150	2.1
419.22659	1.9
434.28308	1.3
515.95099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36580	0.2
56.02728	0.2
59.01377	100.0
60.01716	0.5
61.98819	0.2
69.48806	1.1
71.01388	1.6
73.02941	0.6
85.02965	0.5
89.02472	0.3
99.00877	0.2
101.02470	0.7
102.61921	0.2
113.02488	0.7
115.00381	0.3
119.03569	0.2
133.01437	0.4
148.05347	0.3
161.04576	0.6
163.07631	0.4
167.04005	0.2
186.55075	0.2
245.89674	0.2
272.27426	0.2
324.25522	0.2
383.07849	0.3
397.22287	1.2
439.23254	1.7
457.17108	0.3
499.25586	1.1
513.90045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34338	0.4
59.01377	100.0
60.01734	0.6
61.98823	1.6
64.59809	0.4
70.46324	1.4
71.01375	7.1
72.99307	0.5
73.02969	0.7
73.67523	0.4
77.72388	0.4
85.02961	0.9
88.98834	0.6
89.02471	1.0
89.03914	0.4
93.03444	0.4
96.96019	0.5
101.02443	1.3
104.27487	0.4
113.02446	0.7
115.00355	3.6
126.82632	0.4
133.01428	3.6
133.02933	0.8
134.03723	0.8
135.03639	0.4
135.04535	1.6
161.04559	0.4
161.99596	0.5
167.07025	0.4
178.02679	0.4
179.03534	1.1
201.11348	0.7
209.11816	0.7
217.16037	0.5
265.05173	0.7
281.04514	0.6
309.04150	1.4
323.05807	0.5
324.06448	0.6
354.81934	0.4
358.56274	0.4
383.07556	7.0
383.20792	0.5
384.08200	0.9
397.22333	0.5
439.23584	0.7
499.25873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90279	0.2
59.01362	0.3
61.98822	0.9
65.71266	0.2
66.78459	0.2
69.48361	0.2
71.01370	1.0
71.51027	0.3
78.95900	5.9
79.95731	2.9
80.96543	0.2
85.12112	0.2
96.96008	100.0
96.96916	10.6
97.95951	0.3
101.02428	0.2
111.01833	0.2
115.00343	0.7
131.60156	0.2
133.01440	0.6
135.04503	0.3
175.04024	0.2
179.03511	0.5
191.05667	0.6
199.09726	0.2
341.11072	0.2
499.14780	1.0
499.28918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2755
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
52.40526	0.5
55.01881	1.4
57.03442	0.9
58.00588	3.7
59.01379	100.0
59.33970	0.6
61.98829	2.1
66.31632	0.5
69.03452	0.7
71.01380	60.4
72.99299	4.7
73.02956	2.2
79.78400	0.5
83.01382	2.5
85.02950	9.9
87.00880	3.8
89.02443	78.2
95.01391	4.3
96.96017	0.9
97.02932	0.8
101.02442	37.9
102.02739	0.6
113.02450	26.3
115.00372	0.5
119.03500	36.9
125.02461	0.8
131.03519	3.3
133.01413	1.4
143.03488	8.2
149.04561	3.3
161.04543	7.3
174.01814	0.7
179.05605	17.9
179.94592	0.6
205.62691	0.5
207.39774	0.6
211.13370	1.3
229.14513	1.0
244.60252	0.6
317.21201	2.1
329.23288	3.9
335.22208	2.3
364.23135	0.6
385.57175	0.5
497.27454	32.8
498.28189	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39722	0.3
54.01675	0.3
55.01887	0.3
58.49515	0.3
59.01373	1.0
59.76786	0.3
65.90347	0.3
67.01898	0.3
67.56349	0.3
68.99807	0.4
69.72618	1.7
71.01376	1.1
71.18519	0.3
72.99301	0.9
75.00881	0.7
78.95901	0.4
81.22461	0.3
83.01389	4.0
83.20242	0.3
87.00887	0.7
93.03456	0.9
95.05005	0.5
96.96005	2.5
98.01520	0.3
99.00880	5.5
105.07100	0.4
106.04247	0.5
107.05031	0.6
108.02116	0.5
109.02947	9.7
110.03301	0.2
111.00856	0.3
111.94907	0.3
113.02419	0.4
115.00352	3.4
117.02026	0.3
119.05016	0.7
121.02964	0.9
121.06595	3.5
122.03779	0.3
123.00838	0.3
123.04408	0.6
127.00376	0.8
131.05017	0.8
133.01447	0.4
133.02951	2.8
134.03712	0.5
135.04514	3.4
137.02466	0.3
139.00369	0.6
145.02908	2.2
146.03746	0.7
147.04523	4.9
148.05273	3.7
149.06068	100.0
150.03209	1.7
150.06413	3.2
151.04007	0.7
151.64325	0.3
159.04532	1.5
161.02419	8.4
161.06058	2.2
163.03992	6.4
163.07672	0.4
165.05553	4.8
166.06099	0.3
173.04578	0.4
173.06052	0.6
174.03233	1.6
175.02568	0.9
175.03984	17.1
176.04428	0.6
177.01924	9.9
177.05545	1.3
179.03342	0.4
183.02979	0.4
185.06052	0.8
187.03984	2.0
187.07628	0.5
188.04739	0.7
189.05547	2.3
190.02606	0.4
191.03485	2.3
191.05545	0.7
191.07164	0.4
192.04224	0.9
193.05034	15.5
194.05472	0.3
201.05446	0.5
203.03450	0.9
203.07068	1.0
204.04329	0.4
205.05069	1.3
206.02211	2.4
209.04442	0.8
213.05548	0.7
215.03494	1.2
219.02962	34.8
220.03253	1.3
227.01863	0.4
229.04974	0.9
231.02811	0.4
231.06622	1.9
232.03735	0.6
233.04521	9.8
237.04021	48.1
238.04353	2.3
247.06021	0.9
249.07732	0.5
255.05186	0.7
257.04565	0.3
275.05536	3.2
277.03513	8.1
278.03870	0.5
279.05374	0.3
293.06635	5.1
294.06665	0.3
299.70224	0.3
319.04532	11.0
320.04596	0.6
337.05618	52.8
338.05951	3.3
381.08228	8.8
382.08853	0.6
395.09583	0.4
399.09253	10.6
400.09598	0.8
437.10721	0.5
439.08783	5.2
440.08817	0.4
481.09769	7.7
482.10281	0.6
499.10883	11.8
500.11151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07492	0.4
51.24456	0.3
59.01360	0.6
61.98827	100.0
71.01382	1.6
78.95906	0.5
97.68741	0.4
117.03502	0.9
119.05054	0.9
143.22238	0.4
145.02962	5.5
152.99576	1.3
163.04019	0.8
245.04295	3.5
322.71719	0.5
322.75708	0.5
433.25900	7.1
434.26208	0.8
449.02026	0.5
524.80035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01377	2.1
61.98821	1.1
68.44310	0.3
69.61974	0.3
69.93701	1.4
71.01377	4.5
72.99305	0.9
75.00871	4.7
79.95717	2.3
80.96508	1.1
83.01418	0.4
85.02948	3.1
87.00864	0.8
89.02460	0.6
95.95231	1.7
96.96005	88.8
98.19855	0.4
99.00872	1.1
101.02439	1.5
111.00880	0.7
113.02412	0.5
115.00374	0.7
115.04011	0.6
117.01900	0.4
122.97543	0.3
129.01920	2.2
133.01387	0.9
138.97076	2.3
141.01936	0.3
142.09085	0.3
150.09244	0.3
150.97035	0.6
159.03004	1.1
164.36816	0.3
168.98132	2.1
176.98685	0.4
177.04028	23.8
178.04410	0.3
187.89131	0.3
194.99692	1.3
198.99173	0.6
213.00729	3.1
235.96140	0.4
238.98874	0.4
256.99698	15.5
257.99985	0.4
259.01343	0.3
268.70850	0.3
280.79440	0.3
313.76794	0.4
350.75293	0.3
497.20581	100.0
498.20920	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide
Peak:m/z	Relative Intensity
55.01858	0.1
57.03155	0.2
57.03444	3.0
59.01147	0.1
59.01383	0.9
61.98817	0.3
66.43685	0.1
67.01885	0.1
69.03452	1.6
71.01378	1.9
71.05014	2.8
72.02158	0.2
72.99313	0.1
73.02943	3.6
75.00877	0.3
76.42628	0.1
81.03449	0.3
83.01374	0.1
83.05021	21.9
84.05354	0.4
85.02943	1.8
85.03449	0.1
87.00880	0.5
87.04501	0.5
87.08144	0.7
89.02441	0.3
93.03398	0.1
95.01382	0.2
95.05018	0.7
96.96007	0.3
97.02943	0.9
97.06574	1.0
98.19895	0.3
99.04514	1.1
101.06075	0.5
107.05064	0.5
108.02154	0.1
109.06599	0.5
110.03725	0.4
111.04510	0.2
113.02512	0.1
113.06076	0.3
115.07647	3.6
116.08039	0.1
121.06601	0.6
122.03706	0.2
123.04514	0.5
123.08152	1.6
125.02461	0.2
125.06074	1.5
129.09218	0.4
133.01411	0.4
133.06604	0.2
135.04507	0.2
135.08134	0.2
137.06079	0.5
139.07611	0.3
141.09206	0.7
145.08687	0.2
147.08115	0.2
149.06050	0.6
149.09727	0.1
151.07623	0.2
153.05556	0.3
154.08537	0.1
157.08717	0.3
157.10089	0.1
159.10260	14.8
160.10632	0.4
161.06059	0.1
161.09755	0.3
163.07646	0.2
163.11273	0.6
165.09181	0.1
172.09004	0.1
173.06087	0.1
173.09695	0.5
175.07605	0.3
175.11275	0.3
176.08461	0.1
177.09256	0.3
177.12831	0.4
184.08969	0.1
185.09663	0.2
185.13379	0.5
187.02495	0.1
187.07637	0.2
187.11198	0.3
189.09209	0.3
189.12791	0.1
191.10765	1.3
191.14461	0.3
193.12407	0.2
198.10547	0.2
199.11279	0.8
200.08449	0.3
201.09186	0.4
201.12842	3.3
202.13260	0.1
203.10806	0.4
203.14420	0.5
205.12321	0.3
209.09657	0.3
210.10555	0.1
211.11209	0.4
213.09242	0.6
213.12823	1.2
214.09915	0.3
215.10626	0.2
215.14488	0.1
217.08865	0.1
217.12329	0.9
217.16016	0.2
219.10379	0.2
219.13875	1.9
219.15865	0.2
221.15390	0.3
225.12793	0.7
227.10822	0.1
227.14421	2.7
228.11530	0.4
228.14702	0.1
229.12320	6.1
229.15991	0.3
230.12706	0.3
231.10289	0.2
231.13892	0.9
233.15599	0.1
239.14357	0.2
241.12364	0.3
243.13889	2.5
243.17711	0.1
245.15442	5.7
246.12587	0.4
246.15733	0.2
247.13341	2.5
247.17232	0.1
248.13881	0.1
249.14886	0.7
253.15981	0.2
255.13870	0.4
255.17561	0.2
257.15347	0.3
257.17581	0.6
259.13382	0.2
261.14993	0.7
263.14023	0.1
263.16486	0.3
265.14505	0.2
266.13080	0.1
267.17599	0.2
269.15390	0.2
271.14252	0.1
271.16971	0.8
273.14932	0.5
273.18127	0.2
275.12933	0.1
275.16400	0.2
281.15536	0.8
283.13327	0.2
284.14069	0.4
287.16251	0.1
289.18076	0.6
293.19070	0.2
299.16504	3.2
300.17020	0.1
301.14426	0.5
301.17715	0.1
302.15088	0.3
311.20078	0.5
317.17523	3.1
318.17844	0.4
319.19046	0.2
320.16302	0.5
335.18649	3.5
335.41693	0.1
336.18982	0.3
337.20029	0.3
347.18497	0.2
361.19904	0.1
361.24008	0.6
365.19510	0.1
369.24371	0.6
371.22232	0.4
373.23807	0.4
385.23752	0.3
387.25497	1.1
388.22351	0.1
389.23376	1.9
390.23401	0.2
391.25104	0.2
401.23422	0.1
403.24908	1.0
405.26529	0.9
407.20551	0.3
421.25778	0.3
423.25388	0.3
426.23834	0.2
441.26535	0.5
459.27490	0.9
460.28091	0.2
477.28552	3.1
478.29047	0.3
479.26379	0.2
495.29572	100.0
496.29926	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2597
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01873	0.6
57.03454	0.7
58.00587	0.9
59.01376	100.0
60.01700	0.9
61.98829	1.7
69.03466	0.7
69.62020	1.7
71.01379	24.7
72.99307	1.2
73.02942	18.2
75.00866	0.7
83.01381	5.4
85.02947	5.5
87.00879	1.2
89.02442	9.7
95.01378	2.1
96.95994	1.9
97.02953	0.4
99.00899	1.2
101.02438	18.0
113.02444	17.8
114.02766	0.4
115.00340	0.5
119.03476	3.8
125.02465	0.8
131.03453	1.6
133.01421	0.8
136.05280	2.3
143.03537	1.5
149.04573	1.7
149.06111	0.6
149.24893	0.3
151.07651	9.6
152.08423	13.3
153.08853	0.9
155.03462	0.6
161.04535	4.3
165.09273	0.4
179.05623	1.7
203.05632	0.4
203.10796	0.9
217.12350	1.2
218.13055	0.8
244.33034	0.4
257.86630	0.4
258.95746	0.4
273.18643	1.4
283.15802	0.4
291.19754	1.1
301.16687	0.7
333.20865	0.5
356.42761	0.4
417.23160	0.9
420.21826	0.6
435.23828	13.7
436.24384	1.2
453.24930	8.1
454.25424	0.8
472.07471	0.3
495.19052	2.0
495.26202	8.4
496.26447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2598
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
52.60987	0.2
55.01890	0.6
57.03439	0.8
58.00597	1.4
59.01376	100.0
59.13759	0.2
60.01711	0.7
61.98553	0.3
61.98823	1.8
66.24467	0.2
69.03459	0.5
70.37159	0.7
71.01376	30.7
72.01733	0.4
72.99296	1.2
73.02940	23.2
75.00874	0.8
75.70425	0.2
81.03466	0.4
81.04510	0.2
83.01380	7.1
85.02941	6.1
87.00871	1.9
89.02440	14.2
95.01385	2.0
96.96014	1.4
97.02949	0.7
98.95615	0.4
99.00861	1.3
99.04487	0.3
101.02437	21.5
102.02763	0.3
109.02989	0.3
113.02441	17.9
114.02725	0.3
115.00345	0.5
119.03493	5.4
125.02441	1.0
125.06073	1.5
131.03506	1.7
136.05266	2.2
139.07652	0.5
143.03477	2.4
149.04578	2.2
149.06032	1.4
151.07635	10.6
152.08421	13.5
153.08974	0.4
155.03456	0.7
161.04550	5.7
164.08319	0.4
165.09209	1.8
166.06393	0.4
177.09200	0.4
178.10002	0.6
179.05600	2.3
179.07050	0.5
189.09180	0.5
196.07376	0.6
203.05592	0.6
203.10759	3.8
204.11258	0.3
215.10770	0.9
217.12325	3.9
218.13068	2.5
231.13936	0.3
255.17567	0.4
259.16959	0.3
273.18546	4.8
275.16492	0.2
291.19620	4.6
292.20096	0.4
293.21606	0.3
301.16504	1.1
333.20691	1.2
343.17392	0.3
349.25122	0.3
389.99738	0.2
417.22745	1.8
420.21600	0.8
435.23819	34.6
436.24213	2.9
438.22498	0.9
453.24881	26.3
454.25269	2.3
477.25009	1.4
480.23819	0.5
495.25931	39.4
496.26251	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40191	0.4
51.86164	0.4
56.11442	0.4
57.03452	1.6
58.00574	0.5
59.01376	100.0
60.01704	0.8
60.49784	0.4
61.98825	6.3
69.46353	3.1
71.01378	9.7
72.99300	1.0
73.02939	14.2
75.00887	1.2
78.95874	0.4
83.01400	1.2
85.02954	6.3
87.04510	26.5
88.04866	0.5
89.02433	2.7
95.01394	0.7
96.96019	4.9
100.30413	0.4
101.02438	4.8
103.04009	22.0
113.02439	5.4
114.52423	0.5
115.00403	1.0
119.03497	1.2
131.03502	0.4
133.01440	1.7
133.02971	0.7
134.03773	0.6
135.04555	0.5
136.05310	1.0
137.09744	1.2
143.03517	0.8
151.07666	2.4
152.08434	3.4
161.04607	1.4
165.97232	0.6
177.03961	0.6
178.02780	0.6
226.68622	0.5
289.05460	1.3
291.14560	1.0
305.16150	0.9
317.14108	0.9
347.17215	0.7
405.21365	1.1
435.23566	3.9
452.45697	0.4
453.25171	1.6
464.18399	0.5
495.19009	3.3
495.25522	1.1
495.31641	2.1
506.07190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01380	2.9
61.98829	2.2
70.93754	0.8
71.01380	5.1
72.00384	0.4
72.99310	0.9
73.02910	0.5
75.00869	6.7
79.01600	0.3
79.95730	7.9
80.96516	1.2
83.01361	0.4
83.05047	0.4
85.02928	2.1
87.00859	0.9
88.77573	0.4
88.98800	0.8
89.02438	0.8
93.03508	0.4
95.95230	10.9
96.96004	88.4
99.00878	0.9
99.69103	0.4
101.02448	1.4
109.02934	0.5
109.25937	0.4
113.02431	0.5
115.00375	2.1
115.03979	0.4
122.03672	0.3
122.97603	0.6
123.04499	0.4
125.02399	0.5
129.01924	1.0
129.58356	0.3
133.01410	1.7
133.02979	0.4
134.03793	0.5
134.90265	0.3
135.04536	1.0
138.97064	4.5
141.01830	0.4
150.97025	1.8
151.97797	0.7
152.85443	0.3
159.02960	0.6
161.04442	0.3
164.98500	0.5
168.98152	1.8
176.98619	0.9
177.04030	16.0
178.04308	0.3
179.03532	0.7
183.10257	0.6
191.05591	6.6
194.99617	1.0
198.99146	2.9
213.00789	2.1
222.99133	0.5
225.00751	1.2
241.00209	2.0
256.99704	11.4
259.01132	2.1
393.12329	0.7
457.17090	0.5
459.30002	0.4
463.16550	0.4
495.19019	100.0
495.31363	5.6
496.19318	7.5
516.22760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26520	1.4
54.56704	1.3
57.03446	2.1
58.00588	2.6
59.01375	100.0
61.76616	1.6
61.98825	18.2
71.01377	60.1
71.42787	1.9
72.99310	5.5
73.02938	2.3
74.99091	1.5
75.00877	5.7
75.06854	1.4
80.89243	1.1
83.05016	1.8
85.02937	13.5
87.00861	5.9
87.04517	2.2
88.98807	1.4
89.02438	69.3
95.01385	2.1
95.95223	1.4
96.95996	16.7
99.00892	3.5
101.02437	30.1
109.03004	1.9
113.02446	24.6
115.00350	12.2
119.03498	31.6
120.99651	11.8
125.02479	1.8
131.03490	3.1
133.01421	17.0
134.03709	1.3
135.04521	3.4
135.08237	1.4
137.09679	3.0
143.03496	8.8
147.58972	1.3
149.04544	3.5
149.76744	1.2
155.10774	22.1
156.11050	1.7
161.04575	11.4
177.09189	1.6
179.05588	37.5
187.02322	1.4
191.05634	2.1
199.09738	14.6
212.61417	1.4
241.10724	1.5
243.15906	2.3
249.06151	2.2
267.07016	1.7
271.11703	2.1
331.14102	1.8
373.15155	1.7
433.24426	13.1
475.18121	3.9
493.17737	36.0
493.29944	2.7
494.19125	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2439
Annotation	Glabcensin L
Peak:m/z	Relative Intensity
54.58459	0.3
55.01868	2.1
57.03441	2.3
58.00591	0.8
59.01376	100.0
60.01691	0.5
61.64098	0.3
61.98830	0.9
67.01896	0.4
68.99820	0.5
69.03452	4.4
70.51790	1.1
71.01378	21.5
71.05017	0.7
72.99311	2.5
73.02940	7.0
75.00866	0.9
81.03465	0.9
81.22897	0.4
81.49470	0.3
83.01392	5.7
83.05008	0.5
85.02946	10.1
86.00097	1.3
87.00874	2.0
89.02425	2.1
89.67499	0.4
93.03469	0.8
95.01391	2.4
95.05023	4.7
96.95988	1.7
97.02956	1.3
97.06593	1.0
99.00880	2.2
101.02439	11.8
105.03463	0.6
105.43373	0.4
106.04269	0.4
107.05024	7.9
109.02950	1.5
109.06588	0.8
111.00858	1.6
112.01714	0.9
113.02439	5.8
115.00347	1.0
115.04002	0.3
119.03498	0.6
121.06549	0.4
123.04533	1.3
124.01629	0.4
125.02464	0.9
125.06073	0.7
129.01929	0.3
131.03572	0.5
133.01427	0.9
133.02966	0.8
134.03716	1.5
135.04463	2.1
137.02452	0.6
141.01930	0.4
143.03459	0.9
145.02989	0.5
146.03725	0.5
147.04547	2.3
149.06049	0.8
159.03036	0.5
159.04492	0.7
160.05272	1.5
161.04634	0.5
161.06023	0.4
170.85306	0.4
173.06059	0.7
174.06876	0.6
178.02679	1.7
179.03453	1.6
187.07545	0.4
188.08411	0.4
207.13937	0.4
209.11826	1.2
219.13896	1.2
221.15352	0.5
235.17023	0.4
247.17023	0.4
271.16986	1.0
281.33887	0.3
289.18042	12.1
290.18457	1.0
291.19720	0.5
298.23123	0.4
331.19012	0.7
345.20230	0.3
363.18115	1.6
381.19196	2.5
415.21234	0.8
415.69763	0.4
433.22238	44.5
434.22409	3.9
451.23318	50.2
452.23630	5.5
475.23428	1.0
493.24426	41.0
494.24753	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	493.2439
Annotation	Glabcensin L
Peak:m/z	Relative Intensity
50.62347	0.4
50.79786	0.5
55.01875	2.2
57.03441	2.9
58.00592	1.2
59.01376	100.0
60.01731	0.9
61.98815	1.0
69.03448	3.9
69.19456	4.0
71.01381	21.5
71.05028	0.6
72.99309	2.5
73.02937	6.4
75.00874	0.9
81.03455	1.5
83.01392	5.6
83.05034	0.6
84.16492	0.4
85.02940	10.8
86.00105	1.4
87.00888	1.8
89.02441	2.2
93.03485	1.3
95.01403	1.9
95.05022	4.1
96.96034	1.7
97.02944	1.5
97.06589	1.0
99.00883	2.6
101.02436	11.6
105.03455	0.8
107.05033	8.7
109.02932	1.2
109.06603	1.2
111.00867	1.4
112.01631	0.6
113.02460	4.8
115.00355	1.3
120.99642	0.5
121.03023	0.5
123.04543	0.7
123.15735	0.5
124.01675	0.6
125.02463	0.7
125.06062	0.6
129.01929	0.5
133.01459	1.6
133.02991	1.2
134.03706	1.0
135.04536	1.5
137.02457	0.6
143.03546	0.5
146.03787	0.4
147.04553	1.9
148.90341	0.5
149.06133	0.6
160.05278	1.2
161.04555	0.8
173.06075	0.5
174.06757	0.6
178.02745	0.9
179.03564	1.1
187.07771	0.6
188.08450	1.1
209.11742	1.1
209.68947	0.6
219.13779	0.9
271.16998	1.5
289.18048	11.3
289.20999	0.7
289.29111	0.4
290.18524	0.5
291.19806	0.8
292.20270	0.5
331.15186	0.4
331.19177	0.6
345.19055	0.6
352.91824	0.5
363.18143	1.4
381.19241	2.5
421.18561	0.5
433.22266	41.9
434.22705	4.0
451.23346	48.3
452.23730	4.8
493.24414	40.7
493.34988	0.8
494.24619	3.9
504.60870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03442	5.4
58.00587	0.6
59.01377	100.0
61.98830	2.3
67.19142	0.5
69.03452	1.0
69.25407	2.7
69.25832	1.6
71.01379	35.6
72.01710	0.5
72.99319	2.0
73.02943	34.2
75.00864	1.3
79.84497	0.5
79.95699	0.7
81.03467	0.8
81.21227	0.5
83.01387	8.7
83.05028	7.1
85.02951	6.4
87.00903	1.2
89.02460	4.2
89.32967	0.6
95.01404	2.3
96.96021	2.0
97.02943	1.5
99.00893	1.7
101.02438	23.0
102.02839	0.6
108.48306	0.5
111.00948	0.8
111.04562	1.2
113.02440	16.5
115.00374	1.6
116.92851	0.7
117.27186	0.6
119.03526	2.0
119.08698	0.8
120.62484	0.5
121.87291	0.5
123.08170	2.1
125.02486	1.9
125.06034	1.3
131.03500	1.5
133.01448	1.7
133.02998	0.8
134.03772	1.0
135.04553	0.9
135.08186	0.9
136.05321	1.3
137.09720	18.8
138.06894	1.2
139.07648	1.0
143.03491	2.6
149.04585	1.6
151.04005	0.6
151.07628	6.8
152.08427	4.8
153.09203	8.6
161.04561	7.9
161.05901	0.8
161.09767	1.6
163.11346	1.0
165.09210	1.8
178.09998	1.9
187.11299	2.2
191.10672	0.7
201.09276	0.6
201.12863	2.2
203.05577	5.2
203.10739	1.1
203.14461	1.2
204.11800	0.6
205.12222	0.6
209.11827	0.8
213.12936	2.1
215.10855	1.8
217.12317	11.0
219.13908	1.2
221.06738	0.6
229.15878	1.3
231.13921	2.0
241.12524	0.6
255.13788	1.0
256.14682	1.2
271.17007	23.9
271.60052	0.6
272.17456	1.6
289.18082	48.7
290.18405	3.6
295.53445	0.5
377.16516	0.7
377.23407	0.6
410.20731	0.5
433.22269	9.8
433.28192	0.7
451.23233	4.4
455.52414	0.6
493.17529	1.3
493.24292	3.7
493.30566	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51167	0.4
57.03451	2.1
58.00592	0.6
59.01379	29.2
61.98812	1.9
67.44283	0.4
68.99828	0.5
70.06350	1.9
71.01379	11.2
72.99305	3.4
73.02946	2.2
75.00872	6.9
81.03458	0.8
85.02943	8.8
85.03417	0.4
87.00868	3.9
89.02438	2.9
93.03432	0.7
95.01382	2.1
96.96006	0.9
99.00877	5.4
99.04501	1.5
101.02441	1.9
103.00387	1.1
113.02436	8.4
115.00360	3.1
115.04028	0.8
117.01928	1.1
119.03511	0.4
120.99660	0.6
125.02446	7.2
129.01904	1.0
133.01460	2.7
139.11287	10.5
145.01456	0.8
155.10750	1.0
157.01445	1.0
161.04535	1.0
163.11258	1.0
175.02473	1.6
181.12331	6.0
183.10249	10.1
187.02417	3.9
199.13361	0.8
225.11375	2.4
243.12407	2.8
249.06134	4.0
267.07010	0.8
297.11432	0.7
313.42261	0.5
317.15955	3.2
431.19302	2.1
433.18192	2.9
433.24136	3.9
434.24521	0.5
475.18152	3.0
493.19205	100.0
494.19565	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03427	0.7
59.01377	13.8
61.98825	4.5
69.03441	1.0
71.01380	17.9
71.52008	0.6
72.29833	0.4
72.99292	2.2
73.02943	4.0
75.00874	4.6
83.01384	1.5
83.51646	0.5
85.02943	4.1
85.59904	0.4
87.00867	1.9
87.98628	0.5
89.02462	2.6
91.71014	0.4
94.69919	0.4
95.01395	0.9
96.95978	1.3
97.02998	0.4
99.00858	1.0
99.11452	0.4
101.02431	6.4
106.90048	0.5
107.05003	0.6
111.00866	0.8
113.02422	2.8
115.00365	9.2
116.92854	0.6
119.03512	0.8
125.02425	2.0
133.01428	3.1
134.03729	0.7
135.04488	2.3
143.03508	0.9
146.89633	0.5
153.09253	0.5
161.04654	0.6
179.03471	1.7
187.02473	1.3
191.05695	0.6
197.15427	1.2
201.09143	0.6
215.16499	18.4
216.16789	0.8
305.21127	0.7
331.25174	0.6
359.16376	0.5
359.20575	2.1
375.27457	0.5
376.27850	0.6
377.21765	100.0
378.22113	6.5
405.38919	0.5
433.22650	1.2
449.24210	2.1
475.29266	0.5
493.16699	1.1
493.23706	6.9
493.30234	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	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96236	0.6
59.01383	3.6
61.98825	6.5
62.86693	0.6
71.01374	3.7
71.18105	1.3
71.41001	0.6
73.72782	0.7
78.95898	10.6
96.96008	1.5
99.69891	0.8
113.09745	1.9
115.00357	0.8
133.01451	1.2
139.07648	1.1
140.01170	2.9
148.05295	6.4
149.05635	2.8
152.99612	1.6
163.07640	5.0
164.07957	2.5
190.82367	0.9
195.13898	18.0
196.03830	1.8
196.14183	0.8
197.65623	0.7
207.64413	0.6
209.11925	0.8
214.04869	4.5
277.21689	13.3
278.22021	1.0
295.22766	100.0
296.23071	6.4
339.91064	0.7
367.88364	0.8
377.27023	2.8
492.27283	35.5
493.27603	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24109	0.7
57.03436	2.6
59.01379	39.2
61.52244	0.7
61.98829	2.0
71.01377	21.3
71.50948	0.9
72.99305	5.6
73.02945	3.1
75.00869	6.9
75.44406	0.7
81.03464	1.0
83.01381	1.4
85.02948	12.0
87.00869	5.8
89.02435	6.0
93.03456	4.5
95.01418	1.7
96.96001	6.5
97.02901	0.9
99.00864	7.3
99.04511	3.2
101.02446	6.1
103.00372	1.8
105.01929	6.4
106.75263	0.7
111.00845	1.0
113.02444	12.3
115.00353	8.7
115.04026	1.5
117.01885	1.2
119.03474	2.9
120.99635	1.9
125.02440	18.9
126.93430	0.8
129.01923	4.1
133.01404	11.5
133.02959	0.9
135.04523	1.2
137.02406	3.9
137.09698	2.1
139.11273	12.0
143.03435	1.7
145.01407	4.2
150.03278	0.9
151.00362	0.8
155.10767	14.7
156.03604	0.7
161.04578	2.3
165.05511	0.8
175.02438	0.9
177.04051	2.7
179.05597	1.3
181.12341	5.0
183.10226	10.7
187.02452	9.2
191.05646	2.2
193.05037	1.0
199.09720	6.7
225.11337	2.9
232.43332	0.8
241.10846	1.1
243.12370	3.2
249.06174	4.1
269.10370	1.2
271.19171	1.2
297.11685	0.7
317.15909	1.8
329.12454	1.2
359.13412	7.8
377.14536	14.4
377.18713	0.9
418.08008	0.8
431.19348	2.2
433.17035	3.1
433.24347	11.1
475.18167	3.4
493.19205	100.0
494.19604	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	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01376	3.5
61.98818	1.0
66.19755	0.2
68.14246	0.2
69.03444	0.3
69.58845	1.4
71.01375	7.8
71.05013	0.2
72.99300	0.6
73.02930	0.4
75.00833	0.2
85.02946	0.4
87.00846	0.2
87.04489	0.5
89.02467	0.3
96.48010	0.2
96.95983	0.6
97.06579	0.6
99.92570	0.9
101.02439	0.4
109.06572	0.5
111.08194	0.2
113.02440	0.3
115.00368	8.7
115.92055	0.9
116.90001	0.2
116.92844	4.2
117.92877	0.3
119.17210	0.2
123.08150	0.8
127.07616	0.2
127.11278	0.3
133.01401	2.2
135.04446	0.4
135.08176	0.3
137.09778	0.3
139.11284	0.5
141.12843	0.5
153.09195	0.4
155.10803	0.2
157.12311	1.1
169.12344	0.4
172.03227	0.2
179.03500	0.4
185.11803	1.4
206.05794	0.3
209.11900	0.2
215.12930	0.5
216.04112	0.3
297.24371	0.3
299.22321	0.6
311.22238	0.4
327.25418	0.4
329.23309	1.8
339.25409	0.4
345.26447	4.8
346.26782	0.5
357.13544	0.3
357.26382	2.2
363.68323	0.2
373.25919	1.4
374.26276	0.4
375.27472	100.0
376.27823	7.2
459.98343	0.2
473.27649	0.3
491.03284	0.3
491.28476	5.1
492.29065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72540	0.8
59.01377	100.0
61.98826	5.7
68.86440	0.9
69.46792	2.6
69.47202	3.4
70.72030	1.0
71.01378	34.3
72.99274	0.9
73.02949	8.0
83.01405	2.2
85.02943	13.4
87.00877	2.4
88.98795	6.7
89.02440	18.6
95.01378	2.8
96.96025	2.1
98.20683	1.6
99.00876	2.7
99.22038	0.9
101.02438	19.9
113.02443	14.8
115.00362	4.2
119.03508	6.4
125.02435	1.5
133.01399	7.6
135.04500	5.3
137.02428	1.2
143.03523	2.5
149.06046	1.5
155.86015	0.9
156.48619	0.9
159.03012	1.8
161.02429	1.2
161.04539	12.9
171.88406	0.8
179.03481	1.8
179.05589	5.4
189.07658	1.1
269.17596	3.7
295.28586	1.2
431.22803	90.4
432.23160	8.4
457.58588	0.9
475.21521	1.6
491.17178	1.6
491.24808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55392	1.5
57.03980	1.4
59.01382	21.7
61.98828	13.8
69.03457	2.1
69.47263	9.8
71.01360	7.1
96.96022	1.8
115.00349	2.8
133.01422	2.0
133.02953	1.5
134.03755	1.9
135.04514	2.3
158.23009	1.3
178.02736	2.2
179.03458	1.3
215.07047	1.4
257.60382	1.3
258.99084	1.5
287.19955	2.4
357.23630	1.7
359.25906	11.8
387.25320	34.0
388.25650	3.2
405.26419	100.0
406.26727	9.9
429.07306	1.5
447.27527	49.0
448.27798	5.7
491.26447	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01376	3.5
61.98818	1.0
66.19755	0.2
68.14246	0.2
69.03444	0.3
69.58845	1.4
71.01375	7.8
71.05013	0.2
72.99300	0.6
73.02930	0.4
75.00833	0.2
85.02946	0.4
87.00846	0.2
87.04489	0.5
89.02467	0.3
96.48010	0.2
96.95983	0.6
97.06579	0.6
99.92570	0.9
101.02439	0.4
109.06572	0.5
111.08194	0.2
113.02440	0.3
115.00368	8.7
115.92055	0.9
116.90001	0.2
116.92844	4.2
117.92877	0.3
119.17210	0.2
123.08150	0.8
127.07616	0.2
127.11278	0.3
133.01401	2.2
135.04446	0.4
135.08176	0.3
137.09778	0.3
139.11284	0.5
141.12843	0.5
153.09195	0.4
155.10803	0.2
157.12311	1.1
169.12344	0.4
172.03227	0.2
179.03500	0.4
185.11803	1.4
206.05794	0.3
209.11900	0.2
215.12930	0.5
216.04112	0.3
297.24371	0.3
299.22321	0.6
311.22238	0.4
327.25418	0.4
329.23309	1.8
339.25409	0.4
345.26447	4.8
346.26782	0.5
357.13544	0.3
357.26382	2.2
363.68323	0.2
373.25919	1.4
374.26276	0.4
375.27472	100.0
376.27823	7.2
459.98343	0.2
473.27649	0.3
491.03284	0.3
491.28476	5.1
492.29065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40614	0.8
55.01873	2.0
57.03433	2.3
59.01376	63.7
61.98835	7.4
69.03469	0.9
70.12247	0.7
71.01377	42.8
72.01718	1.1
72.83296	0.6
72.99301	2.7
73.02944	12.9
75.00870	1.8
83.01392	5.7
85.02941	17.0
87.00880	4.0
88.98802	5.4
89.02441	15.3
89.02969	0.5
95.01379	3.4
96.96021	1.6
97.02953	1.5
99.00867	2.8
101.02435	31.0
105.01936	8.9
105.03031	0.9
109.03034	1.0
113.02446	17.1
114.02764	0.9
114.99625	1.3
115.00341	7.2
116.92781	0.9
119.03481	5.4
121.05920	0.8
122.06055	1.1
125.02448	1.2
133.01410	9.8
135.04538	2.3
137.02397	1.8
143.03543	1.9
147.04544	1.1
149.04570	0.8
150.03241	1.3
152.07202	2.4
159.02991	1.8
161.04538	19.2
173.00783	1.0
178.02457	0.9
179.03339	1.4
179.05653	4.5
192.06644	1.6
231.13823	1.7
243.12201	0.8
251.16537	1.0
269.17538	7.1
297.05908	0.8
309.94107	0.7
313.10675	1.5
356.91476	0.8
356.99631	0.7
357.14438	3.4
375.10574	1.1
401.18045	7.2
427.82864	0.8
431.22821	100.0
432.23096	7.0
491.16562	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03451	1.5
58.00608	1.6
59.01377	100.0
60.01697	1.2
61.98597	0.8
61.98830	9.4
71.01378	50.4
71.08748	1.4
72.99312	4.1
73.02946	4.7
75.00861	3.2
83.01378	2.3
85.02948	14.7
87.00873	4.8
88.98818	4.4
89.02439	58.2
89.05904	0.8
95.01400	4.2
96.96002	1.9
99.00858	2.7
101.02435	28.0
101.03102	1.4
105.01919	1.1
109.02836	0.9
113.02446	25.4
115.00381	6.5
116.92875	1.3
119.03491	27.6
125.02460	1.1
128.03543	1.0
131.03484	4.8
133.01405	6.1
133.02950	1.0
135.04492	1.6
137.02415	1.3
137.09755	1.4
143.03539	8.0
143.04564	1.2
149.04547	1.8
152.07135	2.3
159.03099	1.2
161.04547	13.8
165.05504	1.3
171.10022	0.8
175.02428	1.3
179.05605	39.1
179.10796	1.1
180.06003	1.4
181.08617	1.1
186.79018	0.8
187.82097	0.9
192.06689	1.5
221.15358	1.0
249.06111	2.0
267.07172	2.2
269.17578	1.6
291.72632	0.8
308.71298	0.8
332.74118	1.0
357.14716	2.5
401.18210	2.6
411.12881	1.0
429.17386	1.0
431.22794	34.7
432.23193	2.7
473.16312	1.3
491.17615	33.6
492.18521	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53217	0.8
53.00742	0.8
54.67379	0.7
55.01859	2.0
57.03447	1.7
57.56861	0.8
58.00583	1.9
59.01376	100.0
60.99291	1.0
61.98822	7.8
69.49786	5.7
71.01378	49.0
72.99303	3.3
73.02924	4.6
75.00865	3.6
83.01392	2.4
85.02942	13.7
87.00867	5.4
88.98798	4.6
89.02441	53.4
93.03443	0.8
95.01378	3.6
96.95996	0.9
98.19974	1.6
99.00872	4.0
99.04542	1.2
101.02432	26.3
111.00863	0.9
113.02443	26.0
115.00366	6.5
115.92108	1.0
116.92842	1.6
117.01971	1.0
119.03500	20.8
122.06119	1.4
125.02380	1.0
128.03506	1.1
131.03491	3.1
132.04567	0.8
133.01436	7.5
133.02972	1.3
134.06071	1.0
135.04477	1.3
137.02457	1.4
137.09738	1.3
143.03485	7.0
143.04539	1.5
146.07596	0.8
149.04529	2.5
152.07182	3.6
161.04535	12.0
179.05598	34.7
179.10786	1.1
181.08701	1.0
192.06746	1.0
192.61929	0.9
234.91400	0.8
249.06192	1.8
251.16614	1.3
267.07150	3.5
269.17502	1.8
313.10867	1.2
327.13391	1.9
341.19550	1.0
354.02264	0.8
357.14548	3.6
401.18240	1.7
431.22827	35.4
432.23074	2.5
473.16415	1.8
491.17599	28.4
492.18533	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20816	0.9
55.01860	2.7
57.03451	1.2
58.00569	0.8
59.01376	58.5
61.50706	1.0
61.98823	3.3
64.04281	0.9
69.66358	5.0
71.01376	40.2
72.99292	2.2
73.02940	11.4
83.01374	4.9
85.02946	16.1
87.00861	2.7
89.02442	19.7
90.95869	0.8
95.01361	2.9
98.19962	1.4
99.00873	3.2
101.02436	30.3
101.03102	1.6
105.01925	1.3
113.02460	17.1
113.29453	0.9
115.00342	2.2
119.03482	8.0
125.02503	1.0
133.01373	4.7
135.04472	1.7
143.03456	3.0
159.02950	2.9
161.04532	18.3
163.04047	1.0
179.05560	5.3
216.44023	0.8
249.14940	1.8
251.16620	1.4
269.17532	3.3
301.82364	1.1
314.66177	1.0
322.15338	1.0
324.18979	1.0
329.19666	1.2
348.47882	0.9
375.16428	1.3
431.22784	100.0
432.23111	7.3
474.60675	1.0
484.14865	0.9
491.17792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54143	0.8
51.76336	0.7
54.45476	0.7
55.01871	2.7
57.03449	1.9
58.00586	1.2
59.01376	100.0
59.61889	0.6
60.99309	0.8
61.05703	0.8
61.98823	12.3
63.10527	0.7
69.64938	3.4
70.36813	0.6
71.01379	37.7
72.99298	2.0
73.02940	12.6
75.00886	1.7
83.01388	7.7
85.02946	16.8
87.00868	3.7
88.98798	2.9
89.02441	14.1
89.02948	1.1
95.01390	3.9
96.96005	2.3
97.02988	0.9
99.00852	4.2
101.02437	37.7
111.34623	0.8
113.02447	15.0
115.00381	4.0
119.03503	5.1
120.01228	1.9
125.02377	1.2
128.03548	2.3
131.03572	0.9
133.01416	5.2
133.02975	1.2
133.05347	1.2
135.04530	3.4
143.03503	3.8
149.04588	1.4
159.02979	3.2
161.02446	1.4
161.04544	23.8
161.05896	1.2
167.03519	1.2
177.02081	0.8
179.03456	1.4
179.05637	3.5
251.16525	1.2
269.17557	9.3
311.11179	2.0
313.16565	1.9
329.12357	1.2
343.93524	0.8
361.50305	0.7
409.75974	0.7
431.22809	98.6
432.23175	7.5
491.13675	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82627	0.6
53.84988	0.6
55.01867	1.6
57.03424	1.4
59.01378	43.9
61.98823	2.4
67.50581	0.6
69.03450	0.8
71.01380	35.7
71.66004	0.6
72.01736	0.9
72.99305	2.7
73.02939	12.3
75.00874	0.9
83.01377	3.9
83.05064	0.7
85.02949	8.3
85.06578	3.3
87.00890	3.6
88.98802	0.9
89.02428	5.9
93.29337	0.7
95.01398	1.5
96.96011	3.0
99.00867	3.6
99.92585	6.4
101.02438	15.6
113.02443	9.5
113.09716	1.1
115.00356	8.5
115.92091	4.6
116.92854	26.1
119.03517	3.2
119.05098	0.6
121.02943	2.7
125.02441	2.4
133.01414	7.6
133.02950	1.8
133.29175	0.6
134.03690	0.9
135.04466	1.4
155.14417	8.8
161.04520	1.9
169.93098	0.7
170.93872	1.2
177.01949	1.0
178.02707	1.4
179.03516	1.2
181.15945	2.9
184.27907	0.9
187.02493	1.2
187.03987	0.9
190.40025	0.6
191.05659	0.7
199.13373	18.1
209.11844	4.3
214.92946	1.1
225.14925	4.5
241.00241	0.8
283.13437	2.8
287.22351	2.5
299.16641	1.1
303.13660	0.6
309.14969	0.8
327.16074	1.4
328.69174	0.7
329.06839	0.8
333.05951	0.8
345.16818	0.8
373.26147	0.8
375.26450	1.1
377.19629	0.8
387.20132	7.5
388.20844	0.7
405.21271	20.6
405.26410	1.5
406.21533	1.3
429.25140	0.7
431.26257	2.1
447.22327	100.0
448.22641	9.5
449.27249	3.4
491.02670	1.4
491.20319	1.3
491.28250	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	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18098	1.0
50.22039	1.2
57.03435	2.1
58.00594	1.7
59.01377	50.4
61.98818	3.2
62.27049	0.9
71.01377	51.4
72.01723	1.1
72.99305	3.9
73.02944	28.5
83.01385	7.3
85.02968	4.8
87.00893	2.8
89.02435	9.3
95.01357	1.5
96.96014	4.8
97.02931	1.0
99.00848	1.2
99.92606	7.7
101.02435	24.8
113.02438	7.8
115.00375	8.7
115.92063	7.1
116.92856	39.1
117.92872	2.4
119.03506	3.0
119.05038	2.9
120.99680	2.5
125.02438	1.1
131.03523	1.8
133.01413	5.8
134.03799	1.4
135.04523	2.8
137.84883	1.0
143.03427	1.8
149.02440	1.0
149.04480	1.2
153.12805	3.8
161.04576	3.2
161.06015	1.0
163.03889	1.1
170.93849	1.5
178.02596	1.4
199.13393	6.3
214.92880	2.3
225.14864	1.8
229.44934	1.1
269.50433	1.0
270.01804	1.0
271.02631	1.1
277.01889	1.3
285.03937	1.2
299.02112	1.8
313.03442	3.9
328.05954	3.4
329.06552	7.0
373.25629	1.7
374.26227	1.1
375.01694	1.1
375.27432	28.5
376.27734	1.5
387.20126	4.0
405.21274	9.7
447.22321	100.0
448.22653	6.4
491.02777	1.7
491.11456	1.8
491.27588	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19619	0.2
55.01872	0.6
57.03428	0.7
58.00587	0.5
59.01377	33.0
60.01695	0.4
60.17212	0.3
61.98821	2.3
67.02612	0.3
68.02365	0.3
69.03442	0.3
71.01379	21.5
71.51993	0.4
72.99292	1.6
73.02957	2.4
74.02471	0.3
75.00870	1.6
83.01383	1.9
83.05010	0.4
85.02947	4.9
86.00107	0.3
87.00882	1.2
87.04535	0.3
89.02438	2.6
89.62534	0.3
95.01369	1.2
96.95988	1.1
97.06551	0.5
98.02483	0.6
99.00871	1.5
101.01803	0.4
101.02441	5.1
109.06555	0.3
111.00899	0.6
112.01692	0.3
113.02447	4.3
114.99564	0.5
115.00371	9.9
115.04010	0.4
115.92095	0.5
116.92846	1.0
119.03489	0.9
120.01291	0.3
120.99622	1.0
122.06089	0.5
123.08058	0.4
125.02454	0.7
129.01900	0.3
130.08719	0.4
133.00475	0.4
133.01421	5.2
133.02945	0.4
135.04500	0.9
135.19698	0.2
143.04570	0.3
146.03694	0.6
147.04547	0.3
152.07127	0.8
153.12816	1.0
159.03079	0.3
160.05260	0.3
161.04726	0.5
161.06049	2.5
167.14400	0.7
175.02542	0.3
177.01901	0.3
178.02730	0.3
179.03493	1.0
195.10191	1.1
195.13876	0.8
205.05075	0.4
206.05824	0.8
213.14943	12.8
214.15302	0.5
216.04071	0.4
241.05070	0.3
241.14413	3.4
249.06128	1.1
255.15918	0.5
267.07266	0.6
282.09518	0.3
287.16714	0.3
294.09506	0.3
303.12341	0.9
311.22134	0.4
331.25317	0.3
357.19131	3.1
371.20651	0.8
375.20190	100.0
376.11234	0.4
376.20532	6.5
389.21619	0.5
431.22467	0.3
431.27469	0.4
447.17526	0.9
448.28793	0.3
456.21246	0.9
491.14731	0.6
491.21359	9.9
491.28558	4.6
492.21640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
60.99307	13.2
61.06785	0.6
70.08792	1.5
71.01381	4.2
71.52465	0.5
73.36403	0.5
79.38294	0.5
85.02915	0.9
85.55762	0.6
87.00882	0.8
88.00402	1.0
88.98802	100.0
89.02442	10.2
96.96066	0.7
101.02442	1.8
102.50025	0.5
113.02434	1.7
115.00364	1.9
119.03455	1.1
128.03551	2.7
130.08760	0.7
133.01396	1.8
134.03687	0.7
139.90836	0.5
147.84988	0.5
161.02460	0.8
161.04527	1.2
179.05655	1.2
209.09976	0.6
295.42758	0.6
311.11261	0.7
329.12363	0.8
405.80771	0.6
431.22961	2.5
491.22064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63353	1.0
55.01858	3.2
57.02670	1.0
57.03439	2.9
57.48022	1.0
58.00571	2.2
59.01376	45.4
60.99305	3.8
61.98816	3.5
62.97354	1.3
65.64336	1.0
69.03440	1.2
71.01376	57.3
71.51472	1.6
72.16105	1.0
72.99300	3.0
73.02949	15.6
83.01380	8.7
85.02468	1.5
85.02950	23.8
85.77083	1.0
87.00871	4.2
88.98802	36.3
89.01929	1.9
89.02442	19.0
89.09090	1.0
95.01376	4.4
96.00891	1.2
96.95979	2.3
97.02901	1.5
99.00874	8.2
101.02438	42.8
109.02953	1.4
113.02444	20.7
115.00357	6.1
119.03514	5.8
120.01234	5.2
121.02934	1.9
125.02419	1.6
128.03545	1.6
129.01799	1.3
131.03578	1.1
133.01431	6.8
135.04474	3.8
136.07700	1.4
137.02403	2.1
139.00362	1.3
143.03506	2.9
159.02960	5.7
161.02432	1.7
161.04561	24.1
163.03983	2.3
179.05615	4.0
263.07657	1.4
269.10352	24.2
270.10556	1.5
287.09174	1.4
370.17096	2.0
431.15552	100.0
431.22437	8.7
432.16092	6.7
491.13678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.1
57.93618	0.7
58.00572	0.7
59.01378	22.6
61.98829	4.3
71.01379	19.5
71.05011	1.4
71.51870	0.9
72.99303	2.3
73.02945	3.0
75.00883	0.7
83.01392	1.3
83.05024	1.6
85.02946	2.7
87.00884	2.2
88.34045	0.8
89.02441	1.6
95.01328	0.8
95.05032	0.6
96.96024	4.0
97.06576	1.4
99.08155	1.7
101.02438	1.8
111.08215	0.8
113.02459	1.7
115.00362	17.3
116.00676	1.0
123.08158	0.9
125.02425	0.7
127.11299	1.1
133.01407	9.5
133.02936	1.4
134.01714	1.0
134.03749	0.9
135.01889	1.3
135.04485	2.3
137.02411	0.9
138.06834	0.9
139.11346	1.4
141.12823	1.7
151.11316	0.8
155.14514	0.7
171.10275	0.9
177.12796	1.2
178.02716	0.9
179.03497	1.5
185.11824	2.8
187.07675	1.6
189.09319	0.8
209.11768	1.2
211.20631	1.8
215.06787	1.0
223.20593	0.8
231.10149	1.3
257.17691	0.8
269.21182	1.4
275.09470	1.1
285.20721	5.8
295.18845	0.8
297.20688	2.9
299.16626	1.3
311.16309	1.2
315.21716	100.0
316.22073	6.1
317.55936	0.7
327.21536	0.8
329.17645	2.0
352.66196	0.7
355.25000	5.6
373.16122	3.1
373.25906	73.9
374.26227	5.1
489.18494	1.6
489.27136	6.8
489.34100	3.3
510.30804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.172
Annotation	Demethylalangiside
Peak:m/z	Relative Intensity
51.41373	0.5
59.01376	10.2
60.01690	0.6
61.98821	3.9
69.78414	2.8
71.01380	5.8
72.99297	0.7
73.02940	1.1
74.02480	0.8
81.40063	0.5
84.00870	0.5
85.02954	1.4
87.00886	0.9
88.98794	1.2
89.02451	2.4
93.03455	3.2
96.95993	1.2
99.00876	0.9
101.02451	1.8
102.05575	0.5
105.01959	0.9
109.02908	0.7
113.02455	1.0
115.00365	3.7
116.00646	0.4
117.03455	1.5
119.03498	1.0
119.05031	0.6
121.02980	0.9
121.12631	0.4
124.06482	0.4
128.03516	1.3
130.08708	0.6
132.02190	1.5
133.01447	6.9
133.03004	5.4
133.05324	48.7
134.01723	0.5
134.03741	12.2
134.06029	2.1
135.04518	9.9
137.02428	0.6
145.02966	1.8
146.03299	1.1
148.05269	1.2
149.06067	8.2
150.06436	0.8
160.01678	7.4
160.03967	3.4
161.02429	90.6
162.02763	4.0
163.03992	0.6
164.04243	0.6
175.02538	0.7
175.03972	8.8
176.04324	0.7
179.05527	0.9
190.05045	0.7
212.09271	1.1
234.07686	2.0
251.07323	0.6
252.07880	6.7
267.10458	0.6
295.08453	16.2
296.08887	1.0
310.10818	100.0
311.11139	6.8
328.11862	82.9
329.12201	6.4
430.21619	1.6
431.22739	2.6
490.16391	3.2
490.22964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03437	0.7
59.01376	12.4
59.39904	0.4
61.98813	1.0
62.27050	0.4
70.57672	0.4
71.01376	22.7
72.99297	0.7
73.02942	4.4
83.01383	2.3
85.02943	5.0
86.00105	0.8
87.00882	1.0
89.00948	0.4
89.02437	3.5
93.03443	0.5
95.01374	1.1
96.96023	0.6
98.19888	1.2
99.00876	1.5
101.02437	13.6
111.00790	0.5
113.02453	4.5
115.00362	11.6
117.49693	0.5
119.03486	1.5
133.01411	3.6
135.04526	0.5
161.04535	0.6
191.05730	0.5
193.12273	0.6
211.13408	0.8
245.15903	0.4
261.05450	0.7
340.44199	0.5
368.06000	0.5
373.18634	100.0
374.19025	6.2
489.19965	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15961	0.3
57.03451	0.3
59.01376	100.0
60.01712	0.6
61.71880	0.4
61.98832	0.8
69.72741	1.2
69.73161	0.6
71.01381	5.9
72.99295	0.5
73.02952	0.8
75.00885	1.2
79.95734	0.6
83.01394	0.4
85.02929	0.7
87.00841	0.5
89.02458	1.3
96.96008	14.1
101.02440	1.5
104.58854	0.3
105.03418	0.3
113.02451	0.7
115.00365	4.9
119.03585	0.4
120.01271	1.1
128.03569	0.6
130.08730	0.5
133.01422	5.8
133.02985	1.0
134.01703	0.4
134.03732	0.6
135.04491	2.5
148.05347	0.4
149.02499	0.4
155.08232	0.4
161.02408	0.6
161.04584	0.5
175.03995	0.4
177.01878	2.0
178.02725	0.4
179.03493	1.7
187.07678	0.4
227.06880	0.6
261.05435	0.8
284.03326	1.3
285.04065	1.2
312.12390	0.9
323.11523	0.5
337.55136	0.3
369.09778	0.5
373.18576	2.3
387.20276	0.6
429.21332	1.1
489.10593	1.5
489.20486	1.5
490.30713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46603	0.4
57.03441	3.1
59.01375	36.1
69.37090	1.3
69.37515	2.1
71.01387	5.8
73.02948	2.2
79.05519	1.8
81.03435	1.2
83.01339	0.6
83.05035	0.9
89.02446	0.8
95.05019	5.2
96.96025	0.5
98.14018	0.4
98.20677	1.0
99.00861	0.6
101.02439	1.8
101.68645	0.5
103.51260	0.4
109.02979	0.4
109.06602	0.7
113.02436	0.5
115.00370	4.3
119.08696	0.5
121.06605	1.6
123.04539	2.4
130.08754	0.5
133.01425	6.0
133.02908	0.6
134.03671	0.6
135.04504	3.5
135.08177	1.2
136.04857	0.9
137.09700	1.5
149.09732	0.8
151.11276	2.1
159.04446	0.7
159.08124	1.8
161.04578	0.5
161.09708	28.2
162.10069	1.5
164.08397	4.6
177.09230	0.8
179.03520	2.7
179.10760	100.0
180.03833	0.8
180.11078	3.3
187.11287	0.7
190.10008	1.3
193.11487	0.4
203.05649	0.7
205.12321	8.9
213.17516	0.5
223.11212	0.7
223.13348	4.1
229.01361	0.7
231.89020	0.4
234.76021	0.5
264.04211	0.4
283.06293	0.5
313.10797	0.6
339.08643	0.5
354.20355	1.0
383.17059	3.7
384.08185	0.5
393.19376	0.5
469.22836	0.7
487.22833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.3
58.00564	0.5
58.84926	0.4
59.01376	100.0
60.01720	0.5
61.98826	5.0
69.03429	0.6
71.01379	10.8
71.51378	0.7
72.01776	0.5
72.99310	1.0
73.02934	2.8
74.02454	0.6
75.00854	1.1
83.01395	1.2
85.02952	1.5
87.00887	0.9
89.02424	1.2
95.05041	0.4
96.96011	1.7
97.06563	0.5
99.00886	0.5
101.02451	2.7
102.05614	0.7
113.02446	1.8
113.06063	3.0
115.00355	5.7
119.05003	0.9
120.44136	0.5
121.02939	0.6
125.02457	0.7
128.03535	0.8
133.01428	9.0
133.02956	0.6
134.01778	0.7
135.04517	5.8
135.08183	0.5
136.04863	1.8
137.02373	0.6
137.09700	1.7
139.07564	0.7
143.03429	0.5
147.04515	0.6
151.07632	1.0
153.09203	5.3
159.04510	0.5
161.04536	1.2
161.09872	0.6
163.03961	0.9
163.11247	1.4
164.69167	0.5
165.09207	6.6
175.07608	0.7
177.01874	0.5
179.03499	6.1
179.10701	0.7
180.03851	1.8
180.99574	0.6
187.11276	1.5
191.05585	4.8
203.05595	2.1
203.14397	0.4
205.12321	4.4
213.32857	0.6
223.13371	38.0
224.13634	2.1
251.12920	0.5
265.14380	1.8
269.04547	0.7
281.04178	0.6
297.07458	0.6
303.53802	0.4
324.05957	0.8
327.08832	1.0
383.07593	3.1
384.07913	2.8
385.08194	1.0
427.20435	1.1
451.32687	1.1
473.13052	1.5
474.13266	1.2
487.30527	70.5
488.30899	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
66.28761	0.9
69.35397	3.5
69.35818	2.7
73.02949	3.0
87.91837	0.7
94.70013	0.8
99.00829	1.9
101.02437	50.1
129.12029	0.8
145.01414	100.0
145.06209	2.5
146.01749	2.2
146.04559	2.4
173.57813	0.7
240.79089	1.0
279.19196	0.8
335.88666	0.8
494.10117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01376	1.3
67.34837	0.8
71.01382	5.0
71.50375	1.3
73.02948	2.2
83.01392	1.1
87.00887	0.8
89.02425	0.9
99.00868	1.8
101.02437	50.7
102.05609	2.7
115.00369	7.3
128.03503	1.5
133.00482	1.1
133.01430	18.8
135.04520	4.4
138.48911	0.7
145.01422	100.0
145.06152	4.9
146.01727	2.3
146.04607	5.0
179.03516	5.4
187.86179	0.9
203.97896	0.9
343.11420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36001	1.1
59.01071	1.6
59.01374	30.3
61.98822	3.0
67.31303	1.3
70.69440	1.0
71.01376	38.6
71.27564	1.7
71.27919	1.7
86.53719	1.0
87.00869	100.0
115.00361	29.2
133.01404	11.5
133.02901	1.5
135.04507	4.3
149.00223	1.1
158.03737	3.6
159.04509	6.3
171.04469	4.8
172.05290	8.6
173.06050	4.1
174.06848	10.0
177.01889	4.4
179.03520	9.2
182.03699	5.7
185.06065	2.0
186.06845	28.8
187.07639	18.1
199.04015	1.2
200.04742	10.5
200.08333	1.4
201.05551	16.7
201.09256	11.0
202.06087	1.4
211.07605	15.9
212.08269	2.4
213.09259	1.5
214.06346	61.7
215.07083	39.8
229.08672	48.7
230.09398	12.7
274.08456	12.5
280.91953	1.1
283.13303	2.6
309.14917	8.5
311.12888	16.0
327.15881	5.3
347.24203	1.3
371.14917	37.5
371.24448	8.5
372.15286	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01376	9.6
61.98809	2.8
71.01370	7.1
78.95901	21.6
80.02678	2.4
81.03452	2.0
83.05017	7.1
84.02169	1.6
88.04044	0.7
89.02448	1.6
93.03455	0.6
95.05012	0.7
96.96004	1.4
96.96973	2.4
101.02450	0.7
113.02412	0.6
115.00366	4.5
115.08075	0.6
125.06095	0.9
132.03052	1.2
133.01436	6.6
135.04504	3.1
135.08145	1.5
146.03683	1.1
147.04517	3.0
152.99574	35.8
161.04590	0.6
163.11270	6.2
165.12859	3.7
171.00647	3.9
179.03380	1.4
179.10764	0.6
181.12267	0.7
191.05666	0.6
191.10849	1.1
201.93283	0.6
205.12065	0.7
209.11812	100.0
209.43948	0.6
210.12126	4.6
223.13420	0.9
227.03256	2.5
227.12854	12.4
237.72559	0.6
245.04176	1.3
253.04929	1.4
265.14438	5.0
268.06940	0.7
283.01614	0.5
297.03882	0.7
327.08612	1.1
363.12085	0.7
371.07605	0.7
383.07782	0.6
395.14465	0.8
438.04471	0.6
455.16824	15.3
455.23282	0.7
456.17239	1.0
487.19476	85.5
488.20029	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	486.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.5
61.98805	5.4
71.01371	29.2
73.02917	1.3
77.38509	1.2
85.02940	1.5
88.03522	2.2
88.04034	26.7
88.98777	1.4
89.02443	2.5
89.22355	1.1
93.03442	1.5
96.95995	2.5
97.63058	1.3
101.02436	2.5
108.02175	2.1
108.11469	1.3
114.01953	14.1
115.00353	37.2
128.03510	2.9
130.08713	1.2
132.03017	100.0
133.01418	11.3
133.03262	1.7
134.03673	1.9
135.04507	10.4
145.02847	1.7
147.04550	5.9
148.05347	7.5
158.00877	3.6
159.04521	1.3
163.07726	1.6
173.04544	1.8
174.03146	2.5
176.04773	3.9
179.03485	9.0
179.10843	1.8
180.04042	1.5
185.06165	1.3
189.05519	1.6
191.05640	2.3
191.07126	8.8
194.05765	1.3
209.06158	1.6
221.06085	2.0
226.99210	1.6
237.05566	4.0
239.07079	6.2
249.05467	2.6
251.07086	4.2
265.05057	1.3
267.06583	32.2
267.09421	1.6
268.07141	3.1
279.06552	13.1
280.07159	2.1
281.04733	1.4
282.08951	22.0
283.09573	3.1
294.08948	9.6
297.11304	21.4
304.49142	1.4
308.06772	2.0
309.07626	2.2
309.11188	2.4
310.07150	4.9
322.07251	4.9
323.08676	6.7
325.09595	4.3
327.12375	2.2
336.59134	1.4
337.09488	3.5
338.10303	4.5
340.11914	2.8
341.10202	9.4
352.11835	8.2
353.10098	14.3
371.11105	6.1
373.22717	1.3
383.07578	4.7
394.12891	2.1
409.12012	1.5
412.13925	4.5
424.13977	7.0
456.12955	31.3
457.13608	2.5
468.12582	5.9
473.12381	2.3
486.13995	93.2
487.14130	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	486.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07812	0.5
61.98823	1.1
63.35333	0.5
71.20682	0.6
71.21017	0.6
77.57087	0.5
88.04035	53.8
90.19381	0.6
90.42621	0.6
147.08121	1.2
149.09709	1.6
161.09708	1.1
163.11272	2.3
177.25296	0.5
187.11269	2.0
280.14642	0.9
309.22229	2.3
322.19528	0.7
337.21698	100.0
338.22021	7.9
382.27557	0.9
425.39673	0.6
440.99484	0.7
486.26828	17.5
487.27261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61159	1.1
67.41345	1.0
71.01379	11.4
72.99306	1.4
77.71697	1.1
87.00871	2.5
89.02431	1.5
92.89587	0.9
101.02442	17.5
115.00366	26.9
119.05036	1.4
133.01424	100.0
134.01671	1.1
135.04510	18.5
145.01422	32.4
145.06133	1.1
146.04524	1.2
179.03485	15.4
191.05627	3.9
295.04556	3.3
395.04846	1.0
434.91266	1.0
454.11298	1.0
470.74603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46555	0.0
55.01872	0.3
57.03442	0.2
58.00603	0.2
59.01375	7.0
61.98832	0.1
69.03453	0.1
70.29042	0.1
71.01377	4.6
72.01700	0.1
72.99307	0.3
73.02942	1.1
75.00899	0.1
81.03439	0.1
83.01392	0.5
83.05026	0.4
85.02943	1.1
87.00875	0.6
89.02440	3.5
91.04021	0.2
95.01379	0.4
97.02940	0.3
97.06597	0.1
98.20007	0.1
99.00874	0.4
101.02439	4.4
102.02737	0.1
103.04005	0.1
113.02449	1.9
115.04009	0.2
119.03503	1.1
125.02419	0.2
127.04018	0.1
131.03487	0.2
133.05051	0.4
135.08148	0.1
135.11804	0.1
143.03461	0.4
145.05055	0.1
149.13438	0.1
157.05046	0.2
161.04550	1.7
161.83569	0.1
171.83974	0.1
175.14867	0.1
177.16440	0.2
179.05585	0.7
203.18063	0.1
205.19609	0.8
231.17537	0.8
235.08235	1.3
236.08490	0.1
247.17015	0.3
249.18570	100.0
250.15134	0.1
250.18900	5.6
253.09258	16.1
254.09593	0.5
458.98331	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	485.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
55.17005	0.1
57.03442	0.2
58.00569	0.1
58.74769	0.1
59.01376	6.1
61.98825	0.2
70.24110	0.2
70.24503	0.2
71.01379	4.6
72.99306	0.3
73.02947	1.0
73.57859	0.1
75.00859	0.3
77.57805	0.1
81.03445	0.1
83.01379	0.4
83.05022	0.4
85.02944	1.1
85.65328	0.1
87.00869	0.7
89.02439	3.7
91.04019	0.1
95.01415	0.2
97.02948	0.2
99.00869	0.4
101.02433	4.4
103.04011	0.2
113.02447	1.9
119.03490	1.0
125.02401	0.3
128.52159	0.1
131.03510	0.2
133.05069	0.3
143.03487	0.4
157.05080	0.2
161.04550	1.8
171.10239	0.2
177.16434	0.3
179.05606	0.7
205.19691	0.7
231.17448	0.6
235.08194	1.4
247.16983	0.3
249.18570	100.0
250.18907	5.6
253.09259	16.7
254.07401	0.1
254.09474	0.5
257.87579	0.1
277.21585	0.2
295.22702	0.7
311.22144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96232	0.9
59.01376	15.3
61.98819	4.4
71.01378	23.6
71.51531	1.2
71.51872	1.2
71.52467	0.8
87.48409	0.9
88.03520	1.8
88.04037	25.0
89.02436	1.3
93.03430	1.2
96.96008	1.2
101.02456	1.8
101.03616	0.9
101.35202	1.0
102.04456	0.9
108.02130	1.4
113.02467	1.8
114.01966	11.9
115.00369	33.1
121.02958	1.9
132.03021	100.0
133.01419	5.4
135.04535	6.3
145.02940	1.3
147.04535	5.6
148.05278	8.8
158.00929	4.1
162.03162	2.0
162.06865	1.7
163.07620	2.0
174.03207	2.3
176.04823	4.5
179.03423	5.5
179.10860	1.5
180.04196	1.1
191.05545	2.1
191.07108	12.3
194.05779	1.3
196.46371	1.0
205.12317	1.3
206.07814	0.9
211.07593	1.2
221.06094	1.4
223.07625	1.4
223.82367	0.9
235.07780	1.3
237.05547	1.8
239.06999	5.0
249.05501	3.3
250.06360	1.5
251.07031	5.1
263.07037	2.2
265.05045	2.3
267.06592	33.6
267.09454	1.7
268.07147	3.6
279.06595	10.7
282.09000	23.0
283.09592	2.9
293.04486	1.5
293.07858	1.8
294.08923	7.7
295.09418	1.1
297.11319	22.7
298.11447	1.6
308.06763	1.9
309.07516	1.0
309.11334	2.2
310.07101	5.0
310.11166	1.7
320.09235	2.0
322.07275	4.8
323.09241	6.4
325.09528	3.7
326.10132	1.3
327.12384	3.7
336.08762	1.6
337.09589	4.1
338.10358	3.7
340.11890	4.7
341.10187	8.1
342.11102	1.3
352.11801	6.9
353.10123	14.6
354.10452	1.7
371.11221	7.1
383.07791	1.6
394.12863	1.8
409.11526	2.2
409.53058	1.1
412.13882	4.1
424.14166	7.8
456.06735	2.0
456.12949	31.8
457.13263	3.7
468.13370	3.6
486.13992	87.1
487.14291	9.2
492.51413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03425	0.7
58.00575	0.6
58.58873	0.6
59.01377	15.2
61.98811	0.8
71.01379	21.2
72.99291	1.0
73.02943	5.7
80.19236	0.6
83.01372	1.4
85.02941	6.3
86.00056	1.2
87.00867	4.0
89.02028	0.7
89.02451	7.8
93.03433	1.3
95.01395	0.7
96.96017	4.0
98.95601	1.1
99.00879	1.5
101.02439	10.3
113.02446	5.7
115.00350	2.4
119.03500	3.2
127.05088	0.9
129.05528	0.8
131.03477	4.2
133.01428	5.0
135.04550	3.1
145.07697	0.9
159.02963	1.1
160.06396	4.5
161.04549	5.5
161.07198	48.7
162.07527	2.1
175.08745	19.1
175.10173	1.3
176.04817	0.7
176.09084	0.9
179.03481	2.4
179.05603	1.5
187.08751	2.4
189.06671	71.0
190.06970	2.4
191.05627	3.2
201.10379	0.8
203.08250	16.2
221.06633	5.7
227.74515	0.7
229.09795	2.0
272.83194	0.7
277.11896	0.7
305.11386	8.9
323.12531	1.8
405.42880	0.7
467.16577	2.5
485.17712	100.0
486.18137	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	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01376	100.0
60.01704	1.0
61.98803	4.0
65.08064	0.9
65.93376	0.9
71.01377	28.5
71.43861	1.5
73.02940	3.3
78.95910	1.3
79.86781	1.0
83.01372	1.3
83.05053	0.9
85.02939	6.7
87.00882	1.5
89.02446	3.0
90.45616	1.2
96.95986	1.3
97.06579	2.7
101.02425	4.2
109.06606	1.9
113.02436	3.3
113.09710	1.0
115.00357	11.6
123.08191	3.6
133.01469	8.0
133.02945	3.3
134.03708	2.8
135.04497	1.6
137.02406	2.5
138.06841	1.0
152.08441	2.0
155.10722	1.2
161.04492	1.9
167.10727	1.3
177.01927	2.9
178.02708	3.4
179.03413	3.5
199.07587	1.3
201.11263	1.4
209.11801	2.1
211.13368	1.3
214.11981	1.0
227.07079	1.9
249.18629	1.1
263.16397	1.3
263.19937	1.3
289.21735	1.5
325.14536	4.8
325.23730	3.1
342.34207	0.9
369.13245	4.0
369.22739	39.6
370.23096	3.6
399.23929	2.3
485.23767	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	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76506	1.1
56.34948	1.1
59.01376	100.0
61.98835	6.2
62.21046	1.4
62.34192	1.1
65.18867	1.2
68.69852	1.3
70.52805	2.7
71.01373	29.5
72.99287	2.6
73.02940	27.8
83.01381	7.2
85.02932	4.5
89.02431	7.2
96.95996	3.0
98.20493	1.5
101.02441	23.8
105.03415	1.5
113.02440	10.4
115.00361	7.3
119.03498	2.9
125.02455	4.2
131.03485	2.0
133.01424	8.8
133.02945	3.8
134.03726	1.9
135.04538	3.3
139.04114	1.2
143.03473	1.6
150.27928	1.3
161.04568	4.7
165.57378	1.2
177.01941	2.8
178.02707	3.3
179.03383	2.1
195.88901	1.4
201.11345	1.4
209.11839	3.5
219.13901	2.1
227.06943	1.8
325.14453	4.2
369.13605	2.3
369.22913	9.6
441.21594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.8
61.89515	1.5
61.98819	4.9
64.87559	1.7
69.37337	3.8
69.37746	8.5
71.01373	21.6
72.99287	3.2
89.02419	2.8
96.96047	2.9
98.20625	3.0
112.00106	1.6
115.00364	48.9
115.92036	1.9
133.01421	67.2
170.08186	1.8
172.08775	1.8
173.06081	7.8
183.82593	1.6
185.06061	26.8
189.05556	38.9
199.07722	2.2
200.08409	34.6
200.10295	2.2
203.03436	7.1
203.07115	5.8
215.07133	5.6
216.07959	2.7
217.04822	1.8
226.06320	3.5
227.07080	3.8
228.07904	52.8
229.08403	4.1
243.06631	4.7
253.12395	2.5
254.05815	6.0
256.14728	2.1
257.08246	1.8
297.14914	3.8
325.14417	100.0
326.14682	6.8
369.13287	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47995	0.3
68.03944	0.3
71.35010	0.6
78.95901	9.1
83.17403	0.3
95.50364	0.3
96.96944	1.1
132.95662	0.3
152.99574	16.6
154.00031	0.3
154.69534	0.3
171.00610	1.4
227.03288	3.4
243.48474	0.3
243.56430	0.3
245.04218	1.5
255.23277	100.0
256.23636	5.6
382.07190	0.3
418.01971	0.3
483.27255	39.3
484.27606	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	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06177	1.2
57.03450	2.8
59.01379	10.2
61.98829	15.8
62.50363	1.1
69.61708	7.3
71.01376	48.2
71.05019	5.2
80.96512	1.5
83.05009	10.4
84.76301	1.5
85.02958	1.4
86.02477	1.4
91.10627	1.1
95.05003	1.8
96.95993	3.1
97.06576	3.2
108.02150	1.4
109.02945	2.2
109.06586	2.5
111.08153	76.0
112.08502	1.3
114.09174	1.4
115.00365	22.5
115.07626	12.3
127.11279	5.6
128.10791	2.0
133.01447	8.2
133.02945	14.2
134.03725	7.4
135.04530	6.0
137.02428	5.1
137.09711	1.4
139.03946	1.9
156.10336	6.1
158.11835	4.4
167.10803	3.2
169.12331	15.1
173.05939	1.8
173.08182	20.5
177.01901	8.3
178.02702	15.2
179.03354	5.4
181.08716	1.8
182.15416	1.4
185.06044	2.2
185.11815	15.2
199.07611	5.9
201.11366	1.7
209.11816	10.2
209.15431	8.9
210.12202	1.4
211.13339	6.9
212.04800	1.7
213.05519	4.5
216.12386	20.3
222.76004	1.2
227.07111	8.7
227.12901	11.4
228.07965	4.6
242.44453	1.1
252.16035	5.0
270.17130	6.2
272.06833	2.3
308.29401	1.5
320.22220	2.0
325.14517	6.4
350.23373	5.5
368.24374	100.0
369.13425	17.8
369.24957	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15250	0.3
61.98809	0.3
71.01378	0.3
78.95899	18.2
88.32182	0.3
96.96941	1.4
97.49440	0.3
98.20773	0.5
133.01407	0.6
133.71712	0.3
142.59183	0.3
150.98036	0.6
152.99571	29.2
164.61540	0.3
171.00636	1.5
227.03267	4.3
245.04247	0.7
253.67560	0.3
255.23260	100.0
256.23621	5.7
308.09555	0.4
391.22617	0.6
483.27252	62.7
484.27609	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	483.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57313	1.9
54.00797	1.8
55.01870	3.6
55.93426	1.6
58.00577	2.0
59.01375	67.9
61.98815	3.3
71.01377	72.5
71.51042	1.7
71.51439	2.1
72.01730	2.0
72.99273	2.2
73.02950	16.0
78.95859	2.3
83.01366	7.3
85.02943	21.7
87.00860	6.1
89.02438	59.7
95.01373	4.8
96.19789	1.5
96.96011	41.2
96.96962	2.7
99.00862	4.8
101.02437	57.4
102.02709	1.9
113.02435	29.5
115.00359	4.2
119.03490	25.5
125.02412	5.6
131.03493	6.3
133.01401	3.6
143.03442	7.6
149.04541	1.9
161.04529	25.0
167.31912	1.7
179.05598	68.5
191.05569	3.1
209.11865	3.1
210.12082	2.3
221.06551	14.7
261.13391	3.3
423.18668	100.0
424.18909	8.1
483.14651	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06804	1.4
58.02975	7.2
59.01376	28.3
61.35927	1.6
61.98829	100.0
63.46196	1.4
67.01904	2.3
69.65089	9.8
71.01376	16.2
72.00889	2.8
72.99293	1.6
73.02936	2.2
73.04064	4.6
73.88744	1.4
79.95739	1.8
85.18375	1.5
85.82471	1.4
87.00852	3.4
89.02438	1.9
91.05550	2.3
93.03455	12.6
94.03795	5.0
96.96010	24.8
97.06609	1.7
98.02463	3.1
101.02436	2.9
105.23353	1.5
111.04495	1.9
115.00365	4.7
115.05113	3.2
123.08135	2.1
125.02435	1.8
129.10332	7.0
133.01434	5.2
133.02942	1.9
134.03754	3.1
135.04585	7.3
138.97108	1.8
147.04520	15.0
152.07144	8.6
155.08229	1.8
164.05884	3.0
164.07158	36.2
168.11401	10.7
169.01299	2.2
173.04573	7.9
174.04823	2.9
175.05057	2.5
177.01965	1.9
179.03485	2.3
181.08736	2.0
186.12466	24.4
199.29613	1.7
209.11754	2.1
210.12451	21.9
211.10851	2.0
228.13510	5.0
233.16566	8.7
241.00214	20.3
277.15640	5.5
290.18634	9.2
332.19711	4.8
367.21350	3.5
376.18753	77.8
377.19061	4.2
420.21393	74.8
421.21609	6.0
483.18286	18.0
503.88528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24015	0.3
52.65739	0.2
55.01891	0.2
57.03448	0.3
59.01374	1.0
61.98822	0.6
62.98670	0.2
69.49838	1.3
71.01369	1.9
78.80977	0.2
78.95897	6.3
79.95725	2.7
85.02947	0.5
87.00898	0.3
89.02443	0.5
90.84284	0.2
96.96005	100.0
96.96916	11.9
97.83905	0.3
99.21506	0.3
101.02444	0.9
113.02479	0.4
115.00359	0.6
119.06705	0.3
133.01443	0.7
135.04462	0.3
143.04488	0.3
154.10402	0.3
161.04497	0.4
191.05640	0.7
201.11334	0.5
209.11838	0.6
210.12222	0.6
211.12466	0.4
221.10022	0.5
222.10355	0.3
268.26575	0.3
303.05310	0.4
321.19144	0.3
483.14365	0.4
483.24814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98979	0.2
58.00581	0.4
59.01377	100.0
60.01715	0.9
61.98835	1.2
69.56989	1.7
71.01380	7.8
72.99313	0.6
73.02943	1.4
79.95743	0.3
83.01390	0.8
85.02938	1.5
89.02444	5.1
89.02951	0.4
95.01406	0.5
96.96001	1.5
98.95614	0.7
101.02431	3.6
113.02451	2.6
115.00365	0.9
115.07668	0.3
119.03496	2.1
133.01448	0.5
134.03729	0.3
135.04567	0.3
143.03526	0.5
161.04588	0.6
178.02776	0.3
179.05711	0.7
209.11803	0.3
218.17421	0.3
308.88464	0.3
347.16901	0.3
481.20065	2.7
481.32236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73751	0.6
57.03444	1.5
59.01376	20.5
60.99304	2.5
61.98827	100.0
67.01892	5.4
68.02241	0.9
69.03456	2.2
71.01378	18.4
71.51472	1.1
73.02943	11.8
74.52891	0.7
78.23463	0.6
78.95908	0.8
81.03461	1.2
83.01389	3.6
83.05019	1.5
85.02957	1.4
86.13490	0.7
87.00858	7.1
87.01325	0.8
88.01209	0.9
89.02455	2.1
92.93593	0.7
93.03450	29.9
94.03779	10.3
95.01421	0.9
96.96016	2.5
99.00893	1.0
101.02439	11.6
101.03102	0.9
109.02885	0.7
111.04504	4.0
112.04874	1.7
113.02431	5.9
115.00388	4.4
119.03484	1.6
121.03022	0.7
125.02476	1.0
129.01982	1.0
131.03500	1.0
131.46188	0.7
133.01428	5.9
133.02898	0.9
134.03729	2.8
135.04533	2.0
143.03535	0.9
149.04538	2.0
152.99641	0.9
155.03517	1.6
161.04539	3.5
171.10315	0.7
173.04538	14.3
173.06036	0.8
174.04922	6.9
178.02676	2.2
179.03294	2.1
185.45667	0.9
221.06604	0.8
251.12909	1.6
276.09879	0.8
349.20212	1.2
365.19818	1.3
366.20001	4.1
367.21320	2.1
449.14752	1.4
450.14786	20.4
451.15225	1.4
482.16815	10.8
483.23431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28286	1.0
76.94126	0.7
78.95895	36.8
95.41444	0.7
96.96936	3.4
152.99570	53.7
171.00621	17.4
185.40877	0.8
226.19138	0.8
227.03204	4.8
245.04279	100.0
246.04576	1.9
253.21692	66.9
254.22121	4.4
385.67926	0.8
481.25656	58.5
482.26093	5.4
496.01025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32212	0.2
55.01876	0.2
57.03453	0.4
59.01376	100.0
60.01715	0.7
60.28600	0.2
60.84621	0.2
61.98823	0.9
69.34932	1.8
71.01379	7.0
72.99339	0.4
73.02943	1.7
80.41235	0.2
83.01395	0.6
85.02937	1.7
87.00922	0.4
89.02439	4.8
89.02942	0.4
95.01392	0.5
96.96015	1.3
97.02917	0.3
98.95609	0.6
101.02440	4.0
113.02436	2.9
115.00352	0.3
115.07706	0.3
119.03512	2.2
133.01424	0.3
135.04549	0.5
137.02359	0.2
142.67877	0.2
143.03503	0.4
152.25276	0.2
161.04619	0.6
174.16524	0.2
176.04440	0.2
177.01962	0.2
178.02678	0.2
179.03387	0.2
179.05649	0.6
300.38873	0.2
427.29764	0.2
481.19702	2.3
481.32040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0807
Annotation	Falconensin A
Peak:m/z	Relative Intensity
50.41940	0.1
59.01368	0.6
61.32438	0.1
61.98819	1.1
69.60161	0.8
71.01374	0.3
75.00900	0.2
79.95731	5.1
96.96004	100.0
97.95917	0.2
101.02449	0.1
109.02972	0.9
110.97585	0.6
115.00385	0.2
136.53995	0.1
149.02351	0.1
152.01079	0.4
153.01926	1.0
156.12883	0.2
160.05246	0.2
163.91243	0.2
167.03427	0.4
181.05156	0.2
182.03848	0.1
188.08144	0.2
191.03423	0.4
206.05818	0.1
210.06865	0.2
226.06274	0.2
254.05792	0.2
259.46976	0.2
267.06516	0.2
269.08069	0.2
282.05246	0.7
283.05872	0.2
297.07690	1.0
312.09991	0.6
327.12646	0.2
337.07166	0.4
339.08362	0.2
341.06671	0.6
352.09326	0.2
353.06494	0.3
356.08917	1.1
357.09564	0.3
368.09079	0.2
371.11426	0.5
383.11465	0.2
401.12103	0.2
443.20111	0.1
481.08035	34.3
482.08340	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0999
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
52.61094	0.5
55.01849	0.6
59.01366	2.3
59.33999	0.5
61.98827	5.3
68.33329	0.5
68.99821	0.9
69.27867	0.5
69.69090	2.0
69.69503	1.2
71.01381	2.9
72.99298	2.1
75.00866	24.5
75.02567	2.2
83.01369	1.0
85.01062	0.7
87.00866	0.8
88.90781	0.5
89.04168	1.2
92.16362	0.6
94.33192	0.6
96.96013	1.1
96.99269	0.6
98.20657	0.7
99.00860	5.0
100.98804	3.3
101.02467	0.7
103.00369	16.3
112.98788	4.7
113.00526	0.8
113.02406	0.6
115.00372	4.1
124.98763	1.3
127.97506	1.1
129.03691	0.6
133.01421	4.8
142.99837	2.6
143.01532	0.7
145.01395	2.6
157.01361	1.7
171.01013	2.1
175.02426	3.7
187.02504	1.0
191.05644	0.8
201.02138	1.7
231.03278	0.7
241.01720	0.7
259.02423	0.7
261.04175	1.2
263.05731	3.6
299.06931	0.6
318.92319	0.5
333.02600	2.0
333.06229	10.1
345.06302	0.9
347.09473	0.9
356.60712	0.6
361.05545	0.7
377.08850	1.0
389.05280	1.9
391.11835	0.6
421.09128	0.8
449.07306	0.8
481.10046	100.0
482.10568	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98079	0.4
57.03436	1.3
57.43759	0.4
59.01373	3.4
60.99298	5.6
61.98829	3.9
65.03958	0.8
67.01889	13.1
69.03450	3.7
69.95911	1.3
71.01369	6.1
73.02942	1.3
75.98492	0.3
78.95914	0.5
81.03461	3.2
83.05033	2.2
83.83101	0.4
85.02956	1.4
87.00869	19.9
93.03452	100.0
94.03793	2.1
96.96013	5.8
97.06573	1.2
97.68503	0.4
99.00865	1.9
99.04520	1.8
101.02427	1.1
109.02937	1.2
111.00871	0.8
111.04514	13.5
113.02448	2.0
115.00388	1.1
115.04009	0.5
129.01958	2.6
133.01404	1.3
133.02931	1.6
134.03734	21.4
135.04587	2.2
137.02393	2.2
143.03488	1.3
151.04153	0.4
155.03503	3.5
173.04532	67.1
174.04842	1.7
177.01852	1.3
178.02713	4.4
179.03545	0.6
187.13374	1.2
191.05548	1.0
211.13303	0.6
231.10239	1.2
275.09097	1.5
307.11816	4.3
319.17545	1.1
327.15976	0.4
365.19476	0.5
439.27179	0.9
449.14496	12.5
450.15015	0.6
481.17035	50.0
482.17395	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98832	5.6
69.75998	3.1
71.01363	2.5
72.99303	1.1
93.03450	0.8
96.96011	2.5
97.01537	0.8
98.20695	1.1
109.02962	1.6
111.00833	1.2
115.00379	0.9
117.88110	0.7
119.05012	1.1
119.83102	0.8
121.13292	0.7
133.01500	0.9
133.02896	1.4
135.04506	1.8
136.01643	2.8
137.02419	1.6
139.00357	1.7
151.04013	1.1
159.04488	1.5
161.02422	3.5
161.06039	1.2
165.01900	1.5
170.05452	0.9
173.04547	0.9
177.02063	0.9
179.03545	1.8
185.06038	1.9
187.03899	1.1
191.05643	4.6
195.04558	0.8
212.04720	1.3
213.05531	11.5
223.03938	2.6
224.04744	1.3
231.02928	1.5
231.06526	0.9
241.05051	61.1
242.05403	3.1
256.07397	45.7
256.09662	0.6
257.04733	0.9
257.07684	2.0
259.02435	5.8
271.09741	100.0
272.10095	7.6
278.18832	0.8
319.04156	0.9
319.11856	28.0
320.12247	1.4
351.06982	1.5
481.09558	13.8
482.10120	1.3
496.37671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03461	0.6
58.00571	0.4
59.01376	100.0
59.87297	0.3
60.01713	0.9
61.98824	0.9
69.03452	16.0
69.61715	2.2
71.01381	10.1
71.01773	0.4
72.99319	0.8
73.02955	1.8
75.00850	0.4
78.95908	0.4
83.01400	1.4
85.02953	3.3
87.00903	0.5
89.02437	4.2
95.01414	0.7
96.95993	2.1
98.95623	1.0
99.00932	1.0
101.02430	5.8
111.78039	0.4
113.02427	2.4
115.00366	0.7
119.03503	1.9
124.01683	0.6
125.02453	0.8
133.01440	0.4
143.03494	0.5
161.04594	0.5
179.05582	0.7
183.13889	0.5
223.13519	0.5
233.15533	0.9
251.16348	0.6
305.17740	0.6
327.18213	1.8
327.21640	0.5
345.19113	4.8
377.19809	0.6
387.20120	1.9
395.20935	1.5
437.22049	1.5
481.19949	3.4
481.31686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79253	0.5
54.16456	0.5
59.01376	22.4
61.98826	100.0
69.02649	0.5
69.65692	2.4
70.12006	0.5
71.01378	6.5
72.99304	0.7
73.02943	8.3
74.12173	0.5
75.00851	0.8
79.13183	0.4
79.95734	0.8
82.96392	0.5
83.01382	2.6
85.02959	0.9
89.02445	1.7
95.01386	0.6
96.96014	12.3
96.96616	0.8
97.02946	0.6
101.02443	8.8
109.02962	0.9
113.02451	4.1
115.00353	0.9
119.03501	1.5
121.82558	0.6
131.03484	0.6
133.01460	0.8
135.04515	0.6
143.03531	1.2
149.04547	1.5
161.04567	4.6
172.24022	0.5
191.85587	0.5
221.06703	1.4
254.63905	0.5
373.18652	0.8
417.21112	0.9
480.20096	1.7
480.31601	0.8
481.07941	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	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58004	0.5
59.01376	35.4
60.01706	0.7
61.98827	100.0
71.01376	6.1
71.52145	0.5
72.99323	1.2
73.02945	0.9
79.81665	0.5
85.02964	2.2
87.00874	0.8
89.02428	1.4
93.03456	0.9
94.66486	0.5
94.72377	0.5
96.96021	1.5
101.01876	0.5
101.02464	2.3
102.36461	0.5
109.02993	0.6
113.02446	1.7
115.00360	1.8
119.03600	0.6
120.11401	0.5
125.02439	0.8
133.01440	1.9
135.04564	0.7
140.33151	0.5
161.04604	1.4
163.03943	0.6
173.04584	0.6
191.05617	11.3
265.42389	0.6
331.17700	1.4
373.18777	2.1
400.09143	0.7
436.18048	0.6
449.14560	0.8
479.65762	3.2
480.21741	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	480.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71204	0.6
61.98827	100.0
63.09205	0.7
63.41272	0.7
66.94214	0.7
70.80490	0.8
71.51170	0.9
71.51617	0.7
89.08626	0.7
111.81030	0.8
225.07063	0.8
283.26395	2.0
333.93539	0.7
453.14029	0.8
456.75723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
61.98825	1.7
66.94544	0.2
70.01438	0.5
71.01371	1.7
71.91958	0.2
72.99290	0.2
73.02943	0.3
75.00859	0.5
79.95734	4.9
83.05019	0.6
85.02946	0.4
87.00859	0.2
89.02505	0.2
93.03446	2.4
96.96005	100.0
97.06595	0.4
97.95946	0.4
98.34489	0.2
99.65599	0.2
101.02417	0.4
109.02931	0.3
110.97536	0.4
111.04541	0.4
115.00364	0.7
115.07647	0.2
122.06148	0.2
123.00845	0.3
133.01436	0.9
133.02965	0.3
134.03726	8.9
135.04550	1.7
137.02435	2.8
139.03938	0.2
148.05273	0.2
152.01175	0.3
153.01917	0.4
155.03505	0.4
155.10770	0.6
159.04530	0.2
160.05310	0.5
161.05981	0.2
165.01979	0.2
166.02736	0.2
167.03448	0.5
173.04533	0.4
177.01947	0.5
178.02696	1.7
179.03389	0.2
181.05170	0.3
183.02960	0.4
191.03639	0.4
191.05574	1.6
196.58295	0.2
199.09779	0.8
201.14853	0.2
204.04300	0.3
231.10190	0.5
275.09299	0.7
282.05304	1.1
283.11673	0.4
297.07632	1.4
307.11844	8.0
308.12122	0.4
312.10184	0.4
313.11023	0.2
326.04239	0.3
339.08466	0.3
341.06638	0.8
353.06491	0.3
356.09027	1.1
363.20349	0.5
364.20584	1.0
365.20718	1.1
368.09119	0.2
371.11237	0.4
443.00610	0.2
449.14886	0.2
480.30518	1.7
481.08054	31.1
481.30591	0.8
482.08347	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	479.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33200	0.7
55.56277	0.8
57.03436	2.0
59.01380	12.1
61.98821	4.1
68.77078	0.9
68.99819	1.2
69.03458	1.2
70.46280	2.3
71.01376	18.2
71.34722	0.9
72.01704	1.0
72.99303	3.0
73.02943	42.7
75.00864	8.8
83.01377	1.1
83.05019	1.4
85.02950	11.5
87.00871	3.3
89.02434	3.9
93.03461	1.4
95.01407	3.1
96.96014	2.5
97.02957	1.0
99.00868	6.6
101.02430	3.6
103.00410	1.1
109.02945	1.5
113.02451	14.2
115.00371	8.1
117.01946	2.1
119.05006	2.9
120.05360	1.2
120.99626	1.1
125.09792	1.2
128.87883	0.8
129.01979	1.4
130.06793	1.0
133.01443	7.5
135.04500	1.7
155.10760	2.1
163.03967	1.6
163.11380	1.3
171.10295	1.9
175.02557	1.2
181.12291	2.9
189.57820	0.9
191.05510	1.3
199.13396	6.0
203.03485	0.8
207.10204	4.9
211.13277	1.0
225.11278	12.0
225.40900	0.9
229.14369	5.5
231.05025	1.9
243.12340	2.8
249.06126	28.3
253.09264	1.0
267.07108	1.5
323.09833	5.2
363.23752	4.3
383.07626	1.9
458.13626	1.1
461.20364	5.5
462.20407	1.0
479.21295	100.0
480.21625	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	479.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60171	0.6
53.39110	0.5
57.03418	0.8
59.01374	4.4
61.98826	2.9
71.01363	1.6
71.33411	0.9
71.33772	0.6
78.91823	0.6
78.95895	12.8
83.04990	0.6
86.80056	0.6
96.95984	1.1
97.06553	0.6
99.08127	3.2
110.97850	0.8
110.98532	11.1
111.08125	1.0
113.09718	3.0
121.10135	0.6
127.07623	0.8
129.09201	4.6
134.78850	0.6
137.00209	0.7
139.11244	1.6
139.83629	0.6
141.09276	1.0
145.63632	0.6
151.11197	0.7
152.99507	0.9
167.01132	6.0
167.10794	0.6
167.14374	0.9
169.12328	1.9
171.10263	3.1
181.12318	4.3
183.13876	3.0
185.02182	8.2
193.12257	2.7
197.11809	10.7
199.13411	4.3
201.96184	0.7
209.11850	0.7
211.13367	16.9
212.13522	0.9
215.62914	0.7
265.21588	1.5
265.99420	0.6
275.20148	2.0
293.21164	14.0
294.21567	0.8
311.22241	100.0
312.22626	7.7
338.48901	0.6
479.24109	57.1
480.24411	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	479.2648
Annotation	Clerodinin D
Peak:m/z	Relative Intensity
55.01873	1.0
55.26943	0.7
57.03445	1.3
59.01379	100.0
60.01696	0.7
61.98830	2.0
69.03464	1.6
69.10464	0.5
70.14864	0.6
71.01379	12.4
71.52290	0.7
72.99310	0.8
73.02943	4.7
75.03128	0.5
78.95902	2.8
79.09342	0.5
80.96545	0.6
83.01369	3.2
85.02946	5.4
87.00864	1.2
89.02451	1.8
91.30692	0.6
95.01389	1.1
96.96028	0.9
97.06607	2.1
99.00881	1.2
101.02451	8.7
101.69335	0.6
110.98544	2.3
111.00935	0.7
113.02461	2.6
113.09718	0.6
115.00387	0.6
119.03524	1.1
153.05495	0.6
161.04666	0.7
167.01199	1.7
171.10370	0.8
185.02219	1.1
197.11838	1.1
199.13277	0.6
211.13414	1.7
241.29312	0.6
275.20166	3.4
291.22784	0.7
293.21268	2.9
311.22269	16.5
312.22681	1.2
419.24371	6.4
437.25381	14.9
438.25970	1.3
479.25641	15.8
480.26309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3011
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
51.29434	0.4
57.03447	2.1
59.01374	5.4
61.98825	4.2
69.41325	3.2
71.01379	7.9
71.05021	1.2
72.99281	0.7
73.02943	1.1
75.00871	7.0
76.70864	0.4
79.95734	3.3
83.05019	4.9
85.02934	2.0
85.06098	0.8
85.06581	7.8
87.08191	0.4
89.02428	1.4
95.95221	3.2
96.96005	31.4
97.06577	0.5
98.95583	1.0
99.04509	0.9
101.02434	2.6
113.02458	1.2
115.00339	1.6
115.07633	2.3
120.99652	2.2
125.02422	4.1
129.01892	0.5
133.01433	1.9
134.03691	0.7
135.04504	0.9
138.97050	1.2
143.03426	0.5
143.10719	1.0
159.10280	3.4
165.98447	0.5
177.04037	4.9
179.03529	0.7
183.10226	0.7
187.02455	2.6
198.99246	0.6
209.11809	0.5
211.13284	0.5
213.00702	0.9
216.24081	0.5
219.05840	0.4
219.13831	0.8
225.00705	1.3
227.14418	0.9
229.12376	0.8
241.00214	1.1
245.15474	2.9
247.13191	0.7
256.99792	3.8
278.10989	0.4
283.16907	0.5
301.18100	0.9
303.23276	2.4
319.19025	1.0
333.27917	0.8
355.26340	0.6
371.29388	1.1
389.30518	0.9
390.14111	0.5
390.30609	0.5
417.30017	1.2
435.31134	30.2
436.31406	3.8
461.29050	1.8
479.20245	30.5
479.30109	100.0
480.19360	2.7
480.30466	11.0
480.61218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03064	0.5
57.03427	1.1
59.01380	8.3
61.98821	5.8
69.15409	6.6
71.01378	16.1
71.05006	1.3
72.99294	1.3
73.02948	1.1
73.04062	1.3
83.05032	1.7
85.02962	1.1
87.00848	1.0
88.04030	5.6
88.98783	0.8
89.02424	2.1
90.32928	0.6
95.04935	0.6
96.96009	5.2
97.02939	1.6
97.06583	0.9
98.20647	1.8
99.00877	11.7
99.04553	0.6
101.02429	2.4
103.05074	0.6
109.06556	1.0
110.03683	1.5
113.02417	2.1
115.00365	13.7
116.05013	1.1
117.72460	0.6
118.32996	0.7
119.03497	0.9
119.05012	6.0
120.05350	1.8
123.04446	0.8
125.09737	3.4
127.11272	0.7
129.10332	4.4
132.03014	3.7
133.01433	5.5
134.40649	0.7
135.04547	0.8
141.10373	0.8
142.02698	0.8
146.06082	1.9
155.10716	1.9
159.04488	1.8
159.10170	0.8
163.04005	4.2
163.11269	5.4
164.04359	1.1
164.07109	1.8
167.05730	1.3
167.10587	0.6
168.11401	1.0
171.10246	3.9
179.03476	0.9
179.05661	0.8
181.12317	11.9
181.29718	0.6
182.12616	0.8
186.12476	10.3
191.05641	1.5
197.11691	1.1
199.09708	0.9
199.13391	9.3
201.11284	1.8
207.10257	19.7
208.10519	0.8
224.12814	1.1
225.11304	33.1
226.11610	1.3
229.01518	1.9
229.14450	0.9
241.13402	1.7
242.11729	1.0
243.12357	21.3
244.12694	0.8
253.09360	1.6
296.06760	0.8
315.18192	4.7
317.16177	1.1
324.05920	0.9
325.14462	0.7
333.19312	4.9
339.08621	0.7
362.22690	0.9
363.20221	4.2
363.24146	11.4
364.18796	10.1
364.23682	1.0
365.19119	1.0
383.07632	3.5
384.08121	1.8
405.21451	1.0
405.26419	1.4
435.22696	1.2
457.13571	1.1
458.13608	1.2
461.20456	2.1
479.21341	100.0
480.15530	1.0
480.21658	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	479.1952
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
52.69762	0.3
57.01792	0.4
57.03423	0.9
59.01375	3.6
61.98832	2.8
70.80191	0.9
71.01379	6.3
72.01703	0.4
72.99310	1.2
73.02929	0.9
75.00864	8.5
78.50018	0.4
78.95892	0.6
79.95730	4.2
80.96511	1.2
83.01391	0.6
85.02945	3.1
85.06598	0.4
86.87328	0.4
87.00872	0.8
89.02448	0.9
95.95231	2.9
96.96003	100.0
99.00883	1.0
101.02423	2.2
107.01375	0.4
113.02484	0.7
115.00369	1.6
115.04012	0.9
116.92872	0.9
120.99638	1.2
122.99214	0.6
125.02436	1.6
129.01921	2.4
131.03471	0.5
133.01385	1.7
133.02945	0.6
134.03682	0.7
135.04492	1.2
138.97050	2.9
150.97089	0.5
159.02950	1.3
164.98633	0.8
168.98146	2.2
177.04027	22.7
177.21239	0.4
178.02682	0.6
179.03458	1.1
187.02438	0.8
194.99660	1.4
198.99144	1.3
213.00732	3.5
225.00818	0.4
235.94891	0.4
241.00262	1.1
247.09666	0.5
256.99677	12.8
258.19424	0.4
320.32611	0.4
363.18256	0.7
435.30850	2.0
479.19559	98.0
479.31030	7.4
480.19864	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	479.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03445	2.5
58.65469	0.8
59.01376	21.1
61.98824	12.1
62.24075	0.9
69.03438	1.2
69.49445	1.1
69.49766	6.0
71.01379	25.2
72.99310	7.4
73.02943	62.6
75.00861	13.6
77.79028	0.8
82.89343	0.8
83.23273	0.8
83.72572	0.8
85.02945	19.7
87.00875	12.0
88.57906	0.8
89.02433	5.8
95.01360	5.2
96.00912	0.9
96.95983	3.2
98.79919	0.9
99.00879	7.5
101.02431	7.1
103.00354	2.7
109.02955	1.0
111.00853	1.8
113.02441	27.9
114.02778	1.0
115.00383	8.9
117.01931	2.8
119.05040	1.8
120.01273	0.9
121.02929	1.4
123.04480	0.9
125.02407	1.0
129.01935	1.6
133.01434	9.7
135.04494	1.5
144.68642	0.8
145.01422	3.6
151.07626	2.3
155.10780	2.9
156.10999	0.9
163.03952	1.1
166.05103	0.9
171.10315	4.0
175.02454	2.5
179.03511	1.2
191.05606	1.5
199.09691	2.6
200.10101	1.2
205.07108	1.1
211.13371	4.3
225.11331	1.4
229.12294	2.0
229.14464	4.8
231.05045	1.2
249.06107	15.7
263.07846	1.0
267.07138	4.6
275.09244	1.4
282.11353	3.1
289.16800	1.0
301.10898	1.2
305.08365	1.0
319.11761	1.1
323.09814	15.3
345.09808	1.1
363.10956	1.1
363.23920	1.2
383.07608	1.7
417.20953	4.3
419.25473	2.1
444.17395	2.2
461.20190	9.8
462.20996	1.2
479.21265	100.0
480.10986	1.1
480.21652	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	479.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01376	50.5
60.01713	0.5
61.98821	1.2
63.56490	0.4
69.03476	0.6
69.89083	0.3
71.01010	0.6
71.01376	7.9
72.99300	0.8
73.02942	2.0
75.00871	5.0
75.39999	0.3
79.95728	3.7
80.96519	0.9
83.01375	0.8
85.02942	3.0
87.00886	0.8
87.04523	1.6
89.02436	2.1
89.77335	0.3
95.95220	3.0
96.96004	100.0
97.02962	0.7
99.00867	0.9
101.02436	4.1
102.47866	0.3
108.14498	0.3
113.02435	1.8
113.85581	0.4
115.03996	0.4
119.03466	0.7
129.01949	1.9
131.03484	0.6
135.04550	0.3
138.97050	3.1
148.36095	0.4
150.97029	0.7
159.02985	1.2
160.45392	0.3
161.04515	0.7
168.98116	2.2
176.98642	0.6
177.04031	23.8
178.04276	0.7
179.03448	0.4
194.99675	1.7
198.99123	1.2
213.00739	3.0
225.00708	0.8
241.00203	1.0
256.99686	17.2
259.01202	0.9
290.87787	0.4
385.49292	0.4
419.24399	0.9
437.25397	0.7
479.19504	88.2
480.19858	7.6
485.64243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.195
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
57.03468	0.3
59.01375	8.1
61.98826	1.8
67.47220	0.3
70.88885	0.6
71.01376	4.7
73.02929	0.5
75.00870	1.4
78.95866	0.4
79.95734	10.4
80.71980	0.4
80.96507	2.1
85.02952	1.4
89.02447	0.5
95.13609	0.3
95.94311	0.4
95.95228	18.4
96.96002	73.1
98.99107	0.3
101.02423	1.4
110.97176	0.3
113.02445	0.7
115.00346	0.6
115.04012	0.4
119.05057	0.5
122.97578	0.7
129.01932	0.6
133.01379	0.5
135.04503	0.4
138.97064	4.5
150.97038	4.6
151.97853	1.9
156.12810	0.3
159.03049	0.3
168.98149	1.0
171.10199	0.4
176.98642	0.5
177.04028	8.6
178.02744	0.3
179.03555	0.4
180.98047	0.5
194.99635	1.1
198.99179	2.9
213.00699	1.7
222.99142	1.3
225.00706	1.0
241.00264	4.4
256.99704	8.0
259.01266	1.6
325.05896	0.4
327.07535	4.9
393.12149	0.7
435.50726	0.3
479.19495	100.0
480.19833	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	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37306	0.3
59.01377	2.2
61.98825	100.0
64.26302	0.3
70.05631	0.3
71.01376	2.0
71.28251	0.3
71.51902	0.3
75.00877	1.1
77.65195	0.3
89.02425	0.5
92.47185	0.3
96.96012	3.6
97.35426	0.3
101.02463	0.4
115.00385	1.0
133.01448	1.2
135.04469	0.5
245.15582	0.3
256.99911	0.4
263.16574	0.7
326.81180	0.3
362.26294	0.4
363.21906	0.4
478.18427	3.0
478.31000	1.3
479.19592	4.2
479.28802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70874	0.4
55.73567	0.4
57.03431	0.4
59.01369	5.2
61.98823	4.1
69.26296	2.7
71.01379	6.7
72.99299	1.1
73.02963	1.0
75.00868	5.9
78.95905	0.9
79.95732	14.4
80.96522	1.2
81.03444	0.4
83.01418	0.4
85.02946	1.7
87.00868	1.2
89.02453	1.2
95.95228	18.7
96.96004	79.1
98.95582	0.9
99.00879	0.8
101.02435	1.8
103.04011	6.8
103.30921	0.4
106.06613	0.6
113.02493	0.6
113.92420	0.4
115.00376	1.8
120.99634	4.8
122.97575	0.4
125.02438	0.4
129.01938	1.0
133.01425	1.9
133.02959	0.5
134.03738	1.0
135.04498	1.0
138.97086	3.1
141.95767	1.2
150.97105	0.9
152.98534	0.8
152.99620	0.9
159.02921	0.6
161.04562	0.5
162.05389	0.5
164.98598	1.0
167.00229	0.5
168.98135	1.0
177.04031	9.9
178.02684	0.5
179.03389	0.7
182.99664	1.6
194.99701	0.5
197.01245	0.8
198.99161	1.6
204.11053	0.4
211.13504	0.4
213.00752	1.6
225.00732	9.2
226.01051	0.4
229.08971	0.6
241.00203	0.9
256.99734	6.0
259.01239	0.4
274.10760	0.4
317.11447	0.5
354.14938	0.4
370.14145	0.4
391.24933	0.4
395.13947	0.4
437.25528	0.4
452.52850	0.4
457.51782	0.5
479.19592	100.0
479.32162	5.2
480.19882	9.2
480.30905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.9
61.98818	10.1
62.60769	5.6
66.25829	5.6
67.50417	5.1
71.01383	25.9
71.51781	6.7
73.02102	6.3
75.89271	5.2
76.15247	6.0
78.95860	6.3
93.37936	5.9
97.69476	6.4
101.02425	7.4
113.02427	12.5
123.87521	5.9
206.61551	6.4
255.23273	100.0
256.23581	9.5
260.36343	7.7
269.24841	97.4
279.23358	7.5
292.04886	6.5
297.24301	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	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
60.01723	0.3
61.98827	100.0
71.01385	4.5
71.52112	0.3
72.99306	0.4
73.02949	0.6
75.00844	0.7
83.01410	0.4
84.64957	0.3
85.02964	0.8
87.00883	1.0
87.05611	0.3
88.72445	0.3
89.02451	0.6
96.96008	4.7
98.95647	0.4
101.02454	1.1
106.39474	0.3
113.02461	1.0
115.00376	1.8
117.78017	0.3
119.04977	1.8
120.99622	0.7
125.02462	0.7
133.01408	1.6
133.02927	0.7
135.04523	1.1
136.04947	0.3
161.04562	0.8
163.04085	0.9
180.61412	0.3
201.03941	0.3
294.33475	0.3
362.26273	0.4
383.07849	0.7
402.58438	0.3
406.81699	0.4
415.19775	0.7
418.25284	2.1
457.13580	0.7
478.18292	6.9
478.30283	0.6
479.19553	2.7
479.32184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2489
Annotation	Labiatin B
Peak:m/z	Relative Intensity
51.63343	0.6
53.41624	0.6
55.01871	2.5
57.03443	2.2
58.00583	1.0
59.01374	100.0
61.98825	2.0
67.01874	0.6
69.03455	2.7
70.03259	2.3
71.01377	28.1
71.05025	0.6
72.99296	3.1
73.02940	12.7
75.00877	1.1
78.95884	0.6
81.03497	0.7
83.01378	5.0
83.05051	0.7
85.02943	11.0
86.00095	1.6
87.00890	1.3
89.02433	4.1
91.35915	0.5
93.03459	1.7
95.01389	2.2
95.05014	23.8
97.02946	2.1
97.06566	0.9
99.00880	2.4
101.02432	14.7
111.00893	1.3
112.01703	1.1
113.02439	6.3
115.00373	1.6
119.03505	1.9
121.02963	1.9
123.04529	0.7
124.01653	2.1
125.02422	1.4
133.01401	1.5
134.03690	1.5
135.04507	0.6
137.06012	1.1
143.03514	1.5
158.07333	1.3
159.03073	0.9
161.04584	2.0
162.06848	0.6
171.10283	0.8
173.05922	0.8
178.02759	1.4
197.06020	1.1
209.11804	1.2
248.47179	0.6
273.18610	6.3
291.19574	4.8
309.20648	1.6
315.19849	1.0
345.20761	1.3
361.16541	2.9
363.17703	0.6
379.21069	1.1
389.10251	1.6
399.21500	0.7
417.22736	7.0
418.23062	0.9
433.09109	1.8
435.23816	24.9
436.24084	2.3
447.70239	0.6
477.11292	2.0
477.24786	35.7
478.25134	4.3
486.40826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03430	1.3
58.00595	0.4
59.01378	18.9
61.98832	2.8
62.09130	0.3
64.43077	0.3
69.03440	0.3
71.01379	21.5
71.05010	0.7
71.50991	0.4
72.01711	0.6
72.99303	1.0
73.02940	2.7
74.02476	0.4
79.07685	0.4
83.01379	2.0
83.05048	0.5
85.02943	4.1
87.00867	1.4
87.04515	0.4
87.24118	0.3
88.98786	1.1
89.02445	4.0
95.01386	0.8
96.96007	1.6
97.02956	0.7
99.00867	0.9
101.02435	7.1
111.00872	0.6
113.02431	3.7
115.00368	9.8
119.03492	1.4
119.04948	0.6
125.02441	0.6
133.01425	4.2
133.02945	1.0
135.04568	0.4
139.11263	0.4
143.03517	0.4
153.12839	1.3
155.10744	0.9
159.02960	0.5
161.04546	1.6
163.07668	0.4
164.98241	0.4
179.03416	0.4
181.08698	1.3
181.12375	1.7
183.10248	0.6
197.11801	0.9
199.04002	0.6
199.09682	1.0
199.13376	13.6
200.13727	0.5
204.57205	0.3
211.13358	0.4
215.12772	0.5
227.03346	0.3
239.12988	0.5
241.14397	0.5
243.02840	0.5
243.12338	0.6
244.12642	0.5
245.12756	0.6
267.07104	1.0
285.03955	0.6
299.01920	3.7
300.02689	3.4
301.03339	0.5
313.03470	1.4
315.05118	2.6
343.17514	3.0
343.21027	0.4
361.18631	100.0
361.22122	4.6
362.18976	7.6
362.23242	0.6
383.07758	0.4
417.24945	5.4
433.21030	0.5
477.10342	7.2
477.19067	3.3
478.10812	0.5
478.26343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03426	0.5
57.50298	0.4
59.01378	5.7
69.53257	0.7
69.53664	1.8
71.01376	14.5
73.02943	1.0
83.01368	1.2
85.02937	2.5
89.02439	1.8
96.92284	0.4
97.02941	0.5
99.00858	0.7
101.02437	3.6
104.96201	0.4
109.99493	0.4
112.05090	0.5
113.02439	1.7
115.00352	6.8
125.02427	0.5
129.50264	0.4
133.01390	2.2
153.12791	0.5
169.44794	0.4
181.12282	1.4
197.11737	1.2
199.13371	9.2
268.95270	0.4
276.23962	0.4
296.45004	0.5
343.17563	3.1
344.05304	0.4
361.18634	100.0
362.19022	7.4
462.17615	0.4
477.19653	3.2
478.19705	0.5
503.10681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.23465	0.3
53.66364	0.3
59.01370	0.5
61.98813	0.4
70.82196	0.7
76.03899	0.3
77.46452	0.3
78.18089	0.3
78.95898	28.5
89.21391	0.3
96.96951	0.7
107.59499	0.3
116.89359	0.3
122.00104	1.0
140.01183	6.0
152.99557	3.7
171.00615	1.7
196.03784	11.6
214.04826	2.6
261.22198	0.7
271.87921	0.3
279.23257	100.0
280.23587	6.7
349.67673	0.3
401.60867	0.4
476.27777	38.4
477.28116	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58005	0.3
59.01358	0.4
61.98814	0.9
62.96397	0.5
67.19386	0.3
69.71593	1.3
69.71997	0.7
71.38937	0.3
78.95900	100.0
82.89449	0.3
96.96958	8.2
116.21394	0.3
140.01187	0.5
152.99573	16.8
167.55943	0.3
171.00629	19.7
214.04828	0.5
279.23175	1.2
402.24051	2.1
476.27786	66.6
477.28027	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1034
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01354	0.6
65.00315	1.3
70.18964	1.5
71.01379	1.5
96.96003	1.1
97.02952	0.8
98.20655	0.5
109.02932	2.3
115.00381	0.5
121.02955	4.5
128.73224	0.5
133.02936	0.5
135.00809	0.4
139.57501	0.5
149.02440	0.7
151.00351	1.0
159.04401	0.4
163.00314	1.0
165.01915	13.6
193.01389	2.1
199.03937	2.7
201.01979	0.5
215.03349	0.8
226.02704	1.8
227.03462	3.6
242.02014	0.7
243.02937	6.1
254.02197	1.6
255.02937	2.6
256.03619	0.5
259.06079	0.7
269.04541	2.0
270.01608	1.1
271.02448	66.1
272.02850	3.6
282.01678	0.7
285.04160	2.1
286.04193	0.5
287.05481	1.1
297.03836	0.6
299.01932	100.0
300.02515	12.1
301.03189	0.5
314.04282	98.2
315.05029	54.7
315.08853	1.0
316.05423	3.4
332.36063	0.4
339.08582	0.5
357.06180	1.1
361.25897	0.8
460.83478	0.5
477.10327	96.2
478.10706	8.2
491.30875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98813	0.6
70.36289	0.3
70.36658	0.3
71.01369	0.2
78.95900	5.6
83.05070	0.1
122.00112	0.2
140.01180	2.1
152.99602	0.7
159.23257	0.1
183.39734	0.1
196.03793	1.1
214.04863	2.9
261.22208	0.3
279.23260	100.0
280.23587	7.2
343.46188	0.1
466.44162	0.2
476.27789	11.7
477.28171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01374	3.0
61.98826	0.2
67.00710	0.2
69.03452	0.2
69.55975	0.5
69.56389	0.5
71.01376	9.3
72.99293	0.4
85.02931	0.2
89.02447	0.2
91.18966	0.2
101.02404	0.2
109.06583	0.2
111.08127	0.2
115.00361	7.8
127.11299	0.3
129.03883	0.2
133.01407	1.1
133.02937	0.8
135.04442	0.3
141.12814	0.2
177.01900	0.7
178.02678	0.4
185.11696	0.3
193.53607	0.2
197.08409	0.2
201.09233	0.2
209.11823	1.3
211.13266	0.4
269.24814	0.3
289.18057	0.3
295.22809	0.5
309.14819	0.4
311.22238	0.7
311.25906	0.7
313.23822	4.0
314.24045	0.4
327.15826	0.4
339.25391	0.2
341.27090	1.1
357.26398	0.7
359.27988	100.0
360.28323	7.2
364.07236	0.2
475.28934	1.8
476.29703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01379	5.2
59.33646	0.2
61.98816	0.6
69.35403	1.6
71.01376	9.2
72.99293	0.3
73.02943	0.3
75.00848	0.2
78.67410	0.2
80.39585	0.2
83.05036	0.3
85.02942	0.3
87.00845	0.3
96.96008	0.4
101.02404	0.7
109.06593	0.4
113.02454	0.4
115.00362	7.9
127.11278	0.3
133.01410	1.5
133.02930	1.8
134.03746	0.3
135.04468	0.3
137.02441	0.3
141.12866	0.4
143.03522	0.2
150.82994	0.2
155.10820	0.2
155.14287	0.2
159.04442	0.4
168.67284	0.2
177.01921	1.3
178.02737	1.0
185.11755	0.3
190.64598	0.3
209.11789	1.7
211.13374	0.7
243.12375	0.3
271.22855	0.4
289.18060	2.0
295.22867	0.3
311.22208	0.4
311.25827	0.7
313.23788	4.5
314.24130	0.4
325.23718	0.2
339.25217	0.3
341.26923	1.2
357.26407	0.8
359.27988	100.0
360.23715	0.4
360.28296	8.2
415.27206	0.4
433.28064	0.7
475.21127	0.7
475.29007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
58.00590	1.2
59.01376	100.0
60.01714	1.3
60.93232	0.4
61.98830	1.5
69.31823	3.8
71.01379	22.0
72.99321	1.1
73.02930	2.0
73.20515	0.4
75.00870	0.5
79.30949	0.4
80.71763	0.4
83.01395	1.5
85.02941	3.8
85.62095	0.4
87.00885	1.5
89.02441	30.6
95.01405	1.4
96.96004	2.4
101.02438	11.6
107.01383	0.6
113.02446	8.8
115.00394	1.4
119.03494	13.9
119.05020	1.9
125.02448	0.8
131.03496	1.7
132.71843	0.4
133.01427	0.9
143.03468	3.2
149.04582	1.9
151.00371	1.2
151.85405	0.4
161.04543	5.6
166.12401	0.4
170.63828	0.4
179.05605	12.5
181.12405	0.5
243.12434	0.7
255.67406	0.4
271.05997	5.3
315.21713	2.9
332.05585	0.4
352.59174	0.4
353.04614	0.6
359.14703	0.5
359.20584	0.6
359.24304	2.9
415.23309	3.3
475.16693	4.1
475.29327	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	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03443	0.7
57.04869	0.4
58.00598	0.7
59.01375	100.0
60.01729	0.6
60.14920	0.4
61.98834	1.8
69.03451	1.3
71.01378	31.3
71.27743	0.6
71.28098	0.7
72.99311	2.0
73.02942	26.5
75.00877	1.5
80.53228	0.4
81.03484	0.4
83.01379	8.5
83.01832	0.6
85.02943	7.4
87.00873	2.4
87.04523	2.0
89.02441	17.1
95.01392	2.2
96.96014	2.8
97.02975	0.8
99.00871	2.7
99.04546	0.5
101.02434	32.5
101.06081	0.8
111.00865	0.6
113.02444	18.4
115.00388	1.0
116.19393	0.4
119.03498	7.9
124.75710	0.4
125.02432	3.0
129.95540	0.4
131.03502	2.3
133.01434	1.1
135.04485	0.5
143.03477	5.7
149.04530	2.9
161.04536	10.1
163.11369	0.5
171.81573	0.4
179.04060	0.8
179.05585	5.7
181.12350	2.7
193.17796	0.4
221.06667	1.0
224.69469	0.5
225.11441	0.7
225.14806	0.5
227.10796	1.3
243.12393	0.9
245.06128	0.5
249.06274	0.5
271.19266	1.2
297.15027	0.9
313.20471	0.7
327.17978	2.8
359.20938	1.5
397.22430	0.5
415.23331	11.3
415.28461	0.7
416.23544	0.5
433.24249	4.4
475.18219	8.7
475.24857	0.9
476.18488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.06820	0.3
57.03431	0.5
58.00598	0.9
59.01377	100.0
60.01717	0.9
61.98830	3.4
68.49251	0.3
69.03458	0.9
69.30436	2.5
71.01379	33.6
72.01720	0.3
72.99316	1.2
73.02943	36.2
75.00883	0.9
81.03477	0.4
81.04950	0.3
83.01385	9.0
85.02944	6.2
87.00855	1.4
89.02444	12.2
95.01391	2.1
96.96024	0.7
97.02956	0.8
99.00896	1.2
101.02439	33.6
102.02758	0.6
111.00885	0.4
113.02446	20.1
114.02748	0.3
115.00364	1.8
119.03490	4.7
119.04244	0.5
125.02420	1.5
131.03488	3.3
133.01454	2.0
135.04509	2.6
143.03491	3.0
149.04552	4.0
155.03519	1.3
155.10799	0.4
161.04543	8.6
162.04945	0.3
179.03500	2.3
179.05655	2.1
180.03682	0.3
183.10278	0.3
193.57077	0.3
203.05617	0.6
208.76883	0.3
221.06746	0.9
243.12312	1.8
284.03403	0.4
359.13892	0.7
359.20944	1.3
397.22437	0.6
415.23395	4.6
416.23752	0.5
433.24261	0.7
442.21344	0.3
475.16479	0.9
494.46320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17993	0.7
59.01375	19.0
60.99298	12.7
61.98815	1.7
68.53879	0.7
70.31918	2.1
71.01375	12.2
73.02930	1.8
85.02917	1.1
88.00394	1.9
88.98800	100.0
89.02435	15.2
101.02448	1.5
113.02448	1.6
113.13753	0.7
115.00362	10.5
133.01430	3.8
135.04465	1.5
139.11272	11.1
139.71375	0.7
150.73537	0.7
153.05577	0.8
153.09187	2.1
178.02557	0.7
179.03458	0.8
181.12326	5.6
183.10239	12.9
197.08194	1.8
197.18980	0.8
199.13431	4.1
225.05908	1.6
225.11301	3.9
243.12341	70.5
244.12712	2.6
359.13416	9.0
359.20270	1.0
360.14120	1.2
374.64386	1.0
415.23294	1.5
415.59549	0.8
475.13983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	60.6
61.98825	13.8
70.14148	6.1
71.01380	41.3
72.99309	5.9
73.02946	5.4
75.00879	2.9
78.48921	1.3
79.95737	1.9
83.01397	4.7
85.02935	7.4
87.00877	7.7
88.05804	1.6
89.02442	4.0
95.01325	1.7
95.95261	1.8
96.96009	17.5
97.02966	1.6
99.00860	2.1
101.02473	9.8
103.05653	1.4
107.05046	1.7
113.02444	5.9
115.00370	14.1
118.98100	12.3
120.99583	1.5
125.02451	1.8
133.01443	21.1
133.02408	1.6
133.02948	5.2
134.03777	1.5
135.04530	8.2
177.01944	4.0
177.04094	1.8
178.02681	3.0
179.03433	2.4
181.15974	2.1
209.11823	6.6
209.15353	1.6
211.13228	1.6
227.16519	23.1
239.16521	2.0
243.12320	2.4
243.16003	2.7
275.09222	2.3
283.13327	2.3
309.14737	1.6
315.15839	2.8
319.98843	1.8
345.17139	1.5
349.63977	1.6
359.15060	3.5
359.28070	8.7
371.20679	13.3
389.21826	43.2
390.22253	3.6
413.38547	1.7
431.22794	100.0
432.23132	9.8
475.16519	19.3
475.30444	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	475.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32166	0.7
68.90562	0.8
70.72083	0.7
71.01379	13.0
72.99304	5.7
73.47501	0.8
73.72701	0.8
89.02444	2.4
115.00367	43.7
117.71149	0.8
120.67522	0.9
132.94586	1.0
133.01424	100.0
134.01793	1.6
171.97229	0.9
174.72890	0.8
220.68416	0.8
241.68719	0.8
425.74347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20457	0.4
51.95792	0.4
54.23440	0.4
55.01880	0.4
57.03441	2.2
59.01376	23.1
60.01702	0.7
60.60423	0.4
61.30322	0.4
61.98821	3.6
67.01884	0.5
69.03431	0.5
71.01381	17.3
71.51733	0.9
72.99303	0.6
73.02939	3.1
75.00871	0.8
76.22432	0.4
83.01388	4.6
83.05036	0.5
84.02174	1.3
85.02950	5.5
87.00881	1.1
87.04510	1.7
88.98805	1.0
89.02446	3.4
93.03460	4.1
95.05007	0.8
96.55722	0.4
96.96021	0.6
99.00903	0.5
101.02433	3.5
101.03043	0.5
105.01908	1.0
111.00870	10.9
111.04532	0.9
112.98814	0.5
113.02427	2.8
113.06082	0.7
115.00365	11.5
119.03476	1.1
119.05060	1.8
123.04504	0.6
125.06046	0.4
129.01949	3.1
131.03412	0.5
133.01424	1.6
134.03716	0.5
135.04517	0.9
135.08119	2.3
137.02426	3.9
137.09708	12.9
138.10002	0.6
139.11284	0.5
141.09207	0.7
150.56642	0.4
153.09160	0.4
153.99332	0.3
155.10773	59.4
156.11050	1.8
157.84207	0.4
160.01639	1.4
161.04533	1.8
167.03609	0.4
167.10745	0.4
169.12305	1.2
175.03975	1.6
175.65233	0.4
179.03557	0.6
179.05518	0.8
181.08690	7.9
181.12291	0.5
183.10236	0.5
193.04993	0.6
195.13879	1.3
199.09741	22.2
200.10056	0.9
207.94238	0.4
211.09595	0.5
213.09286	0.5
213.11328	1.3
234.11940	0.4
239.12872	1.1
241.10747	4.4
243.12334	1.5
267.12390	3.1
298.08319	0.5
311.07684	1.6
311.11298	1.5
313.10791	0.6
329.12381	12.3
330.12698	0.6
337.09259	2.0
359.13437	100.0
359.20746	3.0
360.13831	7.2
370.26694	0.4
415.23508	3.6
475.14029	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98828	24.3
70.17276	0.7
70.17661	0.7
71.01378	0.5
75.98580	0.3
78.95899	45.9
83.62141	0.3
83.88336	0.4
96.96946	1.7
108.22551	0.3
119.59946	0.4
122.00151	0.5
134.98538	0.4
135.66272	0.4
140.01193	6.9
143.24036	0.3
152.99596	5.4
162.83850	0.5
171.00642	4.0
179.97530	0.4
189.76125	0.4
196.03783	11.5
214.04858	3.1
259.20599	0.5
275.20120	0.6
277.21695	100.0
278.22043	6.8
311.22479	0.5
350.68353	0.4
403.89127	0.3
474.26224	52.4
475.26563	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	475.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24714	0.6
56.08258	0.6
59.01375	1.9
69.11723	8.1
71.01378	14.3
72.99302	2.5
80.24625	0.8
85.41340	0.7
89.02434	2.7
90.82222	0.7
115.00365	34.6
124.81387	0.9
133.01425	100.0
134.01773	2.4
134.03824	0.9
135.04515	17.1
148.39120	0.8
179.03476	16.7
185.15428	0.7
194.60402	0.8
198.41251	0.7
223.00925	0.8
240.87407	0.7
295.04623	2.7
359.07864	1.6
369.47253	0.8
377.08481	0.9
415.14459	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22907	0.3
59.01380	1.8
61.98820	1.3
63.65471	0.3
64.53111	0.3
69.55573	1.4
71.01366	0.4
72.99127	0.3
78.95899	11.9
85.16019	0.3
89.39851	0.3
96.96996	0.4
98.20611	0.6
110.28088	0.3
122.00076	0.3
122.22114	0.3
122.73507	0.3
140.01170	3.3
152.99576	1.3
171.00613	0.9
180.16415	0.3
196.03751	1.6
199.87088	0.3
214.04883	3.9
233.22588	0.4
277.21701	100.0
278.22055	6.9
301.69150	0.3
474.26205	14.2
475.26767	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.6
60.01707	1.0
61.98820	1.5
69.98509	0.8
69.98899	1.0
71.01379	9.0
71.05006	0.4
71.53902	0.3
72.01713	0.5
72.99296	0.7
73.02936	1.3
81.72681	0.4
85.02917	0.9
87.00883	0.7
88.98775	0.6
89.02450	2.6
96.96014	0.5
99.00878	0.4
101.02402	2.3
102.98593	0.5
107.40702	0.4
108.02167	1.4
113.02444	1.4
113.95465	0.4
115.00355	6.0
116.00696	0.7
118.51202	0.4
119.03500	0.9
119.05013	1.2
133.01427	7.3
133.02943	1.2
133.05307	1.4
134.03786	2.4
135.04515	17.0
136.04890	1.8
137.02449	0.8
138.01979	2.4
139.11296	2.6
147.04485	1.8
148.05298	36.3
149.05803	1.7
150.03203	0.7
152.01138	2.3
153.09218	0.9
159.04498	0.5
161.02443	0.4
161.04559	1.8
175.02477	0.8
175.03909	0.5
176.03511	3.6
177.01901	1.5
177.04321	1.4
178.02579	1.0
178.05086	24.2
179.03464	4.0
179.05420	1.5
179.06946	0.4
180.03772	1.1
181.12338	1.2
183.10211	2.3
190.05069	8.4
191.05510	0.7
197.08203	0.8
199.13361	1.2
216.95493	0.4
225.11349	0.9
243.12344	12.9
253.08626	1.3
296.09247	0.7
297.10025	10.6
298.10391	1.0
312.12381	100.0
313.12778	7.5
314.07507	0.8
315.08667	0.7
339.08524	0.4
340.08984	0.6
359.13480	2.7
413.21729	1.3
414.22043	2.6
415.23105	1.0
447.11072	0.6
448.11667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.98039	0.6
57.03447	4.2
57.95683	0.4
59.01378	15.3
61.98819	2.6
69.03442	1.6
70.60319	1.2
71.01378	14.7
71.05029	0.5
72.99294	0.6
73.02941	1.5
81.97393	0.4
83.01389	0.7
83.05034	0.6
85.02946	1.4
86.00104	0.4
87.00861	1.0
89.02437	1.7
99.00862	0.5
100.38840	0.4
101.02419	2.3
111.08186	0.8
113.02437	1.3
115.00370	11.1
116.40055	0.4
117.75403	0.4
118.98057	1.2
127.11325	2.0
133.01433	2.4
134.03711	0.9
135.04497	1.3
137.09711	1.7
139.11288	1.8
153.12869	0.5
155.10768	2.4
169.12364	0.7
171.13876	1.8
178.02536	0.5
179.03490	0.7
197.15411	1.7
200.04788	0.6
201.15007	0.5
215.07176	0.6
255.15175	0.4
256.18280	0.4
265.21683	0.9
267.20609	0.5
267.23218	3.0
275.09247	0.7
293.21405	0.8
339.25516	0.6
357.26425	100.0
358.26819	7.6
401.08414	0.6
415.00714	0.5
428.19614	0.5
473.22977	0.6
473.27609	4.9
474.27698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	4.5
61.98818	0.9
63.62899	0.3
66.14973	0.2
71.01377	8.7
71.06600	0.6
72.99287	0.4
73.02943	0.5
79.95731	0.3
80.21278	0.3
87.00861	0.9
89.02473	0.3
96.11307	0.3
96.96036	0.4
101.02445	0.4
115.00368	8.2
120.99635	0.3
121.02937	0.4
130.01018	0.2
133.01419	1.0
133.02969	0.5
134.03770	0.4
135.04552	0.5
139.11261	1.4
155.14403	0.3
169.12289	0.4
171.10286	0.3
177.01842	0.3
179.03452	0.3
185.11758	0.5
186.65657	0.3
187.07690	0.5
199.13313	0.2
201.05650	0.3
209.11620	0.3
215.07167	0.8
297.24451	0.4
309.24329	0.6
311.22235	3.6
312.22650	0.4
327.25397	2.5
339.25308	1.2
357.26419	100.0
358.26797	8.6
365.41205	0.3
473.27426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27248	0.4
59.01377	6.7
61.98827	100.0
64.92313	0.3
71.01389	1.9
71.51641	0.3
71.52091	0.8
71.59023	0.3
72.80024	0.4
72.95872	0.3
73.02943	0.5
86.02466	0.5
89.02456	0.5
91.40793	0.3
96.08189	0.4
96.96014	1.0
97.18758	0.3
98.00437	0.4
102.10875	0.3
115.00358	0.7
120.99645	0.5
124.22729	0.4
129.23727	0.4
133.01404	0.8
135.04539	1.3
148.05305	25.4
149.05640	0.9
159.19559	0.3
161.04611	0.4
163.07643	32.1
164.08057	1.0
179.03418	0.5
220.71439	0.4
222.00165	0.4
237.18539	0.7
243.12312	0.4
257.21207	1.6
285.20633	0.4
303.21854	0.6
344.24622	0.7
359.24500	0.6
382.29663	0.7
430.31680	1.6
474.24744	0.6
474.30701	13.5
475.30481	1.1
496.12717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54075	0.4
59.01378	100.0
60.01723	0.7
61.98827	1.6
65.91708	0.4
69.27505	3.4
69.27918	0.9
71.01386	1.6
78.95902	0.5
80.80150	0.4
83.17227	0.5
96.57471	0.4
98.20735	0.9
109.23537	0.4
115.00459	0.5
125.37363	0.4
134.03758	1.3
135.04552	1.8
139.37619	0.4
142.36356	0.5
153.07115	0.5
185.37433	0.5
357.17181	1.5
473.32892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12752	0.3
57.02277	0.2
57.53936	0.2
57.63635	0.3
59.01377	100.0
60.01712	0.6
61.98835	1.2
71.01383	4.7
71.52225	0.4
73.02960	0.7
85.02963	1.0
87.00892	0.3
89.02435	3.4
96.96008	0.8
101.02444	2.0
101.03024	0.3
108.02159	0.5
113.02449	1.8
115.00379	0.9
119.03504	1.4
133.01447	0.9
133.02992	0.7
135.04515	1.3
137.56387	0.3
143.03525	0.2
152.01144	0.7
161.04588	0.8
177.01823	0.4
179.03543	1.1
179.05598	1.3
191.05583	0.6
214.33014	0.3
215.14388	0.5
228.57083	0.3
267.07248	0.6
395.20935	0.5
405.73059	0.3
413.21616	1.7
447.11673	0.5
499.55969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27954	0.5
55.01889	0.7
55.38889	0.6
57.03448	1.2
58.00601	1.7
59.01377	100.0
60.01732	1.0
60.93282	0.6
61.98831	1.2
64.46325	0.7
69.03462	0.6
69.19167	1.9
69.19592	4.0
71.01379	26.5
72.99320	1.7
73.02936	4.3
73.23173	0.6
75.00907	0.7
83.01399	2.4
85.02943	7.4
87.00860	1.4
88.16690	0.6
89.02445	26.3
93.71696	0.6
95.01398	2.1
96.96017	2.0
99.00890	1.6
99.53175	0.6
101.02438	17.0
108.02174	0.8
113.02448	11.9
115.00386	4.1
119.03499	12.6
131.03535	1.4
133.01419	4.6
133.02956	2.3
135.04517	6.6
143.03505	3.2
149.04601	1.5
152.01170	1.2
159.03059	0.8
161.04559	5.9
177.01944	1.6
178.02676	0.8
179.03491	5.0
179.05585	10.7
179.10847	1.8
267.07379	1.1
383.07794	0.9
413.21771	18.7
413.27008	1.1
414.22501	1.2
429.17856	1.4
447.11395	1.8
473.17355	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
58.13329	1.5
59.01381	54.9
61.97888	1.1
61.98825	4.5
69.03433	1.4
69.42043	8.9
71.01381	26.4
72.99294	2.0
73.02952	11.6
83.01384	4.7
85.02955	8.0
87.00887	4.5
89.02434	3.6
95.01403	1.8
101.02445	12.5
113.02413	7.1
115.00371	3.0
119.03519	1.3
120.99614	1.8
125.02475	2.6
133.01428	3.2
133.02968	1.6
134.03717	1.6
135.04520	7.2
143.19138	1.1
161.04514	1.5
178.97397	1.2
179.03500	6.5
185.37982	1.0
188.35159	1.1
207.13840	3.9
225.14914	6.9
231.10146	1.4
248.83562	1.5
275.09290	2.3
334.29794	1.2
343.18921	1.4
357.22870	1.4
369.19278	11.8
387.20178	26.6
413.21231	1.8
419.63922	1.1
429.21259	100.0
430.21613	8.2
473.22626	2.7
474.30811	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
59.01378	100.0
61.98824	15.4
70.36896	3.0
70.37247	3.7
71.01374	28.3
72.34512	1.2
72.99295	3.8
73.02943	7.5
77.50178	1.5
83.01369	3.7
85.02516	1.3
85.02940	8.2
87.00872	3.6
89.02439	7.4
96.96011	6.2
99.00813	1.4
101.02441	11.1
106.06651	2.2
113.02412	7.4
115.00378	10.9
118.06656	2.1
120.01226	2.0
120.99646	1.7
125.02445	1.7
133.01459	12.9
133.02910	2.2
134.03752	4.0
135.04515	26.3
136.07643	3.3
137.02438	3.3
152.07112	4.1
161.04503	2.1
171.10205	1.8
178.02696	2.5
179.03513	15.5
180.06630	9.1
225.14961	7.6
275.09140	4.6
313.11810	4.7
357.10919	17.2
357.22430	2.2
358.11005	1.5
369.19116	9.8
385.20468	2.2
387.20157	23.6
388.20493	2.1
429.21210	54.6
430.21558	5.0
473.14145	2.2
473.23868	11.6
474.24561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46360	0.3
59.01374	3.5
61.98796	0.5
70.83781	0.5
70.84103	0.6
70.92545	0.3
71.01375	2.7
85.02988	0.4
89.02443	1.1
96.96013	1.0
98.95602	1.2
105.03471	0.4
107.05030	0.9
109.02903	0.4
111.34043	0.3
115.00386	1.4
116.35175	0.4
129.28592	0.3
133.01457	1.7
133.02962	1.5
134.03745	4.7
135.04523	100.0
136.04874	2.4
137.02455	1.3
147.04552	0.5
149.06073	0.5
152.01128	0.4
159.04492	0.7
161.02461	0.8
177.01906	0.6
177.05498	1.6
178.02724	1.0
179.03488	81.7
180.03841	2.8
188.00124	0.3
197.11743	0.5
220.66823	0.3
221.04559	0.8
240.40343	0.3
251.76973	0.3
278.06454	0.3
323.07733	1.5
339.05093	0.3
341.08728	7.4
396.42880	0.3
447.11569	0.6
455.50388	0.3
473.12967	67.6
474.13336	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	473.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20942	0.4
59.01374	1.1
59.92333	0.4
70.84605	1.0
71.01376	0.9
75.00864	0.5
75.12930	0.4
78.95918	0.5
79.84371	0.4
85.02920	0.5
89.02430	0.5
96.96021	2.5
96.96959	0.9
97.02967	0.7
98.95571	0.8
101.02426	0.5
107.05030	0.6
109.02946	11.0
111.00859	1.4
119.05049	0.4
128.03546	0.5
132.28864	0.4
133.02939	0.5
133.06592	0.4
134.03688	1.2
135.04514	28.5
136.04843	0.7
139.03979	0.5
143.05017	3.8
145.02927	0.5
145.06575	0.7
146.03735	1.3
147.04521	1.0
148.05264	1.0
149.04919	0.8
149.06062	11.9
151.03944	1.2
153.44684	0.5
158.03662	0.7
159.04491	2.3
160.05269	1.0
161.02480	0.7
161.06070	12.7
162.06413	0.7
163.03882	0.9
163.07655	1.0
164.04756	0.4
165.05554	1.1
171.04526	5.6
172.05223	0.6
173.05969	0.7
174.03156	4.4
175.04007	0.9
177.05557	22.3
178.05923	1.0
179.03482	17.8
180.03816	0.6
187.03992	0.8
188.04735	3.2
189.05551	100.0
190.05907	4.7
191.03362	0.8
201.05568	0.7
203.07086	0.9
207.06592	12.3
208.06918	0.8
216.72163	0.4
219.06596	1.7
221.04535	8.5
231.06567	4.0
233.04420	0.7
235.06033	0.7
239.05524	0.6
249.07564	2.7
251.05560	1.5
267.08731	1.1
274.70972	0.4
311.07687	17.8
312.08002	1.0
332.34332	0.4
341.08746	1.6
351.10834	8.3
383.09875	1.7
393.11978	0.8
395.09644	2.4
401.10956	0.6
413.11005	0.8
443.11978	1.2
455.11911	1.0
473.13058	17.4
474.13403	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
60.27373	0.2
69.62926	1.4
71.01376	2.1
72.99319	0.2
89.02444	1.9
93.03484	0.4
96.96006	0.2
98.19985	0.4
98.95575	0.3
102.08513	0.2
107.05029	1.0
108.02171	0.5
109.02919	0.6
111.00852	0.3
115.00370	1.2
121.02942	0.3
131.05055	0.3
133.01408	1.2
133.02943	0.9
134.03751	3.6
135.04517	93.8
136.04855	3.2
137.02415	0.8
139.03935	0.3
147.04521	0.3
159.04482	0.6
175.04031	0.3
177.05559	0.9
178.02713	2.1
179.03482	100.0
180.03825	3.1
221.04523	1.7
251.09290	0.3
269.08109	0.3
311.07660	1.6
323.07870	0.6
341.08716	6.9
342.09024	0.3
473.12967	50.4
474.13297	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	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19184	3.6
55.19171	4.7
59.01376	53.6
61.98833	30.2
69.22285	26.3
69.22692	9.6
71.01379	42.2
73.02944	16.9
75.06641	4.3
76.30439	3.9
85.02944	5.3
89.02438	19.0
90.41998	4.1
101.02441	11.9
113.02450	16.5
113.06059	3.8
119.03489	6.4
137.00395	4.9
139.07632	5.3
145.30788	4.2
162.83972	4.2
178.02754	9.2
179.03461	6.7
179.05603	6.1
241.15924	4.8
245.19205	19.8
249.18550	100.0
250.18875	8.9
254.81503	4.1
263.20108	59.1
271.30283	5.7
273.18594	11.4
291.19571	34.4
321.20575	5.4
471.13013	6.8
471.34732	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	472.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01377	45.6
64.41904	0.9
69.69669	3.7
71.01375	30.3
72.99305	2.2
73.02957	1.8
82.87289	0.9
85.02957	4.9
86.36740	0.8
87.00875	2.3
89.02438	48.5
90.97086	0.8
95.01377	2.1
96.96018	1.3
101.02440	18.0
113.02440	15.1
119.03496	15.6
130.08733	46.9
131.03535	1.8
131.09082	1.8
135.04556	4.5
143.03476	5.0
149.04570	1.2
161.04526	5.8
179.03578	2.8
179.05608	23.0
186.99284	1.3
189.05467	1.1
242.98154	1.5
304.98407	1.3
332.98138	1.1
341.10855	100.0
342.11179	5.9
472.04053	2.2
473.12875	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01376	100.0
60.01725	1.0
60.83807	0.7
61.98825	3.3
63.19984	0.7
70.02573	3.0
71.01377	36.8
72.99303	1.4
73.02950	3.8
75.00855	1.0
81.03455	1.6
82.89953	0.7
83.01379	2.5
83.05022	9.2
84.05354	1.8
85.02940	5.4
87.00896	1.5
89.02438	17.1
95.01380	1.5
95.05047	0.7
96.96021	1.8
99.00855	1.4
101.02430	11.6
101.06102	1.3
105.03454	1.0
108.02183	3.3
109.02947	18.3
113.02438	8.8
115.00361	42.4
116.00743	1.0
119.03503	7.7
119.05003	5.1
121.02984	2.7
123.04546	1.6
125.02453	1.7
127.03989	0.7
127.14024	0.7
128.03549	2.5
129.03429	6.4
130.04207	0.9
131.03494	1.5
131.07155	0.9
133.01416	14.1
133.02930	4.4
134.03728	1.6
135.04512	11.1
137.02466	3.0
139.07661	1.7
142.08804	0.9
143.03488	1.2
145.02946	7.5
145.05084	2.4
146.03751	5.0
147.04507	89.0
148.04813	4.0
152.01147	4.0
157.08691	2.2
158.03705	1.5
158.08987	1.1
159.04512	13.3
161.02477	0.9
161.04558	6.6
161.09694	1.5
174.11449	1.1
177.01895	2.4
178.02748	1.8
179.03529	7.9
179.05571	6.7
179.10756	4.3
188.09277	1.9
197.11819	1.7
199.09801	0.9
224.04823	0.7
228.99458	0.8
229.01285	3.7
242.14001	1.2
249.05574	1.0
251.07158	0.9
251.16757	1.2
252.04124	1.0
253.05048	7.7
254.05458	0.9
267.06824	3.3
269.08136	32.4
270.08578	2.8
277.05145	1.8
294.05219	0.7
295.06198	2.6
297.04086	2.8
312.12613	1.1
313.07147	35.0
314.07599	2.4
339.05075	5.4
356.20840	7.8
357.06183	1.2
357.21173	10.5
383.07770	1.7
400.78519	0.9
413.21799	15.0
431.15762	2.4
431.22943	4.8
447.11487	2.8
455.16483	0.8
473.07187	4.1
473.12936	1.2
473.16412	1.1
473.23160	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	471.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	1.4
59.01375	51.9
61.98823	10.3
66.03494	1.0
70.02966	1.4
71.01377	20.9
72.99292	1.9
73.02946	8.5
75.00848	1.1
78.35483	1.0
81.02186	3.1
82.02975	1.9
82.06635	1.9
83.01372	3.8
85.02936	2.3
87.05636	41.6
88.81193	1.0
89.02431	4.4
96.00894	9.4
96.95994	5.5
97.06578	1.1
98.02472	26.9
101.02436	12.4
109.01734	5.1
109.02920	1.5
111.05629	2.9
112.07665	1.4
113.02421	4.6
114.01936	1.9
115.00371	5.6
119.03539	1.4
129.06702	32.8
130.08727	41.8
131.09023	1.2
133.01404	4.5
135.04492	4.1
138.09248	21.8
139.08743	5.4
140.07162	4.6
143.03453	1.4
149.04475	1.7
152.07146	1.6
161.04541	3.5
161.09686	1.0
164.09555	2.5
165.10347	1.2
166.08716	14.4
168.10265	2.5
179.03406	2.6
179.10713	1.5
191.05539	1.5
210.07634	3.5
211.13501	1.1
225.16116	8.2
229.16591	1.0
233.16693	5.6
235.18105	8.4
236.11665	2.2
236.16435	1.3
243.17050	4.3
245.32719	1.1
249.14987	2.1
253.19270	1.2
261.16019	10.2
267.06824	1.2
279.17139	7.9
323.16083	100.0
324.16342	6.7
341.17126	4.3
453.23508	71.2
454.23727	6.8
471.24719	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	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71339	0.3
55.91646	0.3
56.30189	0.3
57.03445	1.3
59.01376	100.0
60.01707	0.6
61.98824	2.7
69.42154	0.7
69.42567	1.5
71.01373	8.7
72.24906	0.3
72.99330	0.4
73.02940	0.9
79.95734	0.3
83.01410	0.5
83.65305	0.3
84.20300	0.3
85.02928	0.8
87.00880	0.6
87.76395	0.3
89.02432	0.8
96.96011	1.1
101.02457	1.4
113.02469	0.6
115.00364	3.9
119.05045	0.7
125.02368	0.5
133.01413	2.9
135.04544	1.6
136.57811	0.4
137.09682	0.7
145.02977	0.4
161.04564	0.5
163.04033	0.4
177.01939	0.4
179.03522	0.8
192.11697	0.7
201.11342	0.5
203.05608	2.2
207.13882	6.4
208.81744	0.3
209.11819	0.7
211.13432	0.6
249.14902	0.9
255.10326	1.8
256.10767	0.8
355.17395	0.6
471.13531	0.5
471.20862	1.1
472.17636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34615	1.0
55.01863	1.2
57.03437	2.5
58.00584	1.9
58.02978	1.5
59.01376	100.0
61.98824	8.7
69.03445	2.0
69.68852	3.5
69.69260	1.9
70.03002	2.5
71.01377	44.6
72.99313	2.3
73.02941	52.8
79.95738	1.1
81.02194	3.9
81.03448	1.3
82.02966	2.2
82.06602	1.9
83.01382	14.8
85.02948	4.2
87.00874	2.5
87.05630	45.2
87.06164	2.5
89.02427	10.2
95.01406	1.3
95.04918	1.1
96.00909	13.0
96.95992	3.9
97.06570	2.2
98.01827	1.3
98.02475	25.4
99.04510	1.3
101.02441	44.7
109.01733	6.6
109.02968	2.9
111.05620	3.1
113.02438	13.3
113.06086	4.1
114.01945	2.6
115.00371	6.2
115.40215	1.2
119.03498	4.2
124.05286	2.4
129.06705	38.3
130.08743	44.6
131.03510	4.4
133.01425	4.0
135.04530	3.5
136.96721	1.0
137.02441	1.3
138.09254	21.3
139.07695	2.0
139.08754	8.1
140.07185	4.2
143.03503	3.7
149.04572	4.2
152.07121	1.5
161.04579	8.8
161.09663	5.9
164.09428	2.2
165.10251	1.3
166.08730	16.5
168.10310	1.7
175.24672	1.0
177.02008	1.5
179.03529	2.5
179.10756	7.5
197.11845	3.9
203.05495	1.3
204.09052	1.8
209.09288	2.1
210.07736	2.5
210.67046	1.2
221.06674	1.4
225.16078	9.5
233.16580	4.9
235.18143	7.5
236.11632	1.3
243.17154	2.0
244.28325	1.1
249.14963	3.2
251.06488	1.0
261.16071	9.9
267.06683	1.4
279.17105	9.0
311.05804	1.2
323.16089	99.7
324.16418	8.7
337.28134	1.0
341.17047	3.1
356.20621	2.2
417.77228	1.1
453.23486	68.5
454.23782	8.4
471.18597	1.3
471.24673	17.6
472.25000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
59.01377	16.0
61.98826	3.0
62.30975	1.2
70.79042	1.2
70.79387	2.6
71.01378	11.9
71.55373	1.1
72.99310	2.9
73.02926	4.4
78.98586	2.7
79.05525	3.5
79.95736	3.9
80.96508	20.3
81.03445	4.0
83.05029	5.3
85.02938	2.1
87.00862	1.6
89.02451	1.2
94.98067	3.7
95.05016	4.6
96.96015	5.4
97.02940	1.3
99.04525	2.2
101.02434	6.8
105.03507	1.2
113.02419	1.9
115.00360	6.0
121.06596	1.6
123.04531	4.0
125.02437	16.3
128.03503	2.5
133.01454	8.9
133.02887	1.4
134.97626	1.9
135.04546	1.9
137.02438	2.2
137.09714	1.2
139.07747	1.1
143.03450	1.5
145.04997	1.1
148.99086	2.3
150.98289	1.1
151.11246	1.8
152.98589	2.8
159.08174	1.3
161.04582	1.9
161.09703	28.7
164.08408	5.0
164.98598	4.0
171.10309	2.5
177.01871	1.4
179.03497	2.4
179.10760	100.0
180.11073	4.1
180.31175	1.1
187.02423	9.7
188.04829	1.3
189.05595	1.3
193.05006	3.0
205.05075	1.5
205.12294	2.6
207.06650	1.4
225.00694	6.6
231.13564	1.2
249.07919	1.4
267.06665	1.3
268.81784	1.2
281.10300	4.3
299.04657	1.9
355.04468	2.3
356.20996	2.5
430.40417	1.3
471.08859	2.1
471.15359	41.9
472.15692	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	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19797	1.4
57.03436	3.9
57.46381	1.4
59.01372	26.1
61.98818	5.7
70.03856	5.9
71.01381	18.6
71.05025	2.3
72.99300	2.1
73.02950	4.1
78.95909	7.5
79.95737	1.5
80.96500	7.0
81.03456	4.6
82.56972	1.5
83.05029	22.0
85.02956	5.5
87.00887	2.2
88.98796	1.9
89.02448	4.1
91.63529	1.5
92.74677	1.5
95.05029	7.8
95.49458	1.4
96.95998	7.7
99.00870	2.9
99.04533	1.7
101.02427	4.7
101.06051	3.2
106.06644	1.8
108.94130	1.4
113.02433	4.7
115.00368	12.7
121.06578	2.0
122.06889	1.4
123.04503	3.0
125.02420	12.4
127.04018	2.6
128.03511	3.0
131.07143	2.0
133.01439	11.8
133.02925	2.5
134.03772	2.2
135.04514	4.9
135.08174	2.0
137.02420	2.2
137.09674	2.5
139.07640	2.4
143.03473	1.7
143.10768	1.6
145.05017	6.6
149.02400	1.5
149.06120	1.5
149.09778	1.5
151.11299	1.9
152.99577	4.6
155.11568	1.3
156.67154	1.4
157.08696	4.8
159.08125	2.8
160.01634	4.8
161.02467	1.6
161.04497	2.4
161.09714	30.7
162.09959	1.8
164.08388	4.9
164.98619	2.8
171.10310	1.5
174.11375	1.8
175.03970	5.8
177.01738	1.7
179.03462	3.9
179.10765	100.0
180.11072	3.0
181.12329	1.7
187.02536	7.5
188.09274	3.5
189.05449	1.4
190.09843	2.0
193.05038	5.5
205.12314	16.1
207.10197	3.8
223.13455	6.8
225.11372	5.6
235.05962	1.9
242.14032	2.3
243.12445	2.4
249.15080	6.3
266.06573	2.0
295.08182	1.6
337.03723	1.7
338.19699	2.6
355.04749	3.9
356.20761	31.2
397.11392	5.3
404.49161	1.4
411.20178	5.1
455.12427	1.8
471.09482	1.7
471.15744	32.8
471.27896	1.3
472.15768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72186	0.9
59.01375	8.5
61.98816	2.0
71.01377	28.1
71.52602	1.4
72.99291	3.6
73.02940	2.0
80.96518	1.4
85.02930	1.2
87.00880	1.8
89.02448	3.7
96.95993	3.7
97.06584	2.1
100.93010	1.0
101.02422	2.3
102.48481	1.0
103.28809	1.0
106.83217	0.9
113.02406	2.0
115.00366	51.3
118.11076	1.1
123.08159	33.1
127.27892	0.9
133.01425	100.0
133.51338	0.9
134.01761	1.7
134.03769	1.0
148.10793	0.8
159.04456	1.8
172.05278	2.3
174.06863	1.2
186.06770	1.0
187.07635	29.1
188.07932	1.4
201.09198	3.4
211.13408	1.8
213.09192	2.1
291.19656	3.1
309.20746	2.4
311.16525	11.6
312.16675	1.6
355.15475	11.9
355.24939	8.9
356.15762	1.2
471.16452	1.4
471.26218	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34411	2.7
53.94275	3.3
59.01375	100.0
61.98825	5.4
63.44184	2.7
64.05664	3.1
69.03421	2.9
70.21569	12.0
71.01378	62.1
73.02943	78.9
83.01394	18.0
85.02933	4.1
87.00851	3.6
88.07499	2.5
89.02431	7.9
90.04579	2.9
93.03443	3.7
96.95990	3.2
101.02435	59.0
102.05613	2.8
107.08678	3.4
107.38083	2.7
113.02443	12.8
114.79131	2.6
115.00345	10.6
116.18828	2.8
131.03461	4.1
133.01407	6.3
135.04495	4.5
143.03523	2.9
161.04515	14.6
161.13324	10.2
163.22459	2.8
205.12309	48.3
209.11661	3.3
278.06161	4.3
283.13504	4.5
385.18600	6.2
427.19641	71.2
428.20044	6.7
471.21732	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30243	0.8
52.89957	0.8
53.56915	0.7
54.49225	0.9
56.70299	0.7
57.03432	0.9
59.01111	1.1
59.01382	13.6
61.98823	3.7
63.32769	0.7
65.17883	0.8
67.17925	0.8
69.03458	0.9
70.39621	0.8
71.01378	28.5
71.04993	0.8
72.01687	0.8
72.99297	4.5
73.02948	12.5
74.76374	0.8
85.02947	0.9
87.00852	1.5
89.02437	4.1
93.03439	1.6
95.05015	2.0
96.19521	0.8
96.95996	4.8
97.06571	2.3
98.20780	1.5
101.02431	2.7
102.98583	1.1
105.07074	3.6
109.02962	0.8
115.00367	53.6
119.03571	1.1
123.07263	1.2
123.08154	24.6
133.01424	100.0
134.01753	2.0
135.04517	2.6
135.08167	2.0
139.52136	0.8
145.01410	1.6
147.04495	3.4
158.03712	1.4
159.04507	1.9
161.06071	0.9
172.05260	2.4
173.06061	1.3
175.07623	1.3
177.01891	1.1
177.09262	1.9
185.06010	1.5
186.06790	1.0
187.07637	32.3
188.07907	0.8
195.51395	0.8
199.38393	0.8
201.09258	4.4
211.13321	1.9
213.09077	3.9
219.21492	0.9
226.06271	0.8
228.08218	1.0
239.07072	1.0
243.12172	0.9
282.12375	1.1
311.16489	9.4
337.23828	1.2
355.15485	32.3
355.24823	35.6
356.15845	3.0
356.25153	2.0
408.41861	0.9
471.16418	0.9
471.22903	2.9
471.24649	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	471.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01372	10.0
61.76552	1.3
61.98818	4.6
71.01380	50.9
71.51878	1.2
107.04990	1.7
111.21293	1.5
114.15629	1.5
115.00374	18.4
133.02950	4.3
134.03731	65.1
135.04536	40.9
136.04913	2.0
159.11855	3.0
163.04037	2.6
177.01927	2.3
177.11478	2.0
177.12846	24.4
178.02696	3.1
179.03465	2.6
211.61850	1.3
214.24419	1.4
316.25589	1.4
340.16544	1.8
355.15460	100.0
356.15833	6.6
471.25192	1.4
471.31073	28.1
472.31454	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	471.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96788	0.8
59.01379	17.3
61.98817	5.5
65.32469	0.9
71.01377	23.6
71.52175	1.0
72.99302	3.7
73.02943	1.8
73.21844	0.8
76.80180	0.7
79.95720	1.1
83.44683	0.7
87.00870	0.8
89.02448	3.4
91.77939	0.7
96.95995	8.5
97.06586	2.3
101.02448	3.3
102.98591	3.2
105.07104	1.8
111.08122	1.2
113.02422	0.9
115.00372	45.0
123.07256	1.4
123.08157	23.0
129.01945	2.0
133.01421	100.0
134.01788	1.5
135.04535	1.0
137.09805	0.9
140.20201	0.8
146.33209	0.8
152.73094	0.8
159.04451	1.4
172.05240	1.3
173.06027	1.2
177.01944	1.0
178.02657	1.8
179.03445	1.7
185.01630	0.8
187.07631	24.6
188.08098	1.0
201.09251	1.3
213.09143	2.8
225.09167	0.8
239.10664	0.9
256.99725	0.9
267.13763	1.4
282.12595	1.3
311.16562	9.2
355.15527	9.5
355.19604	1.0
355.20441	1.4
355.24857	18.2
356.25156	1.3
471.22476	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	471.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
59.01618	0.6
61.98817	6.2
69.44299	3.0
69.44701	1.5
70.66963	0.7
71.01378	50.1
72.01258	0.7
107.05024	1.7
108.86049	0.6
113.02447	0.7
115.00368	15.4
119.05005	1.5
125.11050	0.6
133.02930	2.9
134.03734	66.7
135.04530	38.2
136.04860	1.7
137.02455	1.4
159.11740	1.5
162.03194	0.9
163.03961	2.1
177.12845	24.7
178.02736	6.0
178.13354	1.1
179.03479	3.2
355.15469	100.0
356.15891	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	471.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	31.9
61.98833	4.9
69.29501	6.5
71.01376	52.6
73.02938	1.9
89.02420	1.0
96.96004	1.3
101.02440	1.1
105.03468	1.0
107.05005	1.5
115.00364	14.9
115.35431	0.8
119.04965	1.5
133.02948	6.9
134.03732	64.6
135.04526	43.9
135.08119	1.1
135.49080	0.9
137.02423	4.9
143.10780	1.6
159.11778	2.5
162.03212	0.9
163.04002	5.0
177.01933	8.5
177.12830	23.4
178.02698	23.6
178.13194	1.5
179.03462	6.7
241.34163	0.8
281.03989	0.8
291.19440	1.4
297.11151	2.0
309.20615	2.1
318.86542	0.9
355.15472	100.0
356.15744	6.7
411.27521	2.6
446.19901	0.8
471.24069	1.0
471.30753	1.9
475.02625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02679	1.1
59.01365	5.0
61.98826	16.8
71.01379	60.4
71.51806	1.9
71.96834	1.1
71.97256	1.1
96.96013	1.2
104.03950	1.3
105.03442	1.3
107.05045	1.3
107.97948	1.2
115.00366	17.1
120.03114	1.4
133.02939	9.6
134.03735	73.2
135.04524	40.5
136.04829	1.9
137.02443	8.0
139.03952	1.6
150.03188	1.3
159.11768	2.1
162.03238	4.8
163.04015	3.0
177.01923	13.2
177.12848	22.6
178.02707	33.9
179.03487	9.9
223.02286	1.3
234.47632	1.2
241.31610	1.2
316.24008	1.4
332.98782	1.5
355.15485	100.0
356.15976	8.9
359.44070	1.1
362.94220	1.2
407.33072	3.2
453.30573	1.9
455.69046	1.4
471.30389	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	470.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12646	0.8
53.76415	1.0
56.37149	0.8
59.01366	2.8
59.35128	0.8
61.98827	100.0
62.09001	0.8
71.01382	5.4
79.95746	0.9
84.72292	0.7
98.19842	1.3
105.61122	0.7
115.00374	1.4
124.02425	0.8
125.92149	0.7
133.02933	1.0
134.03706	3.9
135.04489	3.9
137.02466	1.6
177.01878	2.0
177.12881	1.3
178.02669	1.5
179.03488	1.5
210.80907	0.8
215.31236	0.9
229.12462	1.0
327.79523	0.9
355.15344	4.0
471.30978	5.5
487.43411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78276	0.2
53.71648	0.2
71.09233	0.2
79.95368	0.1
79.95733	5.5
96.96003	100.0
97.95959	0.3
110.97626	0.3
132.69839	0.2
137.02440	0.7
151.04007	0.3
164.04713	0.3
184.90584	0.2
201.05521	0.2
237.43272	0.2
240.04323	1.2
241.04674	0.2
259.67841	0.2
265.05096	0.2
283.06079	0.7
285.07523	0.4
298.08423	1.0
299.09213	0.2
313.10910	0.5
343.11765	0.2
471.09613	46.7
472.09976	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	471.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98816	0.4
64.69932	0.2
69.50389	1.3
71.01374	0.9
73.02958	0.4
79.95735	5.4
89.02461	0.2
95.95204	0.3
96.96008	100.0
97.95943	0.3
101.02455	0.4
110.97569	0.4
115.00348	0.4
125.58025	0.2
128.03471	0.2
133.01407	0.6
135.04495	0.2
137.02446	0.4
151.04012	0.3
160.04037	0.5
164.04681	0.2
177.05569	0.3
225.11275	0.3
240.04283	1.0
252.20152	0.2
283.06125	0.6
285.07770	0.3
298.08511	0.7
299.09479	0.3
313.10742	0.4
411.18698	0.9
471.09641	45.4
472.09891	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	471.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84455	0.2
54.78945	0.2
56.24362	0.2
59.01376	1.2
61.98818	1.3
71.01375	1.8
71.06310	0.3
71.06686	0.2
72.99293	0.3
73.02945	0.2
79.95735	2.6
80.96516	1.6
85.02968	0.2
90.34802	0.2
90.79373	0.2
92.30880	0.2
93.03436	0.2
94.21941	0.2
96.96005	100.0
97.95898	0.2
99.04503	0.3
101.02428	0.5
113.02457	0.3
115.00388	1.0
116.45483	0.2
125.02457	1.2
128.03526	0.5
130.21695	0.2
133.01407	1.8
133.02948	0.3
135.04498	0.5
137.02443	0.3
143.03416	0.2
149.02339	0.2
152.98636	0.2
157.74080	0.2
159.85812	0.2
163.04044	0.2
175.04089	0.2
177.01918	0.2
179.03410	0.4
187.02533	0.8
188.04803	0.2
189.05489	0.2
193.05031	0.3
203.07132	0.2
207.06677	0.3
225.00835	0.4
229.08995	0.2
240.04314	0.3
249.07713	0.2
256.64307	0.2
281.10184	0.5
293.04645	0.2
298.08487	0.2
311.05667	0.4
313.10712	0.2
313.57742	0.2
337.03497	0.6
355.04846	0.3
471.09607	26.3
471.15427	2.6
471.28217	0.6
472.10110	1.9
472.22162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42766	1.2
56.22800	1.5
57.03444	1.7
59.01379	26.3
61.98825	5.5
70.99374	1.9
71.01377	42.4
71.05013	2.1
73.02948	16.9
75.07088	1.3
76.81194	1.1
79.77278	1.2
83.01405	4.0
83.05022	3.7
85.02930	1.9
85.06584	3.1
87.04523	2.4
89.02441	2.3
89.94987	1.4
91.26534	1.3
95.05045	1.6
96.96009	6.6
97.06569	10.4
99.08175	7.2
101.02435	11.1
109.06586	1.7
113.02437	3.4
115.00370	18.9
122.06133	4.8
133.01445	9.3
133.02968	4.3
134.03760	1.6
135.04547	1.4
139.04004	2.3
139.11255	10.2
141.12839	4.2
151.11278	9.4
152.07188	7.2
167.10678	2.1
168.11560	1.3
169.12325	10.8
177.01927	1.8
178.02690	4.3
179.03482	2.2
180.11578	1.7
191.14415	1.7
198.12619	4.6
211.13449	2.0
216.10300	4.0
222.80400	1.3
247.17009	5.9
249.18575	1.4
260.12827	3.5
265.18073	4.4
291.23447	1.5
309.24332	23.9
310.24951	1.6
353.23300	100.0
354.23724	10.6
409.22455	2.3
427.23270	6.3
469.19171	6.0
469.25214	24.9
470.24850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03431	1.5
58.00593	1.5
59.01376	100.0
61.98829	3.0
69.03436	1.7
69.93484	4.8
71.01380	62.9
72.01710	0.9
72.99303	13.3
73.02943	67.8
75.00867	5.1
83.01382	19.9
85.02956	5.5
87.00873	3.7
89.02451	11.8
89.50060	0.9
95.01368	1.6
96.96005	3.7
97.02979	1.5
97.06645	1.3
99.00893	3.0
101.02441	59.3
109.46529	1.0
113.02452	14.3
115.00368	7.5
115.92025	0.9
117.01925	1.5
119.03494	5.7
125.02425	3.4
131.03503	5.0
133.01402	9.6
133.02913	2.4
134.03716	1.1
135.02995	12.5
135.04515	1.6
143.03491	4.4
149.04546	5.7
149.13406	1.3
155.03505	3.1
159.23546	1.0
161.04556	9.2
168.96030	0.9
169.66385	1.0
177.01898	2.1
178.02724	2.2
179.03465	1.2
179.05566	1.3
179.53119	1.1
195.10303	1.1
203.05714	1.1
203.18054	4.4
242.73570	1.0
244.13054	1.1
247.17012	45.8
248.17406	2.9
249.18558	1.6
265.12534	1.7
265.18045	12.2
285.32013	0.9
309.15021	3.3
353.23291	6.0
395.14005	1.2
408.47522	1.0
409.22476	3.7
419.99109	0.9
427.23392	12.4
469.24484	68.8
470.24881	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	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03449	1.4
58.00597	1.5
59.01379	73.6
60.01703	0.8
61.98825	1.9
64.58965	0.5
69.03452	1.3
71.01381	50.9
72.01738	0.9
72.99308	2.3
73.02945	59.8
75.00880	0.9
83.01383	17.8
85.02946	6.3
87.00883	4.0
89.02440	9.0
95.01389	1.8
96.95993	1.4
97.02956	1.2
99.00883	1.2
99.04509	0.8
99.39614	0.6
101.02440	48.3
102.02758	1.1
106.96667	0.6
113.02448	12.3
115.00358	3.5
119.03498	4.3
125.02445	2.0
131.03482	3.2
133.01437	3.3
133.02969	1.4
134.03752	0.7
135.04492	0.6
135.97972	0.5
143.03491	3.2
149.04568	2.8
149.13359	2.0
155.03505	1.5
155.07196	0.6
161.04552	7.7
175.14865	0.5
177.01918	0.8
178.02739	1.1
203.18024	6.8
236.36415	0.6
247.17014	40.5
248.17204	2.7
249.18546	4.6
265.18073	1.9
276.89771	0.7
306.39081	0.6
309.14896	1.0
353.23270	2.5
386.67542	0.6
409.22311	4.9
427.23334	12.8
428.23624	1.0
469.24420	100.0
470.24814	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	469.0808
Annotation	CHEBI:91206
Peak:m/z	Relative Intensity
58.41751	0.2
59.01364	0.7
61.98812	0.9
69.44051	1.5
71.01371	0.8
79.95734	5.0
85.02982	0.2
93.03424	0.3
96.96006	100.0
97.95975	0.3
98.20634	0.4
101.02436	0.3
108.02161	0.2
109.02943	0.4
110.97571	0.4
115.00324	0.5
123.04543	0.2
133.01372	0.9
134.03694	0.3
135.04535	0.6
137.02435	0.8
139.79680	0.2
151.04112	0.2
153.01884	0.5
162.03244	0.2
165.05505	0.4
174.03224	0.4
189.05540	0.3
191.05571	0.4
193.62352	0.2
215.54358	0.2
228.46907	0.2
241.05127	0.3
245.01172	0.2
257.08109	0.7
263.03592	0.2
281.04547	0.4
293.04404	0.3
296.06915	0.3
297.07715	0.4
299.05612	0.3
311.09274	0.5
314.07758	0.3
324.44934	0.2
329.10291	0.7
341.10391	0.3
344.09036	0.2
359.11511	0.3
389.12387	0.3
439.06995	4.9
440.07401	0.4
469.08038	34.8
470.08282	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	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01373	9.0
61.98824	4.7
69.03451	1.0
71.01377	35.7
71.05015	2.0
72.99302	1.3
73.02936	2.9
83.05032	3.8
85.02943	1.9
85.06596	2.2
87.04519	3.0
96.45596	1.0
96.96001	4.2
97.06598	7.2
99.04531	1.2
99.08147	6.1
101.02435	2.5
101.06079	4.6
109.06569	2.0
111.08188	1.9
115.00372	16.5
117.01913	1.0
122.06107	1.2
125.09727	1.6
133.00533	1.7
133.01408	7.5
133.02959	3.5
134.03719	2.7
135.04532	2.9
137.02492	1.9
139.11302	9.8
141.12875	3.5
146.08240	3.2
151.11296	7.8
153.09108	1.0
159.04541	1.1
167.10764	1.0
168.11586	2.1
169.12334	10.3
173.95685	1.1
177.01918	1.2
178.02682	7.0
179.03441	2.4
183.08144	1.1
183.13904	2.4
198.12605	4.1
209.11885	3.1
211.13443	1.8
243.40906	1.3
251.20145	4.2
262.63281	1.2
277.12311	2.9
281.11670	1.5
281.14862	1.2
291.23157	1.4
309.15067	2.7
309.24335	19.4
310.24695	1.4
353.14255	5.4
353.23300	100.0
354.23590	8.4
415.10278	1.9
469.21082	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
59.01373	4.1
61.98825	100.0
67.01880	0.7
70.34935	0.5
71.01379	3.7
73.07649	0.2
80.58018	0.2
83.01408	0.3
83.05000	0.3
85.02951	0.8
87.00874	1.7
89.02457	1.2
93.03447	5.2
94.03797	1.9
96.95992	4.6
96.96532	0.4
98.19960	0.4
99.00887	0.4
101.02458	1.3
108.39900	0.3
111.04536	0.7
113.02444	0.7
115.00400	0.8
119.03516	0.3
129.01953	0.3
133.01453	1.1
133.02995	0.8
134.03720	1.0
135.04312	0.5
137.02388	0.4
143.03442	0.4
155.03638	0.3
168.07904	0.5
173.04543	2.8
174.04858	1.4
177.01984	0.6
178.02667	0.7
179.03305	0.5
191.05566	2.2
192.05949	0.7
220.77795	0.3
294.10577	0.5
336.84656	0.3
386.71570	0.5
402.57816	0.3
439.23349	1.8
450.14825	3.1
468.10120	0.4
468.15784	3.2
469.24420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.5
59.01379	7.7
61.98827	100.0
67.01882	1.2
69.03448	0.4
69.40457	0.5
71.01376	6.8
71.51134	0.6
72.99303	0.4
73.02906	0.4
76.22406	0.4
83.01420	0.5
85.02953	1.1
87.00883	1.8
87.04526	0.6
89.02437	2.9
90.02794	0.4
93.03457	5.1
94.03791	2.7
95.01390	0.4
96.96013	2.2
99.00920	0.5
99.42597	0.4
101.02453	1.8
111.04525	0.8
113.02458	2.0
115.00401	1.2
119.03512	1.5
133.01389	0.8
133.02965	1.6
134.03764	1.3
135.04480	1.3
137.02484	0.5
143.03490	0.4
161.04576	0.4
173.04547	3.9
174.04924	1.6
177.01949	1.7
178.02621	0.6
178.09590	0.5
179.03328	1.1
179.05739	0.5
191.05655	1.2
192.06056	0.7
192.54364	0.4
225.15028	0.5
243.16074	1.4
252.91771	0.4
288.16974	0.9
294.10742	0.6
405.21265	12.9
406.21826	1.2
414.24548	0.4
450.14819	5.1
468.15744	5.1
469.16867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30902	0.3
59.01371	0.9
61.98827	100.0
63.18683	0.3
71.01376	0.8
71.52222	0.6
72.43972	0.3
83.18667	0.3
99.05663	0.3
111.42548	0.2
115.00375	0.3
133.01457	0.4
194.58043	0.3
213.28572	0.3
255.95010	0.4
353.13980	0.4
468.29535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
61.98500	0.3
61.98824	6.2
67.16255	0.2
71.01375	3.2
71.51002	0.3
72.99294	0.5
78.95879	0.3
79.95727	3.1
80.96516	1.2
85.02949	0.8
87.00867	0.6
89.02441	1.0
95.95236	2.0
96.96008	56.3
97.02906	0.3
99.04524	0.5
101.02444	1.6
113.02456	0.5
115.00384	2.4
116.00677	0.4
119.03477	0.4
122.97637	0.6
125.02438	3.1
133.01430	3.8
134.01859	0.3
138.97067	1.1
145.01428	0.6
150.97073	1.2
152.98674	0.3
164.98654	0.4
175.02448	0.6
177.04019	0.7
180.98080	0.6
187.02495	1.2
190.98235	0.3
191.05550	1.4
198.99149	0.5
211.86472	0.3
225.00790	0.6
241.00200	3.3
256.99686	1.4
259.01102	0.3
268.03497	0.3
361.06711	0.3
386.59558	0.6
408.58795	0.8
409.11746	12.9
410.11963	0.7
467.15866	100.0
468.16177	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	467.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.01377	100.0
60.01716	1.2
61.98819	3.9
65.60548	0.8
71.01376	12.3
71.05992	1.7
72.99284	1.3
73.02937	3.3
78.98425	1.0
83.01366	2.1
85.02941	6.8
87.00854	0.9
87.04507	1.3
88.42030	0.9
89.02443	12.0
101.02410	1.8
112.01627	1.2
113.02420	3.3
128.30350	0.8
148.47607	0.9
151.04010	1.1
152.99593	1.0
196.37981	0.9
203.14348	1.2
275.20148	2.8
289.18225	2.1
309.10278	2.3
331.18900	1.5
345.85480	1.1
349.20142	12.0
377.28128	1.1
389.23276	5.6
484.38824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86002	0.1
59.01371	0.9
60.99308	0.3
61.98826	0.9
67.01881	0.5
67.34081	0.1
69.03456	0.2
71.01380	1.1
71.52199	0.3
79.95731	6.8
80.12845	0.2
80.96516	0.3
81.03425	0.2
83.05046	0.2
85.02962	0.3
87.00845	1.0
88.98803	1.7
89.02422	0.4
93.03452	4.3
94.03758	0.2
95.95218	0.7
96.96004	100.0
97.95916	0.3
99.00894	0.2
101.02412	0.4
110.97604	0.8
111.04515	0.5
115.00371	0.4
127.91883	0.2
129.01939	0.2
131.07121	0.2
133.01440	0.3
133.02959	0.5
134.03738	1.6
135.04533	0.9
137.02461	0.6
138.97112	0.4
150.97041	0.2
151.04091	0.2
152.01093	0.2
152.07147	0.5
165.01805	0.2
167.03439	0.8
169.31679	0.1
173.04527	3.5
175.04097	0.2
177.01886	0.5
177.04030	0.2
178.02676	1.0
179.03484	0.6
181.05212	0.2
191.05612	2.0
198.99146	0.4
241.00224	0.4
247.95692	0.1
253.08788	0.2
268.07410	0.2
275.09265	0.5
283.09760	0.4
284.06955	0.4
293.10236	0.9
299.09134	0.2
312.06461	1.0
327.08670	1.6
342.11038	1.7
423.21237	0.3
437.14786	0.3
449.14597	0.6
467.10165	32.4
467.16022	14.7
468.10464	3.3
468.16370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86002	0.1
59.01371	0.9
60.99308	0.3
61.98826	0.9
67.01881	0.5
67.34081	0.1
69.03456	0.2
71.01380	1.1
71.52199	0.3
79.95731	6.8
80.12845	0.2
80.96516	0.3
81.03425	0.2
83.05046	0.2
85.02962	0.3
87.00845	1.0
88.98803	1.7
89.02422	0.4
93.03452	4.3
94.03758	0.2
95.95218	0.7
96.96004	100.0
97.95916	0.3
99.00894	0.2
101.02412	0.4
110.97604	0.8
111.04515	0.5
115.00371	0.4
127.91883	0.2
129.01939	0.2
131.07121	0.2
133.01440	0.3
133.02959	0.5
134.03738	1.6
135.04533	0.9
137.02461	0.6
138.97112	0.4
150.97041	0.2
151.04091	0.2
152.01093	0.2
152.07147	0.5
165.01805	0.2
167.03439	0.8
169.31679	0.1
173.04527	3.5
175.04097	0.2
177.01886	0.5
177.04030	0.2
178.02676	1.0
179.03484	0.6
181.05212	0.2
191.05612	2.0
198.99146	0.4
241.00224	0.4
247.95692	0.1
253.08788	0.2
268.07410	0.2
275.09265	0.5
283.09760	0.4
284.06955	0.4
293.10236	0.9
299.09134	0.2
312.06461	1.0
327.08670	1.6
342.11038	1.7
423.21237	0.3
437.14786	0.3
449.14597	0.6
467.10165	32.4
467.16022	14.7
468.10464	3.3
468.16370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01382	3.3
61.98818	4.6
62.94506	1.2
68.99804	5.4
71.01382	16.2
71.50216	1.6
72.99306	7.7
73.02924	2.3
75.00867	27.3
75.02579	20.1
83.01382	7.1
85.01027	2.5
85.02927	1.7
89.04135	5.8
99.00874	40.1
100.01205	1.2
100.98808	7.8
103.00363	30.4
111.00876	6.6
112.98804	19.4
113.02395	1.3
115.00358	6.0
117.01926	3.7
117.03615	1.1
125.99549	1.3
127.00372	1.2
128.98262	3.3
129.01944	10.2
129.03621	4.7
133.01396	5.0
142.99829	3.3
145.01419	14.1
157.01437	7.3
157.03117	10.8
171.04669	3.5
173.00993	1.2
173.02539	1.9
175.02419	2.3
185.00858	5.1
185.02623	3.3
187.02388	1.8
189.05670	2.1
200.97112	2.1
201.02095	25.0
205.03542	1.1
217.05174	1.5
218.84486	1.1
229.01552	12.2
234.99133	1.9
248.97110	1.3
260.04745	2.2
261.04193	100.0
262.04517	3.1
269.29022	1.2
329.08768	1.3
330.21445	1.2
333.11343	2.0
349.09521	1.9
351.00406	1.6
363.06824	1.2
467.08310	52.7
467.13254	3.7
468.09036	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
61.98827	100.0
66.63187	0.3
67.01866	0.3
67.69908	0.3
69.67364	1.6
71.01385	3.7
73.02956	0.3
74.57343	0.3
85.02956	0.7
87.00900	0.4
89.02468	1.3
93.03445	1.9
96.96029	0.6
98.19954	0.6
101.02448	1.2
108.02151	0.5
113.02473	0.9
115.00362	1.5
119.03493	0.8
121.32663	0.3
130.26236	0.3
133.01427	1.6
134.03755	0.7
135.04506	0.4
138.01958	2.1
144.89810	0.3
161.13370	0.6
173.04515	1.7
191.05627	0.7
217.01411	0.3
220.39319	0.3
223.11490	0.4
223.13382	1.6
312.70154	0.3
364.93106	0.3
403.19705	16.3
404.19775	1.4
449.14813	0.6
466.20901	0.3
466.27768	0.5
467.15573	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	466.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70330	0.4
59.01376	4.2
60.99307	0.7
61.98827	7.5
67.01876	2.0
69.03436	0.7
69.22424	1.1
69.22838	2.7
71.01379	4.8
73.02936	0.5
75.00877	0.5
80.05035	0.5
83.05025	0.5
85.02929	0.7
87.00880	2.4
89.02451	2.4
93.03460	12.1
94.06609	2.6
96.95992	1.9
101.02450	1.4
105.01928	0.6
106.06619	1.5
107.03777	3.4
109.02900	0.5
111.00768	0.6
111.04515	2.2
112.98193	0.4
113.02425	1.4
115.00346	0.8
119.03503	0.9
120.04526	0.5
121.05350	0.6
122.06117	18.8
124.07682	3.0
130.07610	0.4
132.04544	11.5
133.01418	1.4
133.02950	1.2
133.05334	5.4
134.03735	2.4
134.06111	5.3
135.04489	2.0
135.06909	0.6
139.02722	0.9
146.06087	1.6
150.05579	0.9
152.07162	45.9
153.07509	1.5
164.03465	0.6
165.04295	6.9
167.05815	0.7
173.04532	8.0
177.01869	1.0
178.02733	2.3
179.03461	1.0
179.05156	0.4
186.09254	0.5
191.05618	3.5
199.65010	0.5
213.06706	1.3
214.12387	1.8
215.11855	2.5
223.08681	1.2
226.07507	0.8
226.12347	2.4
229.09776	2.1
239.11830	2.5
240.08957	0.6
241.09767	2.6
251.08261	0.6
253.09863	0.9
254.10530	0.8
257.12949	19.9
258.13223	1.1
267.11200	2.1
269.12933	8.7
269.15646	0.7
270.13412	1.2
275.09280	0.7
279.11377	1.5
281.12796	0.6
283.10904	1.5
283.14160	0.5
287.16602	0.7
293.10388	1.0
297.12415	6.5
298.13199	3.6
301.11978	1.3
302.12488	2.4
313.11966	0.6
330.12100	4.3
379.03641	0.4
394.21451	0.9
403.19699	0.6
404.19690	0.6
422.20798	5.5
423.21155	0.6
438.20334	2.3
448.18710	2.0
449.14423	6.1
466.19800	100.0
467.15286	4.9
467.20215	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	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.98826	100.0
65.91306	0.4
67.01881	0.5
69.16347	0.6
69.16749	3.1
71.01373	2.9
85.02961	1.0
87.00889	1.0
87.04535	0.7
89.02451	0.5
90.00051	0.4
93.03452	3.7
96.96022	1.3
100.62609	0.4
101.02437	1.4
111.04457	0.7
113.02430	0.9
115.00391	1.2
123.53238	0.4
124.17633	0.3
127.93633	0.4
133.01457	1.5
133.02985	0.7
134.03758	1.4
138.01945	0.9
153.01952	0.4
173.04507	2.6
177.02087	0.4
178.00058	0.4
191.05672	1.4
196.24893	0.4
241.14500	1.1
293.10345	0.5
403.19675	19.8
404.20316	1.8
449.14590	1.1
466.21332	0.5
466.27426	0.9
467.15527	3.2
467.22345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41629	0.3
55.01874	1.5
57.03445	1.2
57.71552	0.3
59.01376	52.9
60.01720	0.7
61.98827	1.3
69.90263	1.5
70.36795	0.3
71.01377	12.9
72.99298	0.7
73.02947	5.3
75.00874	0.9
83.01382	3.2
85.02940	7.4
86.00111	0.5
87.00881	0.8
89.02438	1.6
90.45480	0.2
95.01393	1.4
96.95999	3.3
97.02960	0.4
99.00871	2.3
101.02441	11.4
109.69218	0.3
111.00878	0.6
113.02435	5.7
115.00395	0.5
119.03488	0.4
125.02454	0.5
129.01900	0.4
133.01407	0.8
135.04483	0.7
137.02534	0.3
143.03476	0.4
143.04659	0.3
143.10808	0.3
149.65948	0.3
159.02988	0.9
161.04543	1.8
174.96199	0.4
179.03432	0.3
191.05536	0.4
229.14476	1.3
243.19717	1.0
252.41373	0.3
253.09341	0.4
265.64081	0.4
285.20557	0.3
343.06915	0.4
347.24377	0.6
348.24722	0.5
349.21112	0.4
349.24939	2.7
350.24362	0.3
356.48572	0.3
361.93216	0.3
405.25006	2.5
447.25970	3.1
448.26276	0.4
465.26965	100.0
466.27310	11.4
486.30658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65656	0.3
55.07578	0.3
59.01377	2.7
61.98825	100.0
69.42664	1.9
71.01380	1.8
74.02487	0.3
78.95898	0.7
79.95756	0.3
80.96536	0.3
85.02975	0.3
94.00936	0.3
96.52516	0.2
96.95989	0.4
97.06586	0.3
97.65813	0.2
98.12772	0.3
115.00371	0.5
133.01419	0.8
133.02960	0.7
134.03708	0.4
135.04539	0.5
149.31299	0.3
152.99565	0.5
165.53288	0.3
177.01884	0.4
178.02625	0.6
179.03247	0.4
181.08759	0.4
199.35115	0.3
241.54868	0.3
278.18005	0.3
318.65854	0.3
464.31378	1.2
470.18668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
60.38345	0.2
61.98826	100.0
67.32353	0.2
70.81232	0.6
71.01386	1.0
78.95906	0.5
87.04507	0.5
111.63297	0.2
112.98311	0.2
115.00371	0.3
133.01408	0.4
133.02888	0.3
152.99571	0.8
167.87204	0.3
179.03484	0.2
349.20370	0.7
464.31714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35599	0.3
59.01377	8.5
61.98828	8.5
69.48634	2.9
71.01379	6.8
72.99312	1.0
78.95899	0.9
79.95728	5.4
80.96499	0.9
83.01352	0.5
85.02946	1.3
87.00873	0.5
89.02452	2.8
95.95229	7.1
96.00945	0.4
96.96003	63.2
99.00867	0.6
101.02442	2.6
113.02433	1.5
115.00365	2.5
119.03492	1.4
122.97580	1.0
133.01425	5.6
135.04492	0.9
138.97076	3.1
150.97046	1.6
159.02998	0.4
161.04630	0.6
164.98586	0.6
177.04047	1.0
179.05554	0.7
180.98073	0.9
191.05574	1.3
198.99167	0.6
202.33975	0.4
225.00800	1.6
241.00223	4.4
243.16002	0.7
256.99692	0.8
259.01309	0.9
386.09293	0.7
405.21271	6.8
408.08783	1.0
421.11691	0.7
448.07339	0.4
449.08807	0.8
465.14285	100.0
466.14575	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53757	0.4
59.01375	15.6
61.98825	100.0
64.97420	0.4
69.61311	0.4
71.01384	5.3
71.52379	0.6
72.01760	0.5
73.02938	2.2
75.00873	0.5
78.95901	1.2
83.01389	0.9
84.70285	0.4
85.02969	1.2
85.82949	0.4
89.02459	1.2
93.87155	0.4
96.96014	1.2
101.02444	3.3
113.02438	1.5
115.00389	1.1
119.03473	0.6
121.02959	0.7
131.03406	0.5
133.01447	1.0
133.02969	1.2
134.03754	0.9
135.04597	0.7
137.02426	0.6
143.03555	0.6
149.04509	0.6
152.99579	0.6
161.04561	1.3
172.14304	0.4
177.01988	0.5
178.02676	2.2
213.09514	0.8
214.09883	0.7
221.01157	0.4
249.13585	0.5
280.81265	0.4
401.08859	0.8
463.31378	1.3
464.31418	2.2
465.06027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.4
61.98827	100.0
71.01382	2.6
71.50532	0.4
85.02949	0.6
87.00883	0.5
89.02444	2.4
90.28143	0.3
95.71935	0.3
96.95993	0.7
101.02450	1.3
113.02472	1.0
115.00375	0.5
119.03523	1.4
125.02428	0.3
127.88158	0.4
133.01440	1.1
135.04489	0.5
154.01842	0.4
161.04596	0.4
165.00099	0.5
166.05078	0.9
179.05563	1.6
191.05647	1.5
191.45000	0.3
208.99088	0.4
209.33337	0.3
274.80569	0.4
350.09933	0.4
383.04120	0.4
395.67404	0.3
405.21240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85108	0.2
61.98828	100.0
71.02048	0.3
78.15888	0.2
94.94567	0.2
98.20658	0.2
151.03217	0.2
183.07922	0.2
195.50793	0.2
398.22556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01376	18.3
60.01704	0.4
61.98825	100.0
62.54969	0.3
69.03448	0.9
69.72367	1.6
70.03783	0.3
71.01376	1.9
73.02939	0.7
83.05032	0.3
85.02940	0.6
89.02419	0.3
96.96021	0.4
101.02438	0.6
113.02436	0.7
133.02986	0.4
147.16327	0.3
148.82072	0.3
154.83940	0.2
156.46875	0.3
161.04605	0.6
178.02731	0.3
194.88995	0.2
196.12935	0.3
260.21033	0.5
288.20605	0.3
289.21490	0.4
290.22122	0.7
315.18079	1.9
357.19406	0.4
359.25928	0.4
360.26419	0.7
375.75491	0.3
403.24948	2.2
404.25189	4.2
405.25607	0.4
421.25919	4.4
422.26297	9.0
423.26563	0.7
456.54749	0.3
459.53162	0.3
463.26355	1.4
464.17310	0.5
464.26996	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	463.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62968	0.5
58.58183	0.5
59.01373	2.7
61.98824	1.3
68.99576	0.8
70.74065	1.6
71.01364	1.0
78.95898	24.7
96.79817	0.6
104.97417	0.9
110.97745	1.2
110.98521	18.9
112.98537	0.7
113.09702	2.6
149.00107	1.5
166.82111	0.7
167.01131	19.7
179.14355	1.2
181.12366	1.2
185.02209	4.9
194.98868	5.2
195.13887	19.5
203.56754	0.6
209.11855	0.7
277.21701	18.0
278.21976	1.6
293.21295	1.0
295.22757	100.0
296.23123	6.2
463.11151	3.8
463.24646	66.5
464.25006	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	463.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.86781	0.4
57.03439	1.3
59.01377	25.8
60.01705	0.4
60.48599	0.3
61.98823	3.0
69.03438	0.4
71.01379	13.2
71.51541	0.5
71.51947	0.4
72.01711	0.4
72.99303	1.0
73.02937	1.6
73.78165	0.3
75.00871	1.8
83.01367	1.1
85.02953	3.6
86.00074	0.4
87.00890	1.6
89.02453	1.7
95.01358	0.5
95.04971	0.5
95.44530	0.3
96.95998	3.0
97.02941	0.6
99.00872	1.1
99.08154	0.4
101.02427	4.3
111.00867	0.6
113.02451	2.1
113.09727	0.5
115.00352	1.7
124.01721	0.5
125.02430	1.1
127.11311	0.5
133.01437	2.2
133.02939	3.3
134.03761	1.8
135.04469	0.8
137.02396	1.0
139.04001	0.5
141.01779	0.3
144.04544	3.0
161.04550	0.4
172.03448	0.4
177.01932	3.7
178.02707	4.3
209.11797	1.2
209.39398	0.4
221.19078	9.7
222.19421	0.9
227.03554	0.8
227.12744	0.5
228.03712	0.7
239.20139	1.8
241.00218	0.6
255.03003	2.2
256.03336	1.8
257.03564	2.8
257.12912	1.4
257.21323	0.5
265.18045	7.2
271.28036	0.4
275.09229	0.7
283.02469	3.7
283.19110	9.1
284.02866	4.0
284.19498	0.6
285.03061	7.3
286.03760	1.3
295.70938	0.4
297.20477	0.4
298.04910	2.8
299.05243	3.3
300.05457	7.9
301.06223	3.9
301.11868	1.6
301.20175	12.6
302.20444	0.8
315.21893	0.4
325.20004	0.5
343.21069	0.6
403.23087	0.9
421.24536	1.5
427.22995	0.9
445.24490	4.4
446.24759	0.5
463.11603	11.3
463.25443	100.0
463.88153	0.4
464.11746	0.6
464.25778	10.4
464.32132	0.8
474.23376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2698
Annotation	Hamachilobene A
Peak:m/z	Relative Intensity
54.43994	0.3
57.03445	2.3
59.01378	29.2
60.01708	0.3
61.98825	62.9
69.03447	6.2
71.01389	2.3
71.05017	0.5
71.52219	0.4
73.02946	0.5
75.00851	0.4
78.95943	0.4
79.95720	0.4
83.05032	3.4
85.02937	0.5
89.02456	0.4
92.98453	0.3
93.03452	0.3
96.96001	4.9
101.02429	0.7
105.03437	0.7
105.71498	0.3
106.04230	0.5
109.06577	4.4
115.00356	0.9
121.06594	0.4
123.08147	1.7
133.01431	0.7
133.02940	3.6
134.03719	1.3
135.04532	0.6
135.08142	0.4
137.02422	1.3
143.10759	0.6
153.09218	1.0
161.04515	0.5
177.01909	3.9
178.02727	4.4
179.03336	0.4
193.15979	1.7
205.15898	0.4
209.11789	0.5
225.74379	0.3
227.12837	0.4
231.17473	0.7
241.00214	0.4
242.10872	0.3
243.17509	2.9
259.20602	3.2
261.18497	1.2
269.18988	0.3
275.20108	1.5
287.20175	4.2
289.21698	9.6
301.21506	0.6
303.19528	0.6
313.21741	0.4
315.18066	1.4
329.23276	1.0
331.22684	1.2
341.24817	1.6
347.25949	0.6
357.24207	0.7
359.25867	9.4
360.26166	0.9
375.25418	2.7
377.26862	1.2
403.24844	43.0
404.25131	3.5
407.09869	0.3
421.25906	100.0
422.26230	10.0
463.17319	5.0
463.26682	48.7
464.16830	0.5
464.27029	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.00581	2.1
58.99512	0.7
59.01377	32.8
61.98830	4.8
69.61282	3.6
71.01376	24.5
72.99303	1.9
73.02941	2.4
75.00871	3.1
80.02676	0.9
81.03468	1.7
83.01391	1.1
83.05019	4.9
84.02161	1.1
85.02946	6.1
87.00878	2.8
89.02437	15.0
95.01405	1.2
95.05035	0.8
96.96021	3.2
97.02945	0.7
97.06570	1.1
99.00863	1.6
101.02432	11.2
109.34344	0.8
113.02427	9.2
115.00360	4.7
119.03497	5.2
119.05013	0.8
120.01248	0.9
125.06081	4.0
133.01416	4.9
135.04518	3.0
135.08258	0.6
138.06821	1.6
139.07669	0.7
143.03464	1.0
146.06087	0.8
149.04567	0.9
151.07660	1.2
152.08400	2.7
153.09195	8.1
155.60788	0.6
159.02979	0.6
161.04593	8.6
162.34680	0.7
163.11281	3.6
165.12842	2.5
169.73581	0.6
172.96513	0.7
179.03539	1.7
179.03804	1.3
179.05597	8.5
179.10789	1.2
181.12408	0.7
191.05640	2.5
191.10794	0.8
193.27017	0.6
203.95886	0.7
204.06573	1.2
205.12318	3.7
209.11807	100.0
210.12115	5.2
213.12436	2.0
223.13441	4.3
224.51743	0.7
227.12868	17.0
228.13289	0.8
241.07339	5.4
242.07924	1.9
249.05872	1.4
253.09270	13.8
257.10504	0.9
271.14365	1.2
283.10843	3.1
285.09775	0.9
286.29138	0.9
329.14890	1.6
347.12027	1.2
347.17010	1.1
373.14053	6.5
383.17389	1.0
385.18588	11.8
386.18903	0.8
403.19528	4.1
419.15656	10.0
420.15942	1.3
463.17856	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93165	0.3
57.03446	0.4
59.01369	1.6
61.98823	0.5
69.91632	0.6
69.92030	1.5
74.91621	0.4
78.95903	6.9
79.14632	0.4
83.05008	0.4
89.25121	0.4
90.97526	0.4
92.77981	0.3
94.98860	0.3
95.06782	0.3
96.95998	0.5
98.19935	0.7
110.98535	5.6
113.09721	2.2
129.34077	0.4
152.99544	0.4
163.12607	0.3
167.01132	3.1
177.12935	0.5
179.14400	0.9
181.12238	0.4
185.02193	5.1
195.13889	17.8
196.14310	0.8
243.67628	0.4
277.21704	15.6
278.22067	1.3
295.22763	100.0
296.23114	7.3
326.62094	0.3
444.23788	0.3
463.24673	27.1
464.25146	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90297	0.2
58.00586	0.4
59.01378	5.3
61.98831	3.4
69.81087	1.0
71.01373	6.0
71.05017	0.3
72.99297	0.7
73.02952	0.6
73.60667	0.3
78.30177	0.2
79.22887	0.3
80.02664	0.9
81.03452	1.0
83.01375	0.4
83.05028	4.2
84.02164	1.0
85.02961	0.8
87.00885	0.4
89.02444	2.7
90.23110	0.3
91.38216	0.2
95.05029	0.3
98.20552	0.5
101.02428	2.8
109.02989	0.3
109.06579	0.3
113.02429	1.7
113.03582	0.3
115.00377	1.6
119.03493	0.7
119.05009	0.9
125.02428	0.3
133.01424	2.0
135.04485	0.8
135.08157	0.7
155.10767	0.5
159.04541	0.3
161.04550	1.0
163.03973	0.4
163.11284	3.9
165.12852	2.3
166.13414	0.3
179.05580	0.7
181.12334	0.5
191.10724	0.7
199.09801	0.4
199.13351	1.1
209.11806	100.0
210.12148	5.1
227.12868	19.4
228.13159	1.2
235.08217	0.4
243.02904	0.3
253.09267	12.6
254.09705	0.5
255.03101	0.5
271.02408	0.7
300.02826	0.8
301.03696	0.3
309.07907	0.3
315.10770	0.4
445.21182	0.4
463.08920	0.8
463.21649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48965	0.3
51.51359	0.3
54.18677	0.2
55.01858	0.3
59.01112	0.4
59.01376	6.0
61.98826	1.8
69.34988	1.0
69.35416	1.3
71.01377	4.5
72.99302	0.5
73.02936	0.7
75.00855	0.3
80.02661	1.1
81.03458	1.0
83.01383	0.5
83.05019	4.8
84.02148	0.9
85.02945	1.1
87.00844	0.5
88.98757	0.3
89.02434	3.4
93.03450	0.4
95.05013	0.7
96.95985	0.6
101.02442	3.5
106.57896	0.2
109.06618	0.3
113.02461	1.4
115.00352	1.1
115.07639	0.3
119.03495	0.8
125.02405	0.4
125.06028	0.7
131.03471	0.3
133.01419	1.9
135.04491	0.3
135.08136	0.7
143.03522	0.3
144.02452	0.3
152.81456	0.3
161.04536	1.3
163.11293	3.2
164.11581	0.3
165.12848	2.1
181.12338	0.5
191.10712	0.9
199.13359	1.1
209.11807	100.0
210.12161	5.1
212.77652	0.3
227.12871	18.8
228.13162	0.9
235.08218	0.4
253.09271	13.2
254.09511	0.3
293.11728	0.3
300.02670	0.6
347.23975	0.9
463.08908	0.6
463.21628	0.4
463.29257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74566	0.3
55.01883	0.2
57.03423	0.2
59.01378	5.6
61.98825	2.1
64.38954	0.2
68.27913	0.2
70.84335	0.4
70.84664	0.3
71.01007	0.5
71.01378	5.8
71.05001	0.4
72.99310	0.6
73.02947	0.6
75.00860	0.3
80.02668	1.1
81.03452	1.0
83.01366	0.6
83.05022	4.4
84.02145	1.1
85.02949	0.8
86.36034	0.2
87.00876	0.4
89.02428	2.8
89.63313	0.2
93.03443	0.3
95.01361	0.2
95.05021	0.6
96.96018	1.0
97.02951	0.2
97.06585	0.3
98.95594	0.3
101.02447	4.2
106.71464	0.3
109.06595	0.3
113.02428	1.8
115.00359	2.2
119.03517	0.7
119.05000	0.3
125.02455	0.4
125.06085	0.5
125.09737	0.2
127.11269	0.3
127.28011	0.2
131.03432	0.3
133.01398	1.5
133.02948	0.3
135.04500	0.3
135.08177	0.4
143.03453	0.4
147.11787	0.3
151.00365	0.4
155.10782	0.3
161.04553	1.1
163.11267	3.9
165.12840	2.7
171.10265	0.6
172.07649	0.5
173.00839	0.3
173.08157	0.3
178.99915	0.3
179.03423	0.3
179.05612	0.5
181.12340	0.7
191.05667	0.4
191.10751	0.8
199.13232	0.4
201.11278	0.6
205.03374	0.3
209.11809	100.0
210.12151	5.2
227.12869	17.8
227.15170	0.5
227.16211	0.3
228.13145	1.2
235.08189	0.6
246.22942	0.3
253.09253	12.5
254.09627	0.4
255.02855	0.3
271.02481	0.5
300.02698	0.5
301.03549	1.1
301.11929	1.2
329.23236	0.7
343.13116	0.4
345.22748	0.5
347.24332	13.9
348.24582	0.9
401.18027	0.4
463.08813	0.6
463.15970	0.7
463.25418	0.8
464.28845	0.4
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
59.01379	3.6
61.98833	2.0
63.02378	0.5
65.00320	1.1
69.93404	0.3
70.99342	0.5
70.99685	0.4
71.01376	3.7
72.46293	0.3
72.99303	0.3
73.02942	0.3
78.98573	0.6
80.98244	0.3
83.01378	0.9
83.05013	0.3
85.02919	0.5
89.02419	1.3
92.09982	0.3
93.03421	0.3
101.02446	1.4
107.01381	2.2
108.02174	1.1
109.02932	1.1
111.04495	0.3
113.02412	0.5
115.00353	1.3
119.03495	0.5
121.02962	1.8
128.03561	0.5
133.01422	1.2
135.00851	0.9
135.04495	0.9
148.01659	1.6
149.02422	0.5
151.00366	11.5
151.01588	0.5
155.10712	0.4
161.04533	0.4
163.00366	2.0
164.01126	0.8
167.10744	0.3
171.04587	0.4
178.98438	0.5
178.99852	4.8
179.03444	0.5
183.04524	0.4
185.11894	0.3
187.08736	1.0
191.05563	0.3
193.01332	0.3
198.03244	0.4
199.03918	0.9
199.13318	0.7
201.05434	0.4
203.03561	0.4
209.11803	3.8
211.03969	1.2
215.03607	0.4
216.04289	0.5
226.02678	2.2
227.03510	2.5
227.12868	4.0
228.04254	0.5
229.01447	0.3
229.05022	0.4
241.14522	0.4
243.02968	11.6
244.03400	1.3
245.04526	1.3
253.09225	0.7
254.02202	2.5
255.02972	24.0
256.03387	1.7
257.04535	0.4
271.02454	60.4
272.02936	5.3
273.03995	0.9
283.02420	0.9
299.02045	1.5
300.02725	100.0
301.03442	43.7
302.03787	2.5
316.02173	0.8
343.04520	0.7
347.17026	5.1
419.18274	2.7
420.18686	0.4
457.12872	0.3
463.08792	82.6
464.09116	8.0
464.16116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2
Annotation	MK 0457
Peak:m/z	Relative Intensity
50.80396	0.5
57.03774	0.4
59.01365	2.3
61.98831	3.3
64.80473	0.5
66.09916	0.4
70.41490	1.3
70.41833	0.6
71.01359	1.9
75.00888	0.5
78.95898	10.2
79.95728	1.4
80.96524	0.8
96.96005	45.0
96.96902	2.9
99.08150	1.2
101.02435	0.8
114.35809	0.5
115.07641	2.6
125.82944	0.5
133.01418	0.7
133.02946	0.6
138.97038	4.0
138.98010	1.2
168.98114	0.6
192.26045	0.5
198.99144	3.1
209.11798	1.6
241.00400	1.8
259.01364	0.7
301.15869	1.0
343.16605	1.2
347.18741	0.5
445.20258	0.6
463.20032	100.0
464.20313	9.4
464.26538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
58.36023	0.4
59.01361	1.4
61.91556	0.3
61.98803	1.2
69.54756	1.8
71.01385	4.5
72.99300	0.5
74.07880	0.3
75.00867	6.4
75.08929	0.4
77.05109	0.4
78.95889	0.5
79.56856	0.3
79.95737	4.1
80.96502	1.1
83.01369	0.4
83.46243	0.4
85.02935	3.1
89.02431	0.6
95.95237	4.8
96.96004	100.0
97.02918	0.5
99.00862	0.8
101.02421	1.3
111.00904	0.4
115.04038	0.6
129.01927	2.6
138.97047	2.4
141.01900	0.6
143.58992	0.4
150.97041	1.1
159.02962	1.5
164.98634	0.5
168.98064	2.3
173.22276	0.4
176.98625	0.6
177.04022	24.0
178.04359	0.6
180.56851	0.4
194.99643	1.1
198.99124	0.5
209.11795	0.8
213.00696	3.1
225.00685	0.6
241.00191	0.5
247.94528	0.3
256.99698	14.3
295.22607	0.6
387.28616	0.4
419.45822	0.4
463.20010	81.4
464.20358	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	463.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20195	0.3
57.03447	0.7
59.01366	1.0
61.98830	0.7
71.01373	3.7
71.33687	0.6
72.99305	0.9
75.00478	0.4
75.00871	5.7
79.95731	4.1
80.96523	0.7
85.02946	3.4
87.00877	0.4
95.95224	3.6
96.96001	100.0
99.00851	1.1
101.02432	1.6
115.04002	0.4
129.01910	2.3
135.60054	0.3
138.97054	2.4
150.97018	1.0
151.97867	0.4
159.01682	0.3
159.02951	1.6
167.42952	0.3
168.98087	1.4
176.98622	0.7
177.04027	26.0
178.04395	0.9
194.99663	1.6
198.99182	0.4
213.00665	2.8
225.00758	0.8
241.00099	0.6
256.99701	14.5
257.02429	0.7
257.99969	0.5
277.22754	0.4
309.51859	0.4
463.20004	85.5
464.20322	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	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26965	1.2
53.73278	0.9
55.53045	1.0
56.68513	0.9
57.03444	3.5
59.01379	100.0
60.01714	1.8
60.47170	0.9
61.16531	1.0
61.98820	7.6
69.03454	1.5
71.01381	19.2
71.05013	1.4
72.99295	1.3
73.02938	2.6
75.00871	1.2
83.05024	1.9
85.02959	2.0
89.02443	1.2
91.04015	3.1
95.05040	1.2
96.95983	5.0
97.06567	1.8
98.95599	1.2
101.02435	1.7
104.46872	1.1
105.03480	2.3
106.06608	3.8
109.06570	1.4
112.43108	1.1
113.09752	1.8
115.00387	5.0
118.98113	1.4
120.86266	1.0
125.09686	1.6
125.46429	1.2
127.11258	1.5
129.09218	10.2
133.01401	4.4
133.02957	14.4
134.03703	4.7
135.04474	2.1
136.07732	2.3
137.02437	2.0
139.03926	1.2
139.11299	1.1
141.09189	4.2
141.12801	1.3
143.10733	5.8
150.05630	1.0
155.10771	10.8
161.04507	1.7
167.13669	1.1
171.10280	3.1
173.08176	1.4
173.66974	1.0
177.01921	10.4
178.02725	7.2
179.48999	1.1
181.08681	3.7
183.10208	2.5
185.11826	22.4
186.12109	1.6
197.11795	19.0
207.10236	2.2
207.53888	1.1
209.11766	9.9
211.13454	5.5
229.58080	1.1
247.20677	1.5
261.46469	1.2
273.18561	1.4
291.19684	17.9
292.20157	1.2
299.14011	5.0
301.78958	1.1
309.20706	40.3
310.21133	3.5
327.21744	64.8
328.22040	4.4
345.26248	3.2
362.08661	1.3
383.24249	6.3
398.27927	1.2
401.25302	1.7
417.29987	9.4
444.79108	1.2
461.15121	2.9
461.29102	51.1
462.29333	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03439	2.4
58.00596	0.7
59.01374	16.7
61.98830	2.6
68.99556	1.7
69.03467	0.6
69.76153	2.7
71.01379	17.0
71.05001	1.0
72.99277	0.7
73.02946	2.4
74.99050	0.4
75.00896	0.6
79.95713	0.9
85.02954	1.8
87.00872	0.7
87.04517	5.3
89.02426	2.2
95.05023	0.6
95.95205	0.7
96.96007	8.1
97.02932	0.6
97.06570	0.6
101.02435	2.1
107.94559	0.5
108.01479	0.6
108.02169	7.6
109.02967	3.5
109.06499	0.5
112.98568	1.8
113.02454	1.5
115.00362	12.5
117.03451	2.6
119.03539	0.9
119.05013	0.9
120.74303	0.4
121.02946	0.5
125.02440	0.6
125.09725	1.5
127.11291	1.5
133.01404	3.8
133.02934	0.6
135.04503	1.6
137.02437	0.9
139.11285	0.5
145.01404	0.5
145.01639	0.5
145.02950	8.3
152.01135	9.2
153.01944	3.7
155.10773	1.0
161.02438	0.6
161.04510	1.0
163.03969	0.9
167.14369	0.5
171.10245	5.9
177.01820	0.6
178.02408	0.5
179.03528	0.8
181.12343	0.5
183.13904	7.0
191.05542	0.6
195.13892	6.6
199.09804	0.9
201.11316	14.3
202.11676	0.8
207.10292	1.0
209.11719	0.8
211.13437	0.8
213.14978	1.1
221.15363	0.5
225.11356	3.6
225.14899	0.7
226.35635	0.5
229.14523	0.5
235.16980	5.2
239.12820	0.8
253.09013	0.9
253.18062	15.0
254.18404	1.0
269.13953	0.8
269.17523	0.9
271.19110	19.1
272.19415	1.7
309.20578	0.9
315.07135	3.8
327.21622	2.2
345.22775	100.0
346.23169	7.5
353.04602	1.9
371.05432	0.9
375.08640	0.5
401.21756	1.6
415.04593	1.4
443.03955	2.5
461.09991	10.2
461.16049	1.5
461.24237	4.1
462.11411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00577	0.5
59.01376	5.3
61.98825	5.5
71.01376	11.2
71.04984	0.6
71.52013	0.3
72.99285	0.4
73.02933	0.9
75.00849	0.3
83.05023	0.6
85.02937	0.6
85.06580	0.7
85.21361	0.2
87.00857	0.4
89.02422	0.4
93.03445	0.6
96.25769	0.3
96.96002	1.1
97.06577	0.6
100.74839	0.3
101.02420	0.6
102.98583	0.6
104.65839	0.2
107.91780	0.2
109.06568	0.6
113.02460	0.5
113.09795	0.3
115.00366	7.2
115.07632	0.5
123.08100	0.3
125.06046	0.5
125.09734	1.7
127.11302	2.5
133.01436	2.1
133.02901	0.4
135.04541	0.4
137.02437	1.2
137.09694	0.3
139.11270	0.5
145.08688	0.5
152.27933	0.3
155.10806	1.4
157.12300	0.4
161.02428	0.5
165.09221	1.0
171.10226	1.6
175.02487	0.4
181.12367	1.4
183.10239	0.6
187.07315	0.3
199.09822	0.4
199.13358	0.6
199.45621	0.3
201.11287	9.7
202.11769	0.3
211.13434	1.3
212.10432	0.3
225.11301	0.9
229.14328	0.3
255.10182	0.3
257.17575	0.5
323.07675	0.4
327.21759	4.8
328.22092	0.4
343.21216	0.6
345.22775	100.0
346.23123	8.4
401.21970	0.4
419.24161	0.9
453.36136	0.3
461.23907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01318	3.8
61.98801	1.5
69.83678	1.8
69.84074	1.2
71.01366	3.8
75.00803	2.3
78.95897	8.3
80.94402	0.7
96.95943	2.2
110.98533	7.7
133.01378	0.9
133.02924	1.4
135.04427	0.9
152.99509	1.9
163.11139	0.9
164.40579	0.7
167.01070	2.9
178.02621	2.0
179.14371	1.1
185.02187	5.4
194.76912	0.7
195.13916	9.3
205.12248	0.9
207.10237	0.9
215.02284	0.7
223.13373	8.4
225.11313	2.0
228.13652	0.9
247.00026	0.6
256.13077	2.1
275.20193	5.4
283.13025	0.9
293.21191	100.0
294.21591	7.2
461.23212	27.3
461.29761	1.6
462.23538	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.7
59.01350	2.2
61.98806	2.0
70.63934	0.5
71.01368	0.6
78.95898	6.2
80.21443	0.5
87.39019	0.5
97.06572	0.9
108.82404	0.5
109.06560	0.5
110.98524	6.2
113.09717	17.9
114.10052	0.6
124.56185	0.5
124.98944	0.5
125.09683	0.5
139.11252	1.9
152.99507	0.6
167.01099	2.3
167.10712	2.7
177.12830	0.7
179.10756	1.5
185.02211	4.8
195.13943	2.7
249.22249	1.6
275.20105	2.0
293.21201	100.0
294.21542	8.8
417.35892	0.5
461.23074	17.2
462.23352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72762	0.2
56.83158	0.3
57.03453	0.3
59.01376	5.1
61.98828	16.0
63.99281	0.3
67.75408	0.3
69.03436	0.3
71.01382	4.7
71.05026	0.4
71.51849	0.5
73.02945	0.7
75.00860	0.4
79.95737	3.5
80.96519	1.2
85.02954	0.5
85.06539	0.4
87.00832	0.4
87.04512	0.5
89.02435	0.7
93.03460	1.2
95.95237	1.0
96.96008	100.0
97.02951	0.4
97.06569	0.3
99.00874	0.5
101.02456	0.5
109.06572	0.4
113.02454	0.6
115.00359	3.7
133.01402	1.7
134.03751	0.3
135.04543	0.8
137.02435	2.7
161.02426	0.5
163.11279	0.4
171.10277	2.0
181.12410	0.8
183.13828	1.0
192.32292	0.3
195.13890	2.3
201.11362	1.3
207.10239	1.9
225.11320	4.4
235.16945	1.6
241.07364	0.3
243.12492	0.3
253.18048	4.6
267.07016	0.4
271.19113	3.4
283.02505	0.9
304.19583	0.3
323.07919	0.4
327.21829	0.4
337.38608	0.3
344.21692	0.4
345.22772	26.4
346.23093	1.8
360.76147	0.3
411.13287	1.3
419.24438	0.5
461.14841	66.5
462.15140	6.3
462.21176	0.5
466.39749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
61.98811	0.8
69.28926	0.2
69.46272	0.5
69.46684	1.0
71.01373	2.5
73.02910	0.2
79.95729	3.7
81.74932	0.2
85.02921	0.3
87.04524	0.4
93.03454	3.8
93.13343	0.2
93.51060	0.3
95.01334	0.2
95.95236	0.6
96.96005	100.0
97.06535	0.3
97.95954	0.3
99.92574	0.4
109.06638	0.2
112.98523	0.4
113.02437	0.2
115.00365	1.4
115.92070	0.3
117.03495	0.4
133.01431	0.5
133.02931	0.7
135.04558	0.7
137.02440	9.0
155.59225	0.3
161.02426	2.0
161.04553	0.4
161.76021	0.3
163.00381	0.5
167.87077	0.3
179.03487	0.6
183.13937	0.4
191.05640	0.3
195.13982	0.4
201.11375	0.3
207.10341	0.3
221.04515	0.3
223.06354	0.3
225.11343	0.4
227.03316	0.2
253.18086	1.3
255.02925	0.7
269.04520	0.4
270.53833	0.3
271.19147	2.3
283.02451	3.5
284.03214	0.8
285.04037	0.3
297.04117	0.7
298.04724	0.3
323.07614	1.6
345.22772	8.5
346.23053	0.8
376.51682	0.3
411.13098	1.2
461.15002	56.7
462.09479	0.3
462.15308	5.7
462.21295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
50.12439	0.2
53.33810	0.1
55.01871	0.5
57.03442	0.4
58.00599	0.3
59.01376	100.0
60.01701	1.0
60.30183	0.1
61.98829	0.5
69.03484	0.2
69.28104	0.3
69.28510	0.9
71.01379	8.2
72.01723	0.1
72.42547	0.1
72.99310	0.2
73.02943	2.4
83.01379	1.0
85.02946	4.4
87.00899	0.4
87.04507	1.2
89.02439	1.8
89.06268	0.2
95.01385	1.0
97.02950	0.1
98.19923	0.2
99.00875	1.2
101.02434	4.1
112.01628	0.2
113.02444	7.7
114.02854	0.2
115.00392	0.3
119.03542	0.5
120.01224	0.3
125.02402	0.2
143.03503	0.5
157.32997	0.1
159.03018	0.5
161.04550	3.2
163.43439	0.1
165.71178	0.2
171.10295	0.3
172.29700	0.1
179.05710	0.2
201.11343	0.1
209.29347	0.1
229.14514	0.2
255.19673	0.4
287.87219	0.1
343.21219	2.2
397.21902	0.2
399.23837	8.8
400.24109	0.9
417.24939	4.0
418.25333	0.3
459.22705	0.2
459.26157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2901
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.16696	0.3
64.55947	0.3
70.65529	0.7
70.65881	0.3
75.29870	0.3
107.05017	28.3
108.05364	0.6
121.06530	0.3
132.84471	0.4
133.50456	0.3
147.08209	0.4
152.70224	0.3
163.11270	100.0
164.11594	4.6
238.09846	0.4
252.03868	0.3
259.75064	0.3
280.14606	0.5
283.17004	27.8
284.17401	1.8
295.17004	16.1
296.17340	1.4
316.06693	0.3
342.27185	0.3
399.76810	0.3
459.28998	87.2
460.29346	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	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61634	0.5
55.01876	0.7
59.01381	11.2
61.98822	2.4
69.52640	2.8
71.01379	16.8
71.01774	0.9
72.99316	0.9
73.02941	3.5
75.00887	0.6
83.05064	0.6
85.02962	1.3
87.00894	0.7
89.02435	0.7
91.02354	0.6
92.76968	0.6
93.03465	1.0
95.05016	0.8
101.02428	1.3
102.98593	0.6
105.03397	0.5
110.00109	0.8
113.02418	1.1
115.00370	7.0
120.58619	0.6
120.99726	0.6
125.88660	0.5
131.03502	0.8
133.01419	8.8
133.02933	3.1
135.04495	0.8
151.00417	0.9
159.04515	0.8
161.04634	0.5
165.01872	1.2
167.14388	0.8
177.01901	3.2
178.02699	1.0
181.08777	0.7
183.04491	2.1
183.10269	0.8
209.11853	3.8
210.12215	0.6
211.03987	2.9
211.13362	1.5
227.03494	13.9
227.05727	0.7
227.22081	0.5
228.04123	2.0
229.14459	4.8
243.06627	0.6
255.02969	51.0
255.10248	2.4
256.03525	5.6
269.04935	0.8
271.06128	1.6
283.02451	100.0
284.03098	19.2
285.03558	1.0
298.04807	83.3
299.05539	48.0
299.12796	0.7
300.05945	3.3
311.05588	0.6
341.06516	1.2
345.19174	14.0
345.22629	0.9
345.26074	0.6
346.19534	1.2
401.24045	0.5
419.24179	2.7
461.10849	76.8
461.24503	1.8
462.11337	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	459.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35909	0.4
55.01878	0.6
57.03444	1.6
58.00603	0.4
59.01375	100.0
60.01710	0.9
61.98821	1.3
62.16570	0.3
69.03463	0.4
71.01378	17.0
71.16637	0.3
72.01719	0.4
72.99329	0.9
73.02940	5.9
73.03310	0.5
81.03462	0.4
83.01389	2.9
85.02947	5.5
87.00893	1.2
87.04518	1.1
89.02442	4.8
95.01400	1.4
96.96019	0.5
97.02963	1.0
99.00856	2.0
101.02435	10.4
111.00867	0.6
113.02442	7.0
113.03180	0.6
115.00372	2.3
115.04153	0.3
119.03481	2.1
125.02458	1.0
130.08887	0.4
133.01448	2.2
143.03510	1.4
161.04552	4.7
165.12865	1.2
169.12396	0.6
179.05588	0.6
183.13872	5.0
227.12877	7.0
255.19753	0.6
263.12924	0.5
297.20770	0.4
329.19760	0.9
343.14398	0.5
343.21170	3.5
381.22916	0.8
399.23819	15.8
400.24332	1.4
415.19775	0.8
417.24918	13.3
418.25439	1.2
459.22858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
56.73986	0.3
57.03452	0.6
58.00591	0.3
59.01377	100.0
59.84294	0.2
60.01709	0.8
61.98827	1.8
69.30182	1.4
69.30598	0.6
69.45854	0.2
71.01381	11.7
72.99299	0.5
73.02947	4.4
75.00859	0.3
79.95763	0.3
83.01392	1.8
85.02936	3.2
87.00870	0.8
87.04524	0.8
89.02440	5.6
89.02955	0.4
95.01398	0.7
96.96032	0.9
97.02969	0.4
99.00914	0.5
101.02440	6.4
101.06110	0.5
109.03004	0.3
113.02443	3.7
115.00374	1.5
117.74187	0.2
119.03500	1.4
124.01643	0.3
125.02467	0.6
131.03453	0.3
133.01462	0.9
143.03525	0.8
161.04549	2.8
165.12811	0.3
167.14464	0.3
179.03378	0.2
179.05612	0.9
183.13943	1.0
187.07675	0.5
188.70665	0.3
197.11823	0.4
197.75000	0.3
202.06279	0.3
227.12888	1.5
255.19583	0.5
263.12930	0.6
343.21109	2.5
381.23026	0.6
399.23904	3.8
400.24170	0.3
417.24899	3.9
418.25464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28297	0.3
59.01357	0.8
61.81569	0.3
61.98825	0.5
62.31796	0.3
70.66393	0.3
70.84407	0.8
71.01367	0.4
73.02942	42.1
74.03288	0.5
87.75842	0.3
92.09207	0.4
92.95995	0.5
99.00876	5.5
116.92840	1.0
117.01935	100.0
118.02268	2.0
139.59666	0.3
142.53256	0.3
154.69048	0.3
172.19572	0.4
185.32640	0.3
237.00266	0.4
281.48026	0.4
341.10590	0.4
344.06821	0.3
458.98279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01333	0.3
61.83937	0.3
71.01379	0.6
71.24598	0.5
73.02942	41.1
74.03286	0.6
82.22913	0.3
89.12472	0.3
97.60588	0.2
99.00871	5.5
107.48104	0.3
117.01933	100.0
118.02241	1.8
194.45772	0.2
221.89485	0.3
223.94031	0.3
233.34476	0.3
341.10852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03451	4.0
58.20731	0.8
59.01381	18.5
60.99287	1.1
61.98823	5.5
71.01379	30.1
71.05025	4.3
71.51672	1.0
72.99303	0.9
73.02959	5.2
80.76122	0.8
83.05045	1.0
83.49046	0.7
85.02959	2.8
87.00864	2.3
88.98798	3.7
89.02454	1.7
91.04588	0.8
91.15210	0.9
93.03481	1.0
99.00873	2.2
101.02437	64.8
102.02745	0.9
111.08154	12.4
113.02446	1.0
114.05598	1.4
115.00368	21.1
116.92847	1.3
123.08183	1.1
125.09792	1.1
126.03188	0.9
133.01419	6.2
133.02971	1.5
135.04509	6.4
135.08145	2.4
137.09721	21.7
138.10106	0.9
145.01424	100.0
146.01782	2.2
147.35692	0.8
151.07649	3.6
153.12828	3.3
155.07129	1.0
161.02457	4.7
161.04512	1.3
163.69308	0.7
171.10248	4.9
175.02512	2.0
175.14865	1.2
179.03455	1.0
181.12265	0.9
193.14131	0.7
193.15936	16.3
197.11839	7.7
219.13844	3.7
221.11772	1.4
234.29553	0.9
237.14926	12.3
263.12857	2.2
267.71313	0.8
281.13928	63.2
282.14218	4.7
313.13315	1.0
325.12900	27.4
326.13275	1.7
339.08533	1.2
343.13953	62.2
343.20828	16.5
344.14255	5.7
344.21576	0.8
441.13864	1.7
459.14914	11.6
459.22192	2.5
460.14841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03445	0.6
58.00593	1.1
59.01376	100.0
60.01704	0.7
60.92554	0.2
61.98820	0.6
68.46091	0.2
69.03459	0.7
69.28596	1.0
69.29015	0.7
71.01378	23.5
71.04995	0.4
72.01739	0.4
72.99303	1.3
73.02942	16.3
74.03300	0.3
75.00886	0.3
81.03465	0.3
83.01382	4.4
85.02938	4.5
87.00843	0.9
89.02439	18.8
95.01373	1.3
96.96038	0.3
97.02949	0.4
98.19864	0.3
99.00881	0.5
101.02436	19.3
102.02773	0.4
103.41064	0.2
111.04379	0.2
112.65341	0.2
113.02444	11.4
113.59589	0.2
114.02773	0.3
115.00395	0.4
119.03492	6.9
125.02449	0.7
127.61155	0.2
131.03517	1.9
133.01408	0.3
137.09811	0.2
143.03487	2.0
143.10814	0.5
145.33363	0.2
149.04553	1.8
155.03482	0.4
161.04543	4.2
167.07372	0.2
173.50011	0.2
179.05579	2.2
180.75117	0.2
183.13898	0.4
184.14175	0.3
185.11861	0.7
186.12151	0.4
218.84850	0.2
225.11389	0.2
228.16145	0.3
229.16470	0.2
341.19855	0.4
342.22925	0.3
397.22153	0.5
415.23428	0.5
457.15533	0.3
457.24301	0.4
457.29971	3.4
458.30600	0.3
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
57.03449	0.4
59.01377	100.0
60.01718	1.0
61.98831	1.6
65.63531	0.3
68.39864	0.3
70.65090	0.6
71.01396	1.4
86.62601	0.4
101.02435	0.7
115.00355	0.6
116.20786	0.4
128.79787	0.4
132.87628	0.3
133.01480	0.5
178.02832	0.3
192.58145	0.3
208.03008	0.3
341.14005	0.6
341.27280	0.5
379.50195	0.3
392.58157	0.3
401.84702	0.4
455.34601	0.3
457.28204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91206	6.5
59.01373	73.5
61.98826	14.0
63.37635	5.2
65.45851	7.0
70.00988	24.8
71.01382	90.6
76.06857	4.9
85.02943	6.3
87.00839	8.7
89.02441	100.0
98.20044	7.8
101.02438	18.3
110.90080	5.2
113.02434	17.1
119.03476	11.1
150.35176	5.4
161.04507	9.9
179.05598	24.9
199.70764	7.0
225.07936	6.0
261.37885	6.9
277.21710	88.8
278.22067	10.8
281.57642	5.4
361.43082	6.9
407.10583	6.9
457.35834	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	459.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.00591	0.4
59.01377	14.9
60.73870	0.2
61.98829	1.7
65.00312	0.2
65.03961	3.1
67.01889	1.4
71.01380	10.6
71.05026	0.4
72.99306	1.5
73.02958	0.8
82.22289	0.2
83.01376	0.5
83.05011	0.3
85.02929	2.0
85.06610	0.3
87.00867	0.5
89.02443	6.9
91.01317	0.5
91.01891	9.5
95.01418	0.5
95.05020	0.4
96.96019	0.7
98.20698	0.7
101.02444	3.3
101.42082	0.2
108.02197	0.3
109.02947	26.8
109.06598	0.3
110.03283	0.7
113.02438	3.1
115.00363	2.6
119.03508	2.2
119.05000	0.3
121.02928	0.2
125.02405	0.4
125.09782	0.3
131.03513	0.3
133.01450	0.8
133.02943	0.9
135.00877	33.3
135.04510	0.7
136.01135	1.1
143.03502	0.8
145.02951	0.8
147.04562	0.6
148.01646	0.3
148.05295	0.3
149.02431	0.3
151.03984	0.4
153.01927	100.0
154.02267	3.1
159.04416	0.3
161.02478	1.3
161.04572	0.9
163.03996	1.3
171.10248	2.1
173.02446	1.1
175.03992	0.8
177.01933	1.7
177.03290	0.3
179.03525	0.4
179.05598	1.4
181.12375	0.4
185.11861	0.5
187.03987	4.0
189.01959	0.9
191.03481	0.8
197.11765	0.4
203.03520	0.8
205.01430	1.0
207.02946	1.8
209.11832	1.3
211.13394	1.7
227.12877	0.3
229.14420	2.1
231.03018	0.3
233.04570	0.5
237.14932	0.5
249.04059	0.9
249.14981	0.4
261.04047	0.9
263.16574	0.2
279.05078	15.7
280.05426	0.9
289.18341	0.3
297.06140	0.6
307.19135	0.5
317.07660	0.2
325.20258	0.8
332.68405	0.2
343.02701	0.2
343.21204	20.8
344.21576	1.4
445.21692	0.2
459.11447	5.2
459.22290	0.5
460.11816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03446	0.4
58.00599	0.8
59.01375	100.0
60.01702	0.7
61.98827	0.5
68.72160	0.2
68.79940	0.2
68.99567	0.3
69.03462	0.3
70.99574	0.5
71.01376	17.8
72.99315	0.8
73.02941	11.5
73.85158	0.2
75.00864	0.3
81.93684	0.3
83.01387	3.5
85.02940	3.4
87.00909	0.6
89.02438	15.0
95.01397	1.0
96.96061	0.3
99.00900	0.3
101.02435	14.3
113.02443	9.3
113.03257	0.3
119.03484	5.3
119.04931	0.4
123.56047	0.2
125.02425	0.6
131.03470	1.4
135.04555	0.2
143.03519	1.5
149.04578	1.4
161.04546	3.2
163.04068	0.6
177.35800	0.3
178.06418	0.4
179.05606	1.6
193.08688	0.6
221.06778	0.3
355.59833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03456	0.5
58.00607	0.7
59.01377	100.0
60.01712	1.0
61.98833	3.6
62.28537	0.2
63.96264	0.2
66.36353	0.2
69.03468	0.3
71.01379	21.4
71.51009	0.3
72.78653	0.2
72.99311	1.0
73.02943	7.1
75.00859	0.4
83.01372	1.9
83.05025	0.4
84.14238	0.2
85.02956	4.0
87.00888	0.8
87.04532	0.3
88.65862	0.2
89.02438	6.6
95.01401	1.2
95.05044	0.5
95.40096	0.2
96.95995	0.7
97.06584	0.4
99.00871	1.3
99.04498	0.4
101.02436	8.2
109.06602	0.3
112.93740	0.5
113.02446	7.6
115.00376	7.0
116.07204	1.2
119.03495	2.2
119.05023	0.7
121.06596	0.2
125.02473	0.5
127.00366	0.5
131.03500	0.8
133.01424	1.7
135.04489	0.5
135.98425	0.3
143.03482	1.0
149.04550	0.3
158.08240	0.4
159.02992	0.6
161.04550	4.7
163.04036	0.3
163.11282	2.1
167.10797	0.3
169.49274	0.2
171.10246	0.3
179.03407	0.4
179.05621	0.8
181.12331	10.5
182.12694	0.4
207.10246	0.3
209.11800	0.4
217.12317	0.4
223.13435	0.3
225.11305	48.6
226.11613	2.4
235.17134	0.3
242.55811	0.2
253.18045	0.8
290.57877	0.2
341.12323	4.4
341.19217	1.4
342.12708	0.3
342.19241	1.2
397.22293	1.9
415.18585	0.2
415.23462	1.6
457.13281	1.2
457.19638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45811	0.3
55.01886	0.6
57.03449	1.1
58.00590	1.0
58.38756	0.3
59.01378	100.0
60.01719	0.9
61.98817	0.7
69.03465	0.5
71.01380	20.2
72.99301	0.9
73.02946	8.2
79.95749	0.4
83.01390	3.2
83.84790	0.4
85.02952	6.9
87.00890	1.3
89.02443	8.3
89.02943	0.6
89.50697	0.3
95.01366	1.9
96.96032	1.3
97.02949	0.6
97.06601	0.5
99.00855	1.8
101.02441	12.5
113.02446	9.0
114.06902	0.4
115.00363	0.6
119.03491	3.4
133.01393	0.5
141.09247	0.7
143.03540	1.0
154.09975	0.4
159.02974	0.6
161.04552	2.3
165.12885	1.4
179.05518	0.8
183.13910	0.5
235.17065	1.7
237.18526	0.5
253.18085	4.6
253.43903	0.5
357.34775	0.3
397.22287	12.0
398.22784	1.5
415.23358	16.4
416.23901	1.5
421.26172	2.1
439.22870	0.4
457.24728	3.3
480.01965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03444	1.5
58.00589	0.9
59.01378	11.4
61.98843	0.8
69.03455	0.6
71.01380	24.5
71.50916	0.7
72.99320	1.1
73.02944	7.3
75.00899	0.8
83.01398	3.0
85.02948	8.5
87.00885	1.5
89.02425	4.6
93.03429	0.8
95.01395	1.6
96.96017	1.3
99.00872	3.9
101.02445	16.9
109.02962	1.3
113.02428	7.7
115.00356	4.6
116.92892	1.0
117.03485	0.8
119.05026	100.0
120.05358	2.5
123.26114	0.7
125.02459	3.9
133.01468	3.6
134.03767	1.3
135.04521	51.7
136.04849	2.0
143.03494	1.1
145.02850	0.9
159.02969	1.3
159.04457	0.6
161.04575	8.9
161.05908	1.4
163.04004	58.4
164.04382	2.3
179.03491	73.6
180.03827	2.5
187.02464	1.3
193.73235	0.6
200.66057	0.6
203.03508	1.8
205.05103	1.4
218.05966	1.3
221.04471	1.2
233.08192	2.2
235.11841	10.2
236.06912	1.4
242.01479	0.7
251.09319	4.7
297.07748	0.9
336.95859	0.7
341.08868	9.6
342.09128	1.3
381.28793	0.7
391.75735	0.8
397.17139	38.2
398.17526	2.8
409.12341	0.8
457.13434	62.4
458.13635	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	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01334	0.1
71.46159	0.1
99.92577	5.1
100.92699	0.2
100.93359	4.4
113.44556	0.1
115.92072	100.0
116.92070	3.7
116.92857	6.2
117.92477	0.3
130.94429	0.1
132.92368	1.2
142.94388	0.2
144.47528	0.1
152.46754	0.1
155.95203	0.3
172.95456	6.9
173.95541	0.4
210.90529	0.2
283.26419	0.9
383.19052	0.6
384.19476	0.2
399.18451	0.2
409.20667	0.8
439.21344	0.4
457.22559	6.4
458.22568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01376	8.5
61.98827	1.5
71.01380	5.1
71.51283	0.3
72.99309	0.8
73.02940	1.2
76.85804	0.3
79.95727	4.0
80.96512	1.6
83.01385	1.4
85.02953	1.4
87.04510	1.5
89.02416	0.6
95.01431	0.4
95.95225	3.9
96.96004	67.3
99.00862	0.7
101.02438	3.5
102.40769	0.4
113.02435	1.0
115.00356	1.2
122.97588	1.0
127.00450	0.3
133.01436	1.0
133.02975	0.5
134.35847	0.3
135.04448	0.4
136.04863	0.4
138.97075	1.2
150.97047	1.9
161.04593	0.3
163.85779	0.4
164.98602	0.5
165.01889	0.4
177.04022	0.6
180.98122	1.1
191.28041	0.4
222.99136	0.4
225.00731	0.9
241.00221	4.9
253.18123	0.4
253.25621	0.4
341.13983	0.6
341.23264	2.0
369.12186	49.4
370.12518	3.5
397.22287	0.5
415.23276	1.2
457.17419	100.0
458.17795	8.2
458.24472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39872	0.3
59.01376	5.0
61.16433	0.3
61.98824	0.7
69.45261	2.3
71.01375	3.1
72.99303	0.5
73.02937	1.1
74.07994	0.3
79.95738	4.6
80.96513	2.2
83.01392	0.6
85.02949	0.9
87.00882	0.4
87.04515	1.1
89.02441	0.4
90.38643	0.3
95.95230	3.4
96.96008	67.8
99.00874	0.4
101.02428	1.3
107.28989	0.3
113.02440	0.8
113.69556	0.3
115.00359	1.2
119.28171	0.3
122.97575	1.0
133.01434	1.0
135.04489	0.5
138.97107	1.5
150.45882	0.4
150.97073	1.5
152.98625	0.4
164.98582	0.7
180.98085	1.3
225.00761	1.1
230.09305	0.3
238.36389	0.4
241.00262	4.5
256.99704	0.6
341.23297	0.4
369.12192	47.8
370.12405	3.4
457.17343	100.0
458.17636	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	457.1749
Annotation	Neotrilobine
Peak:m/z	Relative Intensity
59.01376	3.6
60.06920	0.2
61.98824	2.7
67.54996	0.2
70.84041	0.6
70.84380	0.3
71.01373	1.8
72.99304	0.3
73.02923	0.5
79.95727	3.6
80.96524	1.4
83.01387	0.6
85.02947	0.9
87.00887	0.3
87.04516	1.6
95.95229	3.5
96.96003	65.6
99.00876	0.3
101.02423	1.3
113.02435	0.5
122.97580	1.0
134.03720	0.3
138.97050	1.0
143.03554	0.3
146.78485	0.2
150.97095	1.4
152.98610	0.4
164.98630	0.7
177.04007	0.2
178.02673	0.4
180.98141	1.0
222.99104	0.3
225.00737	1.1
241.00223	4.5
256.99799	0.3
369.12186	46.3
370.12524	2.8
457.17416	100.0
458.17786	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
56.50765	0.7
57.03440	0.6
59.01376	93.9
60.01711	0.7
61.98829	6.4
69.03440	0.6
71.01377	40.0
71.11224	1.1
72.99290	1.4
73.02943	17.1
79.95753	0.5
80.66369	0.6
80.96507	0.7
83.01378	3.3
83.05051	1.0
85.02941	3.8
87.00885	1.4
88.98798	1.2
89.01921	1.1
89.02436	9.3
89.61233	0.5
95.01413	0.9
95.05011	1.1
96.96019	1.9
97.06597	0.8
99.00883	1.7
101.02429	12.3
109.06531	0.6
113.02442	8.7
115.00368	28.5
116.00697	0.7
119.03522	3.4
119.05032	7.2
121.06624	0.7
131.03474	0.9
133.01421	20.2
135.04495	2.2
135.98358	0.9
143.03529	1.4
149.04549	1.0
159.02986	0.8
161.04544	5.1
163.04027	3.5
163.11279	7.6
179.03453	1.1
179.05573	1.2
181.12321	63.1
182.12590	3.1
201.11243	0.9
207.10249	3.9
209.11771	1.0
225.11295	100.0
226.11665	5.5
323.18549	0.7
340.08813	0.8
341.12402	13.9
341.19437	6.6
342.12741	0.9
342.19730	0.6
397.22345	2.3
397.84845	0.7
415.23370	0.9
457.13364	5.9
457.24042	0.9
458.14096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1709
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
55.01870	1.6
57.03433	1.1
59.01376	40.6
61.98819	1.7
69.03419	0.5
69.48380	3.4
70.84142	0.6
71.01378	39.9
71.51614	0.5
72.99299	1.3
73.02943	11.8
75.00861	1.3
81.03480	0.6
83.01392	4.0
85.02943	9.9
87.00846	1.4
89.02444	8.2
91.43576	0.5
93.03465	0.6
95.01389	1.9
96.95999	1.2
97.02946	1.0
99.00871	14.7
101.02441	16.6
113.02442	13.1
115.00369	9.1
119.03534	1.1
119.05033	1.6
121.02946	0.7
125.02457	1.4
131.03493	1.7
133.01427	4.6
135.02980	3.7
143.03493	2.6
147.04485	0.8
148.05296	100.0
149.06046	5.6
159.03020	2.9
161.04543	28.1
162.04869	0.7
163.03966	1.6
163.07635	76.5
164.07939	3.0
179.03362	0.7
179.10759	2.2
181.12334	11.6
183.09096	0.5
191.05646	2.8
203.05525	0.8
223.09763	0.9
225.11298	18.4
226.11685	1.1
251.43623	0.5
293.08990	1.0
325.12875	2.0
341.12485	4.8
341.19565	1.4
343.08395	0.8
370.18277	0.6
397.22302	2.0
457.17139	43.6
458.17288	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73853	0.4
59.01370	1.3
60.03619	0.4
61.55768	0.4
69.90105	0.9
69.90486	0.8
71.01382	1.7
73.43610	0.4
89.02456	0.8
90.29679	0.3
90.88571	0.4
93.03406	0.7
99.00879	1.3
101.02435	0.9
109.02908	0.6
113.02454	0.8
119.05018	100.0
120.05365	3.4
125.02431	1.0
127.54711	0.4
145.02943	0.5
161.06056	0.9
163.03999	55.5
164.04335	2.0
167.39052	0.3
205.05026	1.0
325.09479	0.7
341.06729	0.5
457.13467	62.2
458.13824	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	457.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79782	0.5
59.01380	7.9
59.54999	0.5
61.98858	2.1
64.46326	0.5
64.73658	0.5
71.01376	10.1
71.50618	0.5
72.99319	1.2
73.02979	1.0
74.84235	0.5
75.43511	0.5
84.01152	0.5
85.02959	1.3
89.02436	4.2
93.03458	0.7
93.98278	0.5
96.96001	2.4
99.00906	0.9
101.02416	2.9
109.02946	5.9
111.04511	0.7
113.02481	1.4
115.00371	11.3
115.01167	0.7
115.84919	0.5
119.03558	2.6
119.05019	59.5
119.20426	0.6
120.05369	1.7
121.02961	0.9
123.08145	0.6
125.02455	1.8
133.01425	15.4
134.03790	1.4
135.04517	84.6
136.04907	2.7
145.02965	2.4
161.02397	2.1
161.06075	2.3
163.03996	32.1
164.04352	1.2
176.92680	0.5
179.03485	100.0
180.03816	4.3
187.02420	0.9
189.12796	0.7
205.04976	1.3
242.13356	0.5
253.04739	0.6
277.10605	1.4
281.04434	1.2
297.07364	1.0
325.08942	0.6
341.08917	50.2
342.09290	4.0
342.31296	0.5
387.20029	0.5
411.73511	0.6
432.87189	0.6
439.13376	0.6
457.12811	36.0
458.13055	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	457.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51609	0.7
59.01369	2.4
69.70471	1.8
69.70878	2.6
70.26453	0.7
71.01379	16.5
72.99302	3.3
87.00896	1.0
89.02456	2.2
96.95965	1.0
98.20704	0.8
99.00876	1.7
101.02468	1.3
109.02947	6.9
113.02498	1.0
115.00368	41.4
119.05022	100.0
120.05359	3.2
124.20224	0.8
125.02453	3.4
133.01428	76.7
133.03027	2.2
134.03845	0.8
135.04518	46.6
136.04878	1.7
145.02936	3.3
161.02425	8.3
161.06056	3.9
163.04002	51.7
164.04308	1.8
179.03487	60.3
180.03867	2.0
187.02492	1.4
205.05000	1.2
240.04251	0.8
274.69223	0.8
281.04541	2.4
297.07614	2.5
305.04578	1.2
323.07709	3.3
341.08981	46.9
342.09079	2.8
397.99152	0.7
457.13495	58.5
458.13803	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	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76013	0.9
53.26399	0.8
59.01380	7.1
61.98817	3.1
71.01377	18.7
71.10872	1.7
72.15981	0.7
72.99297	1.0
85.02953	0.9
94.31644	0.7
96.95998	3.0
103.71377	0.9
109.02945	57.3
110.03275	1.9
115.00366	20.3
119.05032	1.6
122.21839	0.8
133.01434	8.5
133.02957	1.8
134.03709	1.2
135.04507	18.0
136.04825	1.3
137.02420	1.4
145.02936	24.8
146.03711	1.2
151.03992	2.4
159.04501	2.4
161.02440	11.3
161.06065	16.7
163.03967	1.4
175.03941	1.1
179.03487	22.1
181.12328	3.1
187.03989	7.0
205.05057	3.3
211.03978	1.7
225.05450	1.4
225.11261	5.0
231.03049	1.3
237.05592	1.8
238.29297	0.9
239.03441	3.0
240.04260	3.1
251.07242	1.3
253.05040	5.8
255.06563	7.3
269.08102	0.9
279.02945	1.1
279.06488	1.4
281.04538	20.9
282.04941	1.7
295.06067	1.4
297.07666	18.1
299.05316	1.1
305.04489	1.2
323.05563	2.2
329.27234	0.8
341.06613	100.0
342.06888	6.4
457.07794	1.1
457.18234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
69.83327	3.1
71.01375	17.4
72.99310	0.7
73.02930	0.8
76.75568	0.7
96.96008	7.8
98.95573	1.1
108.02147	1.4
109.02944	56.7
110.03276	2.0
113.02483	0.8
115.00370	18.7
119.05004	1.3
125.02488	3.5
133.01393	8.6
135.04517	19.8
136.04834	1.3
145.02953	23.4
146.03694	1.7
151.03969	2.5
159.04439	3.5
161.02435	12.5
161.06068	18.9
162.06308	1.1
163.04051	1.2
179.03479	18.6
181.12328	2.0
187.02426	1.4
187.03978	6.0
205.05034	2.4
209.06018	1.1
211.03856	1.1
225.05621	0.8
225.11319	2.6
231.02954	1.5
237.05556	1.3
238.06256	0.8
239.03526	2.3
240.04205	3.5
251.03252	0.9
253.05006	5.8
255.06538	7.3
269.08139	1.0
279.06635	2.8
281.04517	17.8
282.05017	2.3
297.04446	1.4
297.07660	19.6
298.08014	1.0
299.05637	1.3
306.04657	1.0
323.05579	1.9
336.19568	0.9
341.06613	100.0
342.06934	7.5
466.58939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
58.90537	0.3
59.01374	6.8
61.98829	4.1
69.40676	2.7
71.01382	15.1
71.05024	3.7
73.02935	1.3
75.41392	0.4
77.97260	0.4
79.95735	0.6
81.03455	5.0
83.05024	34.8
84.05342	1.0
87.39642	0.4
89.02438	0.7
95.95281	0.7
96.08141	0.5
96.95987	2.9
97.06586	0.7
99.08125	0.8
101.02428	0.8
109.06539	0.4
110.06096	0.4
111.08119	0.6
111.51534	0.4
113.02465	0.4
113.09709	3.7
114.09228	1.5
115.00367	11.4
115.07645	15.0
127.04025	4.5
128.10788	0.7
133.01427	2.9
135.04504	1.4
137.09700	1.5
138.09282	0.4
139.07651	32.3
139.11278	5.4
140.07964	1.2
140.10783	0.5
143.07091	0.6
143.10762	1.6
145.05058	0.5
155.10770	0.4
156.10292	15.6
157.08693	46.3
158.09091	2.0
158.11856	16.0
159.12161	0.7
179.03467	1.4
180.03906	0.5
180.13907	0.9
181.10832	0.6
181.12329	6.6
182.12675	0.5
183.10271	3.1
185.11789	1.3
186.11365	0.6
194.11816	0.6
198.15079	0.4
199.09752	21.9
199.13371	1.7
200.10002	1.1
200.13791	0.4
201.11348	2.1
206.11838	0.6
224.12929	8.8
225.13129	0.5
226.14542	1.3
242.13947	8.2
252.12256	0.5
253.18048	1.2
256.99585	0.4
274.84000	0.4
292.19220	0.5
322.20212	0.7
340.21252	100.0
341.21603	8.6
446.17941	0.4
456.19800	1.9
456.25919	1.5
456.30826	0.6
457.19775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18195	0.5
52.58139	0.5
59.01378	20.5
60.84580	0.4
61.98823	2.5
68.20120	0.4
69.20480	3.0
69.20884	1.4
71.01379	21.5
71.05016	4.1
72.99306	0.7
73.02951	2.1
79.95738	0.6
81.03455	22.8
81.16702	0.4
82.03791	0.6
83.01383	1.8
83.05022	100.0
84.05353	2.4
85.02947	2.0
86.02472	5.7
89.02428	2.4
96.96019	5.4
97.06593	2.3
100.07671	0.8
101.02426	4.0
101.06077	13.7
113.02444	1.6
113.09716	0.6
114.09226	1.0
115.00372	14.9
115.07646	4.0
115.50677	0.5
118.27472	0.4
124.07682	0.6
125.09724	0.5
127.04007	7.6
127.11276	8.4
133.01430	3.0
135.04497	2.4
136.04839	0.6
142.08723	9.2
144.10281	2.7
145.05063	42.2
146.05431	1.2
153.12868	1.8
163.11270	0.7
164.14441	1.2
169.12340	12.2
170.08252	1.3
179.03482	1.4
180.03842	1.0
181.12308	3.9
182.15480	2.3
188.09270	24.4
189.09532	0.7
193.53813	0.5
199.09840	0.7
199.13385	2.0
212.16559	2.9
220.17017	0.7
240.44867	0.5
242.13947	10.7
248.20224	1.0
253.18106	1.0
271.15530	0.6
274.98697	0.5
292.19159	4.0
322.20203	11.3
323.20575	0.7
340.21246	73.0
341.21649	7.0
397.22244	2.4
415.23135	3.3
456.22986	1.0
456.29578	1.8
457.17157	2.5
457.21823	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	456.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.5
61.98827	3.3
69.43154	0.5
70.60274	1.4
71.01378	17.4
71.05022	3.1
73.02943	2.0
79.95712	0.8
81.03458	7.2
83.05023	44.5
84.05336	1.3
85.02943	0.9
86.51530	0.6
89.02419	1.6
91.67716	0.5
95.95186	0.7
96.96008	3.3
97.06596	1.5
101.02446	1.6
101.06042	0.9
113.09726	5.1
114.09230	1.7
115.00365	14.8
115.07645	11.8
116.07911	0.7
127.04012	5.5
127.11229	1.0
128.10796	0.6
133.01451	2.7
135.04497	1.6
136.04832	1.2
137.09720	2.4
138.09219	0.8
139.07642	27.6
139.11259	1.5
140.08043	0.8
140.10840	0.8
145.05057	3.6
155.10754	1.2
156.10286	8.4
157.08693	48.0
158.09036	1.4
158.11855	9.7
161.04495	1.0
163.07684	0.6
179.03477	1.7
180.03775	1.3
180.13870	1.9
181.08691	0.9
181.12334	17.1
183.10188	1.6
186.11356	1.0
188.09268	0.9
199.09737	22.9
199.13438	2.8
200.10060	1.0
206.11943	0.9
211.13145	0.6
216.47090	0.5
224.12932	8.8
242.13976	11.2
243.14168	0.6
271.15488	1.3
322.20126	1.9
340.21240	100.0
341.21570	9.3
356.58850	0.5
397.22537	0.6
415.23126	1.2
425.35214	0.5
456.25601	0.8
456.35419	0.8
457.21109	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	454.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93683	0.5
59.01072	1.0
59.01376	25.3
61.98827	100.0
63.81865	0.5
71.01373	3.4
98.19808	1.3
100.11481	0.6
101.02448	1.4
101.92661	0.5
111.00912	0.6
113.02466	0.7
115.00400	0.9
116.74150	0.6
155.10838	1.1
165.19496	0.6
210.14975	1.0
305.19739	2.4
321.16010	0.5
339.25574	1.3
424.21783	0.5
454.24448	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	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64085	0.2
59.01376	1.0
61.98828	100.0
65.81368	0.2
69.18639	0.6
69.19043	1.8
71.01386	0.5
73.79618	0.2
74.88536	0.2
85.18387	0.2
107.03581	0.3
208.76711	0.3
287.70047	0.3
296.48627	0.3
350.19305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29063	0.4
56.75296	0.5
59.01379	2.0
61.98827	100.0
68.33275	0.4
68.96524	0.4
69.16549	3.2
69.16956	0.8
71.01383	1.5
77.85010	0.4
84.82713	0.4
98.20677	0.9
133.01479	0.9
339.25620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03445	1.2
58.00584	0.8
59.01374	100.0
60.01709	1.0
61.98846	0.3
64.35339	0.3
69.03453	0.3
69.29346	1.9
69.29749	0.6
71.01376	27.2
71.05011	0.4
72.99312	1.4
73.02940	20.0
73.37489	0.3
74.03306	0.3
75.00864	0.4
79.85407	0.3
83.01379	6.2
83.01836	0.6
83.05053	0.7
85.02943	8.1
87.00883	1.0
89.02438	8.4
90.30825	0.3
95.01385	2.0
96.95989	1.6
97.02956	0.7
99.00858	2.1
101.02436	22.4
102.02784	0.4
109.02946	0.8
113.02446	11.9
115.00395	0.4
115.07587	0.3
119.03499	3.3
121.06564	0.5
121.10220	0.8
123.08237	0.4
125.02459	0.7
129.01930	0.3
131.03511	1.3
135.04509	2.8
135.08159	1.0
139.07632	0.8
141.09245	1.4
143.03481	1.0
149.04559	0.7
155.03470	0.4
157.08704	0.8
159.02985	0.5
161.04538	4.0
163.11334	1.4
173.02411	0.3
179.03465	2.7
179.05707	0.4
199.09731	0.5
203.06111	0.4
205.15976	0.5
215.14503	1.0
233.15433	20.5
234.15804	1.2
235.17024	0.5
251.16554	2.2
295.06183	0.6
307.17676	0.5
339.21942	0.4
340.21259	2.2
377.19699	1.7
379.90674	0.3
395.20682	11.0
396.21167	0.9
413.21735	12.2
414.22144	0.9
455.18076	0.4
455.24146	1.7
456.29764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01376	20.5
61.98824	100.0
63.42352	0.5
69.25619	4.0
71.01376	11.7
72.99316	0.8
73.02940	16.1
75.00908	0.7
81.03458	0.6
83.01367	3.7
84.27120	0.4
85.02954	0.8
86.65694	0.4
88.98795	0.6
89.02451	0.6
96.96004	3.9
97.02960	0.8
99.04525	0.8
101.02438	11.5
103.23048	0.4
104.28901	0.4
113.02430	2.1
115.00382	1.1
125.02452	1.7
133.01472	0.6
135.04517	4.2
136.04895	0.6
143.03516	2.3
143.10770	26.1
143.73372	0.4
144.11099	1.0
155.03529	1.4
157.12334	3.9
161.04573	1.7
178.02782	0.9
179.03487	4.0
185.11786	2.9
203.05692	2.0
215.12856	0.7
267.85919	0.5
286.73029	0.5
295.06223	0.8
299.12762	0.5
454.18329	1.3
455.19037	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	452.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.0
59.73217	0.5
59.94276	0.5
60.08477	0.6
61.98827	100.0
71.01376	6.7
72.99331	0.9
73.02581	0.7
73.02914	2.9
77.06494	0.5
78.95925	0.6
79.95751	0.6
80.90080	0.5
80.93645	0.5
83.01401	1.4
84.32027	0.5
89.02457	2.1
96.95986	1.0
101.02419	3.8
105.63848	0.6
113.02463	1.7
115.00378	2.3
126.22726	0.6
133.01451	2.2
143.03481	0.5
149.04594	1.0
161.04594	1.6
178.02718	0.6
179.03406	0.6
209.11989	0.6
212.69489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.60125	0.2
61.98815	0.3
62.96404	0.2
78.95898	18.6
86.38566	0.1
96.96990	0.1
104.97430	0.2
118.37165	0.1
122.00114	1.0
122.98507	0.2
137.99588	0.1
140.01173	5.1
152.99567	1.5
166.02785	0.2
196.03778	9.7
214.04828	1.9
255.23260	100.0
256.23608	6.1
256.26294	0.2
271.05936	0.2
272.25195	0.2
329.53394	0.2
391.22299	0.2
452.27783	30.9
453.28079	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	453.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34677	0.6
53.42842	0.5
53.60070	0.5
54.02115	0.5
54.19629	0.5
59.01381	8.7
61.98827	17.6
71.01378	21.0
71.50893	0.6
71.51355	0.8
72.99308	3.6
73.02903	0.8
75.00839	1.3
79.95696	0.7
85.02924	1.6
87.00864	0.7
88.98798	0.8
89.02436	3.4
93.87511	0.6
94.52336	0.6
96.96007	13.0
97.72500	0.6
98.95554	3.7
98.96365	1.2
99.00848	1.0
101.02408	2.2
106.00816	0.7
109.02972	2.7
113.02402	0.7
115.00366	38.0
117.05569	5.4
125.02410	0.8
133.01419	61.4
133.02908	1.6
134.01752	1.3
134.03755	1.1
135.04506	4.2
136.01593	1.5
137.02437	1.0
146.03603	0.5
151.03940	1.0
161.02417	1.1
173.04565	1.2
177.01970	0.7
179.03462	1.9
183.10191	2.1
187.41620	0.5
191.05171	0.9
193.06551	0.9
197.06288	0.6
207.04469	1.2
209.06039	3.7
219.04477	4.2
220.05275	1.1
221.06136	1.4
221.07927	3.0
223.03967	1.5
235.03990	4.1
236.04761	2.9
237.05556	10.6
238.05916	1.3
247.03958	2.7
248.04744	10.2
249.05473	2.0
250.02664	0.7
251.03476	9.3
257.13904	0.9
263.03482	2.9
264.04236	25.6
264.07043	1.3
265.04996	19.6
265.07822	1.3
266.05261	1.6
267.06363	0.7
276.04181	1.4
291.02893	3.3
291.10886	1.0
292.03766	1.5
293.04523	77.5
294.01672	2.6
294.04880	5.9
295.02325	2.0
316.93030	0.6
319.02426	2.8
337.03500	100.0
338.03842	7.7
350.05780	0.6
365.14240	0.8
393.28577	5.4
409.13129	1.1
452.16904	2.5
452.33707	1.3
453.08911	2.0
453.16797	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	451.1648
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	5.0
60.01667	0.4
61.01793	0.5
61.95511	0.3
61.98829	7.1
64.83340	0.3
66.66943	0.3
71.01377	4.4
72.99308	0.7
73.02940	0.6
75.00867	1.7
79.95728	4.5
80.96522	2.0
83.01391	0.4
85.02945	0.7
87.00883	0.8
89.02460	0.5
93.03441	0.8
95.95234	1.9
96.96006	81.4
97.02970	0.4
98.20898	0.2
101.02436	1.1
104.41311	0.3
105.03442	0.4
115.00345	1.1
122.97556	0.9
125.65053	0.3
133.01408	0.9
133.02934	0.9
135.04492	0.8
138.97072	1.9
150.97069	1.2
152.07112	0.4
153.07570	0.5
164.98648	0.9
177.01915	1.0
177.09155	0.7
178.02708	0.4
179.03481	0.4
180.98164	0.7
191.05537	0.5
220.34787	0.3
221.11853	0.5
224.69760	0.3
225.00719	0.5
241.00215	3.2
246.76421	0.3
279.15771	0.4
383.07712	1.2
384.08035	1.1
388.15903	1.3
433.15485	0.3
451.16364	100.0
451.28934	2.4
452.16705	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08664	0.3
57.16539	0.3
58.35755	0.3
59.01377	5.9
61.98817	1.2
71.01384	2.2
72.99303	100.0
73.02979	0.3
73.99644	0.8
75.00869	2.2
87.00870	5.3
87.97020	0.3
89.02436	0.4
96.96008	1.0
101.02441	0.7
105.01926	63.2
106.02293	0.9
113.55759	0.3
115.00352	0.5
117.01907	1.7
117.45619	0.3
133.01424	2.7
135.04503	0.4
161.00903	35.2
162.01266	0.7
230.03175	0.5
266.36044	0.3
295.96887	0.4
335.05447	0.3
451.19266	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0701
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
53.76741	0.2
59.01378	0.4
61.98825	0.3
65.66637	0.2
69.65710	0.5
69.66109	1.2
71.01368	0.2
79.95735	4.8
87.05238	0.2
94.64920	0.2
96.96006	100.0
110.97538	0.2
123.04486	0.2
127.16599	0.2
127.58375	0.2
133.03004	0.3
137.02448	0.7
160.05327	0.4
191.07065	0.2
199.12691	0.2
239.07121	0.6
249.05595	0.2
250.06282	0.2
251.07298	0.3
266.05930	0.3
267.06595	2.3
279.06519	0.5
282.09012	0.8
294.05399	0.3
309.07773	0.4
311.05582	0.3
323.05518	0.4
326.04453	0.2
326.07840	1.0
338.07947	0.5
341.10150	0.9
353.10059	0.3
371.11746	0.2
451.06998	31.1
452.07355	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58204	0.3
56.05318	0.3
59.01376	3.2
60.01701	0.5
61.98827	100.0
62.88015	0.3
70.85301	0.7
71.01393	1.4
73.02940	0.4
89.02463	0.7
100.65303	0.3
101.02470	0.5
113.02385	0.4
115.00377	0.8
120.38284	0.3
133.01453	1.5
135.04546	1.0
136.04811	0.4
161.49725	0.3
171.10341	0.4
181.19885	0.4
197.08296	0.5
200.07198	1.5
213.57401	0.3
224.98981	0.3
249.06306	0.4
259.09167	0.3
406.11572	0.7
451.18341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08627	0.2
55.70166	0.2
57.03434	0.2
59.01373	1.8
60.99296	1.2
61.98825	1.4
71.01379	4.1
71.51814	0.2
71.52209	0.2
72.99312	0.4
73.02933	0.5
75.00862	0.7
79.95734	4.8
83.01381	0.6
85.02949	0.4
87.00853	0.2
88.98798	8.7
89.02448	0.4
92.34725	0.2
93.03446	0.2
95.95294	0.2
96.96006	100.0
97.95934	0.2
99.00886	0.3
101.02434	0.9
110.97601	0.3
111.04562	0.3
113.02426	0.4
115.00356	2.3
117.50085	0.2
119.03511	0.2
121.02953	0.3
125.02441	1.1
127.00342	0.4
133.01430	2.5
133.02954	0.7
134.03726	0.3
135.04483	0.9
136.01631	0.3
137.02408	0.7
143.03368	0.2
147.04591	0.2
159.04489	0.2
160.05298	0.4
161.04469	0.3
161.05891	0.2
175.02443	0.2
177.01920	0.6
177.16289	0.2
178.02713	0.6
178.87180	0.2
179.03453	1.2
187.02457	0.5
191.03520	0.2
191.05614	0.4
191.07190	0.2
194.05763	0.2
204.04361	0.2
211.07626	0.2
211.13470	0.1
219.06709	0.2
223.07631	0.2
237.05609	0.2
239.07138	0.6
239.52081	0.1
241.00256	0.2
250.06314	0.2
251.07013	0.4
263.06998	0.2
265.04834	0.2
267.06622	3.0
268.07028	0.3
275.09525	0.2
279.06531	0.5
279.09659	0.2
282.08929	1.3
294.05313	0.6
294.08902	0.4
295.06155	0.3
297.11420	0.3
308.06845	0.2
309.07803	0.8
309.11600	0.2
309.14844	0.8
310.08188	0.2
311.05588	0.3
322.08362	0.2
323.05655	0.8
326.07895	1.2
327.08780	0.3
327.15979	0.6
329.13797	0.2
335.18509	0.7
338.07980	1.0
341.10266	1.2
353.10184	0.7
371.11017	0.3
371.15295	0.2
397.13300	0.2
407.77658	0.2
450.21136	0.2
450.27744	0.2
451.06998	32.3
451.16083	5.3
451.28384	0.8
452.07309	3.7
452.16843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03680	0.6
59.01367	2.7
61.12728	0.7
61.98826	11.8
69.51413	3.9
78.95898	48.4
86.19086	0.5
86.83418	0.7
96.96950	5.7
98.20696	1.0
115.00404	0.7
116.92840	0.7
135.72960	0.6
150.97981	2.0
152.99577	100.0
153.99937	1.2
171.00633	4.8
193.27721	0.6
217.35349	0.7
218.64662	0.5
350.16068	0.7
389.27057	1.9
449.23013	18.6
450.23370	1.3
469.56451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2537
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
50.80957	0.8
51.87336	0.7
57.03447	1.6
59.01361	3.5
61.98833	4.3
69.97858	1.8
69.98263	1.6
71.01388	0.7
78.95907	19.8
96.96927	0.8
102.49712	0.8
116.92837	1.4
117.03500	1.6
133.02950	20.9
134.03749	4.8
135.04518	29.4
137.02444	3.4
139.04015	1.0
152.99582	24.9
153.00822	1.3
161.02429	100.0
162.02783	4.6
178.02681	1.2
179.03508	11.8
216.03429	0.9
251.53821	0.7
269.21329	0.9
287.22299	10.9
431.24500	3.6
449.25464	75.9
450.25815	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74256	0.6
70.24241	2.1
78.95895	8.2
92.40187	0.5
96.95983	1.0
103.06573	0.5
106.40215	0.6
110.98533	6.5
116.99891	0.5
130.03795	0.5
130.61378	0.5
152.99612	0.7
167.01146	5.7
185.02130	3.0
281.24829	100.0
282.25180	8.1
449.26611	16.0
450.27197	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2906
Annotation	Simplexin A
Peak:m/z	Relative Intensity
59.01377	27.0
61.98834	0.9
69.03440	2.4
71.01377	1.2
78.95888	0.6
84.61102	0.3
93.03471	0.3
96.95987	0.6
100.00317	0.3
115.00338	0.4
115.63876	0.3
133.01430	0.7
134.03769	0.3
135.04546	0.4
144.34679	0.3
145.03070	0.4
146.26512	0.3
178.02699	0.4
179.03493	0.5
191.05638	0.4
247.17114	0.4
287.20215	1.4
325.25259	0.4
341.24792	2.5
343.26297	2.7
344.26749	0.3
361.27423	7.3
362.27805	0.6
389.26947	29.2
390.27344	3.0
407.27988	100.0
408.28293	11.0
449.18515	1.4
449.29047	22.7
450.29315	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	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
60.01696	0.3
61.01802	0.8
61.98825	100.0
69.49132	1.9
71.01369	2.4
71.82339	0.3
72.99310	0.5
83.36806	0.3
85.02979	0.3
89.02452	0.9
90.02767	0.4
91.99342	0.3
96.96031	1.7
99.00883	0.8
101.02451	0.9
113.02484	0.6
113.61883	0.3
114.82977	0.3
115.00372	3.0
119.03519	0.5
120.99644	0.6
128.03580	0.3
133.01418	4.2
134.01790	0.6
135.04517	4.2
136.04814	2.2
143.04562	0.4
153.09238	0.3
161.04565	0.3
163.11247	0.7
176.01822	0.5
179.03429	0.3
179.86433	0.3
223.79405	0.3
247.05487	0.7
254.07744	0.3
272.09171	0.5
335.03619	0.4
335.17068	0.6
387.16623	3.0
450.20557	0.9
451.22812	1.5
471.30099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03433	1.0
59.01379	11.5
61.98820	2.0
68.50808	0.5
68.99797	0.7
69.03459	1.4
69.16575	1.3
69.16977	4.6
71.01381	11.1
72.99306	2.8
73.02948	3.1
74.19632	0.5
75.00875	9.6
79.95735	2.3
80.96528	0.7
81.03440	0.7
83.01376	0.6
85.02943	14.2
87.00867	4.5
89.02440	1.9
93.03448	3.2
95.01371	3.3
95.95232	2.2
96.96006	38.9
98.95615	1.1
99.00887	7.0
101.02478	0.9
113.02439	10.3
115.00365	2.1
117.01952	1.9
125.02441	1.9
127.04001	1.1
129.01950	1.4
133.01453	1.1
135.08186	0.9
137.09718	8.0
138.97069	1.1
147.04620	0.7
150.97087	1.0
155.10771	61.8
156.11122	2.0
157.01389	1.2
172.05302	0.7
173.04559	1.5
175.02507	1.8
177.04065	0.7
187.02510	0.8
187.07613	2.9
191.05595	33.4
197.82535	0.7
198.99199	1.3
199.09732	10.4
215.07011	0.6
231.10286	0.6
241.00227	2.5
249.06149	10.1
256.99814	1.0
257.08151	3.9
273.13406	7.4
275.09259	0.9
344.80597	0.6
387.16531	0.8
431.15640	2.0
449.16162	100.0
450.16650	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	449.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01377	13.0
59.52938	0.4
61.98822	4.5
61.99108	0.6
67.01901	0.9
69.03456	0.7
69.66496	0.6
70.48227	1.2
70.48598	1.1
71.01376	12.4
72.99306	3.3
73.02941	4.0
73.63224	0.4
74.34682	0.5
75.00875	9.0
81.03485	0.7
85.02946	11.3
87.00872	5.1
89.02438	2.7
93.03436	2.9
95.01347	2.9
96.96001	1.6
99.00885	7.5
99.04530	2.4
101.02435	1.7
103.00336	1.2
113.02451	11.4
115.00345	2.1
115.04015	1.1
117.01915	1.4
125.02441	10.8
129.01955	0.7
133.01428	0.6
135.08151	1.5
137.09700	6.3
139.00291	0.6
143.03442	0.7
145.01384	0.6
155.10771	65.3
156.11082	3.1
157.01404	1.2
173.04573	1.2
175.02466	2.0
177.45926	0.5
181.08746	1.3
181.13318	0.5
187.02444	5.6
187.07649	1.6
191.05605	15.5
192.06062	0.8
193.03581	1.0
199.09732	12.9
249.06181	4.7
253.01582	0.5
257.08115	1.7
267.07217	0.9
273.13409	8.5
275.09238	1.2
333.15375	1.1
387.16370	1.3
431.15643	1.8
449.16608	100.0
450.16995	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	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.06853	0.5
59.01365	3.3
61.98832	4.3
62.96408	22.3
69.36410	1.2
69.36813	3.1
71.01379	3.4
78.95903	53.9
80.97466	31.3
93.03465	0.5
96.95989	1.8
100.50787	0.6
115.00349	1.3
117.03426	0.8
119.05016	2.0
121.02947	0.9
133.01453	1.6
133.03088	0.9
135.04469	1.1
139.83315	0.6
145.02942	6.6
146.03265	0.5
149.00082	14.8
152.99571	1.4
160.37961	0.6
161.02371	0.9
163.04005	1.3
171.10306	0.6
173.04469	0.8
179.01138	1.1
188.58855	0.7
191.05634	1.0
196.07825	0.6
205.15955	7.4
206.53343	0.5
242.98247	4.6
259.85016	0.6
285.12585	2.1
355.16742	18.5
356.17166	1.0
385.17844	22.5
386.17944	1.8
389.23343	1.8
449.14920	100.0
449.25333	6.7
450.15295	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1482
Annotation	Suvorexant
Peak:m/z	Relative Intensity
55.70531	0.3
57.66192	0.4
59.01365	3.3
61.98827	20.8
62.98519	0.5
69.56226	0.5
69.56632	1.7
71.01369	5.4
72.99286	0.5
73.02934	0.4
75.00856	0.7
79.95731	3.9
80.96513	1.1
85.02959	1.0
87.00873	0.8
89.02430	0.6
93.03450	1.4
95.95231	2.9
95.99112	0.3
96.96005	76.9
97.95977	0.3
98.20653	0.5
101.02431	1.2
113.02450	0.6
115.00371	1.3
122.97529	0.8
125.02442	0.5
129.01895	0.4
133.01419	0.4
137.09695	1.3
138.97086	2.6
150.97076	1.1
164.98651	0.7
173.04564	1.6
177.04018	1.1
180.98135	1.0
187.07735	0.5
191.05576	3.5
198.99170	1.6
213.09193	0.6
225.00691	0.5
229.01543	1.6
229.60779	0.4
231.10168	0.7
241.00212	3.4
256.99664	1.3
257.08185	0.4
259.01239	0.9
275.09232	0.8
296.83481	0.3
358.94162	0.4
359.92703	0.4
363.23523	0.4
383.07596	1.3
405.25119	0.4
449.14813	100.0
450.15106	10.6
472.84149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85415	0.4
54.98692	0.5
59.01371	2.1
61.98825	100.0
69.48812	1.0
69.49221	3.1
70.85601	0.5
71.01374	0.7
78.95885	3.9
98.20670	0.7
104.99326	0.5
112.92797	0.5
115.00392	0.8
133.02945	0.7
135.04561	1.1
152.99571	5.4
161.02435	3.6
167.97562	0.5
185.46823	0.5
449.25385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
60.01700	0.6
61.98827	100.0
70.59318	0.5
71.01397	0.6
78.31802	0.5
78.95902	21.9
81.22460	0.5
83.55827	0.5
88.68575	0.5
96.96979	3.1
106.04113	0.5
152.21973	0.5
152.99576	40.4
171.00636	1.7
196.57475	0.6
389.27176	0.6
449.23068	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18687	0.4
55.94691	0.3
59.01368	0.6
61.98827	100.0
67.94196	0.4
69.61546	2.0
78.95905	1.3
86.97382	0.3
98.20599	0.4
98.44437	0.3
116.78557	0.3
120.26669	0.3
133.02930	0.7
135.04593	0.6
152.99550	1.2
161.02402	2.3
162.02760	0.7
231.40160	0.4
236.52631	0.4
282.13199	0.4
299.86954	0.3
448.24115	0.8
449.25229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98827	100.0
62.98538	0.2
69.53542	0.8
118.70347	0.2
161.04564	0.3
179.10809	0.3
191.05597	0.3
205.12300	0.2
206.12819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56134	0.2
59.01384	0.8
61.98828	100.0
70.65279	0.8
78.95895	3.1
78.96251	0.3
80.56442	0.2
83.68229	0.3
96.96935	0.4
106.89939	0.3
116.92905	0.3
120.36133	0.3
152.99582	5.7
161.02472	0.7
162.02849	0.3
204.24696	0.3
409.60025	0.3
449.22681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2748
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
59.01378	18.0
61.98840	1.4
69.03460	2.4
69.33591	1.3
71.01383	0.8
71.04996	0.2
71.67407	0.2
88.12218	0.2
96.16544	0.2
96.96015	1.2
98.20712	0.4
109.06582	0.9
115.00340	0.2
137.35297	0.2
154.69333	0.2
182.24905	0.2
269.19104	0.3
271.20673	0.5
287.20151	3.4
288.20688	0.2
289.21713	0.3
301.21655	0.3
305.33051	0.2
339.23462	0.5
341.24838	1.5
342.21829	0.3
343.22589	0.3
357.24255	1.5
359.25894	11.9
360.26071	1.5
380.52667	0.2
387.25369	29.3
388.25720	3.7
404.06085	0.2
405.26410	100.0
406.26749	10.0
447.17081	1.1
447.27460	18.3
448.27747	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
61.98827	100.0
70.34074	0.9
71.01379	1.8
75.00897	0.4
79.18689	0.3
79.95738	1.1
80.96517	0.7
85.02972	0.4
89.02470	0.3
93.03470	0.9
95.95259	1.2
96.96005	23.4
101.02452	0.6
106.46349	0.3
115.00373	0.6
122.97646	0.3
133.01517	0.4
137.09666	0.4
138.97084	0.9
140.37109	0.3
143.04816	0.3
150.97102	0.6
173.04564	0.8
177.04033	0.5
191.05675	1.3
198.99261	0.5
241.00313	1.0
271.02982	0.3
275.09378	0.5
333.22903	0.4
368.52924	0.4
448.23663	0.4
449.14816	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.7
60.01698	1.1
61.01809	0.4
61.98826	100.0
62.70504	0.2
63.31845	0.2
67.42673	0.3
71.01373	2.3
71.50948	0.3
72.01742	0.2
73.02951	0.4
74.02471	1.1
78.91900	0.2
79.99798	0.2
85.02978	0.5
86.35062	0.3
89.02448	1.3
90.02782	0.4
96.96029	0.3
101.02467	0.9
102.05612	1.4
102.98609	0.4
104.03567	0.6
113.02458	0.6
115.00371	1.1
119.03532	0.5
121.02964	0.5
122.03228	0.3
123.70125	0.3
125.02448	0.5
128.03522	1.6
133.01442	0.9
135.04529	0.5
136.04857	0.3
146.04584	4.5
179.05606	0.5
187.02510	0.3
191.05554	0.5
269.82016	0.2
283.04977	0.4
296.16360	0.6
326.17377	0.9
370.16016	0.3
404.15106	0.7
449.15561	0.3
458.17023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61813	0.2
53.51716	0.2
57.03445	0.3
58.00594	0.3
59.01378	15.0
60.01713	1.6
61.01809	0.4
61.98828	100.0
67.12295	0.2
71.01378	3.7
71.50692	0.3
72.01734	0.3
72.27266	0.2
74.02489	0.3
77.60692	0.2
82.80006	0.2
83.01405	0.3
85.02979	0.5
87.00858	0.4
89.02439	4.0
89.02956	0.4
90.02816	0.6
95.01376	0.2
99.00919	0.2
101.02451	1.8
102.02789	0.4
102.05599	0.5
102.81110	0.2
104.03600	0.2
104.79089	0.2
110.16351	0.2
113.02443	1.4
114.02769	0.3
115.00360	0.5
118.88396	0.2
119.03545	1.4
120.03831	0.4
125.02454	1.0
128.03603	1.1
133.01439	0.7
143.03500	0.5
144.30896	0.2
146.04616	1.5
151.00285	0.3
153.09209	0.5
154.09520	0.2
161.04587	0.5
178.99745	0.2
179.05630	2.3
179.07968	0.2
180.05965	0.8
191.05795	0.3
259.06140	0.5
269.04599	0.6
308.24152	0.2
333.15546	0.5
337.07016	0.2
388.20471	1.1
402.81470	0.2
411.03644	0.2
439.88626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.46067	0.4
57.03442	0.9
59.01376	100.0
60.01713	1.0
61.98829	2.6
67.64068	0.4
69.84864	2.2
71.01380	12.7
72.99324	1.1
73.02944	4.4
75.94345	0.4
82.74872	0.4
83.01395	1.8
83.46988	0.4
85.02956	4.8
87.00893	1.0
89.02444	4.2
95.01416	0.6
96.96019	1.0
97.02930	0.5
99.00914	1.4
101.02438	9.4
109.01190	2.8
113.02436	4.5
115.00407	0.7
119.03525	1.8
125.02491	0.6
131.03558	0.9
133.01465	1.7
133.02968	0.6
143.03513	0.6
153.07445	7.6
155.14435	0.7
161.04553	3.8
163.07697	0.6
179.05646	0.8
197.06396	13.5
198.06784	0.8
199.13445	1.2
211.13361	2.2
225.14990	0.5
249.05939	0.5
267.96863	0.4
327.18185	4.1
331.24875	3.4
345.19113	8.8
346.19666	1.1
387.20206	4.6
405.21359	1.5
428.58344	0.4
447.13220	0.8
447.22107	5.2
447.27557	4.6
463.11829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90302	0.3
58.48779	0.3
59.01374	0.5
60.06045	0.2
61.98810	0.3
69.36043	0.4
70.26053	1.0
78.95898	5.8
79.26629	0.2
84.91995	0.3
98.20256	0.5
110.98528	4.3
152.99570	0.3
167.01154	3.0
185.02180	3.6
225.00781	0.5
279.23260	100.0
280.23572	8.2
303.47116	0.3
397.54926	0.3
447.25122	10.8
448.25534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76471	0.2
54.66307	0.2
57.03425	0.3
59.01379	4.0
61.98831	2.2
64.10149	0.2
69.03447	0.2
70.78879	0.2
71.01379	11.3
71.05037	0.3
71.52194	0.3
72.01727	0.3
72.99302	0.3
73.02950	0.8
76.67502	0.2
79.95696	0.3
80.84796	0.3
85.02950	0.3
85.06599	0.4
87.00879	0.3
87.04518	0.4
96.95998	2.7
97.06568	0.7
98.95589	1.1
101.02453	0.4
115.00369	9.2
115.07645	0.4
119.03557	0.2
121.02978	2.8
133.01471	1.1
133.02963	2.0
134.03720	0.9
135.04530	0.7
137.09801	0.3
153.37027	0.2
171.10103	0.2
171.13898	0.7
174.17667	0.2
177.01939	0.5
178.02693	0.6
179.03532	0.3
185.11766	0.4
199.13402	1.3
211.13458	0.6
213.14943	0.4
225.15016	0.3
231.10075	0.3
241.14333	0.3
243.15997	2.2
244.54460	0.2
257.21280	0.3
285.20871	0.4
293.10339	0.7
295.22751	0.4
311.22183	0.3
313.23871	3.3
315.21725	1.0
327.21472	0.2
329.23288	2.5
330.23715	0.3
331.24878	100.0
332.25204	8.8
337.52811	0.2
405.24857	0.2
416.87958	0.3
447.15918	1.1
447.25513	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18400	0.3
52.06481	0.4
57.03454	0.6
58.00587	0.5
59.01378	10.8
61.98827	2.8
69.22878	3.5
71.01379	13.0
72.99302	0.5
73.02945	1.3
76.49238	0.3
79.34440	0.4
79.95737	3.3
85.02943	1.4
87.00895	0.6
89.02459	0.9
91.01890	3.5
96.96006	97.0
98.20635	0.6
98.95586	1.3
101.02435	1.5
103.91352	0.4
108.02173	5.6
109.02927	2.9
113.02473	0.7
115.00377	9.0
123.00888	1.6
127.11272	2.5
133.01401	2.4
133.02954	3.1
134.03758	1.1
135.00880	3.5
135.04535	1.0
137.02429	0.7
146.88962	0.4
152.01147	5.0
153.01895	1.8
155.10771	0.7
157.12325	1.4
161.04497	0.5
171.10254	1.0
177.01881	0.5
178.02689	0.6
179.03462	0.4
243.06595	24.4
244.07039	1.8
293.10434	1.2
295.22720	0.8
297.06458	0.6
301.23856	1.0
311.22321	0.8
313.23889	4.1
320.07050	0.4
329.23331	2.4
330.23862	0.5
331.24866	100.0
332.25153	8.7
360.20499	0.4
432.90732	0.4
447.16922	50.5
447.25555	3.9
448.17252	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29655	0.6
52.98655	0.7
55.01866	1.0
57.03446	3.4
59.01375	100.0
60.01698	1.5
61.98820	4.0
65.23726	0.7
66.70972	0.7
69.73714	2.0
69.74102	1.6
71.01379	21.9
72.01689	0.7
72.99308	2.7
73.02942	4.4
74.33839	0.6
75.00862	4.4
75.22377	0.6
83.01377	1.7
83.05039	1.4
85.02943	10.8
87.00883	2.1
87.04498	0.9
89.02444	5.3
95.01406	2.7
96.96001	12.9
99.00879	4.6
101.02436	12.5
103.00382	0.9
113.02443	10.2
115.00346	4.0
117.01934	1.0
119.03523	2.1
121.85405	0.8
131.03500	1.4
133.01442	2.0
133.02968	1.5
135.04526	1.3
135.08147	0.8
137.09724	2.6
143.03525	0.9
145.01465	2.6
151.00328	0.8
152.01080	1.2
153.09177	8.1
155.10762	12.1
159.02992	1.2
161.04538	13.1
175.02441	0.9
179.03424	1.0
179.05685	0.9
181.08679	1.5
191.05635	1.7
192.11395	1.0
198.99294	1.1
199.09735	11.4
207.13945	3.1
225.15047	1.3
241.10849	2.1
249.06088	6.2
249.08330	0.8
267.07193	3.4
271.11957	1.2
284.03271	9.4
285.04019	15.5
285.07150	0.9
286.04370	0.9
302.34164	0.8
309.17206	0.9
331.14001	4.4
331.17731	1.5
331.21307	1.4
345.15598	0.9
345.88916	0.7
353.81223	0.7
387.20224	13.1
388.20612	1.3
403.16214	6.0
447.09247	7.0
447.14764	26.0
447.22394	1.7
448.14871	1.3
448.22827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01376	100.0
60.01699	1.5
61.98821	3.5
63.08577	0.7
69.68699	1.4
69.69105	2.4
71.01376	13.9
72.99319	1.1
73.02958	0.7
78.79723	0.6
82.72845	0.8
83.01405	0.7
83.05015	0.7
84.42961	0.7
85.02944	3.0
86.51676	0.6
87.00878	1.1
89.02442	15.5
96.96026	1.7
98.19954	0.9
98.95596	0.7
99.00811	0.8
101.02426	6.4
113.02456	6.7
115.00385	2.6
115.92097	0.8
116.80696	0.7
116.92860	7.6
119.03520	6.6
131.03494	1.2
133.01422	2.7
135.04500	1.3
143.03481	1.4
145.01442	3.6
145.33028	0.7
150.02676	0.7
152.01077	1.1
155.10750	2.6
161.04541	1.9
179.03397	1.0
179.05600	6.1
179.17735	0.7
183.10226	1.9
184.92090	0.6
191.05484	1.6
193.65794	0.7
196.78821	0.7
199.09729	1.4
227.01324	1.2
227.03482	14.8
228.03777	0.7
243.12231	4.7
255.02959	21.4
256.03506	2.0
284.03244	20.5
285.03900	5.4
331.13876	1.3
387.20178	2.9
447.09192	27.9
447.23099	3.7
448.09628	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	0.8
60.30616	0.4
69.13267	0.4
69.46738	0.9
69.47154	1.3
71.01377	8.2
72.99334	0.4
75.95350	0.3
85.02940	0.9
87.00879	0.7
89.02438	13.9
95.01415	0.4
101.02431	4.4
102.41572	0.3
113.02448	4.0
119.03490	5.8
131.03494	0.6
131.54323	0.3
143.03526	1.2
161.04544	2.4
177.09251	0.7
179.05597	10.9
186.53584	0.3
188.82979	0.4
189.64240	0.4
193.48735	0.3
221.11938	0.5
240.56206	0.4
401.18195	0.5
426.61777	0.5
447.22501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.9
61.41209	0.6
61.98816	0.7
66.82569	0.5
69.89011	2.6
71.01378	6.7
72.99292	0.8
77.81647	0.6
85.02945	0.9
87.00865	0.8
87.20443	0.5
89.02443	11.4
91.34023	0.6
91.85683	0.7
95.01415	0.8
101.02436	3.4
112.69878	0.5
113.02438	3.5
115.00385	0.6
115.74540	0.5
119.03495	5.3
133.01430	0.7
143.03510	1.1
149.04593	0.7
161.04581	2.0
174.73418	0.6
179.05603	5.8
225.07822	0.6
232.69319	0.5
243.45757	0.6
246.86028	0.5
385.56369	0.6
387.20221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36735	0.4
59.01375	100.0
59.96953	0.4
60.01729	0.6
61.98828	7.1
64.02763	0.4
69.80058	1.7
71.01379	6.2
71.01738	0.7
72.99313	0.4
73.02936	0.8
83.01405	0.4
83.16270	0.4
85.02967	1.2
87.00878	0.4
89.02436	7.7
94.39200	0.4
101.02439	4.1
102.75458	0.4
112.88844	0.4
113.02441	3.2
119.03500	3.2
131.03529	0.6
143.03510	0.9
161.04552	3.0
179.05553	2.7
188.06744	0.4
189.12906	2.1
207.13924	0.9
224.52754	0.5
335.62076	0.5
387.20126	5.4
388.20490	0.8
447.22446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01377	46.7
59.97585	1.0
61.98821	4.3
64.36772	1.1
69.03424	2.1
69.32448	8.4
70.94444	1.0
71.01373	26.2
72.99295	3.7
73.02939	9.8
75.00886	1.1
83.01383	3.0
85.02945	10.9
87.00889	5.1
89.02435	4.4
96.96009	1.7
99.00885	2.1
101.02425	9.6
111.00848	1.1
113.02433	6.0
119.03474	2.4
125.02431	1.1
127.29018	1.0
133.01395	1.6
136.99187	1.0
153.07433	2.4
153.12889	2.5
165.86343	1.0
166.70070	1.1
181.05107	1.5
181.12381	3.3
191.05583	8.3
199.13385	20.1
203.03551	1.3
211.13388	2.3
214.16225	1.1
215.12906	1.3
229.08710	2.1
233.08150	1.1
240.04230	1.0
243.15970	1.9
249.06053	2.3
255.06610	7.2
286.53671	1.2
343.17593	18.8
344.18008	1.3
361.18637	47.0
362.18900	4.3
403.19684	100.0
404.19992	11.1
405.21262	1.8
447.13651	6.7
447.18289	2.6
447.22565	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	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01859	1.7
57.02424	0.4
57.03434	1.5
58.00595	0.6
59.01375	46.3
61.98814	1.8
67.36869	0.4
71.01376	27.8
72.99270	0.8
73.02940	13.6
73.98062	0.5
75.00875	0.5
79.95729	1.3
83.01385	4.6
85.02940	7.3
85.06589	3.0
87.00866	2.6
89.02440	7.4
91.04707	0.4
95.01361	1.6
96.96004	40.2
97.02953	0.4
97.06580	0.7
98.19891	1.1
99.00865	3.0
101.02436	17.9
113.02444	9.0
113.09666	0.7
115.00375	3.7
119.03497	2.7
125.02386	0.8
126.94885	0.4
131.03456	0.6
133.01373	1.3
133.02922	1.8
134.03690	0.6
135.04491	0.6
143.03439	0.6
149.04510	0.6
151.01427	0.4
153.12827	0.8
155.14401	9.8
156.14772	0.6
159.02921	0.5
161.04514	2.9
177.01859	0.4
178.02704	0.5
181.12283	1.2
181.16000	3.7
183.13884	0.5
189.05460	0.5
199.13370	20.0
200.13707	0.7
211.13351	0.5
225.14960	5.3
288.81451	0.4
293.10385	1.1
313.23849	0.6
329.23297	1.3
331.24854	31.8
332.25241	2.4
369.18930	0.5
387.20203	11.2
388.20490	0.7
405.21231	20.9
406.21420	1.3
429.20859	0.8
447.16702	21.6
447.22253	100.0
448.17087	1.7
448.22681	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03438	4.2
57.08832	0.9
58.00606	1.0
59.01376	100.0
61.56436	0.9
61.98825	40.6
69.03429	1.4
71.01379	43.4
71.50861	1.0
72.99301	8.8
73.02934	6.5
75.00870	20.3
77.87441	1.1
83.01383	3.0
85.02949	30.1
85.03468	1.5
87.00876	9.9
89.02442	18.1
95.01388	6.5
99.00877	12.9
101.02444	9.4
102.98595	1.0
103.00377	3.0
104.03559	1.3
109.02863	1.0
111.00849	1.0
113.02444	36.7
115.00355	5.8
117.01910	2.7
119.03494	7.7
121.20731	0.9
129.01903	2.7
129.62401	0.9
131.03522	2.0
133.01418	4.7
135.04462	1.7
143.03531	2.1
145.01419	2.3
152.03506	2.3
153.03827	1.7
153.09198	42.3
154.09532	1.1
155.10760	2.9
157.01370	1.4
161.04523	8.4
175.02438	4.3
175.03912	1.2
179.03468	1.0
179.05614	5.0
191.05669	2.2
193.03470	2.0
197.08167	1.5
199.09740	5.0
225.14909	2.4
231.04977	2.1
239.74179	1.1
249.06161	13.3
261.17032	1.0
267.07166	20.1
331.08142	1.1
331.14120	1.1
331.17722	1.9
343.17636	6.9
369.19080	2.9
385.15063	3.4
387.20355	7.1
403.16040	40.3
404.16309	4.1
447.14993	92.3
448.15463	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	447.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
57.03426	0.3
59.01373	7.5
61.98813	0.5
63.94752	0.1
70.25616	0.3
71.01369	2.7
72.99288	0.2
73.02937	0.6
79.95733	3.1
80.96512	0.2
82.45775	0.2
83.01376	0.3
85.02940	0.5
87.00861	0.2
89.02451	0.4
94.78596	0.2
95.53966	0.2
95.95260	0.3
96.96004	100.0
97.06592	0.1
97.95944	0.4
98.20627	0.2
99.00858	0.3
101.02451	0.6
102.11958	0.1
113.02410	0.8
115.00347	1.3
133.01408	0.4
133.02962	0.7
134.03711	0.5
135.04460	0.3
155.14436	0.7
158.11501	0.1
178.02699	0.3
179.03612	0.2
185.11646	0.2
199.13365	0.8
225.14871	0.3
243.06332	0.2
293.10403	0.3
301.23871	0.8
313.23740	0.2
315.12674	0.2
323.58853	0.2
329.23422	0.4
330.23679	0.4
331.24838	6.6
332.25150	0.3
345.19022	0.2
357.36813	0.2
387.20135	1.8
405.21262	1.2
422.94464	0.2
447.16882	56.7
448.17175	5.1
448.22357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1294
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.63742	0.3
53.71888	0.2
54.94312	0.3
59.01372	4.0
61.98831	1.6
65.00311	0.6
69.15657	2.8
71.01375	3.2
72.99280	0.4
78.95895	0.3
80.02656	0.6
85.02985	0.5
85.05929	0.2
87.00878	0.4
87.71407	0.3
91.01888	14.0
93.03481	0.3
95.01374	0.7
96.96004	0.4
98.19939	0.7
98.96512	0.2
106.52385	0.3
107.01260	0.4
107.05050	0.5
107.06084	0.3
107.22572	0.3
108.02164	17.0
109.02982	3.6
113.02393	0.3
115.00355	1.1
121.02942	0.7
123.00876	5.4
124.01636	0.6
133.01411	1.4
133.02933	0.8
135.00876	15.0
135.04550	0.3
136.01183	0.4
137.02431	4.5
149.02400	0.4
152.01138	16.6
153.01630	0.3
169.06401	0.3
171.10234	0.3
175.03967	0.5
177.01900	0.8
189.05536	0.5
197.06145	1.7
199.07661	0.6
211.13344	0.5
213.05577	1.3
215.07101	0.9
234.05179	0.4
243.06587	100.0
244.06917	6.0
273.15259	0.6
331.24600	1.7
387.10852	1.3
405.10919	0.3
409.48358	0.3
447.12747	5.0
447.25754	1.8
447.31247	0.3
448.25858	0.4
462.30154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29179	0.2
53.94925	0.2
59.01372	0.9
61.98826	3.0
62.96406	1.1
70.99667	0.4
71.00011	0.4
71.01373	0.3
71.02876	0.2
72.96808	0.2
78.95898	40.2
96.96954	2.7
105.01928	0.7
118.79857	0.3
149.00081	20.0
150.00352	0.3
151.00441	0.3
152.99586	1.4
156.06342	0.2
158.92543	1.3
179.01158	2.1
205.15926	1.7
229.88098	0.2
240.96777	0.3
255.03098	0.3
267.11490	0.4
271.02469	0.3
288.38379	0.2
300.02676	0.7
301.03348	0.4
333.06879	0.3
347.08215	0.5
417.12341	0.8
431.10220	2.8
432.11032	0.3
447.13388	100.0
448.07425	0.5
448.13718	8.9
464.10281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
70.66995	1.6
71.01373	5.9
73.02946	2.9
73.63168	0.4
74.93387	0.4
85.02943	3.2
85.94205	0.5
87.53350	0.5
89.02438	1.1
95.01385	1.6
99.00861	2.4
101.02434	2.1
105.89367	0.5
108.02163	48.2
109.01814	0.5
109.02969	12.3
113.02450	2.7
123.00822	0.8
135.04555	0.8
151.04028	1.5
152.01143	88.2
153.01675	2.8
161.04552	1.8
163.03999	2.9
204.84972	0.7
207.02849	0.9
264.47382	0.5
271.08298	0.9
315.07162	1.3
336.23215	0.5
447.11380	100.0
448.11694	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	446.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.98825	100.0
69.23346	6.0
69.40743	0.6
71.01344	0.7
83.39278	0.6
85.63279	0.6
120.41402	0.6
133.02948	1.3
135.04520	3.5
149.35461	0.7
152.99527	1.1
161.02441	11.2
285.20615	1.0
293.26038	0.6
446.29303	0.9
447.23978	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.01053	0.4
55.01871	0.4
59.01375	25.6
60.01680	0.4
61.98824	10.2
69.94028	0.4
69.94330	1.7
73.02952	0.8
75.50783	0.4
81.89933	0.3
85.02943	0.7
87.00912	0.4
89.02448	2.2
93.03458	0.5
96.96009	0.5
101.02444	2.0
107.01397	0.6
113.02445	0.9
119.03432	0.7
122.71659	0.4
133.01381	0.7
133.02982	0.6
133.49904	0.3
137.02472	0.4
145.01411	1.1
151.00362	2.1
153.09114	0.6
161.04544	0.7
163.00285	0.8
174.03191	0.7
178.99895	0.7
179.05600	0.8
179.10748	0.9
183.04486	0.8
185.06197	0.5
191.05681	0.5
195.28873	0.4
195.58472	0.4
200.28191	0.4
206.12654	0.5
211.04025	1.3
227.03470	57.0
228.03766	3.1
229.05066	1.7
243.12392	0.8
253.04472	0.5
255.02960	72.5
256.03558	8.7
257.04263	1.1
258.84039	0.4
284.03235	66.5
285.03915	21.7
286.04373	1.3
327.04898	0.6
387.20135	1.2
403.15622	0.4
447.09244	100.0
448.09573	10.7
472.46484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77980	0.7
59.01377	10.4
60.01723	0.8
60.20221	0.8
61.98828	100.0
71.01381	1.0
71.51909	1.2
78.95904	15.6
82.97545	0.7
84.93665	0.7
90.00147	0.7
96.96965	1.6
127.64080	0.8
149.00101	0.8
152.99574	23.6
171.00719	1.0
194.19511	0.7
211.13461	0.7
312.22620	0.8
446.29715	1.2
447.13562	2.5
447.21500	4.7
467.14249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43349	0.5
59.01377	14.8
60.01712	0.9
61.98827	100.0
62.96413	0.8
71.01397	0.9
71.51636	0.5
78.95902	29.9
96.96984	2.0
97.13696	0.6
115.00352	0.6
122.44427	0.5
135.14200	0.5
149.00089	14.0
152.99577	5.5
158.92558	1.2
178.17697	0.5
179.01176	1.9
205.16064	0.7
212.72942	0.5
311.22232	1.0
312.22647	1.4
313.23761	1.3
431.10294	2.2
446.20410	0.6
447.13397	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29007	0.6
57.21665	0.7
59.01379	6.4
60.35737	0.7
61.01805	0.7
61.98827	100.0
63.92123	0.6
71.01395	1.3
71.51866	1.0
78.95903	3.8
81.51078	0.6
82.42941	0.7
94.88267	0.7
96.96030	1.2
114.33314	0.7
115.00365	0.8
130.33542	0.6
142.13477	0.6
152.99571	8.2
201.34688	0.7
211.13295	0.8
221.67288	0.7
238.09676	0.7
330.27332	1.2
339.35205	0.6
343.54886	0.8
447.21573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47320	0.9
58.02975	1.1
58.04081	2.4
59.01378	10.9
59.20710	0.9
60.89431	0.9
61.98835	6.1
62.91762	0.8
63.42679	0.9
64.54200	1.0
69.70184	5.5
71.01369	5.0
73.04930	0.9
77.13387	1.0
78.59904	1.0
81.04577	3.3
82.02961	1.2
83.02506	7.7
85.02929	2.4
87.00831	1.1
88.37684	0.8
89.02429	5.2
92.05054	18.3
95.02504	1.5
96.96003	3.3
100.04063	1.8
102.05611	4.9
106.04099	1.3
109.02914	1.3
109.04052	8.5
113.02437	1.4
114.01999	1.1
115.00374	1.8
119.03450	1.1
119.05097	1.0
119.97318	0.9
120.01245	1.5
120.04529	3.6
121.21853	1.0
124.05131	2.0
126.06727	33.5
128.03537	24.7
133.01401	2.8
135.05624	4.9
136.04004	3.5
138.06738	1.8
146.04601	5.8
147.05626	9.6
148.04034	18.0
162.09204	1.4
163.06400	1.8
163.07574	6.6
170.05687	0.9
173.07127	1.6
177.10355	6.7
179.05563	1.2
189.10289	9.9
215.08217	3.1
221.09264	5.1
222.16284	1.2
225.07652	2.1
231.12422	1.9
233.09294	13.9
257.04599	1.1
275.11459	36.0
276.11816	2.0
285.03958	1.9
300.10938	4.0
317.13678	12.9
355.79755	1.1
360.16693	15.6
385.16479	1.3
386.14624	4.4
387.13025	1.3
404.15707	88.1
405.16071	9.1
428.16849	2.1
429.15198	9.4
430.15536	1.5
446.17874	100.0
447.18436	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	446.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.4
60.01704	1.0
61.98826	100.0
71.21146	0.5
115.02515	1.3
116.02649	0.9
117.00431	0.8
117.02282	1.1
118.00578	0.7
119.00185	0.5
120.73757	0.5
159.01489	12.1
159.03384	0.5
160.01634	7.0
161.01208	9.2
161.98936	22.3
162.99091	0.7
185.60478	0.4
201.02548	3.0
202.02705	2.3
203.02277	2.3
203.99998	6.0
301.02673	1.5
302.02762	9.2
303.02423	13.6
303.99957	55.4
304.02792	8.1
304.99908	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14851	0.3
59.01375	100.0
60.01731	0.8
61.98833	0.8
70.81620	0.9
70.81960	0.5
71.01373	0.7
71.06579	0.3
75.83381	0.3
86.26815	0.4
89.02444	0.5
91.03994	5.0
129.09254	0.5
158.32246	0.3
181.12445	0.4
183.13739	0.4
197.11938	1.0
201.72137	0.4
211.13417	2.1
249.18527	0.6
284.20706	0.4
293.21164	0.9
311.22266	19.2
312.22656	1.0
388.81119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89725	0.6
56.67295	0.6
56.73504	0.6
59.01377	100.0
59.14929	0.6
60.01716	1.6
61.98828	13.6
69.20718	0.5
71.01368	4.4
71.51682	0.8
72.97643	0.6
74.63288	0.6
78.95905	1.1
89.02466	1.4
90.19933	0.8
91.03992	3.6
115.00396	2.0
121.02985	0.8
149.06282	0.6
152.99631	1.5
209.11929	1.1
211.13503	1.9
252.98956	0.7
293.21320	1.4
311.22281	18.7
311.25800	1.3
312.22763	1.9
329.26947	21.1
330.27444	1.7
445.29822	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.70406	0.5
61.43142	0.4
61.98822	1.1
66.28354	0.4
69.18376	0.5
70.25614	1.4
70.25990	0.6
71.19356	0.4
78.95914	0.5
80.79690	0.5
83.29383	0.4
91.04011	2.9
91.26775	0.5
112.63517	0.4
144.90427	0.5
157.38953	0.5
197.11835	0.7
211.13449	1.4
293.21243	1.7
311.22241	13.9
311.25806	0.7
312.22623	0.6
387.78442	0.5
388.56171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2954
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
56.71914	0.4
57.03448	1.2
59.01367	1.9
61.98830	1.0
62.64201	0.4
64.92171	0.4
71.05013	2.3
83.05028	1.3
84.59647	0.5
85.06591	2.9
113.06100	1.1
113.80160	0.5
116.52833	0.5
125.09657	0.5
131.06248	0.9
131.07147	10.6
143.10760	2.0
229.39951	0.5
245.15567	0.5
301.21719	10.4
302.22147	1.0
325.28198	0.5
331.22708	4.3
399.28870	0.6
401.30450	0.7
445.29559	100.0
446.29901	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	445.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
58.00597	0.8
59.01078	0.3
59.01376	4.7
61.98824	0.8
63.11533	0.2
69.36344	1.1
69.36770	1.0
71.01379	15.2
72.99310	0.3
73.02946	0.6
85.02965	0.5
96.96008	1.2
97.06628	0.3
104.06690	0.3
115.00368	9.1
125.09710	3.4
127.11272	4.4
133.01421	1.5
133.02937	0.9
134.03680	0.9
135.04539	0.5
137.09721	1.1
139.11288	0.7
153.09254	0.4
155.10764	1.8
157.12332	0.7
165.09149	2.0
171.10263	5.0
172.10602	0.3
183.10297	0.9
192.78909	0.3
199.09738	1.1
201.11313	36.0
202.11607	1.5
209.11853	0.5
211.13414	0.5
246.50116	0.3
263.20197	0.6
275.20163	0.6
283.11108	0.3
293.10370	0.4
293.21262	2.5
311.22253	3.8
320.62930	0.4
327.21698	1.2
329.23303	100.0
330.23642	8.8
427.96954	0.3
445.18777	0.7
445.24506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41326	0.3
57.03438	0.4
58.00615	0.6
59.01376	5.1
61.98820	1.3
70.79510	1.0
71.01378	15.5
72.99291	0.9
73.02934	0.7
77.17210	0.4
79.89318	0.3
80.27307	0.3
80.36329	0.3
96.95992	2.3
99.08147	0.6
101.02414	0.8
115.00369	10.2
116.00756	0.4
121.02942	0.9
123.08132	0.4
125.09736	3.2
127.11275	5.2
133.01430	0.8
135.04498	0.4
137.09694	0.6
139.11266	4.3
152.99574	0.4
153.09161	0.5
154.58812	0.4
155.10770	3.0
157.12247	0.6
165.09117	1.2
171.10245	25.6
172.10567	0.9
179.10738	0.5
183.10246	0.5
185.11783	0.7
198.20529	0.4
199.09807	1.1
199.13388	0.9
201.11307	22.6
202.11656	0.8
209.11784	2.8
213.11330	0.5
275.20108	1.1
293.21292	1.7
311.22174	1.9
313.07321	0.5
327.21783	1.0
329.23288	100.0
330.23633	8.4
330.27237	0.7
372.12964	0.4
403.24536	1.0
427.23273	0.8
445.15439	2.0
445.24606	4.2
445.30713	0.6
446.23901	0.4
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
52.97918	0.3
54.18036	0.3
57.03440	0.7
59.01359	1.0
61.98818	0.7
63.57468	0.3
71.01382	13.3
71.43205	0.4
79.95738	0.9
80.96521	0.6
83.05017	0.6
94.51667	0.3
96.95993	2.3
97.06553	0.4
99.08163	2.8
102.98581	0.5
110.59564	0.3
115.00372	9.5
116.75545	0.3
125.09699	1.0
127.11272	1.3
129.09227	0.5
133.01401	1.3
133.02937	0.8
133.71112	0.3
139.11227	0.3
155.10696	0.4
155.14444	0.5
160.98505	0.3
165.12843	0.5
167.14383	1.0
171.10265	2.3
173.67647	0.3
183.13872	3.8
187.18004	0.3
189.16322	0.3
193.12282	1.1
204.66638	0.3
209.11824	1.2
211.13376	25.4
212.13689	1.0
215.66365	0.4
216.60037	0.3
229.14427	14.8
230.14761	0.6
293.10355	0.8
293.21396	0.6
311.22180	0.8
329.23297	100.0
330.19986	0.6
330.23599	7.6
361.32639	0.3
445.15369	3.0
445.24435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.3
71.01389	0.5
71.50132	0.4
74.99476	0.3
76.58329	0.3
78.95898	8.5
86.51342	0.3
110.98521	6.7
130.38841	0.3
151.91774	0.3
152.99532	0.5
153.77478	0.4
167.01141	4.5
172.77715	0.4
176.48747	0.4
184.89464	0.3
185.02220	4.5
200.93843	0.3
233.22786	0.5
259.20648	0.5
277.21695	100.0
278.22064	7.6
445.23590	11.3
446.23993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
64.59501	0.4
70.69366	1.1
78.95897	17.6
104.97455	0.7
110.97744	0.6
110.98521	12.7
136.99989	0.6
152.99585	0.9
166.99718	0.8
167.01135	14.4
173.07047	0.4
185.02180	3.2
225.01534	0.4
240.39146	0.5
259.20563	0.6
267.91721	0.4
277.21695	100.0
278.22046	8.7
319.15479	0.4
402.16837	0.5
408.64423	0.4
445.23566	27.4
446.23846	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Dendroside G
Peak:m/z	Relative Intensity
57.03464	0.4
59.01376	100.0
60.01703	0.9
61.98829	0.7
70.33411	0.4
70.33752	1.0
71.01376	9.0
72.99288	0.9
73.02950	1.5
75.00867	0.4
83.01392	0.7
83.05029	0.7
84.00034	0.3
85.02951	3.3
87.00874	2.2
89.02440	11.9
95.01391	0.8
99.00886	0.5
101.02442	7.5
111.00854	0.5
113.02446	5.9
115.00331	0.4
116.92870	0.8
117.03435	0.4
119.03493	6.2
129.01932	0.4
131.03510	0.7
133.01413	0.5
135.04543	0.8
143.03467	1.8
149.02431	0.5
149.04594	0.6
159.03081	0.4
161.04553	3.2
163.11299	0.6
165.12894	0.6
172.64786	0.3
179.03461	0.8
179.05603	4.6
187.11256	3.2
190.10117	0.4
204.11525	0.9
205.12338	3.5
209.11813	19.5
210.12209	1.2
223.13426	0.5
233.11806	1.3
253.09282	2.5
259.13623	0.7
262.49088	0.4
269.04517	6.3
269.07245	0.5
277.14432	2.1
385.18652	3.2
445.21078	0.9
461.65891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70376	0.5
55.01876	0.6
57.03444	4.3
59.01376	100.0
60.01694	0.9
61.98826	4.0
69.38786	2.2
69.39198	1.3
71.01381	9.6
73.02947	2.2
83.01379	0.6
83.05016	0.6
85.02956	2.9
87.00873	0.9
89.02460	2.0
91.50723	0.5
95.05067	0.8
96.95989	2.4
97.02975	0.5
97.06588	0.9
97.79112	0.5
99.00893	1.4
101.02433	3.9
105.01958	0.6
107.04990	0.6
109.06583	1.7
111.00873	0.6
113.02457	2.8
115.00401	3.1
119.03486	0.7
123.04568	2.4
123.08202	0.9
128.39148	0.5
129.01917	0.5
133.01436	2.3
135.04518	1.4
137.09698	0.5
143.03583	0.9
143.07207	0.5
147.08157	2.2
149.09729	0.9
151.11305	1.8
152.07161	1.2
153.09166	0.8
155.10764	0.9
159.02971	1.1
161.04546	10.4
161.09784	1.2
163.11308	0.6
164.08395	0.6
171.45999	0.5
175.11307	0.5
177.12930	0.6
179.03549	1.0
179.10762	35.9
180.11188	1.4
181.12433	1.0
187.11295	2.6
203.10870	1.1
205.12318	33.1
206.12692	1.8
217.11833	0.6
223.13368	8.1
224.13670	0.5
281.09396	1.4
293.09283	0.6
329.12543	0.9
329.19678	0.8
341.15961	4.7
367.17517	3.0
368.17813	0.5
401.03922	0.6
445.20984	3.4
446.17563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01686	1.2
63.17398	0.8
69.53546	1.7
69.53970	3.3
71.01373	17.6
73.08608	0.7
74.84779	0.7
83.05027	2.4
85.02937	1.9
87.00861	0.8
87.05589	1.0
89.02436	28.6
90.02814	0.8
101.02441	6.8
103.67960	0.7
113.02431	7.3
119.03489	12.9
129.33556	0.9
143.03503	3.9
143.04494	1.0
161.04485	4.8
179.05598	18.6
209.83485	0.7
239.66220	0.8
256.37009	0.8
278.11176	1.0
310.29410	0.8
319.97983	0.9
323.68396	0.8
442.84668	0.9
461.78220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.7
57.39629	0.9
59.01375	64.7
69.55350	2.0
69.55757	4.0
71.01372	7.2
73.02938	2.0
73.93660	0.9
83.01419	0.8
85.02943	2.1
89.02423	1.8
95.05018	2.0
97.02954	1.7
97.06583	2.8
99.00858	2.2
101.02434	4.7
107.05035	1.0
109.06575	2.5
113.02437	2.9
119.03422	0.9
121.06568	1.5
123.04494	6.7
123.08155	2.2
134.30829	1.0
135.08150	1.2
147.08130	6.2
149.09715	3.5
151.11232	3.6
153.09221	1.2
160.70882	0.8
161.03267	1.7
161.04552	27.1
161.05896	1.6
161.09680	3.5
162.04895	1.4
163.07640	0.9
163.11304	1.9
164.08372	3.2
175.11240	1.3
177.12747	2.6
179.10756	93.1
180.11058	4.7
187.11261	7.3
188.11560	1.0
189.09123	2.9
190.09901	0.9
191.67732	0.9
203.10754	2.3
205.12314	100.0
206.12614	4.1
223.13358	12.1
247.45326	0.9
341.15970	7.2
367.17603	3.3
399.92566	0.9
437.30725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86492	0.3
50.90808	0.3
52.96209	0.4
57.03452	0.4
59.01376	6.0
61.98825	1.5
64.96991	0.4
65.14043	0.3
71.01379	8.2
71.51659	0.3
72.99300	0.7
73.02943	0.9
79.95731	5.0
85.02956	0.5
87.00857	0.9
89.02441	0.7
95.95224	1.5
96.96003	100.0
97.06557	0.6
101.02438	0.7
102.98615	0.4
111.08196	0.5
113.02439	0.8
115.00356	5.5
121.02955	1.0
133.01443	1.9
133.02954	7.4
133.14725	0.3
134.03732	3.2
135.04549	2.7
158.12679	0.3
161.04555	0.4
164.90071	0.3
169.12299	1.0
171.10228	0.7
178.02689	1.0
179.03513	0.7
195.13904	0.5
209.11829	1.1
219.13887	0.6
221.01042	0.3
231.10237	0.4
237.15024	0.6
253.12639	0.9
256.99756	0.7
271.13705	2.1
275.09439	1.7
293.10233	3.4
299.22397	0.4
311.22250	0.7
329.08029	0.6
329.23291	19.3
330.23718	1.4
359.15240	0.7
401.16135	0.6
403.24658	0.5
445.15295	53.6
445.24048	3.0
446.15732	5.9
455.61426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24719	0.4
55.76599	0.5
56.63992	0.5
57.01605	0.5
57.03445	6.3
58.00580	0.7
59.01375	100.0
60.01714	1.2
61.48763	0.5
61.98830	2.5
62.50138	0.5
67.62115	0.6
69.93064	2.4
71.01376	15.0
72.99301	1.3
73.02950	2.3
83.01378	1.2
85.02941	3.7
87.00887	0.8
89.02440	14.5
94.52393	0.6
95.01392	1.1
95.05021	1.2
96.96028	0.8
97.06614	0.9
98.20651	0.8
99.00900	0.9
101.02429	10.0
101.03026	0.8
108.42442	0.5
109.06611	2.2
113.02443	7.0
115.00390	1.9
119.03503	7.2
123.04538	3.4
123.08177	0.6
130.32481	0.6
131.03493	0.9
133.01462	2.2
135.04556	1.6
135.08189	1.0
138.07083	0.6
143.03511	2.0
147.08151	2.3
149.09758	1.9
151.11264	2.8
153.09235	1.5
159.03021	0.7
161.04524	12.8
161.09756	1.8
163.11339	1.2
163.54031	0.5
164.08441	0.8
177.12865	1.2
179.03502	1.5
179.05637	3.9
179.10754	49.7
180.11096	3.0
187.11252	3.0
189.09258	0.9
195.13873	0.8
203.10786	1.1
205.12312	39.0
206.12762	2.3
209.11807	6.2
223.13374	9.5
223.15366	0.8
253.05196	0.7
269.74445	0.5
285.07602	0.7
329.11407	0.9
341.15988	3.3
385.18497	3.6
393.38956	0.7
445.21075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52713	0.9
59.01377	100.0
61.98838	5.7
64.09138	1.0
69.75194	5.3
71.01366	1.3
116.92956	1.0
122.81353	1.2
157.59889	1.2
209.11867	1.1
251.26654	1.1
254.35646	1.1
285.05713	1.4
291.19623	3.1
309.20667	5.2
310.21146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38627	0.4
52.10546	0.4
57.29106	0.5
59.01380	100.0
60.01719	0.8
61.98826	0.7
70.74131	1.3
71.01390	0.8
91.04025	1.9
111.08167	1.0
118.50275	0.5
136.70033	0.5
197.11876	3.7
207.10144	0.5
211.13498	0.5
212.70125	0.5
215.81834	0.5
248.08270	0.5
286.95645	0.5
291.19717	3.4
309.20691	9.9
310.21112	0.6
451.61124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01704	1.0
60.86546	0.4
61.98811	1.0
70.69363	0.5
70.69720	1.2
71.01035	0.5
71.01392	1.4
83.54466	0.4
89.02436	0.7
91.04005	4.1
96.96028	1.4
106.81607	0.4
111.08172	1.8
113.38013	0.4
115.00307	0.6
115.92216	0.6
121.02885	0.4
134.03773	0.4
148.03940	0.4
151.45465	0.5
175.27539	0.4
181.03648	0.4
197.11818	7.0
199.13524	0.6
211.13399	1.0
263.20184	0.4
265.18079	0.5
267.67307	0.5
291.19641	5.4
292.20206	0.5
309.20691	12.3
310.21075	0.8
327.25357	1.2
418.49362	0.4
443.19092	0.6
443.24646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31572	0.4
59.01376	1.8
61.98831	1.9
70.06290	1.6
71.01379	10.7
73.02940	0.4
74.11758	0.3
75.00867	0.5
79.64086	0.5
82.06116	0.4
85.02947	0.4
89.50465	0.3
96.95994	1.3
101.40535	0.4
103.00383	0.4
108.02173	25.8
108.05511	0.4
109.02449	0.7
113.02448	0.5
115.00376	8.5
123.04524	14.3
128.03528	0.7
133.01419	2.0
135.04514	1.6
149.10660	0.5
151.04054	0.6
151.55627	0.4
152.01146	29.5
153.01430	0.7
167.03485	100.0
168.03801	3.6
186.51411	0.4
193.05058	0.9
195.06601	0.6
209.04475	0.4
239.73613	0.4
251.05441	0.4
278.59464	0.4
283.08243	0.9
329.08737	13.9
329.12524	0.7
330.09109	1.0
445.19473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98818	1.7
63.89760	0.3
70.98083	0.9
71.01380	12.8
72.99302	0.5
79.53766	0.3
96.96033	0.8
99.67300	0.3
108.02169	25.4
109.02501	1.1
115.00365	9.6
123.03635	0.9
123.04519	13.2
128.03549	0.7
133.01414	4.7
135.04529	0.6
151.03967	0.5
152.01146	30.9
153.01508	0.7
167.03484	100.0
168.03831	3.6
193.04985	0.8
209.07997	0.5
220.43881	0.3
231.49847	0.4
255.24440	0.3
283.08405	0.5
329.08725	12.8
330.09213	0.8
417.63550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95893	1.1
59.01374	10.2
63.70931	1.1
64.60876	1.1
69.81758	6.0
71.01385	4.1
75.00868	62.4
89.02422	3.9
101.02448	1.7
101.54035	1.2
103.00366	100.0
104.00734	1.4
104.03512	2.0
113.02430	1.8
119.03419	1.6
131.49770	1.2
133.01439	1.3
144.03004	1.3
179.05685	3.0
208.88602	1.2
279.36136	1.3
341.10767	10.4
436.90979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
60.06086	1.1
71.01384	4.8
71.26610	1.7
75.00867	64.4
89.02440	4.4
98.20672	1.3
101.02428	2.3
103.00368	100.0
104.00714	1.2
104.03527	2.1
113.02439	1.3
165.02127	1.1
179.05577	3.0
191.05536	1.4
233.90839	1.1
253.94603	1.0
341.10623	9.1
359.33627	1.1
439.50900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38791	0.4
51.65038	0.5
54.70221	0.4
56.50390	0.4
57.03554	0.5
59.01181	2.4
59.01521	3.9
59.31235	0.4
61.98940	0.4
65.70346	0.4
69.48825	2.2
69.49232	0.9
71.01100	4.5
71.01542	11.1
72.01470	0.4
73.02731	0.5
73.03089	1.0
79.95853	0.5
80.96639	0.7
83.05194	0.4
85.03092	0.5
89.02579	0.9
90.81631	0.4
96.95502	2.3
96.96199	12.8
101.02615	1.2
107.08855	1.8
107.68005	0.4
113.02596	0.4
114.99694	1.4
115.00575	9.9
119.08787	0.9
122.97861	0.5
125.09920	3.6
127.11482	5.7
133.01636	1.8
137.09863	0.7
138.97189	0.9
143.03714	0.5
143.11070	0.5
155.10997	2.2
157.12408	0.8
165.08189	0.5
165.09395	1.7
171.10245	7.0
177.02023	0.5
179.10878	0.5
183.10397	1.3
199.09929	1.9
199.41501	0.5
201.11304	55.6
202.11681	2.5
229.19766	0.5
232.24326	0.5
241.00470	0.5
261.18631	1.0
263.16431	0.6
273.18658	1.3
291.19702	1.4
297.20520	3.3
309.20731	2.1
327.21732	100.0
328.22061	8.5
425.80173	0.4
443.19189	17.5
444.19870	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62803	0.7
57.03435	0.8
59.01366	2.7
59.22055	0.5
68.71790	0.6
69.66201	3.0
70.21443	0.6
71.01380	13.5
83.05000	1.2
85.02935	4.4
95.05000	0.6
96.96014	1.7
97.06589	2.8
98.19966	1.2
115.00362	8.8
125.09726	0.6
127.11243	1.3
133.01387	0.9
171.10274	10.4
177.12770	0.7
178.51340	0.7
179.53546	0.6
183.13890	2.6
185.11751	1.0
193.12291	1.2
197.03352	0.6
209.11752	1.0
211.13368	17.4
221.11771	2.6
229.14449	10.9
239.12924	1.8
261.85529	0.6
291.19635	2.7
309.20898	0.7
327.21741	100.0
328.22079	9.2
343.66669	0.7
443.19019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32308	0.8
59.01373	100.0
60.01704	1.2
61.98820	2.2
71.01394	2.0
71.52084	0.9
130.42104	0.8
209.11871	0.8
270.57428	0.8
276.25778	0.8
291.19656	2.1
309.20688	3.0
342.03168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98837	26.6
68.96125	5.3
71.01382	9.2
75.46683	5.2
96.65475	4.5
119.17827	4.9
177.54758	5.6
223.15852	6.1
252.14157	5.3
264.33652	6.0
304.63489	5.6
319.20898	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58146	0.3
53.66801	0.3
57.01811	0.3
57.03450	0.8
59.01372	0.8
64.31615	0.3
69.03445	0.7
69.67245	1.7
70.07294	0.3
71.01373	14.9
73.02935	0.4
83.05037	0.7
85.02949	2.2
95.05025	0.7
96.96001	1.1
97.06593	3.5
98.20623	0.3
101.47169	0.3
102.98569	0.4
105.09875	0.3
115.00359	8.9
125.09695	1.1
127.11267	1.7
133.01411	0.7
137.09599	0.4
155.10812	0.6
165.12791	1.0
166.09865	0.3
167.10680	0.3
167.14447	0.5
169.33333	0.3
171.10258	4.9
175.11240	0.3
177.12842	1.2
181.12433	0.4
183.13899	3.1
185.11777	1.4
192.25562	0.3
193.12321	1.2
197.11813	0.8
203.10712	0.6
203.44693	0.3
209.11859	1.9
211.13365	17.1
212.13673	1.2
221.11760	3.4
229.14407	13.3
230.14801	0.7
239.12889	1.8
247.20596	0.6
291.19638	3.4
309.20694	1.2
327.21719	100.0
328.22052	7.9
443.18558	0.5
443.23547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01867	1.9
57.03431	1.9
58.00581	1.9
59.01378	32.3
61.98834	1.2
69.13756	0.7
69.54948	3.7
71.01378	22.8
72.99306	1.8
73.02938	4.9
78.61078	0.6
83.01374	3.0
85.02940	8.8
86.00098	0.6
87.00854	1.3
89.02441	15.6
91.18882	0.6
95.01393	2.3
99.00881	2.5
101.02431	18.1
111.04508	0.9
113.02449	8.8
119.03499	5.2
133.01421	1.2
161.04532	1.4
219.13887	0.7
304.10901	0.7
354.15897	0.9
443.19177	100.0
444.19531	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01376	100.0
60.01707	1.2
61.98822	10.2
66.85405	0.5
69.12951	3.7
69.13374	2.0
71.01376	3.9
74.02456	0.6
75.00875	1.6
79.05527	1.5
81.03449	1.1
83.05024	1.0
85.02955	0.9
89.02438	0.8
95.01348	0.7
95.05009	4.9
96.95989	2.5
101.02438	0.7
108.02164	0.8
109.02973	0.9
115.00364	3.3
121.06601	1.1
123.04507	1.2
130.08763	0.6
133.01424	3.3
133.02895	0.9
135.02927	0.5
135.04494	1.3
135.08168	1.1
137.02463	1.0
149.09741	1.0
151.11212	0.9
159.08099	1.8
161.09708	20.3
164.08400	5.0
167.03494	0.7
177.09236	0.6
179.10759	94.4
180.11127	4.7
191.05721	0.9
203.05551	0.7
327.10696	2.4
353.24521	0.6
383.17212	0.7
443.19022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01942	1.0
53.81165	1.0
57.03438	2.9
58.00597	1.1
59.01375	25.2
61.98828	6.4
67.01906	1.4
71.01379	32.4
71.51103	1.6
72.99310	7.4
73.02936	2.4
75.00872	17.8
83.01390	1.7
84.15105	1.0
85.02947	26.1
87.00875	10.4
88.04021	1.4
89.02440	10.2
89.04001	1.0
95.01374	4.0
96.96019	5.2
96.96912	1.0
99.00873	8.9
101.02427	4.7
103.00352	3.3
111.00887	1.4
113.02447	34.8
114.05566	1.3
115.00384	8.0
117.01956	2.6
117.03445	3.7
120.01231	2.7
128.03525	3.0
129.01901	1.7
132.02170	1.3
133.01433	9.2
133.02951	1.6
134.03722	40.1
135.04446	3.4
137.09703	4.3
149.06073	3.5
151.07626	1.0
151.08842	1.0
160.01624	6.0
161.02379	2.2
161.04601	1.5
161.06009	1.1
161.09775	2.4
174.03169	1.3
175.02443	3.2
175.03976	10.7
177.09082	2.1
178.02757	1.2
179.03477	2.2
179.10748	7.2
184.42477	1.2
191.10757	4.9
193.03439	1.2
193.05035	24.7
193.08795	1.5
205.08748	1.8
207.05063	2.6
209.11716	1.7
221.08124	2.0
221.11748	1.4
247.09714	2.9
249.06099	6.8
267.07156	100.0
268.07333	4.8
283.73276	1.2
306.75653	1.0
313.06860	1.0
327.10785	4.0
328.17502	1.8
344.04102	1.0
383.17047	1.2
399.13174	1.3
443.11920	57.0
443.18781	4.2
443.25003	1.9
444.12210	7.2
444.18063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67292	0.2
57.43145	0.2
58.00588	0.3
59.01374	100.0
59.05025	0.2
60.01709	1.1
61.98815	0.5
66.56014	0.2
69.03457	0.4
69.37399	1.4
71.01375	7.6
72.99284	0.4
73.02940	6.5
73.40150	0.2
75.00899	0.2
83.01382	2.0
85.02943	1.7
87.00858	0.2
89.02445	3.3
89.02957	0.3
95.01405	0.4
96.96025	0.6
97.35139	0.2
101.02431	6.7
106.81094	0.2
113.02441	4.4
115.00423	0.3
119.03516	0.8
125.02406	0.2
131.03473	0.5
133.01395	0.3
135.04573	0.3
143.03574	0.5
161.04547	1.3
165.08951	0.2
175.15016	0.3
219.13947	0.3
325.20297	0.8
399.76550	0.2
441.21954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01376	100.0
60.01711	0.5
61.98829	5.5
62.60213	0.2
64.77909	0.2
66.58479	0.2
69.23867	2.0
71.01382	6.4
73.02942	2.1
73.18266	0.2
78.29408	0.2
83.01389	0.8
85.02947	2.7
87.00900	0.3
89.02443	2.1
89.79027	0.2
95.01408	0.8
96.96009	0.3
97.06613	0.2
99.00890	0.5
101.02433	3.6
113.02450	3.0
115.00394	0.4
119.03516	0.6
131.03473	0.3
137.02495	0.2
143.03468	0.3
161.04599	1.6
192.57851	0.2
290.28302	0.2
325.20367	0.5
381.23431	0.3
385.46661	0.3
399.24106	1.0
441.17654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.9
61.98827	25.5
64.11042	1.8
69.03418	1.6
70.62740	1.7
70.63059	3.1
71.01375	9.9
72.99271	2.0
73.01170	21.3
73.02948	1.8
74.00678	2.4
76.19326	1.4
79.05553	1.5
79.08466	1.4
85.02933	3.6
85.06661	1.7
87.00867	2.2
87.04507	3.9
88.98783	5.3
89.02430	4.4
96.95989	6.4
97.01157	2.5
99.00867	1.8
99.02729	1.9
99.04517	4.0
99.05638	1.6
101.02440	3.4
107.05016	4.0
109.06571	3.3
111.02750	1.8
113.02430	2.7
113.04297	14.8
113.06042	2.0
114.01389	1.7
114.05593	2.5
115.00343	6.9
120.01260	9.3
123.04476	1.9
123.08165	2.3
125.04294	10.7
125.09708	31.6
127.03976	1.6
128.03520	2.6
129.03809	2.1
133.01454	7.9
134.56883	1.7
139.07617	2.6
141.03781	7.7
141.09219	8.9
143.04405	2.0
143.05377	29.8
149.06006	2.1
151.07631	4.6
153.61569	1.8
157.06886	7.3
163.07687	1.7
165.09198	2.2
166.06340	1.7
167.07126	6.7
168.07901	22.9
169.06912	8.3
169.08672	23.3
177.01958	2.0
177.09167	3.3
179.03412	1.9
179.10757	3.9
185.06369	3.6
187.07961	18.6
189.12767	2.8
190.05032	5.2
191.05569	3.8
199.11217	2.8
203.26732	1.6
217.12273	2.2
240.11209	1.7
241.12288	2.8
244.10393	1.7
263.11035	5.3
264.41446	1.7
265.10727	2.6
269.03561	1.5
271.54114	1.9
273.14902	2.2
274.11176	8.3
275.11096	11.5
277.14536	2.3
281.12234	6.2
287.03104	1.7
293.12234	9.7
303.16003	2.4
306.07907	1.9
307.13712	3.3
311.13217	39.2
312.13449	3.3
319.13885	3.1
325.14511	2.7
337.14743	10.4
353.99612	1.7
355.15778	27.2
397.16888	2.3
412.18018	2.7
424.17993	2.5
439.62610	2.1
442.18964	100.0
443.12466	2.4
443.19189	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
57.03442	0.8
58.00589	0.7
59.01375	100.0
60.01711	0.8
61.98825	1.3
67.45322	0.3
68.99562	1.1
69.03442	1.5
69.29121	2.5
71.01376	28.4
72.39877	0.3
72.99313	1.0
73.02941	32.9
75.00872	0.8
83.01382	9.0
85.02455	0.5
85.02941	4.0
87.00882	0.7
89.01887	0.5
89.02437	7.2
95.01384	0.7
96.95988	0.6
97.02966	0.6
97.83773	0.4
98.19897	0.7
99.00890	0.7
100.99783	0.4
101.02438	27.2
104.01690	0.4
112.98577	0.8
113.02436	10.1
114.02848	0.4
115.00407	0.6
119.03499	1.9
125.02464	1.0
131.03470	2.1
133.01427	0.4
143.03459	2.2
149.04559	1.4
155.03542	0.8
161.04539	3.8
203.05603	0.6
227.12712	0.4
325.20233	1.4
441.23169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01873	0.3
57.03439	0.4
58.00547	0.2
59.01377	100.0
59.89838	0.1
60.01715	0.9
60.17095	0.1
61.98833	0.2
69.98171	0.3
69.98566	0.3
71.01379	5.5
73.02941	1.9
83.01403	0.6
85.02945	2.2
89.02435	2.1
95.01400	0.6
96.96008	0.3
98.19927	0.1
99.00893	0.5
99.24274	0.2
101.02436	2.9
102.02757	0.2
102.22057	0.1
113.02442	2.3
114.61166	0.2
115.00373	0.3
119.03525	0.6
121.02939	0.2
143.03537	0.2
159.02966	0.2
161.04556	1.5
177.01808	0.2
179.05663	0.4
191.17790	0.2
218.05034	0.2
290.90341	0.1
325.20395	0.5
341.20013	0.2
399.23801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78532	1.2
59.01363	6.7
59.01612	1.0
61.98809	2.8
63.91015	1.1
71.01377	33.1
71.51104	1.8
72.01690	1.1
72.99300	5.0
75.38187	0.9
85.02941	1.4
87.00871	3.3
89.02444	4.1
95.04979	1.8
96.96017	13.4
98.95605	1.2
101.02422	2.6
105.03468	1.5
109.02956	3.3
113.02494	1.1
115.00370	62.9
120.01260	1.6
133.01428	100.0
133.02899	13.2
134.01747	2.5
134.03685	1.5
135.04512	31.8
137.02429	1.9
145.01349	1.8
146.03693	2.6
147.04488	5.5
149.06042	3.0
151.03973	1.5
159.04497	1.8
160.05209	1.8
161.02477	5.5
162.03166	2.0
172.05260	2.0
173.04529	1.8
173.06003	2.3
174.03198	2.5
175.03966	2.9
175.07632	3.3
176.04768	17.0
177.01923	10.2
177.05510	4.2
179.03490	48.7
180.03915	1.8
187.04039	2.1
187.07626	11.5
188.07997	1.1
189.05565	2.1
190.06363	4.0
191.05621	1.6
191.07121	8.7
191.10902	1.2
192.59897	1.1
199.07527	1.4
201.05559	1.5
201.09189	4.6
202.06331	2.5
203.07123	2.3
205.08682	20.4
206.09018	1.7
213.09082	1.5
217.08685	12.9
218.09111	1.4
219.10228	2.9
231.10281	5.1
233.11829	1.4
245.08131	1.6
249.07620	1.6
249.11261	8.1
263.09131	3.4
263.12906	6.0
281.14020	2.1
293.09921	1.9
307.04559	5.8
307.08127	32.3
308.08682	2.4
310.84848	1.1
325.09204	16.5
325.12933	4.1
441.09103	3.7
441.14587	1.7
442.19214	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	1.2
59.01376	22.1
61.98827	2.2
69.28942	7.1
71.01379	27.5
72.99287	3.8
87.00869	3.0
89.02430	2.2
90.13200	0.9
96.96011	4.3
97.06599	1.3
98.19913	1.9
109.02965	1.1
115.00361	54.8
122.03766	1.0
133.01424	100.0
134.01726	2.9
134.02722	2.0
134.03728	31.7
135.04482	4.1
136.01649	27.3
136.02646	1.9
137.02409	1.6
146.03717	1.0
159.04579	1.5
172.05302	2.6
173.06084	1.7
177.47545	0.9
187.04016	1.9
187.07625	31.9
188.08020	1.6
201.05458	2.6
202.06323	10.3
213.09196	3.7
215.07043	3.8
231.10234	28.4
232.10576	1.9
233.08131	3.9
263.12814	9.1
275.09235	18.3
276.09583	1.3
281.13879	2.5
293.10156	3.6
307.11905	11.4
322.22684	0.9
325.12888	51.5
326.13174	4.4
441.14078	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	1.0
61.98829	5.8
67.01894	0.4
70.25978	0.4
70.26307	1.6
71.01379	8.8
72.99290	0.7
73.02954	1.6
78.95903	0.6
83.01367	0.5
83.05033	1.2
85.02946	2.7
87.00891	0.9
89.02455	1.2
93.03470	2.1
93.45689	0.5
96.96010	3.5
98.19955	0.5
98.95599	2.1
99.00902	0.6
99.04538	0.4
100.96046	0.4
101.02445	2.4
103.76984	0.4
111.04508	0.6
112.48956	0.4
113.02467	2.4
113.69345	0.4
113.70142	0.4
115.00377	3.9
119.03472	0.8
125.02412	0.4
127.04006	1.8
133.01421	6.2
134.03711	0.5
135.04538	1.6
154.23439	0.4
161.04570	2.3
167.01704	0.5
167.05164	0.4
169.12286	1.0
173.04533	7.8
173.06023	0.4
179.03468	0.9
191.05751	0.5
203.10815	1.0
215.21671	0.4
220.16570	0.4
223.99223	0.5
243.16127	0.6
243.45236	0.5
267.16061	1.3
269.13055	1.3
307.19199	0.8
313.11804	0.9
325.20102	4.1
339.08575	0.7
399.23932	1.8
400.24332	0.5
405.21326	2.4
441.09567	0.5
441.17365	3.2
452.94333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59559	0.9
60.60421	1.1
61.98822	10.1
64.76363	0.9
68.10519	0.9
70.91859	1.9
71.01381	2.8
72.00899	11.1
72.99331	1.3
73.48677	1.1
78.95900	1.9
96.04556	1.5
96.96000	10.3
96.96938	1.8
98.02488	1.1
98.95610	1.2
103.24235	1.0
114.05605	30.5
115.00387	3.2
115.05908	1.3
120.27172	1.1
121.36185	1.0
127.08736	1.8
133.01414	5.9
133.02943	1.5
135.04460	1.5
154.30780	1.0
171.07758	14.0
172.08070	1.0
179.03506	1.0
185.68301	1.1
209.09731	11.5
224.10664	2.0
236.10779	6.7
253.08720	3.3
256.09827	1.5
261.27740	1.1
268.09586	1.2
270.11368	3.3
280.09879	5.3
297.12497	6.0
318.14941	3.8
325.11966	4.4
334.14465	1.2
343.12915	1.3
364.19919	1.2
379.16794	1.6
440.18231	100.0
441.18503	11.0
462.97696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37531	0.2
52.75864	0.2
59.01380	1.1
61.98826	100.0
64.16764	0.2
70.33929	0.6
70.34268	0.3
71.01381	3.6
72.15620	0.2
74.83739	0.2
76.21455	0.2
77.38573	0.2
78.91895	0.3
79.95752	0.2
96.96016	2.0
98.19925	0.2
98.45827	0.2
98.95586	2.9
98.96437	0.4
113.02512	0.3
115.00365	2.2
131.29099	0.2
133.01414	1.6
135.04552	0.4
142.14571	0.2
150.99519	0.2
158.04524	0.2
179.03537	0.3
213.96353	0.2
223.45082	0.2
231.10506	0.3
267.07288	0.2
267.16031	0.5
279.02963	0.3
281.44366	0.3
298.78046	0.2
325.12915	0.3
351.01401	0.5
366.03815	0.5
381.06149	2.1
427.20712	0.2
440.09186	2.0
441.14148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87616	0.5
58.60689	0.5
59.01377	38.2
60.01717	1.2
61.98828	100.0
69.03455	0.5
69.89807	0.6
71.01375	6.5
71.51929	0.7
72.01714	0.6
72.99318	0.7
73.02950	0.6
78.96684	0.5
80.42951	0.5
85.02966	1.6
96.96016	0.9
101.02443	1.6
113.02459	1.2
115.00348	1.3
127.07620	0.8
133.01453	1.4
155.08890	0.7
161.04610	1.3
171.10330	0.8
180.59056	0.6
197.11887	0.9
209.11855	2.1
229.14462	1.0
233.55040	0.5
291.18259	1.7
307.19214	2.9
310.40765	0.6
325.20197	3.9
440.23172	0.8
462.56168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62548	0.3
58.34749	0.3
59.01377	41.7
60.01690	0.4
61.98828	100.0
67.27222	0.3
68.99567	0.6
71.01387	4.3
71.52378	0.5
72.99300	0.4
73.02943	1.2
81.09013	0.3
83.01359	0.4
85.02924	1.8
89.02449	0.7
96.95983	0.8
101.02458	2.5
101.31589	0.3
108.07111	0.3
108.56897	0.3
112.98535	0.7
113.02434	1.2
115.00353	0.7
133.01395	0.9
161.04530	0.7
211.13397	0.5
223.13249	0.5
229.14359	0.8
259.94980	0.3
290.87918	0.3
291.18219	2.5
325.19888	0.9
333.18823	0.5
399.23596	0.6
440.29672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11230	0.3
55.01882	0.4
57.03407	0.4
59.01375	100.0
60.01704	1.1
61.98824	9.5
71.01378	5.6
71.51221	0.5
73.02940	0.9
74.02458	0.4
83.01384	0.5
85.02959	1.3
85.58633	0.3
89.02462	1.0
95.01439	0.3
96.95992	6.8
97.06611	0.4
98.95606	0.4
99.00861	0.4
101.02420	2.3
113.02431	2.2
115.00365	0.8
119.03533	0.5
119.05048	1.2
120.99648	1.7
129.10324	0.6
133.01437	1.2
135.39561	0.3
146.27504	0.3
155.10361	0.4
159.00781	0.4
161.04477	2.3
163.04002	0.7
171.11382	0.3
172.05287	0.4
201.09273	0.8
209.11992	0.4
235.16841	0.5
241.00304	1.5
276.56778	0.3
291.52853	0.3
298.00229	0.3
305.17609	0.4
313.40463	0.3
323.11307	0.5
323.15186	0.4
323.18723	0.8
355.46475	0.4
359.15259	0.7
376.18790	1.6
377.19138	0.4
379.21390	0.4
397.22357	1.3
439.12216	1.6
439.16614	1.6
439.27225	0.5
439.60547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16656	0.3
59.01371	1.7
61.98824	3.2
66.08542	0.3
69.54173	0.7
69.54588	1.8
71.01373	3.3
72.99298	1.4
73.02927	0.4
76.46982	0.4
78.95903	2.6
79.95735	3.5
80.96503	2.0
85.02963	0.4
87.00861	0.8
89.02438	0.6
90.35977	0.4
95.95242	0.8
96.96002	100.0
96.96886	4.7
99.00836	0.6
101.02469	0.5
110.97556	0.8
111.85159	0.3
115.00366	1.8
133.01419	3.4
137.02316	0.5
138.97044	4.3
146.03708	0.7
150.97086	0.6
159.49142	0.4
160.04010	1.1
168.98056	0.6
173.06085	0.6
174.03169	0.5
175.07584	1.8
177.01924	0.8
189.05495	0.8
203.07150	0.9
217.04956	0.5
222.99147	1.4
241.00214	12.7
243.03050	0.9
247.09755	0.4
249.07643	0.9
261.03699	0.4
341.08557	0.5
366.08270	0.6
371.44928	0.4
439.09097	44.1
440.09357	4.3
450.56732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99748	0.6
58.41499	0.7
59.01377	8.9
59.92487	0.8
61.98820	7.9
65.06382	0.7
68.98225	0.7
71.01374	6.9
71.06176	1.5
79.95731	55.5
89.02451	2.3
95.95228	15.4
96.96004	98.9
100.16466	0.7
101.02438	1.4
110.97563	7.0
111.24363	0.7
115.00408	1.6
119.03482	1.3
119.05031	0.7
133.01421	1.9
135.04520	1.3
137.02438	2.5
141.95761	1.9
149.99922	2.4
177.05566	0.8
186.76091	0.7
223.13390	2.0
235.09813	0.7
241.00162	1.1
259.02957	1.0
261.11203	0.9
329.13770	0.8
403.19730	17.8
404.20062	1.9
424.08350	2.7
439.10626	100.0
440.10889	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88343	1.6
59.01374	16.4
61.98829	13.5
65.96134	1.7
69.67509	10.7
71.00969	1.9
71.01378	71.3
72.99304	88.0
73.02948	1.9
75.00878	15.3
84.49819	1.7
85.02920	2.9
86.33578	1.9
89.02431	4.5
93.03433	3.5
95.01366	3.7
96.96002	23.8
98.20716	1.8
99.04496	1.9
101.02440	3.4
109.02968	9.7
111.00861	5.0
113.02482	2.2
114.05605	3.1
115.00362	52.3
116.00674	2.7
119.05018	6.8
121.02950	2.6
122.03716	3.0
123.00893	9.0
123.04517	4.0
124.01645	7.0
127.18363	1.6
133.01425	63.4
133.02928	4.3
134.03714	2.0
135.04492	9.7
136.01649	2.4
137.02441	26.2
139.04001	2.5
139.63698	1.9
145.02919	2.4
146.03732	7.7
147.04449	3.7
149.02455	6.5
149.06041	4.1
150.03238	4.6
151.00385	2.1
151.04001	4.7
159.04526	4.6
161.02435	16.5
161.06046	5.9
162.03236	4.6
163.03967	8.9
164.01157	2.1
165.01985	3.5
165.05516	7.1
167.03551	4.3
172.05275	6.2
173.02425	2.5
173.06042	3.2
174.03212	30.1
174.06651	1.9
175.03975	13.6
175.07591	5.2
176.01065	3.6
176.04724	7.2
177.01918	58.7
177.05489	14.4
178.02361	2.3
179.03487	4.7
179.07112	4.3
185.05943	2.2
187.03973	6.7
187.07640	13.5
188.04773	5.5
189.01952	10.8
189.05553	44.2
189.76674	2.0
190.02657	7.7
190.05923	2.9
190.99950	2.1
191.03488	7.1
193.01404	3.0
193.04996	3.8
194.02214	2.8
200.04788	5.5
201.05598	2.6
202.02655	5.8
202.06311	3.1
203.03410	5.2
203.07111	24.4
204.04247	9.8
204.07512	2.6
205.01396	7.1
205.04990	15.1
205.08667	3.6
206.02223	11.8
206.05785	3.5
207.06604	12.0
214.02592	4.7
215.07115	11.4
217.05093	13.4
217.08644	3.7
218.05785	8.1
219.02881	2.5
219.06616	7.5
223.05971	2.3
225.05424	1.9
231.06551	6.3
232.03725	7.3
233.08134	12.8
235.06148	11.2
243.06551	8.4
247.06078	5.1
247.09685	3.6
249.07654	100.0
250.07980	5.6
261.07684	16.3
279.09006	2.6
281.93332	2.2
323.11423	8.9
403.19669	4.4
438.23938	3.1
439.07303	4.5
439.12347	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85997	1.9
58.53083	1.9
59.01377	10.5
61.98829	31.1
62.89387	1.9
68.99799	1.9
69.42775	14.2
71.01376	66.3
72.99303	96.2
73.02936	2.2
75.00874	9.0
78.95905	5.5
83.01369	2.3
85.02925	3.1
87.00875	20.2
88.98782	3.1
89.02453	6.5
93.03440	3.7
95.01408	2.7
96.96021	23.1
98.44100	2.1
101.02438	6.6
108.02185	2.8
109.02962	9.9
111.00867	5.3
115.00361	57.0
120.01253	12.9
121.02937	4.0
122.03736	2.8
123.00867	12.7
123.04550	3.2
124.01642	13.6
125.02453	14.7
127.81738	1.8
133.01421	70.6
133.02974	5.1
134.06082	2.4
135.04503	16.0
136.04015	2.4
136.07654	5.3
137.02435	26.7
139.00308	3.4
139.04048	3.1
146.03728	27.8
147.04407	3.9
148.01677	2.3
149.02470	11.6
149.06053	4.4
150.03227	8.1
151.04051	2.6
159.04530	5.5
161.02451	9.2
161.04623	2.7
161.06088	6.7
161.92526	2.0
162.03142	5.0
163.03952	7.9
165.01881	7.8
165.05539	7.4
166.99796	2.9
167.03482	14.3
172.05278	3.2
173.06027	4.7
174.03177	28.3
175.04028	13.3
175.07613	56.8
176.01086	3.4
176.04747	7.5
176.07986	1.9
177.01917	67.9
177.05467	14.8
178.02402	4.4
179.03485	5.6
185.06064	5.5
187.03981	5.6
187.07617	19.2
188.04753	7.4
189.01942	8.4
189.05531	22.6
190.02644	6.0
191.03448	8.1
191.05554	2.0
191.07195	2.2
195.06537	5.2
200.04723	5.1
201.05441	2.6
202.02805	4.3
203.03517	4.3
203.07120	39.9
203.12801	2.3
204.04250	5.6
205.01453	4.0
205.05003	18.8
205.08644	3.8
206.02165	9.2
206.05797	4.7
207.06714	3.2
215.07053	9.4
217.05055	10.3
217.08772	2.0
218.05756	5.6
219.02908	4.1
219.06598	4.9
221.08211	2.6
225.56926	2.2
231.06602	6.8
232.03790	2.7
233.08212	5.4
235.06091	8.6
235.09755	5.5
243.06555	7.1
247.06157	4.7
247.09703	15.6
249.07655	100.0
250.08035	5.4
256.11676	10.7
261.07581	13.0
265.72885	2.5
274.12634	5.5
291.08667	9.7
299.15894	4.9
323.11215	3.6
343.14825	4.3
434.99860	2.2
439.16833	7.0
439.21817	3.7
440.16864	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24897	0.3
58.75810	0.3
59.01370	1.8
67.94383	0.2
69.54321	1.8
71.01370	2.2
71.28214	0.2
72.99315	0.7
75.00878	0.5
78.95900	12.5
79.95737	2.4
81.96983	0.3
85.01018	0.4
87.00900	0.5
89.02456	1.1
96.96010	100.0
96.96938	26.5
97.95946	0.3
98.19904	0.5
99.00897	0.6
101.02435	0.7
111.00845	0.6
112.98830	1.0
113.02457	0.3
115.00373	1.8
119.03505	0.5
129.01947	0.4
133.01411	2.5
135.04538	0.3
136.73936	0.3
142.99832	0.7
145.01411	1.1
158.16991	0.3
179.05565	0.4
206.60606	0.4
233.04585	0.8
243.03200	0.6
261.04007	0.4
263.05771	1.3
293.76062	0.3
306.89325	0.3
341.10846	1.2
345.06189	0.3
439.08936	4.7
440.09579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07221	0.3
59.01369	1.1
68.29270	0.3
69.71771	1.4
71.01392	1.4
73.22134	0.2
76.89433	0.3
78.95898	12.3
79.95735	2.1
89.02444	1.3
96.96005	100.0
96.96959	26.9
97.95926	0.3
98.20634	0.6
101.02431	0.6
113.02460	0.4
115.00370	0.5
133.01425	0.4
137.85959	0.3
179.05589	1.0
250.06163	0.3
341.10880	2.1
397.79666	0.3
422.04822	0.3
439.08612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98828	10.1
70.14801	1.1
71.01378	2.0
72.99301	0.7
75.00877	0.3
78.95903	7.6
79.95737	2.2
81.26244	0.3
84.99725	0.3
87.00881	0.4
89.02444	0.7
90.97135	0.5
94.72087	0.3
96.96008	100.0
96.96927	16.6
97.95897	0.3
98.02444	0.2
99.00878	0.5
101.02437	0.5
113.02520	0.4
115.00382	1.0
118.96643	2.9
130.96649	0.5
132.98198	1.2
133.01445	0.7
140.12375	0.3
148.97685	0.4
156.98206	0.8
160.97665	0.9
176.52832	0.3
198.99303	0.4
202.95114	1.7
202.96788	0.3
210.99310	0.7
217.00299	3.4
229.00342	0.5
244.96167	1.0
259.01285	1.5
263.05930	0.3
283.95679	0.3
304.98160	1.4
319.03485	0.3
341.10989	0.7
366.93436	0.3
379.02426	0.3
411.91315	0.3
439.08725	2.5
440.09430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91239	0.8
59.01376	7.8
61.98824	8.2
65.01826	0.9
68.68221	0.7
70.66784	2.2
71.01380	32.9
72.99304	6.4
73.02930	2.3
75.00862	1.1
78.95916	1.2
79.95735	0.8
85.02956	2.4
87.00858	2.8
88.98810	0.9
89.02454	5.8
96.96015	17.6
96.96661	1.2
96.96941	1.6
99.00868	1.1
101.02448	4.6
113.02433	2.3
115.00369	62.2
116.00704	1.0
117.07094	0.9
119.03553	1.5
119.05021	1.0
120.01234	2.2
122.06104	0.9
125.02419	1.0
125.06111	1.9
133.01425	100.0
134.01779	2.7
135.04520	2.9
143.04973	1.1
143.07138	6.8
145.02753	0.8
146.03693	2.0
147.04523	4.0
149.06030	1.2
150.03232	1.4
158.03711	4.9
159.04474	1.7
161.02466	1.0
161.04550	2.6
161.06026	4.0
162.50748	0.8
163.07617	8.8
165.01807	1.0
165.05502	1.1
171.04504	12.0
172.05191	1.6
173.02455	1.1
173.06056	25.1
174.03217	12.7
174.06462	1.1
175.03992	6.8
175.07620	3.3
176.04765	5.1
177.02005	1.2
179.03369	0.9
179.05573	1.4
180.06673	1.1
187.04070	1.5
187.07607	1.1
189.05553	22.5
190.05946	0.7
191.05647	1.3
191.07114	6.8
195.06569	1.5
196.80630	0.9
203.07120	3.1
204.67973	0.8
207.06601	1.4
217.05042	24.0
218.05493	1.6
219.02986	5.1
228.00645	2.9
233.04504	9.3
234.04875	0.8
235.06126	6.0
243.02953	59.8
244.03336	4.7
247.09680	1.1
256.11783	1.2
261.04025	26.1
261.07605	3.0
262.04291	2.7
277.12842	2.3
279.05127	5.2
279.07843	1.0
287.01932	1.6
305.02988	3.2
323.03970	1.9
439.05182	2.3
439.17859	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	438.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91766	3.0
61.98829	100.0
64.97117	3.1
71.69598	3.0
76.56688	2.8
82.40498	2.6
136.46118	3.0
203.21814	3.0
215.47458	3.1
253.13698	3.7
270.21616	2.8
446.49332	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	438.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26569	0.2
59.01378	1.5
61.98828	100.0
70.43198	0.5
71.01379	1.0
72.99322	0.3
73.02932	0.2
74.26354	0.2
79.95741	0.4
96.96011	5.0
98.95573	0.5
99.38375	0.2
115.00392	0.5
119.05042	0.3
133.01460	0.3
137.22459	0.2
159.04483	0.3
179.03508	0.3
201.09210	0.4
204.60020	0.2
233.11790	0.9
255.11679	0.2
270.80197	0.2
271.26343	0.2
377.68265	0.2
438.09601	1.5
438.15292	0.5
438.25751	0.5
439.16614	0.4
439.27310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26569	0.2
59.01378	1.5
61.98828	100.0
70.43198	0.5
71.01379	1.0
72.99322	0.3
73.02932	0.2
74.26354	0.2
79.95741	0.4
96.96011	5.0
98.95573	0.5
99.38375	0.2
115.00392	0.5
119.05042	0.3
133.01460	0.3
137.22459	0.2
159.04483	0.3
179.03508	0.3
201.09210	0.4
204.60020	0.2
233.11790	0.9
255.11679	0.2
270.80197	0.2
271.26343	0.2
377.68265	0.2
438.09601	1.5
438.15292	0.5
438.25751	0.5
439.16614	0.4
439.27310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98831	50.3
64.39009	9.6
69.44564	70.7
71.01391	62.4
71.01729	10.9
77.76212	10.1
83.21391	9.0
84.21275	10.1
89.02418	9.3
96.96011	28.3
106.83533	9.7
110.88184	8.8
112.98668	11.2
115.00388	20.5
119.03538	11.3
133.01393	14.2
135.76816	9.2
139.07639	14.9
153.01978	14.1
171.10242	10.0
233.15448	11.0
350.25433	11.5
374.01263	11.1
421.91705	10.6
437.22202	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	438.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73771	1.7
59.01368	5.2
61.98823	2.7
70.91863	3.3
71.01382	12.1
72.99290	12.0
75.00852	2.4
77.70969	1.6
80.63014	1.5
87.00904	2.4
89.02406	1.9
95.05031	1.9
95.33022	1.7
96.96059	3.1
102.58586	1.6
109.02953	2.4
115.00347	9.4
120.01247	100.0
121.05367	2.5
122.06122	3.9
123.00867	2.0
124.01605	2.2
133.01422	12.3
134.06107	11.2
136.04050	21.6
136.07663	47.7
137.02444	3.5
137.08037	2.2
138.05632	3.5
146.03717	2.3
160.24289	1.7
162.05675	2.1
165.05528	2.0
170.02831	2.7
174.03201	3.8
175.07663	2.6
176.04619	2.2
177.01917	11.1
177.04079	1.6
177.05577	2.8
177.10388	2.0
187.07684	3.6
189.01863	1.9
189.05600	3.7
191.03511	1.7
203.07091	5.2
204.04276	1.9
204.10321	1.7
205.05075	2.6
212.10793	6.0
215.09399	2.4
216.05489	2.0
217.05009	2.0
230.11797	7.6
239.08267	3.3
240.08965	4.6
247.09723	3.6
249.07658	17.7
255.11357	75.4
255.15099	3.6
256.11774	6.9
269.11642	2.5
273.12415	64.0
274.12698	4.3
283.13440	2.5
289.10083	3.2
298.15616	31.1
299.10324	16.6
317.11371	9.4
333.09143	7.3
342.14514	32.8
343.14771	2.3
438.13812	2.8
438.19998	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	437.2179
Annotation	Lasiokaurinin
Peak:m/z	Relative Intensity
50.15644	0.3
52.45860	0.3
55.01867	0.5
56.93684	0.3
57.03448	1.5
58.00598	0.9
59.01377	52.6
60.01719	0.5
61.98824	0.7
67.01872	2.1
68.99806	0.7
69.03452	100.0
69.36423	2.1
70.03776	2.0
71.01379	12.1
72.99317	1.2
73.02934	1.7
79.01899	0.4
81.03458	0.7
83.01377	1.9
83.05031	0.7
85.02954	4.1
86.00102	0.7
87.00895	0.8
88.00381	0.3
89.02457	1.0
95.01384	2.9
97.02955	1.1
98.19943	0.6
99.00871	1.0
101.02429	3.1
108.02215	0.3
111.00861	0.4
111.04539	0.8
112.01672	1.1
113.02443	2.4
119.03530	0.5
121.02919	0.8
123.04535	0.6
124.01655	4.0
125.02447	2.3
136.68765	0.3
143.03468	0.4
181.12296	0.4
183.13892	1.2
199.13275	0.3
207.13921	0.7
209.11807	0.7
223.13403	0.9
233.15392	2.8
235.17033	0.3
251.16516	1.7
280.03928	0.5
287.12747	0.3
293.17429	0.5
305.17551	1.7
325.16565	1.5
327.18097	1.2
345.19162	0.5
351.18188	2.3
367.17679	2.3
367.21561	0.5
368.17883	0.3
377.14966	0.5
377.19681	5.4
378.19830	0.6
395.20746	9.2
396.20596	0.7
419.20670	0.4
437.21750	45.6
438.22079	5.9
455.62411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.3
61.98826	1.5
65.27171	0.5
67.51415	0.5
71.01371	0.8
71.51685	0.5
71.52073	0.5
72.99306	100.0
73.02892	0.7
75.00863	2.8
87.00871	5.4
95.11916	0.6
96.96041	1.2
105.01929	54.9
106.02287	0.6
117.01938	2.6
121.03068	0.6
133.01439	1.5
161.00920	26.9
162.01402	0.8
162.89493	0.5
396.75372	0.5
437.22668	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	437.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01370	8.2
59.01631	1.2
60.42091	1.2
61.89702	1.2
61.98825	65.5
71.01375	3.4
72.99303	100.0
73.02921	4.3
73.99650	1.7
75.00862	11.2
80.44794	1.4
80.96507	1.4
83.01376	13.9
87.00869	6.3
96.95995	1.6
99.00883	2.3
101.02429	18.9
105.01926	56.3
117.01923	8.2
127.00384	7.5
133.01389	2.5
133.56915	1.3
145.01405	4.0
161.00912	29.2
172.46516	1.4
256.09439	1.4
303.28198	1.4
309.20599	6.5
374.03412	1.8
437.21683	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	437.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74536	0.6
59.01374	52.0
61.98823	8.4
69.66261	3.5
70.50199	0.5
71.01377	23.7
72.99288	2.3
79.95766	0.6
80.52188	0.6
87.00909	0.8
89.02470	2.8
89.77434	0.6
90.35624	0.6
94.93095	0.5
96.96004	17.9
96.96622	1.2
101.02421	0.7
115.00363	43.0
116.00715	0.8
124.48540	0.6
128.34308	0.7
130.37038	0.5
133.01419	100.0
134.01749	2.4
135.04454	1.4
179.03371	0.7
183.04483	19.7
184.05005	1.2
185.06061	0.7
187.07576	1.1
196.05313	1.8
197.06046	3.7
197.55234	0.6
198.06558	0.6
213.09187	63.3
214.09549	5.8
215.10823	0.8
218.49629	0.6
244.18997	0.6
245.11819	1.6
257.08282	5.3
277.14401	1.5
289.10776	57.0
290.11133	3.3
295.91656	0.6
321.13403	28.4
322.13821	1.6
405.11694	2.0
437.09039	2.4
437.14301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01376	100.0
61.98829	3.9
70.74249	0.8
71.01373	16.1
71.52227	1.4
72.99284	0.8
73.02937	3.5
83.01352	1.0
85.02928	5.8
87.00890	1.8
89.02432	3.5
89.82908	0.8
93.89816	0.9
95.01364	1.3
96.95998	1.6
99.00863	1.7
101.02434	8.2
113.02462	4.0
115.00368	2.1
119.03532	1.0
133.01363	2.3
135.15233	0.8
149.09734	1.3
161.04579	3.6
207.66484	0.9
209.11728	2.4
252.68184	0.9
280.03467	1.1
290.78247	1.0
295.06049	1.3
315.18103	7.4
357.00058	1.0
357.19116	1.4
437.21838	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	437.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.0
60.99303	13.9
61.98817	1.9
65.16127	1.0
66.78204	0.8
69.57728	5.5
71.01389	9.6
71.04990	1.0
75.00872	1.2
85.02935	1.4
88.98798	100.0
89.02462	1.3
89.99089	1.3
94.04971	0.9
96.79280	0.9
96.96004	11.4
99.00858	1.0
101.02411	2.2
113.02431	2.0
115.00350	4.9
133.01401	4.8
133.02969	1.1
135.04488	4.5
179.03375	2.1
187.13350	2.3
188.79594	1.0
189.67372	0.9
191.05629	1.7
197.83904	0.9
241.00145	2.4
321.13690	2.2
377.28864	3.3
401.18103	2.1
437.05820	1.0
437.14771	1.7
437.20230	3.5
437.25742	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	437.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50189	0.5
57.80427	0.5
58.75042	0.6
58.76255	0.6
59.00938	0.7
59.01070	0.9
59.01378	44.1
61.98827	77.2
71.01379	21.4
72.99300	2.8
73.02950	0.9
74.65783	0.5
79.95734	2.7
80.10278	0.5
80.36591	0.6
85.48602	0.6
87.00840	0.7
89.02443	2.7
96.96008	38.9
100.81602	0.6
101.02470	0.8
103.58346	0.6
113.02352	0.7
114.76556	0.6
115.00365	41.2
116.00691	1.0
117.99052	0.6
133.01424	100.0
134.01736	1.6
135.04527	2.5
137.02560	0.7
143.10707	0.6
180.40802	0.7
183.04483	16.5
183.64403	0.7
184.04964	1.1
185.09865	0.8
187.07643	1.4
196.05263	1.7
197.06049	1.3
213.09198	56.0
214.09555	3.5
215.10791	0.8
229.04941	0.8
245.11852	2.1
257.08167	4.5
277.14459	1.7
289.10800	44.1
290.11166	4.6
298.93869	0.6
321.09625	1.3
321.13394	20.0
322.13782	1.7
377.28058	1.1
405.12100	1.0
437.09106	11.8
437.14502	1.3
437.25403	1.1
438.09436	1.2
448.57446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24987	0.2
59.01377	23.4
60.01720	0.4
61.98827	2.5
69.76176	0.9
70.29918	0.2
71.01379	2.7
72.99321	0.4
75.00875	0.2
79.95737	2.4
80.96503	0.2
85.02939	0.2
89.02451	0.4
96.96005	100.0
97.95956	0.3
114.99566	0.3
115.00365	4.6
116.00644	0.2
133.01424	10.5
134.01784	0.3
135.04497	0.7
136.15958	0.2
139.03969	0.2
142.17792	0.2
142.89418	0.2
179.03380	0.3
183.04509	0.4
213.09184	1.9
217.83255	0.2
277.14508	0.2
289.10754	1.1
297.07761	0.3
321.13474	1.8
321.17047	0.3
335.20883	0.3
355.89404	0.2
377.29105	0.4
437.09085	13.1
437.14706	0.5
438.09384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87008	0.3
59.01377	4.8
61.98830	2.6
67.64546	0.3
71.01379	4.8
72.99297	1.2
73.02949	0.9
79.95741	2.8
80.96504	1.3
83.01400	0.5
83.05036	0.4
84.93159	0.3
85.02932	1.5
87.00882	0.9
89.02457	1.5
90.14251	0.4
95.95244	0.9
96.96005	69.1
101.02431	2.3
113.02429	1.0
115.00365	1.9
115.92065	1.3
116.92836	0.4
119.03452	0.4
119.05052	0.5
120.01237	3.7
122.97591	0.9
123.03197	0.4
125.02448	0.3
133.01427	1.7
134.06131	1.6
135.04523	0.7
136.07709	1.1
138.05591	1.8
138.97047	1.1
139.07655	2.1
145.01433	0.7
150.97067	1.9
159.64026	0.3
161.04573	0.5
162.57959	0.3
163.03857	0.4
164.98595	0.4
177.09209	0.5
180.98148	0.9
181.04987	0.4
181.08650	0.6
191.05522	0.7
193.49739	0.3
197.20464	0.3
201.11295	1.0
202.11905	0.3
221.11566	0.4
230.11850	0.5
231.86006	0.4
240.08954	0.4
241.00211	7.4
255.11400	3.1
266.11859	0.5
273.12503	1.5
298.15649	0.6
299.10211	0.7
317.11395	0.4
321.15585	4.0
342.15018	0.4
377.18146	0.4
437.11136	100.0
438.11508	9.0
438.20752	1.3
446.42508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
61.98830	3.5
71.01378	1.2
71.51957	0.2
79.95733	7.4
83.93864	0.2
85.02927	0.3
87.04513	0.3
95.95276	0.3
96.96005	100.0
97.95963	0.3
101.02483	0.2
110.97575	0.5
111.70073	0.2
115.00371	0.7
121.02940	0.4
133.01434	1.0
133.02904	0.2
135.04536	0.5
137.02441	0.9
175.03984	0.4
177.05646	0.2
179.03448	0.3
179.22287	0.1
190.06354	0.3
213.09007	0.2
218.05482	0.2
233.15314	0.2
241.85411	0.2
251.07103	0.2
268.07391	0.2
269.08090	0.4
279.06546	0.3
294.08871	0.2
297.07538	1.5
298.08170	0.3
312.10007	1.0
313.10553	0.3
321.13443	0.4
327.12439	0.2
377.29053	1.7
437.09076	33.0
438.09427	3.8
438.15350	0.3
444.48853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86414	0.5
57.03432	2.0
58.00568	0.5
59.01378	100.0
60.01694	1.3
61.98827	7.5
68.99816	0.5
69.03450	1.1
70.51962	0.7
70.52326	1.5
71.01388	7.4
72.99289	1.0
73.02935	3.4
74.27141	0.4
75.00879	2.6
79.13083	0.5
79.95735	1.0
80.05925	0.5
83.01364	0.7
85.02956	4.7
87.00858	1.8
87.04514	12.5
89.02430	2.0
95.01356	0.7
96.96008	29.9
97.06570	0.8
99.00863	2.1
99.08151	1.2
101.02419	2.0
102.98583	0.8
109.06557	0.5
111.08162	1.1
113.02449	4.1
115.00354	2.2
120.99622	0.5
125.02429	1.6
127.11262	0.8
133.01385	2.3
133.02931	2.6
134.03696	1.6
135.04489	2.7
137.09698	3.0
139.07652	1.5
153.09183	2.2
153.12798	0.7
154.67397	0.5
155.10747	2.8
160.99944	0.5
161.04506	0.7
167.03525	1.3
173.11780	4.0
177.01869	2.5
178.02750	2.8
179.03392	1.3
182.73456	0.5
185.04546	0.8
185.11716	1.6
187.13396	0.6
191.05530	0.7
199.13374	1.0
201.14972	3.7
203.15353	0.6
205.07077	0.7
227.36510	0.6
229.14252	1.3
230.15169	2.7
249.06104	7.1
263.77475	0.6
267.07129	1.1
268.46838	0.5
273.07599	1.5
299.12869	0.7
309.08057	1.7
319.20300	0.6
333.19257	0.7
375.27478	64.3
376.27853	6.8
417.16922	1.0
435.11395	1.7
435.18387	7.1
435.22678	6.1
435.29614	1.1
436.18381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41780	0.4
57.03442	9.4
58.94288	0.4
59.01378	36.9
61.98825	7.1
68.48452	0.5
69.62135	2.8
71.01379	6.0
71.05017	0.6
72.99284	1.0
73.02944	16.9
74.03252	0.4
75.00867	13.6
83.01377	1.0
85.02949	6.6
86.03241	0.5
87.04511	58.5
88.04855	0.9
89.02447	0.7
92.42406	0.4
96.96008	3.1
99.00873	1.1
101.02426	2.6
103.04007	100.0
104.04366	1.3
105.03459	0.6
109.02962	0.6
113.02464	2.4
115.00343	1.4
130.05232	0.4
133.01427	2.0
133.02933	4.8
134.03734	1.9
135.04526	2.5
136.07669	1.0
137.02432	1.7
145.12349	0.9
152.08424	1.2
161.04561	0.8
161.11754	0.5
167.77719	0.4
177.01918	2.9
178.02690	4.7
179.03468	1.8
187.07767	0.6
187.17317	0.4
219.26724	0.5
275.13858	1.2
291.14563	0.6
299.13004	0.9
305.16071	0.8
307.17517	1.5
349.18546	0.6
393.21091	0.8
435.11136	1.2
435.24445	1.5
435.29706	11.8
436.30026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.1
59.01375	51.7
60.01683	0.5
61.98829	6.0
67.14783	0.5
68.72710	0.5
71.01376	9.2
71.51307	0.7
72.99303	1.0
73.02940	35.0
75.00868	15.6
80.96498	0.5
83.01395	0.9
85.02940	11.3
87.04509	100.0
88.04849	2.2
89.02441	1.1
93.03421	0.6
95.01376	1.1
96.95990	3.4
96.96542	0.5
99.00864	0.6
101.02438	2.8
101.47803	0.6
103.04007	66.3
104.04350	1.5
113.02448	3.2
115.00356	1.8
121.03073	0.6
133.01408	2.2
133.02957	4.6
134.03714	2.5
135.04581	2.9
137.02460	2.1
139.04071	0.9
152.08415	1.3
159.04472	0.6
161.04573	1.4
161.11890	0.8
161.13341	0.5
177.01923	3.7
178.02673	5.1
179.03441	2.1
191.05603	1.2
217.12398	0.7
275.13965	0.7
299.12924	1.6
305.16049	1.9
317.13907	0.7
347.17355	0.8
349.18814	0.8
435.11066	1.1
435.24112	2.1
435.29620	15.5
436.30032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13317	0.5
52.16085	0.5
59.01377	24.2
62.54219	0.5
71.01378	5.4
73.02949	0.6
80.02695	0.6
81.03444	1.1
83.01405	1.1
83.05025	21.9
84.02151	1.2
85.02962	1.2
85.91016	0.5
89.02441	3.4
101.02430	5.0
101.99252	0.5
107.04997	0.5
109.06574	3.2
113.02440	1.5
115.00368	1.3
119.03493	0.8
133.01422	2.1
135.08151	8.3
137.09688	3.3
157.39769	0.5
161.04546	1.8
163.07632	1.8
179.05571	0.7
181.08693	100.0
182.09012	3.7
183.32402	0.5
199.09740	13.1
212.08282	2.4
225.29134	0.5
240.06541	1.8
253.09296	18.4
254.09622	0.5
255.08853	30.5
256.09232	2.0
342.19897	0.5
354.85172	0.5
375.13055	1.3
405.50705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23793	0.3
59.01378	2.9
61.98825	0.8
71.01382	0.6
71.21233	0.6
72.99306	100.0
73.02923	0.3
73.99648	1.1
75.00867	2.2
78.82160	0.3
87.00872	5.1
96.96015	0.4
105.01932	56.0
106.02276	0.4
117.01960	1.8
133.01450	1.9
152.99455	0.3
161.00916	25.6
162.01222	0.8
208.44037	0.3
217.50038	0.3
252.49339	0.3
366.69370	0.3
435.20157	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	30.3
61.98832	4.7
62.44833	1.7
69.40124	12.5
71.01381	15.3
75.00878	2.8
85.02912	2.6
87.00882	5.3
89.02435	20.7
96.95994	3.4
99.04560	1.7
101.02436	9.6
113.02458	5.4
119.03471	8.0
133.01413	3.3
135.04506	5.7
136.01634	1.8
137.02534	1.6
143.03479	3.0
161.04614	2.2
164.01173	3.9
165.01900	25.6
179.01920	2.3
179.03485	43.2
179.05531	14.0
180.04263	30.8
181.04755	2.2
181.08757	2.1
194.05803	14.7
195.06604	100.0
196.06934	3.8
196.67561	2.0
357.11978	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	435.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98835	0.4
71.01379	1.5
71.28338	0.4
71.28667	0.3
72.99303	0.4
73.02946	0.6
79.95734	3.7
80.96513	2.4
83.01374	0.5
83.72938	0.3
85.02950	0.7
89.02411	0.2
95.95235	1.8
96.96006	89.2
97.02936	0.3
97.95924	0.4
101.02436	1.1
113.02434	0.3
119.57626	0.2
122.68639	0.3
122.97560	1.2
136.30856	0.3
138.97092	2.3
150.97083	1.3
164.98619	0.7
180.98134	1.3
198.99197	0.6
241.00259	3.1
320.87534	0.3
347.75262	0.3
400.91443	0.2
435.16885	100.0
436.17215	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71322	0.4
55.01882	0.4
57.03420	0.5
58.00565	0.4
59.01374	28.8
61.98819	1.1
70.67104	1.1
71.01374	6.4
72.99306	0.7
73.02937	1.0
74.43994	0.5
80.02655	1.1
81.03435	2.1
83.01371	1.1
83.05019	23.2
84.02153	1.5
84.05355	0.4
85.02945	1.5
86.00752	0.4
87.00878	1.7
89.02434	4.1
95.05010	1.0
96.95982	1.2
97.06560	0.6
99.00923	0.6
101.02435	4.5
107.05027	0.3
109.06592	3.7
113.02480	2.2
115.00336	1.9
119.03499	1.4
119.08597	0.4
125.02400	0.4
131.03581	0.5
132.03023	0.6
133.01414	3.0
135.04565	0.5
135.08144	7.1
137.09697	3.0
143.03563	0.5
161.04558	2.6
163.07631	1.4
179.05493	0.8
179.64691	0.4
181.08681	100.0
182.09009	4.6
184.08812	0.5
199.09731	13.6
200.10051	1.0
203.03516	0.5
212.08380	1.9
240.06512	0.6
253.09247	18.0
254.09630	0.6
255.08826	19.6
256.09146	1.2
263.05566	0.4
270.30875	0.5
319.21310	0.7
375.13068	0.8
435.09680	0.6
435.14636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18592	0.4
57.03432	0.6
58.00585	0.6
59.01376	28.7
61.98830	4.4
69.03450	0.6
70.79134	1.1
71.01378	8.9
71.04996	0.8
72.99284	1.1
73.02947	2.3
74.02480	0.7
80.02669	0.8
81.03452	2.0
83.01376	1.5
83.05024	21.8
84.02166	1.2
85.02948	2.1
87.00877	1.0
89.02436	4.7
93.03458	0.7
95.04978	0.6
96.00900	0.7
96.95999	3.0
97.02949	0.8
97.06580	0.9
99.00853	1.0
99.04506	2.2
101.02436	7.5
109.02917	0.5
109.06614	3.9
111.04510	0.7
113.02454	2.8
115.00360	2.3
115.03976	1.2
119.03491	1.9
119.08617	0.6
119.14851	0.4
125.02442	11.6
125.09710	0.8
133.01419	1.9
135.04572	0.5
135.08144	6.4
137.09705	3.2
143.03448	1.2
143.07127	1.4
145.01469	1.0
155.10768	1.4
161.04544	2.9
163.04047	0.8
163.07623	1.6
163.24812	0.5
166.12857	0.6
171.10239	2.8
179.03558	0.8
179.05531	0.9
181.08688	100.0
181.49483	0.5
182.09026	4.7
187.02477	5.9
191.05611	2.1
199.09741	25.0
200.10040	1.2
201.10236	1.0
213.11334	0.8
253.09253	17.9
254.09550	0.6
273.07880	0.6
319.13980	1.2
319.21213	1.7
337.09015	0.7
375.16510	0.8
400.14975	0.9
417.17838	0.9
435.14508	0.6
435.18738	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.8
61.98854	0.3
64.43777	0.3
68.54838	0.4
69.21545	1.0
69.21944	1.9
71.01385	2.0
73.02943	0.4
89.02448	0.8
96.96002	0.7
115.00381	0.8
133.01401	0.5
136.04074	0.7
136.07698	0.9
138.05624	0.7
155.10744	2.2
157.11317	0.5
199.09795	1.4
200.10127	0.7
201.10191	0.5
219.00122	0.4
255.11292	0.5
273.12552	1.3
317.11716	1.6
331.17746	0.6
373.18842	0.4
433.20975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.50814	0.2
59.01383	0.4
62.96395	0.2
68.42160	0.3
69.91593	1.2
78.95897	52.3
93.38451	0.2
96.96960	6.5
98.20538	0.3
109.41829	0.2
135.38080	0.3
150.97987	1.5
152.99573	100.0
153.99919	1.6
171.00635	4.5
228.08002	0.2
256.52563	0.2
279.23267	1.1
433.23557	9.5
434.23776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
59.29839	0.2
61.98824	0.8
64.86404	0.2
69.27859	0.8
69.28281	0.8
93.03468	0.3
93.51427	0.2
98.19916	0.3
109.39158	0.2
117.03460	15.9
118.03760	0.4
119.05020	25.8
120.05356	0.7
121.02940	1.9
123.04511	0.4
133.02895	0.4
135.04552	0.2
145.02943	100.0
146.03290	3.8
147.67474	0.2
163.04001	18.8
164.04311	0.7
260.64230	0.2
269.21225	1.8
285.20590	0.3
287.22244	8.2
288.22586	0.9
344.68884	0.2
350.05563	0.2
415.24701	0.8
433.25897	43.3
434.26291	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.97417	0.4
52.59135	0.5
59.01383	2.1
61.98831	1.3
70.19150	0.9
70.19543	1.0
71.01372	0.8
117.03461	16.5
119.05027	25.3
119.36476	0.4
120.05396	0.6
121.02930	1.7
123.04542	0.5
133.02960	0.8
134.03761	0.8
145.02950	100.0
146.03281	4.2
162.03275	0.4
163.04004	19.8
164.04359	0.6
166.12996	0.4
218.58099	0.4
269.21213	2.0
287.22290	8.8
288.22580	0.6
415.24649	0.5
433.25919	40.5
434.26355	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	435.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00980	0.1
59.01373	1.9
61.98824	1.5
64.69139	0.2
71.01382	0.7
71.52242	0.2
75.00860	0.5
79.95731	4.9
85.02946	0.2
96.96004	100.0
97.95928	0.2
105.03435	0.2
108.02148	0.3
108.08183	0.4
110.97587	0.3
113.02406	0.1
123.04565	0.2
133.01410	0.3
133.02939	1.6
134.03697	0.6
135.04509	0.5
137.02464	0.8
151.04033	0.2
152.07190	0.3
175.03952	0.2
176.04782	0.2
177.01904	1.2
178.02701	0.8
179.03485	0.2
187.04031	0.2
188.04745	0.8
189.05418	0.2
193.05399	0.2
242.07883	0.1
242.47063	0.2
245.01295	0.2
251.07401	0.1
262.95087	0.2
267.06613	0.7
295.06036	1.9
296.06769	0.4
307.05743	0.2
310.08469	1.2
311.09113	0.6
319.12869	0.3
325.10748	0.7
355.11752	0.6
435.07452	26.3
435.29837	0.6
436.07718	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05351	0.9
59.01371	5.9
61.98830	2.3
71.01378	2.7
71.50761	1.4
72.99305	11.6
75.00849	1.4
80.55557	1.0
81.07085	2.1
87.69872	0.9
88.98792	1.4
93.03427	1.2
96.68628	0.9
96.96004	14.5
96.96938	1.5
99.08136	3.9
101.06088	1.9
109.02914	2.0
113.02471	1.2
113.06076	2.1
115.07650	64.8
116.07965	2.3
124.09782	1.0
125.06020	1.4
129.05576	25.4
129.72784	1.1
137.02429	4.6
140.58197	1.1
143.07120	20.4
159.06606	3.0
169.03503	1.4
169.04781	1.5
205.07150	100.0
206.07472	3.3
227.05302	3.3
301.04004	1.2
333.40771	1.1
347.00748	1.1
357.10556	1.1
433.13382	7.9
433.18564	1.6
434.13541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66555	0.4
55.01862	0.5
59.01376	100.0
60.01715	1.5
60.45339	0.4
61.98826	1.7
63.95340	0.4
70.51850	1.3
71.01374	10.3
71.01731	0.8
72.99315	0.8
73.02944	7.7
78.97742	0.3
83.01396	1.7
85.02957	1.9
87.00885	0.6
89.02448	4.2
93.03518	0.5
95.01402	0.6
96.96009	0.9
101.02438	9.1
111.00869	0.6
113.02441	3.4
115.00385	1.8
119.03521	1.8
125.02445	2.2
131.03499	1.1
131.40721	0.4
133.01434	1.0
135.04527	0.5
141.71426	0.4
143.03485	0.9
149.04549	1.0
160.04115	0.7
161.04504	2.4
179.05644	1.0
189.33064	0.4
191.05589	0.7
193.52028	0.4
197.11902	0.6
209.11894	1.5
221.06686	0.4
273.17117	2.0
283.79364	0.4
317.16089	7.7
317.19754	1.8
331.17865	0.6
395.81827	0.4
433.15811	0.5
433.28351	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35940	0.4
59.01370	1.5
59.19520	0.4
61.98827	100.0
69.54774	2.6
78.95910	0.8
87.17686	0.4
87.41575	0.4
89.90667	0.4
98.20628	0.9
118.92307	0.4
152.99554	0.8
239.79514	0.4
269.14023	0.4
323.97604	0.5
435.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98826	100.0
68.20473	0.6
71.51105	0.7
82.15749	0.7
85.58958	0.6
100.80345	0.5
102.48497	0.6
113.67992	0.7
145.02957	1.6
146.03316	0.7
224.24634	0.6
347.04483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99894	0.2
59.01384	1.2
61.98828	100.0
69.48092	1.4
71.01374	1.7
73.02925	0.4
80.61488	0.3
85.02943	0.4
85.78870	0.2
87.00883	0.9
98.19930	0.5
101.02457	0.6
113.02449	0.5
114.14437	0.2
115.00381	2.8
133.01427	0.4
155.10808	1.1
156.11130	0.8
161.04614	0.2
175.02455	11.0
176.02802	0.5
199.09790	1.0
200.10139	0.8
236.77193	0.2
334.31662	0.2
338.87451	0.3
408.21964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79053	0.2
53.04326	0.2
59.01369	0.5
60.99298	0.4
67.34675	0.2
70.11700	0.9
71.01380	9.6
72.99287	1.6
81.76531	0.2
87.00867	0.6
88.98804	3.9
89.02439	1.4
89.99115	0.5
93.03452	0.3
107.05009	0.6
109.02971	0.2
112.28354	0.3
115.00365	27.2
116.00706	0.6
133.01421	100.0
134.01773	2.4
134.03740	1.2
135.04517	26.6
136.04852	0.9
137.02396	0.3
138.70164	0.3
160.04056	0.3
161.02467	0.3
172.14510	0.3
178.41069	0.3
179.03484	33.2
180.03850	1.6
295.04547	4.6
296.05023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74729	0.6
57.03447	1.1
59.01377	72.6
60.01720	1.4
60.61673	0.7
61.98829	100.0
67.44732	0.7
68.14241	0.6
69.37148	4.5
71.01382	22.2
72.01711	0.9
72.99326	1.6
73.02953	4.4
75.00903	0.6
83.01404	2.0
85.02962	2.9
87.00877	1.9
89.02438	15.0
91.07809	0.6
95.01384	0.9
97.06586	0.8
98.20728	1.1
101.02427	10.7
102.84000	0.7
104.91691	0.5
113.02459	5.4
115.00372	7.4
119.03516	6.1
122.43858	0.8
123.04512	0.7
125.02484	1.0
126.63469	0.6
129.01906	0.7
131.03548	1.4
133.01466	3.5
135.04558	1.8
137.02411	0.8
139.11269	0.6
143.03513	1.7
145.01477	0.8
149.04604	1.7
155.10750	7.6
156.11116	7.8
161.04543	3.5
165.00182	2.2
179.03429	1.3
179.05667	2.5
179.07101	0.9
191.05661	1.0
199.09741	7.4
200.10091	8.6
201.11342	3.2
209.11914	1.5
223.06198	0.7
253.14471	1.9
255.03055	1.1
271.02557	1.6
273.17252	0.9
300.02924	2.0
301.03641	1.5
316.11566	1.4
316.18594	1.6
317.19730	3.6
344.09583	1.6
433.20166	1.2
433.24985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01374	4.4
61.98823	2.9
64.89569	0.2
71.01374	11.5
71.51855	0.3
72.01700	0.3
73.02911	0.2
81.26339	0.2
85.02977	0.3
85.04987	0.2
85.82100	0.2
88.63201	0.2
96.44679	0.2
96.47733	0.3
115.00363	9.4
133.01379	0.5
134.03709	0.3
135.04462	0.3
137.09782	0.3
155.10757	2.3
176.55490	0.2
184.15564	0.3
199.09727	2.3
297.24283	1.1
301.18436	0.3
313.23874	1.6
315.25351	100.0
316.25699	9.6
316.28506	0.2
389.64740	0.2
431.26321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98828	100.0
62.62809	0.2
62.83712	0.2
69.56182	1.6
71.01379	3.0
72.00890	0.2
73.02946	0.3
85.02958	0.4
87.00891	1.1
88.98815	0.6
89.02459	0.3
93.03476	0.4
96.96016	0.2
101.02441	0.4
113.02486	0.4
115.00375	5.0
116.00721	0.4
121.09638	0.3
133.01447	0.9
135.04559	0.3
137.02443	0.6
137.09802	0.3
138.02820	0.3
155.10796	4.1
156.11072	3.1
161.04581	0.3
175.02461	9.2
176.02872	0.4
177.07455	0.3
180.03784	0.2
183.52614	0.2
199.09761	5.0
200.10075	4.4
316.11285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Buclizine
Peak:m/z	Relative Intensity
51.26887	0.4
55.01888	0.5
56.97525	0.3
57.03447	2.0
57.39215	0.3
58.00578	0.7
58.34616	0.3
59.01380	30.1
61.98827	3.9
69.03469	1.2
71.01381	18.7
71.05038	0.5
71.44028	0.5
72.99323	1.5
73.02938	4.0
75.00914	0.4
79.95740	0.4
81.03495	0.4
83.01392	2.9
85.02945	5.8
85.03393	0.5
86.00104	0.4
87.00867	3.6
88.98828	0.5
89.02441	1.9
95.01437	1.1
95.95269	0.4
96.96004	2.0
97.02982	1.3
99.00898	1.5
101.02434	5.9
101.03018	0.4
111.00890	0.5
112.01723	0.7
113.02454	3.9
113.58191	0.3
115.00345	2.1
123.00888	0.3
124.01701	1.3
125.02414	1.9
133.01471	0.8
135.04617	0.5
143.03513	0.9
155.10757	4.1
174.79485	0.3
179.03500	0.4
181.16013	1.3
199.09743	4.0
200.10162	0.4
209.15511	2.1
227.16513	22.9
227.95709	0.4
228.16837	1.7
239.16441	0.9
241.00253	0.5
241.18108	0.7
253.18089	0.7
269.17624	1.1
315.10941	0.8
315.18152	2.6
315.21524	0.6
329.05646	0.6
353.19678	0.5
364.96805	0.3
371.20737	18.1
372.20728	1.6
389.21796	44.5
390.22180	5.2
431.22800	100.0
432.23157	12.0
454.22400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01368	2.8
60.69401	0.2
61.98835	2.6
70.37277	0.7
71.01376	12.0
74.06059	0.3
115.00363	8.1
116.00652	0.3
133.01450	0.4
134.03694	0.4
135.04492	0.6
155.10793	1.9
187.07584	0.2
199.09708	1.9
274.08615	0.3
297.24243	1.7
313.23846	1.7
315.25351	100.0
316.25699	9.6
431.26416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.21564	0.2
52.35883	0.2
59.01365	0.6
61.98819	0.3
64.36617	0.2
66.24504	0.2
78.95896	56.9
96.96958	6.5
98.20707	0.3
121.97775	0.2
140.84810	0.2
150.98051	1.4
152.99570	100.0
153.99931	1.7
155.10664	0.5
171.00635	4.3
199.09714	0.5
249.69615	0.2
277.21545	0.7
431.21970	8.1
432.22263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39189	0.3
55.50349	0.3
59.01373	0.9
61.98830	0.6
62.96394	0.3
69.32007	2.1
76.50166	0.3
78.95899	68.7
85.77283	0.3
96.96951	5.0
117.01177	0.3
150.98007	1.4
152.99571	100.0
153.99927	1.2
155.10715	1.2
171.00655	2.8
199.09744	0.9
277.21713	1.1
431.21964	14.5
432.22366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31412	0.6
54.40266	0.5
56.85952	0.5
59.01382	1.2
69.43420	4.3
71.01377	19.8
72.01746	0.5
73.02947	1.9
89.02416	0.5
97.59210	0.7
98.19913	1.1
101.02451	1.0
102.22839	0.6
115.00367	18.9
133.01436	1.6
137.09741	6.0
155.10770	96.1
156.11118	4.4
199.09741	100.0
200.10069	4.8
269.17410	0.5
315.10834	15.7
317.81769	0.6
347.65033	0.7
378.62335	0.6
431.11813	3.1
431.22842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68053	0.6
51.26129	0.6
56.98464	0.6
57.03432	2.3
59.01376	15.4
59.76173	0.7
61.98826	17.4
71.01378	22.2
71.51890	1.1
72.99297	1.1
81.03448	15.8
83.05022	100.0
84.05345	2.9
87.00846	2.0
96.96002	2.9
101.06077	11.4
105.15172	0.7
111.04520	2.6
111.08153	2.0
115.00362	16.5
115.06828	1.5
115.07648	32.4
116.07979	0.9
116.48914	0.8
120.99668	1.8
127.04010	7.3
133.01431	3.5
135.04480	1.8
137.06111	1.5
137.09711	1.8
141.09198	1.1
143.10886	0.8
145.05067	27.3
155.07130	6.8
155.10751	8.5
157.08675	0.8
158.03796	1.0
162.03264	0.8
173.02403	1.1
173.08197	6.5
173.69621	0.8
179.03569	1.3
187.07602	1.0
191.14481	1.9
199.09744	16.0
199.13335	1.6
201.09222	0.8
209.15439	7.7
214.06313	0.8
215.07074	1.3
223.94350	0.7
229.08667	1.0
230.09544	1.1
253.14426	16.6
254.14769	1.7
271.15479	39.1
272.15811	2.9
315.18100	52.0
316.18530	4.3
385.45972	0.8
389.15918	1.0
431.13724	2.5
431.20395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14440	1.0
59.01377	5.1
61.01801	0.9
61.98830	100.0
96.96029	1.2
99.92605	1.2
101.22252	1.1
101.84422	0.9
155.10831	2.4
199.09825	2.5
292.96106	1.1
431.33374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42762	0.8
59.01362	1.0
60.99305	13.9
70.32220	0.7
71.01377	2.8
71.49954	0.7
75.86769	0.7
80.45956	0.7
88.98801	100.0
89.02450	3.7
96.95980	1.0
115.00381	5.3
133.01436	18.9
135.04547	4.5
135.05424	0.7
138.06796	0.7
179.03473	6.6
191.05640	1.5
216.99020	2.1
221.58101	0.8
295.04700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
69.79905	2.6
71.01375	17.3
73.02946	1.3
86.97324	0.4
115.00362	18.3
116.00740	0.5
116.25137	0.4
133.01434	1.5
135.08134	0.8
137.09724	5.8
155.10770	97.2
156.11095	3.9
165.35106	0.5
199.09737	100.0
200.10114	4.8
277.68909	0.5
302.68091	0.5
315.10803	14.7
316.11127	1.2
431.11664	3.5
454.17911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
65.30741	0.4
67.24285	0.4
69.56033	2.5
69.56412	0.8
71.01377	14.8
73.02956	1.1
96.99308	0.4
99.89418	0.3
103.55566	0.4
115.00365	20.2
128.29083	0.4
133.01456	1.5
137.09697	3.9
155.10770	90.1
156.11095	4.8
199.09738	100.0
200.10071	5.8
259.25049	0.4
315.10831	13.2
316.11194	1.1
317.99286	0.4
327.95291	0.4
374.63849	0.4
425.08563	0.4
431.11923	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	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
61.98825	100.0
71.01363	3.3
72.81950	0.5
97.06535	0.5
98.20663	1.7
111.66348	0.6
115.00394	1.5
125.09753	1.9
155.10803	2.2
176.02193	0.5
187.09782	2.3
194.64125	0.5
199.09790	1.8
215.07158	0.6
296.09033	0.5
314.24115	0.6
321.51282	0.7
354.75943	0.5
431.23172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51429	1.0
59.01368	4.4
61.98829	100.0
70.59191	2.0
70.59527	1.2
93.33842	0.9
108.94740	1.2
115.16550	0.9
117.03479	2.6
119.05018	2.7
145.02922	13.0
155.10861	1.4
163.03955	3.4
208.41223	0.9
346.45166	1.0
431.24545	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	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35997	0.9
54.68431	1.0
57.79361	1.0
59.01359	2.8
61.98826	100.0
69.97347	3.9
98.20692	1.1
99.42616	0.9
124.00446	0.9
124.11485	0.9
124.34946	0.9
155.10747	2.9
199.09651	2.7
231.33441	1.0
437.43820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
59.39473	1.5
61.98829	100.0
98.20663	6.5
108.90891	1.8
112.40083	1.5
155.10768	2.8
199.09702	3.5
226.87318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01726	0.8
61.98822	1.5
91.03997	2.2
96.51978	0.4
97.99774	0.4
113.23821	0.5
115.09832	0.4
134.11095	0.5
195.14027	0.6
204.19116	0.5
230.12024	0.8
242.64986	0.5
277.21628	1.0
295.22723	11.4
296.23065	0.7
322.57458	0.5
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
50.37081	0.4
59.01376	100.0
60.01721	1.0
61.98825	1.9
63.14154	0.4
69.23855	3.8
69.24267	0.7
69.99905	0.4
71.01385	3.7
73.02942	0.8
76.33415	0.4
89.02427	0.4
96.47856	0.4
101.02454	0.9
113.02469	0.8
115.00389	1.1
116.90636	0.4
119.05003	0.6
120.99683	1.1
133.01454	1.0
133.02916	2.4
134.03699	0.6
135.04536	0.7
195.48567	0.4
201.11110	0.5
213.09341	0.5
231.10349	0.5
275.09232	2.0
313.16534	0.5
313.20352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.0
60.33580	0.4
61.98828	0.5
69.03738	0.4
69.47221	2.3
70.14703	0.3
70.61378	0.3
91.03998	2.2
98.20645	0.4
134.04193	0.3
136.89676	0.4
157.18018	0.4
171.35988	0.3
178.55812	0.3
195.13936	1.2
268.07156	0.3
277.21793	1.1
295.22757	13.7
296.23105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01874	1.1
57.03451	1.5
58.00597	0.9
59.01378	39.9
60.01705	0.4
61.98835	0.6
68.07978	0.3
69.03455	1.2
71.01378	24.5
71.05018	0.6
71.51718	0.5
72.01701	0.4
72.99310	1.4
73.02943	11.5
79.01883	0.3
81.03482	0.4
83.01379	4.6
85.02950	7.7
86.00096	0.7
86.03300	0.4
86.33118	0.3
87.00877	3.7
87.04516	0.3
89.02444	4.1
95.01396	1.5
96.96013	1.0
97.02946	1.1
99.00895	2.4
101.02438	12.4
111.00887	0.4
112.01685	0.3
113.02449	5.6
115.00393	0.8
116.19766	0.3
119.03499	1.3
121.10236	0.3
123.04276	0.3
124.01664	0.9
125.02438	1.5
130.08714	0.7
133.01401	0.7
133.02972	0.3
135.04482	0.5
143.03470	1.2
149.09729	0.4
161.04533	0.7
163.14890	0.4
167.10776	0.4
199.28815	0.3
207.13885	4.8
225.14944	9.2
226.15291	0.6
246.95929	0.3
266.05594	0.3
267.16061	0.4
369.19131	15.3
370.19431	1.6
387.20200	32.0
388.20636	3.2
429.21243	100.0
430.21619	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	429.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48373	0.9
59.01377	11.5
61.98820	3.4
69.38888	2.1
69.39303	4.5
71.01380	14.5
72.99281	2.2
75.00866	2.0
80.96579	1.0
85.02949	1.4
87.00871	21.1
87.05653	1.5
88.98815	1.0
89.02412	2.8
96.95998	1.8
98.20670	1.7
99.00882	1.2
109.02953	0.9
114.05638	1.0
115.00368	43.9
119.03394	0.9
128.03563	2.5
133.01431	13.5
133.02960	2.7
134.03679	1.4
135.02997	1.3
135.04539	5.6
142.99843	1.3
146.04570	1.3
153.09154	1.0
161.02536	1.4
175.02464	100.0
176.02808	2.6
177.01967	1.2
179.03474	4.9
180.70412	0.9
193.05055	5.8
212.68893	0.9
343.17477	1.1
372.55612	1.0
429.14282	1.5
429.23230	3.0
439.30045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20051	0.1
59.01362	0.1
69.90768	0.4
98.20024	0.2
99.92580	5.6
100.93356	7.1
101.93372	0.3
113.92585	0.2
115.92072	100.0
116.92083	4.9
116.92863	6.8
117.92574	0.2
132.92297	0.9
135.89148	0.1
142.94394	0.4
155.95203	0.2
171.94704	0.2
172.95453	5.5
177.02928	0.1
255.23317	0.9
355.15878	0.7
356.16214	0.1
371.15280	0.3
381.17404	0.9
382.17667	0.2
387.68652	0.1
411.18228	0.2
429.19443	5.8
430.19513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
59.01109	0.8
59.01378	8.9
61.98833	1.6
69.45776	3.4
71.01376	13.7
71.05028	3.5
72.04533	0.5
72.99291	0.8
73.02948	1.5
85.06583	5.8
89.02457	0.8
96.96008	10.6
97.06601	1.6
99.00877	16.6
99.08177	1.5
100.01228	0.5
109.06621	2.4
111.04520	23.2
111.08154	1.0
112.04845	1.0
113.06079	0.7
113.09732	0.5
114.09256	5.3
115.00370	10.0
115.06838	0.8
115.07641	15.1
127.07654	21.9
127.11307	0.5
128.10826	4.0
129.05582	6.9
133.01436	7.2
134.03772	0.6
135.04477	1.0
138.09247	1.4
140.10825	3.3
143.10754	1.1
152.10796	0.6
153.05557	0.5
153.12865	0.6
155.10771	1.7
156.10289	48.8
157.08656	1.2
157.10628	1.9
158.11855	81.3
159.12166	3.1
171.06627	7.7
172.06902	0.6
182.15501	1.1
185.11806	0.7
187.07788	0.5
188.07906	0.7
191.05585	0.8
196.09779	4.2
200.12860	0.6
201.87627	0.6
202.06226	0.7
212.16527	3.0
212.47151	0.6
214.10825	4.2
231.10326	0.7
232.10576	1.1
250.18063	1.8
254.62079	0.6
294.17191	0.6
312.18146	100.0
313.18530	8.1
384.21759	0.6
385.52130	0.5
428.17368	3.1
428.21719	0.6
428.26764	5.0
429.17841	10.1
429.26514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05687	0.2
51.06806	0.2
55.39716	0.2
59.01372	1.5
60.84139	0.2
61.98828	100.0
64.38727	0.3
69.50078	1.8
71.01389	0.9
85.43873	0.2
91.98249	0.2
135.04678	0.3
156.77797	0.2
182.22057	0.3
313.23935	0.4
343.38229	0.2
429.19766	0.3
433.11453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86172	0.6
55.01868	1.4
59.01364	4.6
61.98827	2.1
69.11658	0.6
71.01376	18.8
71.05015	2.4
71.52074	0.7
72.99303	0.8
73.02946	1.7
83.05045	0.9
85.02972	0.6
85.06583	5.0
89.02420	0.7
92.50607	0.6
96.95991	3.1
99.00875	38.7
99.08148	0.9
101.02480	0.9
102.98565	0.7
106.51045	0.6
108.08212	1.3
109.06590	1.7
111.04514	8.9
111.08153	2.1
114.09240	10.5
115.00366	14.0
115.07643	100.0
116.07949	3.1
122.09748	2.5
127.07643	3.6
127.11260	2.3
128.10811	1.5
129.05565	12.1
133.01422	10.3
134.09798	0.7
135.04512	1.1
138.09290	0.8
138.14105	0.7
140.10806	2.9
152.10799	1.5
153.05588	1.0
153.09189	0.8
154.77728	0.6
156.10281	20.6
157.10582	1.5
158.08263	2.9
158.11848	27.2
159.12209	1.1
171.06618	11.8
171.10236	5.3
187.07610	1.7
188.08002	1.1
191.05663	0.7
196.09767	13.4
197.08173	1.2
202.06313	0.9
206.15511	0.9
214.10832	18.3
231.10197	1.2
232.10577	2.0
237.32854	0.6
250.18089	2.2
264.16092	0.7
275.09348	1.1
276.09827	0.7
294.17068	1.0
312.18137	65.0
313.18420	5.3
324.50473	0.6
350.04694	0.7
421.44501	0.7
428.14764	0.9
429.09250	0.7
429.18259	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06858	0.3
59.01377	100.0
60.01719	0.8
61.98825	0.9
63.36583	0.3
63.95057	0.3
69.47444	0.6
69.47852	1.4
71.01380	2.6
71.80447	0.4
72.99314	0.8
80.86883	0.3
89.02479	0.8
91.04002	3.2
103.88536	0.3
104.25080	0.3
115.00385	1.4
125.09783	0.4
127.97746	0.3
133.01427	0.4
145.86838	0.3
162.88928	0.3
164.26549	0.3
171.10245	0.6
195.13916	0.5
205.12259	0.3
217.29747	0.3
223.13454	0.4
275.20209	1.7
293.21198	12.6
294.21643	0.7
309.91541	0.3
311.22250	12.5
312.22736	1.3
402.34216	0.3
421.49719	0.4
424.05814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	0.6
61.98823	1.6
69.52569	0.6
69.71062	0.9
69.71472	2.0
71.01373	4.8
72.99333	1.1
79.63782	0.4
84.98797	0.5
88.02080	0.6
91.04015	2.1
98.20692	0.6
115.00360	0.6
142.41975	0.6
153.12810	0.7
181.12376	1.5
275.20303	1.3
293.21216	13.8
294.21634	1.1
309.20844	0.6
311.22250	19.1
312.22711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77201	0.8
59.01377	100.0
60.01721	1.4
61.98817	3.4
64.90706	0.8
69.34466	1.1
71.01380	19.7
71.06289	1.4
71.06608	0.9
72.99306	5.5
87.00863	0.8
91.04012	1.8
96.36591	0.8
97.29598	0.8
97.57824	0.7
110.93568	0.9
115.00359	3.9
122.02348	0.9
129.09209	1.3
133.01392	1.5
134.03764	1.0
153.12837	2.0
169.12299	0.8
171.10255	1.0
181.12282	6.5
197.11803	1.0
203.93390	1.0
265.21768	1.0
267.23343	1.1
275.20151	3.0
293.21228	14.9
294.21576	1.5
302.17697	0.9
311.22253	85.9
312.22705	7.0
321.24396	1.2
409.22342	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69220	1.0
59.01376	100.0
71.51811	1.3
122.73660	0.9
144.65651	1.0
293.21265	6.0
333.92975	0.9
378.15875	1.0
439.82870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70875	1.6
54.14319	1.7
55.59925	1.7
57.67596	1.7
59.01376	100.0
60.51263	1.6
61.98829	3.3
82.99981	1.8
86.54005	1.8
89.94462	1.6
98.20785	3.7
118.25784	1.8
160.07214	1.7
164.99345	1.7
236.75076	1.6
293.21259	8.0
304.83643	1.7
311.11111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77201	0.8
59.01377	100.0
60.01721	1.4
61.98817	3.4
64.90706	0.8
69.34466	1.1
71.01380	19.7
71.06289	1.4
71.06608	0.9
72.99306	5.5
87.00863	0.8
91.04012	1.8
96.36591	0.8
97.29598	0.8
97.57824	0.7
110.93568	0.9
115.00359	3.9
122.02348	0.9
129.09209	1.3
133.01392	1.5
134.03764	1.0
153.12837	2.0
169.12299	0.8
171.10255	1.0
181.12282	6.5
197.11803	1.0
203.93390	1.0
265.21768	1.0
267.23343	1.1
275.20151	3.0
293.21228	14.9
294.21576	1.5
302.17697	0.9
311.22253	85.9
312.22705	7.0
321.24396	1.2
409.22342	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15467	1.0
59.01372	17.5
61.98811	3.4
64.98372	1.1
69.03418	1.5
70.90748	1.0
71.01379	20.3
71.05013	1.5
71.51821	1.3
80.02682	1.5
84.02158	1.2
84.09071	1.1
85.02964	2.4
89.02435	9.6
93.07099	2.4
96.96001	1.4
97.02953	1.2
99.00841	1.1
101.02433	3.4
103.81180	0.9
112.93649	1.0
113.02424	3.1
114.61011	1.0
115.00390	2.1
119.03471	2.9
121.02908	1.0
121.06603	13.5
125.09695	8.3
133.01404	1.1
133.56300	1.2
134.03734	1.7
135.08151	1.9
137.09657	2.8
137.63733	1.0
139.07642	100.0
140.07956	4.0
153.09209	37.9
153.10495	1.3
154.09572	1.8
163.07555	2.7
179.05588	1.2
181.08662	14.0
209.15543	1.0
211.09564	1.3
226.05190	1.0
227.92303	1.1
235.09695	1.1
250.50084	1.0
291.19800	1.6
309.20557	2.7
311.22156	3.3
401.67310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03443	0.6
58.00577	0.9
59.01375	100.0
60.01720	0.9
61.98827	0.9
69.03458	1.5
70.22090	0.9
70.22417	0.9
71.01374	34.1
71.05029	2.6
71.05365	0.5
72.99301	1.6
73.02941	63.4
74.03281	0.8
75.00874	0.8
81.03467	0.6
83.01380	16.2
85.02946	3.5
87.00882	1.1
89.02438	6.1
93.34407	0.4
95.01385	0.8
96.96017	1.7
97.02944	0.9
98.74622	0.5
98.95584	0.5
99.00879	0.8
101.02435	44.3
102.02802	1.3
107.08672	2.1
111.56696	0.5
113.02441	8.7
115.00397	1.2
115.01408	0.4
119.03500	2.7
125.02447	1.6
131.03487	2.2
133.01454	0.8
133.10233	0.7
134.03754	1.3
135.04488	1.5
143.03461	2.9
148.05292	2.5
149.04572	2.7
155.03506	2.0
159.11734	0.8
161.04530	6.6
161.13339	9.2
163.07602	3.3
179.03439	0.7
185.11797	0.7
202.06465	0.8
203.05692	0.9
205.12306	33.1
206.12683	1.7
221.06584	1.1
223.13438	0.8
231.10191	2.5
238.57536	0.5
275.09256	0.8
296.71942	0.5
311.11234	0.6
353.50394	0.5
366.69031	0.5
367.17545	2.0
385.18652	5.3
386.18826	0.8
393.40967	0.5
427.15237	2.0
427.19693	52.1
428.20013	6.8
428.26462	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	425.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.0
61.98804	2.3
67.15514	0.8
69.37941	3.6
69.38365	3.0
71.01378	23.4
72.99306	7.5
91.17283	0.9
96.96001	2.5
97.06574	1.2
115.00360	13.7
124.29570	0.9
125.09664	2.7
133.01433	7.1
153.09293	1.0
155.10663	0.9
166.29337	0.8
171.10306	1.9
197.57805	0.9
199.09724	3.9
200.10513	2.0
201.11308	2.3
201.95467	0.9
206.86911	0.9
209.11888	0.9
247.20599	2.5
273.18674	1.2
281.21268	1.5
291.19629	7.6
309.20685	100.0
310.20978	9.8
407.20514	4.4
425.17932	1.2
425.29099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	1.4
61.98825	2.4
66.97243	1.0
70.58923	1.0
71.01380	11.1
71.17953	1.8
71.91692	1.1
72.99277	2.1
74.72588	1.0
77.04036	0.9
86.62894	1.0
96.95988	1.1
115.00367	2.5
160.25414	1.0
197.11812	2.3
226.53780	1.2
228.13512	1.2
247.20790	1.9
278.58759	1.4
291.19617	13.6
309.20679	46.3
309.24252	2.4
310.20996	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32393	0.4
50.83792	0.5
59.01378	100.0
60.01729	0.9
61.98826	1.6
69.17286	0.5
71.00782	0.6
71.01385	8.4
71.21903	0.6
72.99314	1.4
91.16235	0.5
96.96030	0.7
115.00365	3.5
118.72070	0.5
132.91806	0.6
133.01396	2.8
136.51703	0.5
143.25082	0.6
151.16917	0.5
183.31746	0.6
213.11296	0.8
247.20726	0.6
273.18533	0.6
273.21844	0.5
291.19653	6.9
292.20126	0.8
303.46936	0.6
309.20700	30.4
310.20889	2.4
391.48700	0.6
425.22922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11187	0.4
59.01379	18.6
60.01677	0.4
61.98828	100.0
69.20408	2.7
69.20819	0.7
70.54377	0.4
71.01392	2.4
73.02943	0.6
77.62376	0.4
89.02467	0.4
93.03489	0.5
98.19850	0.7
101.02447	1.0
104.90981	0.4
113.02428	0.8
115.00365	0.4
133.02953	0.7
134.03716	0.7
135.04507	0.7
139.87971	0.5
179.03493	0.6
212.20975	0.4
238.91116	0.3
275.09204	1.2
277.16495	2.2
319.17761	0.7
400.03107	0.4
400.87366	0.4
435.47458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.2
66.01074	0.4
69.90331	1.8
70.67017	0.3
71.01372	7.5
71.05012	0.4
72.99300	1.7
73.02940	1.1
79.95749	2.0
80.84668	0.3
80.96526	1.6
83.01376	0.4
85.02947	0.9
95.95197	0.5
96.96006	74.7
97.06569	0.6
97.95964	0.4
101.02439	1.0
108.02174	0.6
109.02951	9.1
113.02421	0.5
115.00370	4.5
122.97582	1.2
122.99468	0.3
133.01398	2.7
134.03731	22.9
135.04538	5.0
136.01657	5.5
137.02463	3.2
138.97060	1.7
143.10738	0.6
150.97075	1.3
151.03987	4.8
155.10756	1.0
157.08733	0.8
164.98615	0.8
178.02747	0.8
180.98094	1.1
185.11809	0.6
187.07645	0.5
195.02974	2.0
198.99141	0.6
200.12943	0.8
231.10242	6.6
232.10562	0.6
233.08145	0.9
241.00208	3.5
281.10223	0.4
293.10324	3.3
311.11331	17.5
312.11713	1.3
427.16354	100.0
428.10883	0.5
428.16675	10.4
428.26086	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35152	0.9
52.97148	1.0
55.01867	1.4
57.03429	2.1
59.01377	100.0
61.98829	2.5
62.64502	0.9
66.59325	0.9
69.03439	1.2
70.52867	3.1
71.01011	1.5
71.01379	19.4
72.99273	1.8
73.02944	8.1
83.01373	1.5
85.02959	4.7
86.00072	1.2
87.00847	1.5
89.02425	1.4
93.03446	3.5
95.05021	42.9
95.48663	0.9
96.05370	1.1
96.96016	1.5
99.03445	0.9
101.02414	1.4
112.01623	1.3
113.02436	1.7
115.00369	2.1
115.92058	1.0
125.09565	0.9
133.01468	4.5
135.04477	1.2
138.84261	0.8
181.12239	1.1
205.08592	1.0
232.94267	1.0
233.15479	4.8
235.16966	2.0
247.09755	1.1
251.16484	3.3
275.79288	1.0
277.17896	1.1
279.24814	1.0
305.17529	1.6
309.20593	2.9
323.18530	2.6
347.18701	2.3
355.17499	0.9
365.19656	28.1
366.19888	3.5
383.87473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.2
60.45914	0.8
61.98813	2.1
71.01379	39.2
71.51724	1.5
71.52101	1.4
72.99307	2.7
96.96021	5.2
109.06571	1.4
111.08162	10.8
115.00368	16.5
115.92006	1.4
116.92828	1.4
127.07588	1.1
133.01402	2.5
151.11220	1.2
160.12390	1.0
169.12328	4.9
171.10208	2.0
180.72014	0.9
183.12105	1.0
183.13731	1.0
193.08368	2.0
197.11801	46.1
198.12140	2.7
199.13390	2.7
203.01379	1.1
204.63257	1.0
211.13347	5.6
247.20529	1.8
263.20087	3.0
264.81812	1.1
273.18491	1.1
291.19650	25.3
292.19965	2.8
309.20682	100.0
310.21091	8.6
325.20160	2.2
327.49136	1.0
425.18103	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	425.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47215	1.7
59.01376	100.0
61.98828	9.7
71.01385	17.7
73.02937	5.3
74.53941	1.7
78.95917	2.9
80.96541	2.1
83.04987	2.5
85.02946	3.0
87.00903	2.5
89.02438	2.3
95.05014	17.8
96.96001	20.8
96.96944	5.1
104.06288	1.9
110.83015	2.1
114.14394	2.0
115.00352	6.3
116.92773	3.1
131.60857	2.0
133.01402	5.7
133.02936	3.4
135.04504	2.3
136.55301	1.9
178.02676	3.0
178.16805	2.3
203.07080	3.8
209.15408	3.8
232.07324	3.6
269.07224	2.2
286.74637	2.1
291.19717	4.9
309.20566	14.7
323.18375	9.6
365.19479	4.0
425.14594	2.0
425.17374	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89633	0.6
59.01369	2.7
61.98820	3.7
69.03442	0.9
69.36348	4.5
70.92052	0.7
71.01379	51.0
77.83269	0.7
78.99683	0.7
96.95983	4.3
111.08159	17.6
112.08492	0.7
113.83600	0.7
115.00369	18.6
116.00695	1.0
127.00603	0.7
127.07669	0.8
133.01425	2.8
152.21098	0.7
153.09148	0.8
153.12912	0.9
165.12825	0.6
167.10585	0.8
169.12325	5.3
175.08591	0.7
180.66505	0.6
181.12378	1.0
183.13799	0.7
184.51370	0.6
197.11821	73.5
198.10612	0.9
198.12160	3.8
199.13380	2.5
211.13423	5.6
227.12846	1.9
245.16524	0.7
247.20557	1.1
258.10696	0.7
263.20111	2.9
265.18015	2.3
273.18680	1.4
291.09055	0.7
291.19666	15.1
292.19922	1.4
307.22528	0.8
309.20685	100.0
310.21036	10.6
378.65549	0.9
425.18250	6.9
434.32846	0.7
435.36917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.1
61.98814	2.8
66.86974	0.8
70.98946	1.2
71.01379	22.6
72.99311	6.4
75.85132	0.9
87.60322	0.9
87.62606	0.8
111.08129	1.8
113.26135	0.8
115.00352	3.8
127.11254	1.0
133.01456	0.8
136.01581	0.9
153.12856	3.2
165.12735	1.0
167.10796	1.5
169.12389	1.2
181.12306	2.9
197.11801	2.1
207.13919	1.1
211.13295	1.4
227.12875	1.4
228.13499	0.9
247.20680	3.1
273.18469	1.6
281.21164	1.3
291.19662	20.3
292.19827	1.5
309.20691	100.0
310.21103	8.4
390.24750	0.9
407.20584	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
65.26687	0.5
68.34081	0.5
70.35822	1.9
71.01376	0.7
81.07092	0.8
95.05019	0.9
96.96033	1.1
113.06096	3.3
115.00323	1.0
118.25698	0.5
125.06064	3.0
133.01355	1.2
135.01807	0.6
139.04002	5.9
141.05595	0.6
143.07127	42.9
144.07474	2.0
169.05048	57.3
170.05382	2.5
187.06097	100.0
188.06444	4.1
203.07056	0.6
343.84369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83538	0.3
59.01371	3.7
61.98830	3.3
65.03962	0.7
71.01032	0.4
71.01362	2.1
71.52293	0.4
72.01710	0.3
73.02956	0.8
85.02892	0.3
93.03452	58.9
94.03782	1.7
96.96008	0.9
101.02413	0.4
105.97502	0.3
109.02906	0.4
115.00364	1.1
133.01430	1.1
133.02974	0.7
134.03683	0.5
135.04504	0.6
137.02435	100.0
138.02771	3.4
175.07629	0.3
177.01917	0.6
232.07246	0.4
248.10399	0.3
309.09875	0.6
309.17169	0.4
342.12704	0.4
363.37479	0.3
383.45654	0.3
389.15811	0.4
397.44156	0.3
407.16934	0.5
425.13818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82309	0.2
52.06604	0.3
59.01373	4.5
61.74574	0.3
61.98825	2.9
63.61139	0.3
69.67165	1.2
71.01376	2.9
72.99268	0.3
73.02944	0.7
79.95730	3.6
80.96511	1.1
85.02926	0.5
89.02463	0.5
95.64722	0.2
95.95235	3.4
96.73289	0.3
96.96004	51.9
101.02431	1.0
108.02189	0.4
109.02956	3.8
115.00353	1.7
121.02930	0.5
122.97569	0.8
124.68958	0.3
125.02434	0.7
133.01407	2.7
133.02940	0.4
135.04507	0.9
138.97067	1.0
149.02426	0.6
150.03227	1.0
150.97072	1.5
151.04008	1.5
164.98607	0.5
165.12836	0.3
166.98857	0.2
167.03581	0.3
177.01913	0.3
178.73265	0.3
180.98082	1.1
195.03011	0.7
225.00798	1.3
229.08743	0.3
233.10838	0.3
241.00191	4.6
256.99677	0.4
291.08743	0.4
309.09717	0.6
345.16898	0.3
425.14813	100.0
426.15100	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21028	0.4
68.92213	0.4
70.08102	1.3
78.95900	12.5
87.57253	0.4
104.97481	0.9
110.98529	9.3
152.99570	0.4
166.99750	0.6
167.01154	10.9
172.63031	0.4
185.02188	2.3
236.27420	0.4
255.23273	100.0
256.23608	9.0
423.25156	22.7
424.25574	2.5
434.41907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2749
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
59.01382	1.2
61.98826	1.7
62.75045	0.2
67.21913	0.2
69.03453	1.0
71.01369	1.3
71.05013	0.2
71.52457	0.2
72.99290	0.5
80.05564	0.2
83.05022	0.2
89.02418	0.2
95.05025	1.0
96.95992	0.7
97.06616	0.2
102.75187	0.2
108.99931	0.2
115.00362	0.7
121.02898	0.2
129.87207	0.2
133.01411	0.5
134.03714	0.4
135.04514	0.5
147.00932	0.3
149.02420	0.2
153.09135	0.2
154.76642	0.2
165.01859	0.2
177.12808	0.2
178.02606	0.3
179.03505	0.4
189.84593	0.2
207.13875	0.3
217.15933	0.2
221.15399	0.4
237.18524	0.4
245.15225	0.2
252.07607	0.2
275.20172	0.6
285.22330	0.2
287.19702	0.2
307.12158	0.2
311.23856	0.4
315.23557	0.3
329.24789	1.1
331.25970	0.2
339.23453	0.2
341.24762	0.6
349.27499	0.3
357.24362	0.7
359.25848	4.3
360.26126	0.5
377.26984	1.6
423.27469	100.0
424.27820	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	424.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42793	0.2
59.01374	0.8
61.98826	100.0
65.54295	0.2
69.37247	0.6
69.37666	1.1
71.01382	1.1
86.69519	0.3
96.96000	0.5
113.96281	0.2
115.00378	0.9
133.01430	2.5
134.01773	0.6
135.04544	0.5
137.02505	0.4
140.69482	0.3
188.08025	0.3
199.13493	0.3
203.10915	0.3
264.13248	0.3
273.81863	0.2
276.09607	0.5
308.12262	0.5
309.09818	0.3
361.18649	3.8
362.19083	0.4
425.14532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
59.73631	0.2
61.80756	0.2
61.98829	100.0
63.77190	0.2
70.16750	0.6
70.17149	0.5
71.01380	3.4
71.72014	0.3
72.01723	0.5
75.00893	0.3
85.03000	0.3
96.96014	0.6
115.00362	1.3
129.97218	0.3
133.01469	1.0
133.02962	0.6
134.03755	2.2
135.04057	0.7
137.02420	0.4
141.76581	0.2
177.01965	0.8
178.02693	2.3
179.03099	1.8
180.03960	0.3
191.58434	0.3
232.10722	0.4
275.09015	0.3
276.09647	1.0
308.12360	0.8
309.17096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
59.01374	32.3
61.98806	11.2
69.42124	25.3
71.01373	52.9
72.99287	4.4
73.02935	11.7
83.01372	4.8
84.95123	18.1
85.02925	9.6
87.00869	3.4
89.02447	7.7
92.14066	3.3
95.05029	4.8
96.95992	16.9
98.20006	7.6
98.95594	10.8
99.00845	6.0
99.04523	10.9
101.02439	26.4
105.03462	13.7
113.02429	10.4
115.00381	41.9
115.04002	6.9
125.02445	66.2
127.00371	9.8
128.03496	10.0
131.03519	3.4
133.01450	58.8
133.02957	95.7
134.03706	5.3
135.04538	25.3
136.04924	3.4
137.02409	4.8
143.03549	7.5
143.04620	19.1
145.01404	3.7
154.06329	4.4
161.02446	6.3
161.04550	9.0
165.74316	3.8
177.01936	100.0
178.02652	16.3
179.03465	40.6
187.02489	28.8
187.07581	6.2
191.05545	5.4
213.09271	5.2
231.10272	3.5
261.13403	6.9
273.09204	5.6
275.09521	3.2
277.03427	13.1
306.07559	15.2
307.04480	23.7
307.08023	32.0
416.20605	3.9
423.09406	7.5
423.18567	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98803	0.4
69.11981	0.3
78.95899	11.3
83.84377	0.3
100.71741	0.4
104.97482	0.5
110.98518	8.7
138.77339	0.4
167.01126	11.1
168.01466	0.4
185.02168	2.5
229.02547	0.4
253.09329	0.4
255.23273	100.0
256.23636	7.4
296.74298	0.4
311.17493	0.4
423.25156	24.3
424.25485	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.0
61.98827	31.7
69.71293	12.0
69.71702	18.2
71.01385	56.5
72.99294	6.6
73.02924	7.4
74.02477	5.7
75.00891	4.9
78.95891	6.9
82.40089	4.7
87.00883	7.8
88.98754	5.8
89.02431	8.3
96.95996	22.4
101.02452	6.1
105.03452	7.4
111.08124	12.6
113.02451	9.1
115.00371	55.5
121.02935	5.8
121.13132	5.5
127.00291	5.8
128.03508	16.5
129.01880	6.8
133.01431	100.0
133.02950	72.7
134.01817	4.8
134.03711	6.1
135.04497	17.8
137.02312	5.5
140.07153	8.1
143.04575	23.1
159.04472	6.0
161.02411	6.2
177.01910	66.6
178.02551	7.0
179.03511	25.1
187.07658	9.8
191.05603	20.9
218.02690	7.3
232.00752	6.4
245.08199	10.9
263.08966	5.5
272.08673	5.0
275.09171	6.5
277.03323	8.2
289.07205	6.9
306.07541	12.2
307.04462	16.7
307.07916	40.5
308.07596	5.8
313.14243	5.5
363.16562	7.5
387.16544	12.3
423.13779	11.2
423.18796	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	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71103	0.8
69.30544	5.8
70.82096	0.7
71.01376	61.4
72.98701	0.7
73.39314	0.7
75.14951	0.7
97.06572	2.0
105.03467	1.1
106.04295	0.9
115.00359	16.9
116.00681	0.7
118.20327	0.7
120.09165	0.8
121.02956	1.6
133.02945	13.5
134.03734	54.6
134.50218	0.7
135.04553	5.4
137.02428	11.7
139.03993	2.4
150.03160	1.2
162.03217	2.5
177.01901	30.9
178.02695	100.0
179.03419	9.1
194.68440	0.8
197.70526	0.8
205.00468	0.7
231.10326	5.7
275.09222	31.5
276.09589	2.4
307.11859	19.6
308.12228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74018	1.2
69.55978	6.9
71.01378	35.4
72.99306	2.8
79.95754	1.6
89.02425	2.1
96.96025	2.5
109.02956	14.2
115.00370	59.1
122.03748	2.7
127.12123	1.2
133.01427	85.8
134.94533	1.3
135.04539	1.8
142.91191	1.1
146.03670	1.8
146.65042	1.5
148.05270	1.8
158.03703	3.8
159.04503	6.9
170.61861	1.5
172.05280	3.9
173.06061	9.8
174.06799	2.3
175.07588	1.6
184.05299	4.8
187.04021	4.3
187.07635	45.0
188.08072	3.1
197.06075	7.7
198.06714	2.3
201.05563	8.5
202.06329	35.8
203.10789	4.5
211.07455	1.5
213.09175	33.2
213.11183	2.3
214.09515	1.7
215.07198	1.9
231.10236	100.0
232.10529	6.4
263.12836	5.2
272.46753	1.3
275.09244	68.5
276.09467	3.8
307.11823	17.0
308.12250	1.6
339.92935	1.3
353.30286	1.3
391.10178	3.8
417.89841	1.4
423.13354	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	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49456	0.6
51.39608	0.6
58.23562	0.5
61.72514	0.6
69.62704	3.8
71.01378	48.0
72.01710	0.9
78.97594	0.7
80.74652	0.6
81.67814	0.7
88.62939	0.6
97.06577	6.2
105.03448	0.7
107.31744	0.6
115.00368	15.0
121.02952	0.9
124.12611	0.7
133.02931	5.2
134.03732	100.0
135.04585	8.6
137.02432	2.2
150.03307	0.8
177.01898	7.4
178.02713	21.4
178.82793	0.7
179.03314	2.2
231.10287	4.0
231.81534	0.7
270.31305	0.6
275.09216	8.5
276.09613	1.2
284.92667	0.6
307.11841	77.3
308.12137	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	423.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14421	0.8
51.64391	0.9
59.01383	5.1
61.98827	7.4
68.82180	0.8
71.01377	56.3
71.51790	1.3
77.03980	1.8
81.72038	0.8
83.01404	1.2
91.27552	0.8
93.03452	2.1
95.05035	1.8
95.21732	0.9
96.95959	1.3
97.06582	2.9
101.02438	1.0
105.03416	5.6
106.04249	1.2
111.00819	1.0
115.00368	32.3
121.02942	4.9
123.04483	1.2
130.88615	1.0
133.01353	3.7
133.02945	77.0
134.03741	85.5
135.04572	11.7
137.02435	35.6
138.02742	1.1
139.03993	10.8
149.02437	1.2
150.03189	3.6
151.04004	1.3
159.04543	0.9
177.01917	100.0
178.02690	67.8
179.03369	8.0
180.03737	1.2
187.07646	1.8
202.09976	0.9
203.10739	3.7
213.09171	2.9
231.10262	16.6
232.10594	1.4
237.13559	0.9
247.62233	0.9
263.12833	3.7
275.09222	81.3
276.09515	7.9
307.11829	48.0
308.12192	4.1
318.32901	1.0
322.49084	0.9
377.77435	0.9
423.12680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98827	21.8
69.41321	1.6
69.41743	2.7
71.01376	70.5
72.01711	0.8
72.99301	0.5
88.99685	0.6
93.03484	0.7
96.99296	0.9
97.06583	3.6
105.03471	1.1
106.04216	0.7
109.36971	0.5
115.00366	19.5
121.02962	2.2
129.01923	1.1
133.01453	0.7
133.02951	15.4
133.03918	1.1
134.03734	72.6
135.04543	16.8
136.04842	1.1
137.02432	13.2
138.02789	0.8
139.03996	4.6
150.03192	1.8
152.93677	0.6
153.08969	0.5
161.02480	0.6
162.03194	2.5
177.01915	33.8
178.02695	100.0
179.03447	15.6
180.03737	0.8
231.10229	7.4
275.09225	35.5
276.09589	2.9
277.39899	0.6
307.11835	27.2
308.12213	2.2
362.30051	1.4
363.29813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93616	0.9
52.87367	1.1
59.01373	1.4
59.72180	1.0
71.01379	46.2
72.36413	1.0
97.06586	6.4
101.02432	2.1
101.62418	1.0
115.00367	16.7
125.04143	1.0
133.02945	3.6
134.03729	100.0
135.04547	15.7
137.02396	2.2
144.34013	1.1
177.01894	7.4
178.02711	20.1
179.03357	1.6
231.10268	4.8
272.00589	1.0
275.09213	10.1
291.18048	2.4
299.89081	1.0
307.11844	86.7
308.12177	7.0
407.64185	1.1
423.21744	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39373	0.6
59.01374	6.9
61.98827	100.0
67.98315	0.6
70.86079	1.1
70.86391	0.7
71.01368	4.6
72.99301	1.6
93.03439	1.1
96.96010	4.3
106.54250	0.6
111.82029	0.7
115.00372	2.3
119.05018	3.8
133.01430	2.3
134.03763	1.9
135.04501	2.5
139.55156	0.7
149.02452	0.7
161.04619	0.6
173.04587	2.1
179.03581	1.1
201.08917	0.7
231.09782	0.8
241.00337	1.9
307.11859	1.0
350.92880	0.7
362.29758	1.7
422.25729	1.5
423.13397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98829	100.0
62.84143	0.2
69.03460	1.0
69.77187	0.2
71.01388	2.8
72.99314	0.9
87.00877	0.3
88.46201	0.2
95.30418	0.3
96.96027	0.9
115.00380	1.0
119.05019	0.5
121.02961	0.3
130.99217	0.3
133.01428	1.0
133.02951	0.5
134.03714	1.4
135.04480	1.2
137.02336	0.4
161.04582	0.3
177.01971	0.8
178.02736	1.2
179.03441	0.5
187.07494	0.3
187.64764	0.3
231.09859	0.3
248.10301	0.3
275.09201	0.5
276.20447	0.3
287.03296	0.3
307.11899	0.6
376.25665	0.7
422.26300	18.2
423.27002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	6.8
59.01376	17.7
61.98827	11.6
69.66031	6.1
71.01375	24.9
72.00912	1.5
72.99285	3.0
74.02473	16.7
75.00879	3.7
80.26715	1.5
85.02937	3.8
86.02468	6.9
86.99114	2.1
87.05648	3.4
89.02426	7.2
90.00212	2.2
90.99677	1.4
96.96010	9.1
97.04082	1.5
99.00903	1.3
99.05636	14.5
101.02427	5.3
101.07210	1.8
102.05611	2.8
105.03474	1.6
109.07707	1.8
111.08132	2.0
112.04053	2.0
113.02462	3.5
113.07248	1.5
115.00375	20.8
127.05145	2.3
127.07676	3.2
128.03543	40.3
128.07915	1.6
133.01431	27.2
133.02937	15.0
134.03784	1.7
134.04721	1.8
135.04535	4.2
135.05637	4.5
141.06697	2.8
143.04620	56.2
145.06174	2.7
146.04599	4.3
150.03250	2.4
153.06683	4.7
159.04465	2.1
160.00745	13.3
161.02464	2.3
161.04556	1.8
161.06067	1.6
166.09837	2.7
167.04587	5.1
174.03149	2.0
177.01913	14.7
177.03407	5.6
177.05647	1.4
178.02742	1.8
179.03430	5.8
179.04776	9.8
181.06229	3.2
183.46967	1.6
185.05676	2.2
187.03894	1.5
187.07782	1.7
190.05890	1.6
191.05598	4.5
197.05679	1.7
198.08932	2.0
210.08849	10.5
213.09171	1.5
218.08191	3.0
234.05138	1.5
241.00328	4.2
242.02946	1.4
244.09831	2.4
245.08093	1.9
254.07823	11.4
261.03992	2.2
262.04456	3.5
262.10950	7.4
272.08865	25.4
273.09171	2.6
277.12363	1.6
288.06470	7.4
306.07645	100.0
307.04541	3.7
307.07980	10.5
335.10779	2.0
362.03845	1.4
378.18457	7.5
387.16681	3.9
404.15256	3.6
422.13901	5.9
422.20966	8.7
423.09488	1.7
423.18579	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	421.2596
Annotation	Lovastatin acid
Peak:m/z	Relative Intensity
58.19019	0.6
59.01376	10.4
61.98827	13.6
69.03451	3.0
71.01376	3.5
71.51321	0.7
71.51717	0.6
72.99307	4.4
75.17685	0.6
79.31499	0.6
85.02968	0.7
87.00880	1.9
95.05009	2.3
96.95997	1.6
115.00358	1.7
116.39993	0.6
117.03405	0.9
119.05125	0.5
121.06582	0.6
121.75500	0.6
133.01390	1.6
135.04498	1.3
137.83356	0.5
147.04465	0.8
171.04507	2.4
173.04619	0.9
173.06075	1.4
175.07617	1.2
177.12842	0.7
178.02773	0.5
179.14426	0.6
186.06816	0.7
187.07582	1.2
191.14380	1.1
199.07675	1.2
200.08426	1.9
201.05547	1.5
201.09183	1.6
203.07170	0.7
207.13881	0.7
214.06361	0.8
215.07133	0.8
217.08698	0.8
217.15923	0.9
219.17381	0.8
229.08740	1.2
230.09460	1.6
236.65112	0.5
237.18614	2.3
247.09798	1.4
248.10445	1.3
258.92233	0.5
273.18546	0.9
275.20178	5.5
284.34143	0.6
303.82806	0.6
305.10278	1.4
311.23776	2.2
313.25244	1.1
315.23227	0.8
327.16116	0.6
327.23361	1.5
329.24765	8.9
330.25168	1.0
331.26486	1.3
349.27335	4.2
357.24219	1.2
359.25909	11.4
360.26242	1.8
361.29544	1.1
375.25339	3.0
377.26868	7.0
389.15939	1.5
393.26682	1.3
421.25916	100.0
422.26239	12.7
426.06393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31496	0.4
57.03462	0.8
59.01377	100.0
60.01709	1.0
60.34470	0.4
61.98831	3.3
69.27079	3.7
71.01373	3.7
72.99302	3.3
73.02937	3.3
80.96527	0.5
82.71516	0.4
85.02949	0.5
87.00883	1.0
96.96004	2.4
98.20634	0.7
101.02473	1.1
104.34943	0.4
110.00231	0.4
111.08155	0.5
113.02530	0.5
115.00372	1.6
121.24505	0.4
123.08143	0.5
127.11317	0.6
133.01431	2.1
133.06598	0.6
134.03688	0.5
135.04536	1.7
137.09761	0.5
152.07483	0.5
155.10777	1.1
159.04605	0.7
171.04494	2.8
172.05171	0.6
173.06047	1.2
175.07600	1.1
179.03496	1.5
187.07643	1.1
187.13406	1.3
189.05551	0.6
191.05569	1.0
199.07632	1.0
200.08421	2.0
201.05519	1.0
201.09190	1.0
201.10957	0.5
201.14951	0.8
203.07120	1.5
214.06438	0.7
215.07002	0.6
217.08707	0.6
218.09447	0.5
229.08731	1.4
230.09448	1.4
232.07449	0.7
241.00270	1.0
241.21788	1.1
247.09682	1.2
248.10405	0.9
251.20184	0.5
295.22696	0.7
305.10449	0.5
313.23886	1.4
315.25323	3.0
343.28433	0.8
345.26285	0.6
359.27896	2.0
361.29562	62.9
362.29849	6.8
389.16180	1.6
421.11209	0.5
421.24408	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.8
61.98819	70.7
68.47524	15.0
71.01350	18.9
71.06490	30.7
96.70334	14.0
111.86230	15.7
121.02965	20.8
125.09682	18.8
138.19942	13.0
158.53259	15.0
233.15486	85.6
251.16440	22.5
318.98715	21.0
403.24832	100.0
404.25256	18.4
421.26266	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	1.3
61.98821	2.5
71.01381	1.2
71.33697	0.9
72.67106	0.5
78.34190	0.5
84.97108	0.5
137.51765	0.4
150.87378	0.5
168.08871	0.5
168.89732	0.5
179.97174	0.4
232.65382	0.5
299.75729	0.5
377.23312	0.7
395.80603	0.6
403.25198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2592
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.02134	0.2
51.99118	0.2
57.03454	0.4
59.01377	4.0
61.98825	2.2
69.03449	6.5
70.65358	0.6
71.01370	0.9
71.05025	0.2
72.99302	0.8
82.09674	0.2
83.05022	0.4
86.68689	0.2
87.00854	0.4
96.96009	0.9
109.06588	0.9
115.00389	0.3
123.08110	0.2
133.01414	0.3
135.04489	0.3
140.91806	0.2
147.11668	0.2
169.60991	0.2
173.06085	0.3
175.07663	0.3
187.07715	0.3
200.08478	0.2
201.05547	0.3
215.07150	0.2
230.09375	0.3
244.66150	0.2
247.09589	0.2
249.18498	0.4
259.17130	0.5
261.18463	1.0
273.18695	0.4
275.20187	1.6
287.19806	0.3
287.22525	0.4
291.82373	0.3
303.19653	0.6
305.10239	0.2
329.24771	0.4
331.22827	1.3
332.22931	0.2
347.25821	1.0
353.46683	0.2
355.21994	0.2
357.24084	0.3
375.25391	3.3
403.24707	0.3
421.25931	100.0
422.26263	12.7
428.93063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71003	21.6
52.10540	25.5
52.63243	20.5
52.95158	26.5
59.01366	100.0
61.98818	83.4
70.81791	62.0
96.96031	37.4
98.57966	25.6
101.67665	26.1
107.99994	27.6
121.02888	36.7
122.03249	30.5
157.42361	24.8
172.23962	27.3
235.45969	30.4
303.47052	26.7
421.27737	31.9
437.05603	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34317	5.6
59.01378	100.0
60.18142	6.4
61.98833	45.5
63.49274	5.7
69.29075	44.6
71.01379	38.8
72.90977	5.7
85.02939	12.8
89.02435	21.9
96.95991	25.7
99.00914	11.2
101.02444	19.0
113.02449	8.4
115.00396	20.6
117.66559	6.5
133.01436	18.0
161.04561	8.5
205.14384	9.0
215.12927	8.7
229.25682	6.7
312.26639	7.8
346.33691	7.0
377.18085	46.5
421.11554	19.6
421.16174	75.5
421.20847	46.0
422.16696	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98827	42.9
65.85949	16.6
67.27061	14.7
69.66365	68.5
69.66772	21.8
71.01387	51.9
80.50500	14.6
89.40456	13.8
93.63501	13.8
96.04478	12.8
98.20701	13.4
109.59974	14.4
115.00381	37.2
133.01425	49.4
139.00415	16.9
139.20146	13.2
144.60057	13.5
167.25980	15.5
203.10831	23.6
203.40990	15.0
421.16318	88.0
421.21231	30.4
422.16422	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69975	1.6
56.18615	1.5
57.03411	1.5
59.01374	14.8
61.98827	5.0
67.26183	1.6
67.64742	1.5
69.48285	6.0
69.48696	4.5
70.02977	11.7
71.01384	10.9
71.05013	15.9
72.07542	1.8
87.05628	4.8
89.02462	3.4
93.03442	2.0
96.96000	10.5
99.04491	5.2
100.50039	1.7
101.02437	4.8
113.02459	2.5
115.00378	2.2
116.07185	2.1
121.44067	1.6
128.03465	2.8
130.03325	8.2
133.01450	2.0
135.04492	1.8
137.18068	2.0
138.97054	2.3
143.04597	3.0
146.08224	88.5
147.05984	5.5
147.08546	2.6
149.02470	2.3
152.01048	1.6
175.05591	1.6
180.02998	4.5
215.12737	2.3
217.11890	16.7
223.06099	10.3
241.00215	12.2
256.11685	1.6
277.12241	100.0
278.12592	7.2
283.10956	2.2
306.07617	3.2
327.09683	2.2
355.09998	1.7
377.18167	6.3
403.11444	3.7
421.16083	9.8
421.20773	18.3
433.98575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
59.01375	100.0
60.01720	1.4
61.98820	6.1
66.77179	0.6
69.03449	10.5
70.51713	2.4
71.01370	4.3
72.99313	0.8
73.02954	2.8
82.52245	0.8
83.05020	1.0
85.02946	0.9
85.06548	0.7
96.96001	4.6
97.06597	0.8
104.33638	0.8
109.06584	1.3
115.00351	1.0
116.31578	0.8
117.14194	0.7
123.08179	1.2
133.01346	1.0
135.04492	1.1
153.09120	0.8
155.10733	1.0
167.10782	0.7
191.05649	0.9
201.14987	1.5
215.16533	1.6
239.20232	2.9
249.18602	1.2
261.18567	1.8
273.18658	1.0
275.20132	7.0
295.22766	2.5
313.23898	1.5
322.74399	0.7
329.24890	1.7
331.22507	1.8
341.27011	0.7
347.25827	5.4
348.26114	1.2
357.26233	0.9
359.27985	66.4
359.60934	0.8
360.28336	6.7
373.24261	0.8
375.25391	6.3
377.21780	2.2
391.24759	1.2
419.14288	1.7
419.24356	48.3
419.29794	1.9
420.16809	1.3
420.24713	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	420.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	10.9
59.01377	13.2
60.01707	1.3
61.98830	9.5
63.52202	0.8
69.61816	3.6
69.62228	1.7
71.01376	4.7
72.00909	4.0
73.04060	6.9
78.95899	1.1
82.06599	1.4
84.30780	0.8
85.02940	0.9
85.81531	0.8
91.05523	3.5
96.95975	1.7
97.04039	0.9
98.02470	2.8
100.99179	0.7
108.08188	1.6
110.29381	0.7
115.00346	3.1
115.05090	5.2
116.03522	1.3
129.10330	14.0
133.01445	1.7
135.04504	2.0
139.08673	0.9
141.10323	2.1
143.11877	1.0
147.04509	18.5
150.94400	0.8
151.08742	2.1
152.07149	10.1
155.08276	1.2
164.07152	41.3
165.07484	1.8
168.11372	15.3
169.09787	1.1
186.12448	34.4
187.12743	1.6
196.09756	1.6
210.12454	21.9
211.10789	2.5
211.12782	1.3
228.13400	2.9
233.16544	10.1
234.16960	1.0
244.19763	1.0
251.15291	0.8
277.15558	5.8
290.18674	9.5
300.02081	0.8
303.21744	4.4
304.22055	15.7
332.19580	3.8
376.18719	100.0
377.18903	11.3
420.21338	21.0
420.26498	1.8
421.21091	1.9
421.25720	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38636	0.4
59.01375	63.5
60.01710	0.7
61.98830	1.9
64.79973	0.3
64.95077	0.3
70.61217	0.8
70.61575	0.5
71.01368	1.4
82.61032	0.4
87.04508	100.0
88.04817	2.2
99.63207	0.4
121.72797	0.3
127.63666	0.4
145.12318	0.4
177.50134	0.4
212.60301	0.4
227.02580	0.4
227.05452	0.4
318.95523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58945	0.3
59.01377	100.0
60.01708	0.8
61.98825	2.2
65.34585	0.3
71.01392	1.4
85.02983	0.5
96.96053	0.5
101.02482	0.4
132.97246	0.3
155.58717	0.3
191.05652	0.5
203.38007	0.3
327.16003	0.5
377.25766	0.5
419.13577	0.5
419.26413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2436
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
52.43567	0.3
57.03441	1.1
59.01386	3.0
61.98829	3.6
67.01888	0.6
69.03435	2.4
69.43066	2.6
71.01386	1.9
71.05019	2.9
75.00867	0.4
80.02690	0.4
81.03461	0.6
81.07091	0.4
83.05018	2.5
84.86349	0.3
85.02946	0.6
89.02434	0.5
93.03430	0.4
95.04971	0.5
96.75822	0.4
96.96008	1.3
97.06584	1.3
98.20604	0.8
99.92586	0.8
101.02428	0.5
107.05025	0.7
108.25888	0.4
109.06567	1.0
113.02454	0.5
115.00375	0.9
115.92077	3.3
116.92851	1.1
118.06594	0.5
121.06584	0.4
121.10211	0.5
123.08153	7.4
133.01402	1.0
135.04491	0.5
135.95470	0.3
139.11256	0.4
147.08141	1.0
151.11249	0.4
163.11247	0.8
179.10759	0.9
181.12283	0.9
191.05478	0.4
191.14447	1.1
193.12321	0.9
195.13898	1.0
207.13947	1.1
207.17563	0.5
211.04366	0.4
215.14578	0.5
217.15967	2.9
218.16364	0.4
219.13911	6.0
219.17467	1.0
233.15439	0.6
235.17087	1.8
236.17119	0.4
237.18604	1.1
245.37013	0.3
255.17584	0.6
257.19171	2.2
271.20609	0.4
273.18600	4.5
273.21939	0.7
275.17319	0.7
275.20142	7.0
276.20227	0.6
295.20822	0.5
303.19339	0.6
311.20361	0.5
311.23718	0.8
327.19821	0.8
327.23315	3.3
327.99728	0.4
329.24835	6.8
330.25278	0.8
330.88486	0.5
331.22794	1.5
333.24329	0.9
345.24319	1.1
347.25784	3.0
355.22815	0.5
357.24304	12.7
358.24625	1.2
365.26920	2.4
375.25375	10.8
376.25601	1.0
391.24841	1.9
419.24362	100.0
420.24719	13.0
420.30557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03458	0.9
58.02980	6.1
59.01376	47.2
61.98832	6.1
70.25989	2.6
71.01382	16.1
72.00898	1.7
72.99284	0.8
73.02953	1.4
73.04085	3.9
73.04475	0.7
75.00842	0.7
77.78621	0.8
79.19405	0.8
85.02992	0.9
85.16441	0.7
89.02435	0.9
91.05519	2.3
93.03469	0.8
96.96004	2.0
97.04060	1.1
97.06613	0.8
98.02460	2.7
99.08183	1.8
101.02441	2.0
108.08169	0.8
112.07610	0.7
113.02437	1.2
115.00368	9.9
115.05116	2.8
119.03471	0.9
129.01865	0.9
129.09267	1.4
129.10301	7.4
133.01387	3.0
135.04498	3.1
141.09229	0.8
141.10274	1.5
142.99831	0.9
147.04510	12.3
152.07123	4.6
155.08327	0.8
157.12370	0.9
164.07156	23.1
168.11409	9.8
173.00861	1.3
179.03499	1.7
186.12474	18.7
196.09824	1.0
209.11856	0.9
210.12451	13.7
211.10770	1.7
223.17091	1.7
227.12816	1.2
228.13524	1.7
233.16528	6.2
241.00185	0.9
243.19554	4.3
257.13116	0.8
277.15518	3.5
285.20657	3.3
290.18762	5.4
292.61731	0.8
303.21741	100.0
304.22092	9.5
315.49966	0.8
327.16019	0.9
332.19785	3.0
376.18735	66.7
419.22314	7.2
420.21307	16.8
420.26175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2072
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
53.11479	1.3
55.52148	1.4
59.01369	11.4
61.98824	5.1
69.18225	1.4
69.91354	5.7
71.01363	7.5
72.99307	3.2
73.02952	7.4
76.54445	1.3
83.05032	1.6
87.00867	100.0
88.01218	1.7
89.48243	1.6
98.19979	1.8
99.00883	3.0
115.38322	1.4
121.02938	2.2
123.87604	1.7
152.78810	1.5
217.15947	3.0
248.50922	1.3
273.18561	4.6
363.18088	3.9
401.19708	5.4
419.20563	31.3
419.25464	1.9
420.21133	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	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	59.3
61.98833	72.6
66.84800	14.8
69.46135	13.9
69.49869	100.0
72.44488	13.9
78.95872	26.2
96.95965	17.2
98.19884	22.8
119.17605	16.1
123.99413	14.7
170.33736	15.6
217.14908	14.6
228.73842	15.0
357.27173	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	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	65.9
61.98827	100.0
65.59084	13.7
68.72314	14.1
71.01373	30.9
79.95776	14.8
85.82313	14.5
89.02426	13.4
98.19872	29.6
119.00039	13.5
158.65260	14.6
162.51524	12.6
166.62511	12.5
247.04965	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	419.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08687	0.5
51.68050	0.4
55.01865	0.5
59.01375	100.0
60.01730	1.1
61.98830	3.5
71.01384	4.2
71.52131	0.5
73.02943	1.5
75.00835	0.3
83.01350	0.4
85.02945	2.2
87.04510	74.2
88.04851	1.9
89.02418	0.5
96.95981	0.7
101.02448	2.1
113.02489	1.0
115.48730	0.4
133.01474	0.4
135.04480	0.5
137.86263	0.4
145.12337	0.6
161.04475	0.5
177.20901	0.5
179.03383	0.5
186.37743	0.5
189.69936	0.4
289.16193	0.5
307.17426	1.2
377.21448	1.1
419.25818	0.8
427.99939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03446	2.2
58.00588	1.2
59.01377	30.8
60.01718	0.4
61.98828	26.3
64.46502	0.5
64.81102	0.4
69.03441	1.2
69.45346	2.9
71.01379	22.4
71.05013	3.4
72.01770	0.4
72.65340	0.4
72.99306	2.0
73.02937	4.5
74.02468	0.5
75.00870	1.4
79.48907	0.3
83.01385	2.2
85.02950	9.4
85.04385	0.4
85.06557	0.6
87.00873	2.6
87.04530	1.6
89.02438	9.7
95.01391	2.6
95.05053	0.7
96.76217	0.4
96.96006	1.7
97.02942	0.5
97.06568	1.4
98.20633	0.6
99.00872	2.3
99.04517	0.8
101.02433	12.4
102.23322	0.4
107.08707	0.4
111.00855	0.5
113.01661	0.3
113.02445	8.4
115.00375	1.5
119.03518	2.5
119.08667	1.3
121.06628	0.5
123.08188	0.7
128.03505	1.0
133.01448	1.7
135.04546	0.5
135.08099	1.0
137.09746	0.9
139.07661	1.5
143.04640	0.9
145.01440	0.8
147.03156	0.5
148.04134	0.4
153.09178	0.8
159.11801	0.5
161.04543	1.8
169.08710	2.3
175.02576	0.7
176.03545	0.5
177.12837	2.7
183.10201	0.8
190.01352	0.7
204.02916	0.8
213.14912	0.5
221.03423	0.5
239.12852	3.5
249.06100	0.6
256.09885	0.6
257.13989	2.2
266.06961	0.5
267.07230	4.0
272.08789	0.5
281.09387	1.0
299.10266	1.2
303.14584	2.0
303.17938	0.9
321.61337	0.5
359.17151	0.6
387.08221	0.6
401.18167	1.2
419.19287	100.0
420.19629	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2072
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
55.01868	8.2
58.00575	5.8
59.01372	15.2
61.98832	14.2
66.40273	1.7
66.47004	1.7
70.01775	1.8
71.01390	13.1
71.05000	2.5
71.17371	2.8
72.99300	5.5
73.02942	4.7
78.60262	1.7
81.03474	3.1
83.01385	11.5
87.00872	74.5
92.37510	1.9
96.96020	2.0
99.00880	7.9
100.98792	7.5
101.02435	100.0
101.99575	25.0
102.02711	2.2
121.02979	4.1
128.77325	1.8
129.87534	2.0
141.07114	2.1
145.01410	6.9
145.41342	1.6
171.08154	1.7
193.06076	1.7
204.89403	2.2
229.15950	2.0
231.17451	3.4
235.16997	1.9
273.18585	7.7
287.20145	5.0
291.19812	2.5
303.15723	3.2
315.19562	4.5
341.17096	2.6
359.18607	18.7
360.18967	2.3
363.18146	15.5
401.19595	13.9
419.20718	88.7
420.21078	9.2
420.26724	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03431	2.8
58.00576	0.8
59.01378	56.7
60.01706	0.6
61.36662	0.6
61.98838	3.0
66.71074	0.6
68.10725	0.5
69.03439	1.2
70.47331	0.6
71.01380	28.6
71.04996	2.2
71.17639	0.7
72.01725	0.9
72.99297	2.3
73.02932	3.9
75.00867	1.0
80.96507	1.0
81.03445	0.9
83.01387	2.4
83.05027	4.0
85.02949	6.7
87.00872	3.0
87.04510	1.3
89.02441	13.5
95.01377	1.9
96.96017	1.6
97.02917	1.1
97.06615	0.8
99.00858	1.3
101.02448	14.7
101.06092	0.8
105.01961	0.8
108.04530	0.8
113.02448	7.0
115.00363	4.6
115.04022	0.7
119.03493	4.4
119.08630	1.1
120.01231	2.4
122.06097	1.5
123.08178	1.8
124.07654	1.8
125.02427	1.4
129.01900	0.7
131.03601	0.7
133.01422	4.4
135.04483	1.7
136.07672	2.9
137.09747	5.3
139.07655	1.4
143.08557	0.6
147.03218	1.5
159.11798	1.6
161.04565	2.3
162.36946	0.7
165.01912	0.8
168.06615	2.7
176.03542	1.1
177.01869	0.8
177.12781	1.9
179.03508	1.0
179.05737	0.6
181.08746	1.5
183.08817	0.6
183.10240	3.1
187.09744	1.3
191.05548	1.9
209.11676	1.1
215.11937	1.2
220.05493	0.6
223.13353	1.0
227.12840	0.8
239.12877	2.8
241.09859	0.8
243.07581	0.8
253.09612	1.0
255.11424	0.8
257.13895	2.3
266.06915	2.0
271.10672	0.8
281.09335	6.5
298.98026	0.7
299.10269	2.2
303.13535	2.0
303.17926	0.8
343.09360	0.9
401.18170	1.5
419.11008	8.3
419.19199	100.0
420.11185	1.3
420.19455	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85694	0.4
55.70328	0.4
59.01379	15.3
61.98826	5.5
71.01376	5.0
71.05153	1.1
73.04053	1.1
77.74664	0.4
79.95741	1.8
80.96515	3.0
85.02972	0.9
87.00866	1.1
88.04024	2.6
89.02440	1.4
89.03930	0.8
96.96004	79.8
99.00874	0.7
101.02434	1.7
101.82854	0.4
102.98566	0.5
105.03453	1.5
113.02448	1.5
115.00370	2.4
115.08770	1.0
122.97548	0.5
124.97139	0.5
125.07168	0.6
132.03030	1.4
133.02943	4.5
138.45863	0.5
138.97066	7.3
150.97067	0.7
163.08696	0.7
164.98640	1.3
168.98112	0.8
176.01157	1.0
177.01917	100.0
178.02214	5.8
179.05705	0.5
180.98137	0.4
191.03479	0.6
219.02919	0.6
222.99142	1.2
241.00227	35.8
242.00500	1.6
285.13837	1.9
303.14783	2.5
304.13254	2.3
333.15567	0.6
339.07135	17.4
340.07608	1.7
375.17017	0.7
401.14548	0.6
419.02856	65.8
419.15164	5.3
420.03140	5.9
420.16299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01711	1.1
61.98820	1.5
71.01384	0.8
72.91962	0.3
79.28105	0.3
83.05032	0.6
84.66212	0.3
108.77485	0.3
111.08159	1.1
125.09736	0.5
148.10217	0.3
173.08171	0.7
183.17532	0.3
187.09807	0.9
283.07538	0.4
417.21503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.19371	2.1
71.19703	2.1
128.65891	1.5
177.05653	1.4
311.19232	1.7
359.89923	1.6
417.21075	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	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.7
61.98829	100.0
69.70805	3.3
71.01392	1.9
85.02947	1.5
88.51543	0.6
98.19971	0.9
101.02442	1.6
108.75258	0.6
113.02449	1.1
124.45257	0.7
161.04622	1.4
164.65115	0.7
189.99976	0.6
269.10437	2.7
278.11899	0.7
315.71536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80587	1.3
57.16650	1.2
57.54440	1.1
58.77184	1.2
59.01378	100.0
60.01714	2.5
61.26929	1.0
61.98830	58.1
64.61863	1.0
69.90996	6.3
71.01379	13.0
73.02937	1.2
74.02477	1.6
85.02957	1.8
87.00869	3.0
89.02452	1.8
99.00873	6.6
101.02435	5.1
104.65427	1.1
113.02439	2.4
115.00383	4.1
116.07168	1.7
125.02400	2.1
125.40682	1.1
130.29596	1.1
131.07123	2.7
131.19868	1.3
132.04521	4.0
133.01416	4.4
135.04417	1.2
149.90482	1.2
159.10252	2.8
160.04016	1.3
161.04555	2.6
171.10226	1.7
198.05673	1.9
204.02972	2.6
209.11865	5.4
227.12973	1.4
228.05434	2.1
231.49899	1.1
236.05605	3.6
239.12549	1.3
243.07678	1.5
256.09576	1.6
266.06885	1.8
269.10184	2.9
281.09433	1.9
299.10367	6.5
303.14664	2.1
303.18057	4.7
311.11346	2.0
343.09906	1.2
356.40903	1.5
419.10788	2.9
419.19272	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	417.1762
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
57.03436	3.6
59.01377	18.3
61.98823	2.7
64.21526	1.0
69.03458	1.9
71.01379	12.0
71.50569	1.0
72.99319	2.4
73.02937	1.4
75.00869	3.1
79.66428	0.9
81.03426	1.3
83.01373	1.5
83.05035	1.3
85.02943	4.1
86.11301	1.0
87.00880	1.5
87.84312	1.1
89.02438	9.0
95.01443	1.1
95.05009	2.5
96.95988	2.7
97.06577	1.0
101.02418	6.9
105.01920	1.3
107.05021	1.5
113.02408	5.3
113.76851	1.1
119.03522	4.6
121.06601	2.5
123.04528	1.6
123.08118	3.6
125.06069	2.6
127.07651	1.0
131.08627	1.6
133.03000	4.9
135.04510	3.1
135.08113	1.6
144.05797	7.9
145.06592	12.3
147.08134	4.1
148.05249	1.1
149.06067	2.1
149.09714	1.1
150.03204	1.2
151.07640	17.8
159.08145	6.4
161.04570	2.6
161.06064	2.6
161.09744	6.4
163.07632	7.1
165.05556	1.1
165.09218	1.5
173.06070	9.2
173.09506	1.2
174.06699	2.3
175.07672	2.3
176.31136	1.2
177.09196	32.8
178.09462	1.5
179.07014	1.1
179.10744	4.4
181.08672	1.9
188.08432	1.3
189.09192	100.0
190.09538	5.5
191.10774	2.6
192.07909	2.4
193.08701	1.9
195.06618	4.3
197.53540	0.9
201.09135	5.6
207.10243	86.7
208.10612	4.8
219.10245	14.3
220.10593	1.4
225.11320	3.4
237.11301	28.3
238.11609	1.8
255.12361	26.4
256.12756	2.0
329.02737	1.1
337.01581	1.1
376.46219	1.1
417.17648	27.8
418.17914	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22655	1.3
55.01872	2.0
56.82250	1.6
57.03437	2.5
58.69806	1.5
59.01376	100.0
60.01691	2.4
61.98825	23.9
69.32950	11.8
71.01378	63.9
72.99308	3.0
73.02943	16.1
74.02483	3.5
74.21384	1.5
75.00867	3.7
80.09678	1.4
80.96577	1.7
81.03432	1.7
83.01376	6.2
83.05026	2.5
85.02946	31.6
87.00861	3.5
89.02436	10.1
95.01398	3.0
96.96014	7.4
97.02943	2.2
99.00874	8.1
101.02432	33.5
107.05062	1.7
111.08109	3.7
113.02450	28.6
115.00381	7.7
119.03489	1.9
121.02081	1.8
121.02947	32.8
122.03300	2.3
125.02461	4.9
133.01425	4.3
135.04517	14.9
139.07643	37.2
140.08032	2.4
143.03479	6.1
151.06081	2.9
159.02959	6.3
161.04541	68.1
162.04832	1.8
163.04012	2.9
166.63531	1.4
167.07053	1.7
181.05037	2.2
181.08662	6.7
185.08208	3.0
191.05557	2.0
195.06564	1.6
195.10309	9.4
196.80533	1.5
205.03474	2.2
237.11421	2.4
269.61618	1.9
295.10251	3.2
356.82376	1.6
357.15488	31.5
358.15845	2.1
373.20493	1.9
417.09341	2.2
417.17545	6.9
418.18497	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81981	0.4
59.01073	0.5
59.01374	7.9
61.98827	0.7
71.01378	14.7
71.51902	0.4
72.99298	1.9
85.02958	2.3
89.02454	2.0
89.42356	0.4
91.03986	0.9
96.95994	1.7
97.06547	0.5
101.02431	1.4
102.98590	0.9
109.28683	0.4
113.02435	0.9
115.00371	18.8
121.06590	1.1
123.51552	0.4
131.60655	0.4
133.01424	25.6
135.04492	0.9
143.01076	0.4
143.07118	0.6
161.04674	0.5
165.12823	4.0
166.13309	0.5
179.03506	0.6
181.08766	0.5
183.13884	100.0
184.14224	6.2
209.11848	2.8
209.49809	0.4
213.09103	0.4
227.10600	0.5
227.12825	4.5
301.16577	59.5
301.20093	5.5
302.16916	4.7
302.20221	0.7
351.13129	0.4
417.11899	0.5
417.22769	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03430	4.6
59.01376	100.0
59.98496	1.7
61.98829	7.5
63.24397	1.1
67.01856	2.3
71.01379	39.9
72.99298	9.8
73.02930	2.2
75.00867	21.5
78.38460	1.2
79.95763	1.5
83.01386	2.2
85.02948	38.9
87.00882	11.7
89.02435	9.9
89.74201	1.2
95.01398	8.8
95.39281	1.5
96.96004	4.1
98.19867	3.4
99.00887	12.7
101.02426	3.8
103.00344	5.1
108.02126	1.4
113.02444	49.7
115.00376	9.6
117.01947	2.4
122.03725	2.2
129.01906	3.9
133.01413	5.3
135.04501	3.8
141.45399	1.5
158.24377	1.6
161.04622	1.7
167.10764	42.1
168.11180	1.4
175.02440	4.4
179.03421	3.5
181.05058	1.7
181.08678	1.6
193.03560	1.4
205.07161	4.4
207.05074	1.8
213.09244	16.0
223.08113	3.6
249.06119	15.8
257.96848	1.3
267.07184	85.9
268.07507	4.8
275.09259	2.6
301.20178	7.5
399.16391	2.1
406.52173	1.4
406.66058	1.4
417.17581	92.0
417.28806	25.3
418.17990	9.8
418.29184	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30268	0.4
55.01883	0.5
57.03445	1.0
59.01376	33.1
60.01708	0.4
61.98832	1.7
71.01376	22.6
71.05031	2.2
71.52220	0.8
72.01756	0.5
72.99306	1.0
73.02931	3.5
79.95734	0.7
80.05063	1.6
83.01385	1.2
85.02930	4.1
85.05505	0.4
87.00875	1.1
89.02438	5.1
94.06606	0.6
95.01403	1.2
95.95263	0.9
96.95982	3.3
97.06617	0.9
99.00886	1.1
101.02438	7.7
102.98633	1.1
106.06600	4.2
108.04542	17.2
113.02435	3.5
115.00358	6.7
116.01514	0.4
117.46603	0.4
117.97302	0.8
119.03507	1.6
121.05315	0.9
122.06143	1.5
124.07674	8.4
132.04517	0.4
133.01433	3.4
135.04489	1.2
136.07671	34.0
137.08003	1.4
138.55867	0.4
149.06041	0.7
150.05600	3.2
151.11232	0.5
157.08672	0.7
161.04550	1.3
167.10678	0.8
177.01923	0.6
179.03448	0.6
181.08704	0.6
195.08260	0.5
195.10228	1.4
202.68558	0.5
213.13916	0.7
214.12328	1.1
225.11378	0.6
228.09088	1.0
237.14948	1.6
239.11852	1.6
241.00195	0.7
242.10608	1.8
257.12924	100.0
257.17480	3.7
258.13248	9.1
283.19080	2.1
301.11902	50.3
301.20056	11.0
302.12234	4.8
302.20578	0.9
343.21042	0.7
399.20166	1.7
416.98053	1.1
417.21204	42.5
418.21616	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	417.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03446	1.3
58.99583	0.6
59.01376	39.8
60.01704	0.5
61.98830	1.2
71.01376	24.3
71.05009	2.4
71.51339	0.6
72.16087	0.5
72.99321	1.5
73.02937	3.2
75.00874	0.6
79.95746	1.1
80.05083	1.5
83.01395	1.4
85.02958	4.8
85.33682	0.5
87.00894	1.3
87.04546	0.5
89.02431	5.8
95.01381	1.1
95.95238	1.0
96.95999	3.3
97.06580	0.7
99.00888	0.8
101.02435	7.4
102.98581	1.6
106.06632	3.8
108.04549	17.1
113.02444	4.0
115.00362	8.0
116.00728	0.6
117.97346	0.7
118.98113	0.5
119.03498	1.8
121.05333	1.6
122.06153	1.7
124.07672	9.8
131.03496	0.6
133.01396	3.4
133.02960	1.0
135.04546	0.6
136.07669	36.1
137.02345	0.5
137.08009	1.3
149.06033	0.7
150.05597	2.6
151.11305	0.6
154.54059	0.5
157.08682	0.5
159.03015	0.6
161.04568	1.8
168.06496	0.6
179.03474	1.1
179.05447	0.5
180.39819	0.5
181.04836	0.5
195.10226	1.2
213.13806	0.9
227.10416	0.5
228.09059	0.6
229.13226	0.5
237.14902	1.5
239.11893	1.8
242.10480	1.6
255.10353	0.7
257.12924	100.0
257.17477	3.7
258.13272	8.2
283.19077	1.5
301.11908	54.2
301.20053	9.3
302.12341	4.8
302.20358	1.0
399.20035	0.9
416.98108	1.0
417.21191	42.4
418.21579	5.5
440.94620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98827	3.6
69.75571	1.6
69.75983	0.8
71.01376	1.1
72.00907	9.4
75.00864	1.4
82.17616	0.5
83.84136	0.5
89.02441	0.8
90.98598	0.5
91.05548	0.7
96.96008	1.1
96.96939	0.7
100.21306	0.5
103.05518	1.1
119.05004	0.8
120.62738	0.4
126.75635	0.5
128.03513	0.5
137.02438	1.3
138.02835	0.9
147.04512	33.5
148.04836	1.1
164.07158	100.0
165.07507	4.3
191.05620	1.7
366.84784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
61.98829	100.0
69.38431	2.5
69.38859	2.1
71.01384	1.6
75.79327	0.6
83.92330	0.6
99.65850	0.7
114.50799	0.6
115.00350	0.9
135.04552	0.9
139.07643	1.4
148.79489	0.6
193.12431	0.7
299.34409	0.6
332.92511	0.6
343.24857	3.7
372.16440	0.7
417.25140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
59.01376	7.6
61.73972	0.4
61.98823	0.6
65.03954	0.8
69.21430	2.3
71.01377	10.2
72.99314	0.8
73.02951	3.7
75.00877	0.4
77.91143	0.4
79.95741	2.5
80.96513	2.1
83.01373	0.6
83.05006	0.9
85.02946	2.4
87.00877	0.8
89.02441	2.7
95.05005	0.4
96.96004	71.4
97.02933	0.5
97.06551	0.5
98.19942	0.6
98.95602	0.4
99.00867	0.5
99.92616	1.7
101.02441	3.3
101.09364	0.4
110.48309	0.3
111.00818	0.3
113.02454	1.7
115.00364	2.3
115.92091	1.8
116.92850	9.9
117.92893	0.4
117.97285	1.0
119.03494	0.9
120.99635	1.1
122.97589	0.8
130.08740	0.4
133.01427	1.9
135.04492	0.7
138.97040	1.6
150.97043	1.6
161.04532	1.0
173.13348	1.5
179.03508	0.5
180.98038	0.9
191.05446	0.5
195.13899	1.0
196.78976	0.4
198.99211	0.7
209.15385	0.4
214.92825	0.8
241.00226	3.2
255.15891	0.8
295.06091	0.6
299.15024	1.7
299.18591	7.8
300.18832	0.5
353.19632	1.4
415.16348	100.0
416.16699	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	415.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01376	12.4
61.98819	0.8
71.01378	12.1
72.20215	0.5
72.99301	1.2
73.02943	1.6
75.00869	0.5
79.95715	2.5
80.96514	1.9
83.01375	0.9
85.02948	3.1
87.00853	0.8
89.02435	3.8
96.96005	64.9
97.06588	1.5
99.00846	0.6
99.08134	0.8
101.02431	5.9
101.06059	0.5
111.08160	0.5
113.02443	2.9
115.00369	3.1
116.92860	0.6
119.03490	1.9
119.04972	0.6
120.99632	0.9
122.97555	1.0
132.24683	0.5
133.01411	3.5
133.02962	0.6
136.86209	0.5
137.06024	1.2
138.97081	1.4
139.07669	0.6
143.03477	0.8
143.07094	0.6
150.97020	1.3
155.07153	1.5
161.04562	1.9
173.08160	2.5
173.13316	3.0
180.98148	0.5
184.06239	0.5
192.82776	0.5
235.13315	0.8
241.00224	3.7
281.17480	0.8
299.15115	0.8
299.18564	16.0
300.18875	1.7
415.16333	100.0
416.16614	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69452	0.6
59.01363	0.9
61.98802	0.9
72.20917	0.6
74.99094	6.6
77.00662	76.7
78.00992	0.9
84.03976	0.6
98.20694	1.5
147.08130	1.2
149.09715	1.5
161.09676	0.8
163.11284	2.4
170.50949	0.6
176.59669	0.5
183.35597	0.6
187.11252	2.4
275.05170	0.6
279.13635	0.6
280.14676	1.5
307.16931	0.9
309.22202	2.4
322.19495	0.9
337.21713	100.0
338.22028	11.9
357.80307	0.6
415.23059	18.5
416.23346	2.6
427.42130	0.7
431.93240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92340	0.2
55.01878	0.4
57.03429	0.4
57.53103	0.2
58.12962	0.3
58.90262	0.3
59.01376	100.0
60.01720	1.0
61.98830	1.0
68.99535	0.3
69.36385	0.6
69.36789	1.5
71.01383	8.2
72.01732	0.3
72.99300	0.3
73.02953	2.1
76.98090	0.3
83.01398	0.9
83.05025	0.3
85.02937	2.4
87.00887	0.7
89.02438	3.1
95.01381	0.5
96.00636	0.3
96.96005	0.6
97.06520	0.2
98.19849	0.4
99.00856	0.6
101.02435	3.4
113.02455	2.8
115.00361	1.6
115.07709	0.3
119.03490	1.5
120.99696	0.3
133.01440	1.5
133.02959	1.7
135.04546	0.8
143.03488	0.4
161.04608	0.9
177.01889	0.6
178.02769	0.3
179.03516	0.8
179.05699	0.6
180.60275	0.2
187.07758	0.3
207.03032	0.4
222.05267	0.5
237.07674	0.5
299.18542	1.7
315.18149	0.5
361.00934	0.2
366.46826	0.3
373.22211	2.0
374.22995	0.3
415.16400	0.9
415.23227	0.9
415.29056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.13864	1.0
69.70904	4.1
76.85471	0.8
98.19994	1.8
110.50054	0.9
134.89822	0.9
153.37369	0.8
179.61559	0.9
218.46616	0.9
231.17204	1.0
280.33463	0.8
366.48157	0.8
391.25534	0.9
421.17548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58158	0.2
52.12359	0.3
53.68907	0.2
59.01375	100.0
60.01713	1.0
60.45425	0.3
65.68153	0.3
70.73492	0.6
73.60608	0.2
120.08266	0.3
157.58539	0.3
201.36914	0.3
229.11949	0.3
238.43069	0.3
335.93390	0.3
341.36993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25274	0.3
54.60904	0.3
54.80210	0.3
59.01376	100.0
60.01709	1.0
64.02454	0.3
69.60222	1.6
69.60636	0.5
75.04551	0.3
77.18673	0.3
80.41370	0.3
85.63979	0.3
96.96086	0.3
141.21539	0.3
301.23495	0.4
360.53406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29794	1.3
59.01374	6.7
60.99299	13.7
61.98826	3.0
66.81779	1.1
71.01373	15.4
72.99298	4.9
73.02945	2.1
74.02444	3.4
75.00865	2.8
85.02953	2.4
88.98798	100.0
89.02454	2.7
96.96020	3.8
98.02422	1.5
101.02444	4.1
105.11501	1.5
105.35223	1.2
108.02174	1.4
109.02940	2.1
113.02391	2.1
115.00357	6.3
118.69120	1.3
119.05019	36.7
120.01311	1.5
120.67862	1.2
133.01398	8.8
135.04494	1.4
139.07669	7.5
147.02933	2.8
152.01201	1.8
153.01903	2.0
161.04489	2.1
163.03990	2.8
183.06639	6.3
231.86653	1.4
325.09222	17.2
331.69449	1.4
380.18042	3.8
415.13083	5.8
415.19711	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66214	0.3
51.54265	0.3
53.74455	0.4
57.03452	0.4
58.42654	0.3
59.01377	10.5
61.98827	7.1
71.01378	6.4
72.99306	0.9
73.02962	0.9
74.02461	0.5
79.95733	3.7
80.52654	0.3
80.96505	1.9
83.01408	0.5
84.01876	0.3
85.02955	1.5
87.00903	0.6
89.02445	1.1
90.14635	0.4
92.91225	0.3
95.95248	1.2
96.96004	88.0
98.19900	0.9
101.02441	2.2
113.02428	0.8
115.00373	2.1
119.05022	1.0
122.97596	1.0
133.01440	2.5
134.03726	0.5
135.04500	1.0
135.08130	0.5
137.02432	0.4
138.97075	2.8
145.01425	0.5
150.97090	1.4
161.04549	0.4
164.98643	0.8
180.98120	1.4
191.05533	0.8
195.10320	0.5
195.12187	0.4
198.99200	1.0
225.00777	0.9
229.22722	0.4
241.00206	4.0
259.01358	0.6
279.16312	0.4
297.17059	4.3
298.16977	0.6
324.06000	0.4
371.21021	0.4
413.14825	100.0
414.15128	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50553	0.3
57.03452	0.8
58.00624	0.6
59.01378	100.0
60.01720	1.0
61.98824	4.7
70.23380	1.5
71.01380	12.1
72.99316	1.1
73.02946	1.9
79.95737	0.4
81.29965	0.3
83.01403	1.2
85.02950	2.1
87.00899	1.1
89.02449	7.7
89.02954	0.6
93.03480	0.8
95.01379	0.6
96.96011	8.5
97.06618	0.5
98.19962	0.4
101.02444	4.5
113.02434	3.1
115.00392	3.3
119.03494	2.7
119.05035	0.7
133.01442	1.8
134.03766	0.4
135.04543	0.9
143.03506	0.6
143.04654	0.5
161.04604	1.1
179.03537	0.4
179.05653	1.1
180.98248	0.4
191.05551	0.7
197.11868	0.5
215.14381	0.5
217.16061	0.5
244.10583	0.4
261.15015	1.4
278.40421	0.4
297.13809	0.7
297.17059	6.2
298.17587	0.7
413.14780	9.3
414.15112	1.0
435.36951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18055	4.6
58.65963	3.8
59.01379	34.1
60.99297	8.1
61.98821	4.3
71.01372	22.3
71.50336	4.0
71.87411	3.8
72.99310	47.8
73.02970	5.8
75.00870	11.9
83.01401	5.0
83.95020	4.2
87.00865	4.5
89.02445	29.2
99.00881	9.0
101.02448	39.1
105.01969	5.9
112.98794	5.2
115.00384	22.6
117.01939	8.9
124.98828	4.5
125.00960	3.8
130.08739	100.0
131.09067	17.4
133.01427	61.6
139.55724	3.9
143.00006	3.9
143.02007	8.4
145.01395	33.9
148.04353	8.3
167.01990	6.4
189.05489	4.2
211.00992	4.7
221.03012	17.1
263.05768	7.2
266.96567	7.1
272.09845	10.8
301.00830	5.2
308.97855	10.1
341.10968	5.8
352.95123	9.3
414.12051	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	413.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76054	1.1
59.01374	7.7
60.99303	12.4
65.02435	1.5
69.71635	4.7
69.72043	3.0
71.01369	3.3
72.99304	74.9
73.02943	4.4
73.99647	1.8
75.00864	5.3
87.00890	2.7
88.71913	1.3
89.02437	18.7
96.95992	1.7
98.19933	1.3
99.00859	1.4
100.59880	1.3
101.02398	1.9
105.01923	3.7
115.00381	13.0
117.01932	10.0
133.01427	100.0
134.01779	2.2
135.04485	1.4
145.01443	17.7
147.92844	1.2
189.05438	1.6
191.05574	4.5
221.03008	26.8
245.40636	1.6
324.67407	1.5
351.86444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
69.98208	1.0
71.01375	3.0
72.99311	0.4
73.02950	0.4
79.95737	3.4
80.96515	2.1
83.46049	0.2
85.02936	0.5
89.02444	1.0
90.39214	0.2
90.66557	0.2
93.23156	0.3
95.95221	1.8
96.96004	83.3
99.00884	0.3
101.02432	1.4
113.02486	0.6
115.00353	0.4
122.97586	1.1
133.01421	0.4
138.97081	2.7
150.97032	1.6
164.98611	0.6
168.98138	0.4
180.98087	1.1
198.99246	1.4
218.74075	0.3
225.00766	0.6
241.00237	4.1
259.01306	0.6
297.17035	0.9
330.29700	0.3
413.14816	100.0
414.15143	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.6
67.18683	0.5
67.59790	0.5
69.35686	3.5
70.51900	0.5
71.65282	0.5
75.00726	0.5
82.30521	0.6
94.31694	0.6
103.84405	0.6
283.47720	0.5
389.31766	0.6
399.75104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49952	0.2
52.19662	0.2
53.03479	0.2
59.01376	17.8
60.26419	0.3
61.98827	100.0
69.40800	2.0
71.01374	2.5
73.02947	0.8
77.95584	0.2
80.96535	0.3
85.02948	0.8
90.16176	0.3
91.54805	0.2
96.96049	0.3
101.02435	1.5
113.02494	0.5
115.00333	0.3
133.01460	0.3
134.03696	0.4
135.04414	0.3
149.04053	0.3
149.59209	0.3
161.04555	0.4
176.75090	0.3
178.02863	0.4
263.14938	2.8
280.33035	0.3
296.11401	0.3
297.17126	0.9
305.16010	0.4
413.14651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	13.0
60.01719	2.1
60.72795	1.1
61.01798	3.7
61.98825	100.0
69.48940	7.6
77.56347	1.3
83.00690	1.2
87.04543	1.2
98.20768	1.4
103.36668	1.2
115.92092	1.4
154.40810	1.2
259.63461	1.3
275.69244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30862	0.9
57.03432	2.6
59.01376	91.1
60.01694	1.3
61.98827	17.2
64.03915	1.1
71.01375	4.5
71.05016	10.1
71.52245	1.6
83.05029	6.2
96.08144	1.2
96.96019	2.1
97.06576	1.8
109.06580	1.8
110.06142	1.9
111.08152	46.4
111.95251	0.9
112.08493	1.3
113.09762	1.3
114.09229	3.2
115.00356	1.8
115.07635	24.2
122.06081	1.7
127.11296	2.1
128.10843	1.9
129.08998	0.9
129.23169	0.9
133.01393	1.7
135.04425	1.0
135.77301	0.9
137.09717	2.4
138.09261	1.7
139.07657	2.9
140.10793	1.6
141.12843	1.3
151.11227	1.5
155.10776	13.1
156.10277	18.2
157.08682	5.1
158.11847	24.3
158.67883	1.0
159.12173	1.1
167.14410	1.3
169.12311	18.7
178.02740	1.1
185.11812	26.4
193.12292	1.1
199.09637	1.7
200.13023	2.2
209.15425	5.9
209.19139	3.0
211.13368	23.9
211.16776	1.0
212.13716	1.9
223.91722	1.1
224.16638	1.1
227.12862	36.6
228.13162	2.7
234.15079	1.4
252.16069	3.8
253.14313	1.6
253.18092	1.1
271.15402	6.4
287.17532	1.0
290.53546	1.0
296.18802	5.3
314.19730	7.3
327.21921	1.5
336.79410	1.0
394.25995	1.7
412.18262	2.6
412.27014	100.0
413.17902	1.4
413.27393	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	410.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04495	2.1
56.19967	1.9
59.01372	33.1
61.98827	100.0
64.45337	2.0
69.49668	13.9
71.01379	48.4
72.01718	7.2
72.99307	2.6
83.48972	1.9
84.25040	2.2
96.96006	10.3
97.06598	5.0
98.95581	1.8
106.44162	1.9
109.02948	20.5
110.03277	8.7
113.02417	2.6
115.00354	28.2
116.00702	6.9
133.01419	15.1
134.01726	4.0
134.03745	75.7
135.04015	46.1
136.01657	10.2
136.04907	9.4
137.02371	3.8
138.02736	3.2
150.26285	1.9
151.03981	11.0
152.04326	6.6
163.03545	1.9
178.02571	6.7
179.03162	8.4
195.02989	4.7
196.03366	4.7
204.11081	3.7
231.10167	7.0
231.54524	2.1
232.10606	15.5
246.67223	2.6
261.13275	2.4
275.09247	5.6
276.09515	11.6
279.14215	2.7
293.10352	20.1
294.10632	81.1
295.10757	4.3
302.79224	2.0
318.32956	1.9
410.19910	3.6
411.13092	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98838	75.7
71.01383	63.1
71.43690	13.3
78.95921	17.1
89.02441	52.4
91.90197	14.6
96.95982	58.1
98.95589	21.5
101.02464	19.6
108.02178	19.9
113.02417	21.6
115.00368	33.9
119.03506	19.8
119.05000	28.9
133.01431	22.4
149.06023	27.1
161.04556	18.4
167.03442	48.0
179.03523	15.4
179.05640	45.4
187.06261	18.6
191.29518	13.4
195.06674	46.6
218.47133	16.7
268.69794	17.4
351.16364	15.7
407.70584	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	411.1269
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01372	1.7
60.81548	0.6
61.83427	0.5
61.98818	2.4
67.95462	0.6
70.19671	1.5
70.20085	1.2
71.01376	1.7
72.00906	30.5
74.02469	15.8
79.05254	0.6
80.75838	0.6
92.21381	0.6
96.96018	1.6
100.00401	41.9
100.04047	2.7
115.00363	0.7
117.51479	0.8
118.05099	100.0
119.04965	1.2
119.05537	1.2
133.01398	1.4
136.71556	0.7
144.03014	36.4
145.03355	1.6
152.04774	2.3
160.02625	5.3
161.04553	0.7
211.06065	4.0
276.54083	0.6
296.74203	0.6
411.12970	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34406	8.1
59.01373	16.6
61.75511	6.5
61.98825	31.5
69.31222	43.5
71.01398	16.4
72.99307	10.7
93.03449	6.4
96.95988	30.7
98.95577	33.1
103.62061	6.1
106.40105	7.0
109.02941	7.5
115.00380	12.7
115.07639	55.9
118.05128	12.8
119.04962	7.8
129.05562	20.7
133.01422	20.6
133.02946	14.4
143.07133	19.8
189.05557	34.1
204.72946	6.8
205.07164	100.0
233.04529	22.9
251.05504	21.0
426.75815	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	411.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
59.01383	2.9
61.98822	1.3
62.60351	0.3
69.19125	1.7
69.19550	1.0
71.01376	3.1
71.05017	1.9
72.99309	0.3
73.02946	0.5
74.02455	0.4
79.95740	2.7
80.96513	2.3
83.01408	0.4
85.02946	1.2
90.77883	0.3
93.03431	2.1
95.95247	0.7
96.96009	86.2
97.58331	0.3
98.19894	0.6
100.00408	0.9
101.02452	1.2
107.32758	0.3
115.00367	1.4
115.40662	0.4
119.30030	0.3
122.97562	1.0
125.09766	0.4
137.09717	0.5
138.97086	2.0
150.97078	0.9
153.12854	1.1
161.36836	0.3
164.98686	0.5
175.07549	0.4
178.28264	0.3
180.98119	1.1
185.11781	0.5
197.11906	0.7
198.99248	0.3
199.07623	0.9
211.07649	1.0
231.99788	0.3
241.00198	3.0
251.16554	1.1
269.08160	0.3
295.19131	8.7
296.19421	0.8
317.11679	0.8
333.73367	0.3
366.36127	0.4
366.44711	0.4
411.16907	100.0
412.17239	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	409.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31733	1.1
59.01382	15.7
69.18564	12.4
71.01012	2.6
71.01380	30.2
71.01775	1.5
72.99287	2.2
86.90615	1.2
97.06586	1.2
98.19955	2.5
109.02957	4.9
115.00363	30.0
121.02898	1.8
132.03265	1.2
133.01424	38.3
134.03732	36.5
135.04491	5.5
136.01666	25.5
137.02518	6.1
146.03697	2.9
151.03929	2.0
158.03714	8.1
159.04515	11.6
162.03232	2.9
172.05251	1.8
173.06071	5.9
174.06746	4.3
175.07646	3.4
182.40128	1.4
187.03983	4.9
187.07646	36.8
188.08054	2.6
188.98997	1.3
195.02969	2.2
201.05634	2.0
202.06366	7.5
203.10759	20.1
205.08691	2.4
213.09158	5.1
215.07054	2.5
216.07880	2.0
231.06693	2.3
231.10237	56.5
232.10526	4.5
233.08186	4.2
235.32033	1.4
244.94696	1.3
247.09860	1.3
249.11208	9.8
275.09241	100.0
276.09476	8.3
293.10287	73.7
294.10553	5.1
350.21643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37788	1.5
63.54082	1.3
67.99531	1.2
71.01379	45.3
72.01735	1.6
83.70693	1.2
93.03377	1.2
93.31413	1.3
97.06583	3.8
109.02950	18.6
112.98804	4.0
115.00362	37.1
121.02960	2.6
124.01643	1.3
133.01431	48.4
133.02910	13.8
134.03741	100.0
135.04546	27.1
136.01772	1.2
136.56590	1.3
137.02444	70.0
138.02808	3.4
139.04062	1.3
151.04002	17.6
161.55508	1.2
177.01929	17.7
178.02695	38.5
179.03485	16.2
195.02972	3.5
196.03766	23.9
203.10754	1.5
231.10233	14.8
249.11281	5.0
275.09222	17.9
276.09308	1.2
282.03745	2.5
293.10300	60.5
294.10596	2.8
312.04855	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	409.2229
Annotation	Forskolin
Peak:m/z	Relative Intensity
57.03462	0.2
59.01376	100.0
60.01715	1.2
61.98828	0.6
69.97398	0.8
71.01385	1.3
83.73455	0.2
85.02980	0.3
89.02431	0.3
96.96064	0.3
99.92622	0.7
115.00323	0.3
115.92101	0.6
116.92883	0.8
134.03766	0.4
138.67162	0.3
182.94351	0.3
249.11349	0.6
266.74966	0.3
293.10229	0.4
293.21240	1.2
340.95197	0.3
341.07816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2357
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
54.45438	0.3
57.40959	0.3
62.96408	0.3
70.57653	0.8
75.01203	0.3
78.95898	66.5
96.96957	5.7
121.02811	0.3
150.97983	1.7
152.99573	100.0
153.99934	1.8
163.11269	3.1
171.00629	2.9
204.09229	0.3
233.15459	1.5
245.15503	0.3
249.11069	0.3
255.23296	2.4
409.23392	17.2
409.27597	1.4
410.23615	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
70.09074	1.8
70.09465	1.8
70.37497	0.9
71.01376	23.2
72.99302	1.4
87.00855	4.9
89.02422	1.0
93.16628	0.9
102.84254	0.9
115.00366	32.5
133.01416	25.0
134.03757	2.1
146.03745	2.1
147.04503	2.1
148.05298	1.8
151.03949	1.0
151.07710	1.9
158.03709	1.7
159.04507	3.5
159.07994	0.9
161.02461	1.0
172.05292	2.0
173.05988	2.0
174.06801	1.7
175.03998	2.4
175.07646	8.3
176.04776	19.0
177.05106	1.2
177.09190	29.8
177.10742	2.0
178.09515	1.3
179.07059	0.8
187.07642	19.5
190.06253	2.4
201.05588	1.4
201.09142	1.7
202.06396	7.9
203.10796	2.1
204.04420	1.2
205.08679	33.9
206.09081	1.8
213.09105	1.4
215.07024	1.4
219.10281	6.3
231.10214	21.2
232.10503	2.8
233.08157	4.8
244.03856	0.9
249.11293	100.0
250.11620	7.6
275.09229	24.5
276.09634	2.2
293.10266	22.3
294.10352	1.5
409.11478	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	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98826	100.0
69.22274	6.1
70.22114	0.7
71.01392	1.2
79.95769	0.8
93.83187	0.7
115.92061	4.6
134.03717	1.1
173.25983	0.8
231.10219	1.0
285.19370	0.9
293.10443	1.5
403.69171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98826	100.0
69.22274	6.1
70.22114	0.7
71.01392	1.2
79.95769	0.8
93.83187	0.7
115.92061	4.6
134.03717	1.1
173.25983	0.8
231.10219	1.0
285.19370	0.9
293.10443	1.5
403.69171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.0
57.03427	2.5
58.00571	1.8
59.01375	35.1
61.98807	2.9
67.01870	1.9
69.03462	7.0
69.40059	7.0
70.70622	0.9
71.01376	52.6
71.04997	1.5
72.99301	6.1
73.02941	30.4
75.00862	2.5
78.95901	1.3
83.01366	3.1
85.02950	6.8
86.00095	4.0
87.00866	4.2
89.02438	31.4
93.03460	2.6
93.18523	0.9
95.05041	2.0
96.95999	2.3
96.96959	3.7
97.06596	5.7
101.02427	5.0
112.01635	2.6
112.98516	0.9
113.02443	4.7
115.00391	1.0
121.06615	1.6
131.03503	6.1
133.01392	1.9
133.02950	1.2
135.04474	1.1
149.04533	1.5
160.08946	2.2
184.88327	1.1
217.15938	2.0
233.89026	1.0
247.20599	6.4
247.50154	1.0
248.20905	1.0
257.19031	5.5
273.18726	1.0
275.20102	26.1
276.20386	2.8
277.21524	2.2
291.19678	1.6
309.20569	1.8
347.15573	3.3
347.22372	1.2
351.21674	1.3
379.25003	1.5
389.23270	9.6
407.24329	100.0
408.24704	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	407.22
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01358	0.6
61.98802	0.4
64.60474	0.4
67.31267	0.4
67.92813	0.4
67.93578	0.4
69.71309	2.4
78.95898	100.0
87.13336	0.4
95.27312	0.5
96.96951	8.5
138.19203	0.5
150.98045	1.3
152.99573	90.5
153.99919	1.0
171.00627	70.4
172.00999	1.2
183.18497	0.4
216.10989	0.4
379.56830	0.5
407.22095	4.3
408.22333	0.6
425.42047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	1.1
61.98834	2.6
69.03439	0.4
69.62228	1.7
70.82022	0.3
71.01389	0.8
72.99300	0.3
80.96566	0.3
96.96017	0.3
101.02471	0.3
115.00405	0.4
130.08760	0.8
133.01424	0.7
135.04501	0.5
163.88675	0.3
175.07629	0.3
229.08740	0.3
247.09764	0.6
303.85822	0.3
313.11530	0.3
320.22446	0.8
322.20316	0.4
341.24988	0.3
343.26379	0.6
361.27402	1.3
364.21094	0.4
407.27991	10.4
408.28391	1.2
424.73145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59606	0.3
58.31574	0.3
59.01108	0.5
59.01379	5.0
61.98827	4.7
63.99277	0.3
70.08416	1.3
71.01376	5.7
72.05629	0.3
72.99307	1.0
73.02932	1.0
73.03332	0.3
75.00861	1.0
78.70660	0.3
79.95731	3.4
80.96510	3.2
83.01408	0.4
85.02955	1.3
87.00854	1.6
89.02438	1.0
95.55045	0.3
96.96008	100.0
97.95934	0.3
98.76167	0.3
99.00869	1.1
101.02429	1.8
107.04927	0.3
113.02438	1.6
113.06108	0.6
115.00369	4.7
119.03542	0.4
122.97581	0.5
125.02444	0.4
133.01419	9.3
133.02953	0.4
135.04491	0.9
136.01660	0.5
138.05589	0.3
138.97072	8.2
143.03503	0.5
150.03210	3.2
150.97076	1.0
158.23418	0.3
160.03963	0.8
161.04617	0.7
164.98627	0.8
165.05548	2.5
168.98151	0.5
174.03271	0.6
175.02440	1.4
179.03549	0.4
180.06613	0.6
180.98119	0.6
192.99632	1.2
200.04668	0.5
203.07108	1.0
221.08865	0.3
222.99094	1.3
229.08621	0.7
230.05287	0.3
241.00212	43.9
242.00539	1.7
247.09666	0.8
249.06207	0.7
273.07858	0.4
291.08707	1.9
300.30402	0.3
309.14432	0.8
347.17160	0.9
407.06519	38.3
407.11655	2.8
408.06921	3.6
408.12085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01701	0.9
61.98819	5.1
70.13025	0.5
71.01379	4.3
71.51553	0.6
78.91869	0.9
82.08676	0.5
96.96021	0.7
115.00372	1.6
133.01454	1.3
133.02924	0.5
135.04535	0.7
179.03511	1.4
183.04707	0.6
217.92090	0.7
265.37308	0.7
345.30057	3.7
405.26852	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	406.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97563	0.5
59.01377	2.0
61.98823	100.0
64.66385	0.5
71.08620	1.0
71.08969	0.6
80.81995	0.5
135.04498	0.7
145.44710	0.7
181.80998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	14.8
59.01361	4.3
69.53307	2.2
69.53712	4.9
70.02951	1.4
71.01373	3.8
72.00917	1.6
74.02471	34.3
80.74712	1.3
80.75185	1.2
81.04568	2.9
82.02962	4.0
84.04529	1.7
86.02479	11.7
86.06091	1.9
87.02766	1.6
87.05615	6.0
88.04042	1.7
97.04055	2.8
98.20637	2.3
99.05642	27.4
101.07178	4.7
102.05602	4.4
109.04047	4.6
111.05678	2.7
112.04058	2.4
115.00372	1.7
123.05569	3.0
124.04092	2.4
125.03542	3.4
126.02032	1.3
127.05134	5.4
128.03537	71.4
133.01434	4.5
133.06923	20.7
135.05663	6.9
137.07207	2.5
141.06689	5.3
143.04614	100.0
144.04976	2.4
145.06163	3.4
146.04590	12.9
150.57281	1.6
153.06680	5.8
155.08305	1.3
166.09869	5.1
167.04584	5.6
167.08231	6.2
171.04140	2.9
179.04608	24.0
181.06216	1.9
184.10759	1.2
185.05615	2.9
192.07651	2.1
197.05696	6.3
210.08829	26.3
228.09880	2.1
254.07802	55.2
255.08061	3.4
272.08844	61.4
273.09381	2.0
277.12405	5.9
388.15424	15.1
406.16489	92.4
407.16861	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	14.6
66.03471	1.9
68.53734	1.1
69.41111	4.6
69.41535	4.5
70.02978	1.7
71.01371	1.6
74.02469	28.6
79.24171	1.2
81.04580	2.6
82.02975	3.7
84.04525	1.7
86.02483	13.8
87.02765	1.3
87.05634	5.0
88.62885	1.1
97.04056	4.7
98.20633	2.4
99.05640	25.1
101.07216	5.6
102.05603	5.4
105.68505	1.3
107.06116	1.5
109.04080	3.2
112.04012	3.5
113.03548	1.3
115.00383	1.3
123.05631	2.2
125.03554	4.6
127.05117	6.1
128.03532	73.1
129.03807	1.7
130.02312	1.3
133.01407	4.0
133.06932	18.1
135.05649	8.6
137.07158	1.8
139.05106	1.7
141.06720	3.7
143.04614	100.0
144.04941	2.6
145.06163	4.0
146.04558	11.1
149.07191	1.4
153.06670	6.9
166.09843	5.4
167.04601	4.9
167.08261	6.2
170.03333	2.9
171.04073	2.4
179.04623	25.3
181.06146	3.7
185.05708	3.0
192.07800	1.7
197.05626	5.0
210.08835	22.3
211.09142	1.1
228.09828	1.7
254.07808	42.4
255.08098	2.8
272.08829	51.7
273.09360	2.5
277.12192	6.5
280.91519	1.3
308.07355	1.5
388.15469	9.8
389.15521	1.5
406.16510	78.0
407.16614	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	406.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74627	0.9
59.01377	12.5
61.98827	100.0
63.99242	1.2
71.01374	19.3
72.99300	3.9
72.99663	0.8
76.65852	0.8
79.95738	10.1
80.05054	0.8
81.03458	1.5
82.02331	0.8
85.02958	1.7
87.00872	2.5
95.95227	11.4
96.96007	40.5
97.06618	1.5
108.02171	3.8
109.02946	19.8
111.08213	1.0
115.00358	9.4
116.90549	0.9
120.99660	5.2
121.02947	1.1
122.12609	0.8
123.04493	1.2
123.08160	1.0
127.52986	0.8
133.01433	8.8
133.02954	3.1
134.03740	10.6
135.04515	8.3
137.02417	5.7
137.09735	2.8
138.57254	0.8
138.97026	0.9
141.09196	2.6
141.95702	1.5
147.04535	1.9
149.06041	2.3
151.03992	9.3
152.98524	1.1
159.04530	1.6
161.02420	1.4
172.05318	1.3
173.06030	2.6
174.03265	1.1
175.03979	2.5
175.07619	2.0
177.01888	1.0
177.04077	2.0
177.05522	1.7
177.55280	0.9
178.02736	2.1
179.03474	4.6
186.06848	1.8
187.04022	1.3
187.07654	3.7
187.09741	12.6
188.04747	1.1
195.03027	2.4
200.04733	1.1
201.05536	1.6
201.09224	0.9
203.03523	1.7
203.07059	2.3
204.07957	1.8
205.04932	1.1
211.13364	10.8
214.06407	1.3
215.07149	1.5
217.08801	1.1
217.10800	2.7
225.00681	4.4
229.08633	2.3
230.09412	2.5
232.07471	4.7
233.08168	1.6
247.09724	2.2
248.10490	3.1
256.99820	1.7
267.19653	1.0
291.08804	1.8
301.14362	2.2
309.05585	1.1
325.20142	2.5
327.15930	2.9
343.21219	42.8
344.21454	4.7
345.17056	6.8
389.15921	2.2
406.11847	1.4
407.13391	31.3
407.21283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
61.98825	100.0
71.01363	1.5
96.95995	2.1
112.75317	1.0
115.92074	8.1
130.76981	0.9
133.01454	1.5
139.57127	1.0
140.08565	1.0
171.65337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21865	0.4
56.98018	0.6
57.56739	0.5
58.02972	3.3
59.01374	9.1
61.98806	0.5
66.03466	0.7
69.34569	0.4
69.48492	3.2
71.01379	16.4
72.00906	0.5
72.01705	0.5
72.99307	2.8
73.02940	0.7
74.02465	7.3
75.40983	0.4
79.63425	0.5
82.02978	0.8
82.86594	0.5
85.02949	0.7
85.04079	0.4
86.02484	2.8
87.00870	1.7
87.05639	1.8
88.30049	0.5
89.02439	2.1
96.95995	3.1
97.04082	1.0
99.05634	6.0
101.02429	1.6
101.07214	0.6
102.05598	1.1
109.04087	0.9
111.05627	0.9
113.02462	0.9
115.00365	39.8
116.00726	1.2
123.05618	0.6
124.04087	0.5
127.05164	1.5
128.03535	16.0
129.03900	1.8
131.01405	0.5
132.02122	0.7
133.01422	100.0
133.02835	4.9
133.06947	2.9
134.01741	2.5
134.07219	0.8
135.04546	1.1
135.05630	1.5
137.00609	0.7
139.02151	0.5
141.06702	1.0
143.04619	22.9
144.05005	2.6
145.06187	0.9
146.04608	2.4
150.03236	1.0
151.04007	0.6
153.06665	1.3
160.01654	2.0
161.04520	1.9
165.00153	9.1
167.01730	6.9
167.04626	1.4
167.08255	1.5
168.02060	0.5
170.03310	0.8
174.03154	1.3
175.03981	0.7
175.07660	0.6
179.04572	5.1
180.04919	1.1
181.06236	0.5
185.05824	1.0
192.01180	0.5
192.99620	34.5
193.99951	2.1
197.05672	0.9
200.04797	0.8
203.07133	2.0
205.66605	0.5
208.99144	4.2
210.08873	4.7
211.00777	2.5
211.09174	1.0
228.09872	0.7
229.08659	1.6
247.09682	2.2
248.03822	1.7
254.07802	10.5
255.08171	2.2
272.08859	11.0
272.11630	1.0
273.07352	1.0
273.09091	2.2
277.12296	1.5
278.12494	0.8
284.18008	0.7
290.96356	5.0
291.08728	3.0
291.14438	1.2
291.17944	0.7
308.07300	0.9
313.11813	0.5
314.10529	0.4
347.17291	1.6
388.15497	1.8
389.15854	0.9
406.16479	11.9
406.97452	9.7
407.16599	7.9
407.97595	1.1
408.16394	1.1
417.29559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40025	8.3
57.48680	9.8
59.01368	36.9
61.98822	100.0
62.01174	10.5
70.63007	19.2
70.63377	22.8
80.62475	9.4
125.10828	10.9
132.10260	9.2
143.22031	10.5
187.15593	9.9
296.80539	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	405.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17260	9.8
53.21822	11.2
55.63749	9.1
59.01369	37.6
61.98817	100.0
69.28270	44.0
69.28696	53.0
91.10799	10.8
121.05173	11.0
128.52397	13.3
134.24864	12.2
169.08351	10.1
199.62923	10.0
243.95079	11.6
245.81540	11.4
299.95050	12.3
360.98221	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	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.56570	0.3
60.01715	1.3
61.98843	1.5
63.02131	0.2
68.14600	0.3
70.37101	0.7
71.01375	2.0
73.02944	0.5
80.55537	0.3
81.12679	0.3
87.00864	0.2
96.96043	0.5
98.19768	0.3
101.02438	0.6
105.48097	0.3
115.00400	0.7
133.01410	0.5
135.04521	0.4
168.82683	0.3
172.05315	0.3
243.19591	0.4
331.66528	0.3
359.25824	1.0
369.22992	0.3
405.26315	5.3
406.26416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2279
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.01873	5.8
57.03443	4.3
58.00579	1.8
59.01376	31.7
60.01707	0.7
61.98804	2.4
65.03952	1.3
65.75031	0.5
67.01875	1.8
68.99827	0.7
69.03447	8.0
69.38673	1.3
69.39088	3.1
71.01377	58.2
71.05009	3.9
72.01714	0.7
72.02133	0.8
72.99313	6.5
73.02942	41.0
75.00862	1.4
80.96509	1.0
81.03465	0.5
81.34631	0.4
83.01363	3.2
83.05057	0.5
84.02164	0.5
85.02946	12.4
86.00096	4.8
87.00867	4.3
89.01875	0.7
89.02441	21.4
93.03471	3.3
95.01411	2.7
95.05019	28.1
96.05402	0.8
97.02923	2.8
97.06601	3.2
97.07115	0.5
99.00864	0.6
101.02446	4.7
102.02287	0.6
106.04243	1.4
107.05037	1.3
109.02943	0.6
109.06579	1.0
111.00877	0.8
111.04550	0.7
112.01649	4.6
113.02437	6.4
119.03506	0.7
119.05018	1.9
120.05852	0.6
121.02952	0.6
121.06583	1.9
123.07146	0.5
123.08116	1.3
129.01953	0.6
130.04170	0.7
131.03496	5.4
131.05014	1.1
132.05779	2.1
132.90575	0.5
133.06598	0.8
135.04446	0.8
135.08092	0.6
143.05013	1.9
145.06546	1.0
147.08160	0.9
149.04556	1.1
157.06554	1.4
158.07353	7.8
162.06876	1.0
171.08145	1.3
187.12709	0.5
187.14821	0.6
191.14418	0.6
208.01912	0.5
215.72679	0.6
217.15977	1.9
219.13753	0.6
231.17317	0.7
235.16954	1.7
247.17024	1.0
255.17581	1.9
271.17068	0.8
273.18576	33.6
274.18814	2.8
275.20084	1.8
277.18002	0.6
289.18051	1.7
291.19638	5.7
291.56281	0.5
292.20294	0.6
323.16727	1.2
331.19150	0.7
333.17181	0.5
333.20853	0.7
335.18604	0.9
345.20566	1.3
347.22205	1.7
349.20078	3.5
387.21643	3.0
405.22784	100.0
406.23108	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	405.2128
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01863	1.0
57.03445	2.7
58.00591	0.5
59.01377	18.2
61.98827	1.5
67.39800	0.2
68.25393	0.2
69.03448	0.4
69.72933	1.3
71.01378	17.7
71.05016	0.3
72.01716	0.3
72.99316	1.6
73.02937	3.4
75.00863	0.3
76.18643	0.2
79.95751	0.2
83.01377	1.9
83.61438	0.2
85.02460	0.4
85.02944	5.8
86.00089	0.2
87.00880	1.4
87.04507	3.1
89.02441	7.0
94.35280	0.2
95.01393	1.5
96.95379	0.4
96.96006	7.1
98.44073	0.2
99.00861	0.9
101.02437	8.6
101.06042	0.5
102.02853	0.3
111.00818	0.5
113.02457	3.5
115.00381	1.2
115.01062	0.2
117.03478	0.4
119.03498	2.4
120.01282	0.5
125.02467	0.3
128.98402	0.3
129.01878	0.2
133.01424	1.2
134.03731	1.0
135.04535	1.0
138.97110	0.3
139.11311	1.9
143.03481	0.5
153.12840	0.8
161.04570	0.3
165.34543	0.2
167.14348	0.3
169.12294	0.4
178.02695	0.3
179.03496	0.7
179.05635	0.3
187.07817	0.2
197.15468	2.0
199.13342	0.2
201.09273	0.3
203.03618	0.3
225.14955	5.5
241.00233	0.9
241.14449	0.6
243.15990	25.0
244.16371	2.1
245.08163	1.0
255.10175	0.4
267.15857	0.2
289.07239	1.8
289.10318	0.4
289.20145	0.4
387.20190	1.7
391.71030	0.3
405.21246	100.0
406.21588	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03471	1.4
58.00593	0.8
59.01374	22.6
61.98835	6.8
69.63249	2.3
69.63663	1.3
71.01378	20.7
72.99317	1.5
73.02942	3.3
75.00897	0.7
75.01395	0.5
79.86063	0.7
79.95726	4.1
80.96516	2.5
83.01388	2.2
85.02956	5.6
87.00872	1.9
87.04531	1.9
89.02441	7.2
91.01888	7.4
95.01373	1.4
95.95261	1.3
96.96006	83.2
98.19915	1.2
98.95618	0.9
99.00868	1.4
101.02435	8.3
107.05016	1.0
108.02157	9.6
109.02935	1.8
113.02435	4.5
115.00359	4.9
117.03422	1.1
119.03469	2.1
120.01211	1.5
121.02954	1.0
122.63299	0.6
123.00865	2.6
130.06599	0.8
133.01445	4.4
133.02902	1.2
134.03726	1.4
135.00871	7.3
135.04507	3.5
137.02444	1.4
138.97049	4.3
139.11266	1.2
143.03513	0.7
143.07079	0.6
148.05295	0.7
150.97115	1.1
152.01147	8.8
153.01541	0.6
175.04002	1.0
179.03470	3.2
183.10161	0.9
189.02011	0.6
189.05473	0.6
197.15477	1.6
199.07542	0.8
200.07004	1.1
205.16016	0.6
213.05592	0.7
213.09090	0.8
222.99069	1.1
225.00677	0.7
225.14897	6.6
241.00229	12.3
243.06602	50.6
243.15982	24.5
244.06946	4.0
244.16220	1.4
245.08078	4.0
246.08545	0.7
272.08746	1.0
285.04028	0.7
289.07022	1.9
289.10361	0.8
289.20065	1.0
363.23700	0.7
377.12112	1.1
387.19995	1.8
405.08243	33.4
405.21204	100.0
406.08615	4.0
406.21619	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01873	0.6
57.03442	1.0
58.00586	1.3
59.01377	48.0
60.01701	0.6
61.98822	2.2
66.26958	0.4
69.32301	3.2
71.01376	48.8
71.05003	0.5
72.01708	0.9
72.99292	2.0
73.02944	1.4
74.06204	0.4
83.01389	1.9
85.02947	5.8
87.00874	1.2
89.02441	28.7
90.02794	0.5
94.01149	0.5
95.01363	2.1
96.95995	2.8
97.06562	0.6
99.00909	1.0
101.02441	17.0
113.02443	10.9
113.03047	0.2
115.00366	1.5
119.03496	11.1
120.01228	0.5
127.11282	0.9
131.03505	1.1
133.01411	1.9
135.04539	2.9
139.11270	0.6
143.03494	1.2
153.12848	3.1
161.04565	1.5
177.01964	0.5
178.02687	0.9
179.03477	2.4
179.05612	2.6
181.12332	1.2
181.15941	0.5
199.13388	5.5
201.14941	1.1
207.13748	0.9
225.14922	1.9
243.15852	1.1
300.02563	0.6
345.18976	0.5
363.20197	1.2
387.20374	1.9
405.21246	100.0
406.21600	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	405.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50127	0.6
56.24697	0.5
57.03433	2.1
58.00562	0.5
58.02961	0.5
59.01371	13.5
60.01703	0.5
60.40390	0.5
61.78566	0.6
61.98834	3.6
69.03434	0.5
71.01378	19.2
71.04997	2.6
71.43302	0.5
71.43627	0.8
72.99306	0.8
73.02930	2.1
74.02475	1.9
83.04993	1.3
85.02934	1.3
85.06582	3.1
86.02493	0.5
89.02435	5.5
96.95983	1.9
97.06575	2.7
99.04570	0.5
99.05612	1.2
101.02437	3.5
101.06061	4.3
102.05598	0.9
109.04050	0.5
109.06582	1.6
111.08115	1.6
113.02438	1.7
115.00357	12.6
115.07654	3.5
119.03478	2.1
123.08128	2.1
125.02440	0.5
125.06078	5.6
127.07636	2.3
128.03554	3.2
129.03847	0.5
129.09204	0.9
130.08719	0.5
133.00606	0.6
133.01419	14.4
133.02950	0.7
133.06894	0.5
134.01782	0.6
135.03342	0.5
135.04486	0.7
137.09654	0.7
141.09167	1.3
143.03595	0.8
143.04611	4.1
144.04915	0.8
145.08690	20.1
146.04649	0.7
146.09032	0.7
149.09659	1.2
153.09216	1.7
159.10266	3.6
161.04535	1.0
161.13272	0.6
167.10753	3.5
177.03191	0.6
183.04466	1.7
185.05841	0.5
209.15370	1.0
210.08794	0.9
213.09149	5.4
219.84650	0.5
245.08098	1.4
245.17621	0.7
253.04655	0.9
254.07765	1.4
272.08801	2.1
273.09360	1.0
289.10898	4.2
289.16531	100.0
290.16907	7.8
290.60205	0.6
306.07556	2.1
307.07849	3.3
308.07236	0.7
345.15472	1.1
345.44357	0.6
405.12790	1.5
405.17441	2.0
405.21872	0.9
406.16422	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
58.00586	1.2
58.02989	0.6
59.01377	25.4
60.01708	0.4
61.98839	3.2
70.66492	1.1
71.01376	25.4
71.05019	3.5
71.29169	0.4
72.23389	0.4
72.99304	1.9
73.02940	3.3
73.06567	0.5
74.02483	2.5
81.03429	1.0
82.02995	0.6
83.01375	1.0
83.05021	2.1
85.02963	2.4
85.06583	3.7
85.61334	0.5
86.02456	1.3
87.00874	0.4
87.04495	1.3
87.05606	0.6
89.02444	9.2
95.01385	0.9
95.05014	1.1
96.53667	0.4
96.95989	2.7
97.02972	0.5
97.04062	0.5
97.06580	2.6
99.04524	0.9
99.05624	2.0
99.08147	0.6
101.02440	5.6
101.06083	5.2
102.05622	0.9
107.05022	0.8
109.06567	2.0
111.08150	1.9
113.02437	3.5
113.06087	1.1
115.00363	16.9
115.07038	0.5
115.07663	4.6
119.03485	4.2
123.08149	1.7
125.02465	0.7
125.03519	0.7
125.06083	6.2
127.07640	2.1
128.03542	5.1
129.03894	0.9
129.09167	0.9
130.08737	0.7
131.03496	0.6
133.01427	18.9
133.06949	1.1
135.04504	1.8
135.05528	0.7
135.08226	1.0
137.09671	0.7
139.07683	0.5
141.06664	0.8
141.09180	0.8
143.03557	0.5
143.04605	7.7
143.07094	0.7
143.10791	1.4
144.04977	1.1
145.05063	0.8
145.08698	20.6
146.04622	0.6
146.08977	0.9
149.09686	1.3
151.29459	0.6
153.09175	1.9
159.10257	3.3
160.00708	0.6
161.04543	2.1
161.05962	0.8
161.13531	0.6
165.01930	0.5
167.10733	3.1
174.03288	0.7
179.05782	1.2
181.12245	0.7
182.28909	0.6
183.04533	3.0
187.04033	1.1
189.05646	0.7
199.07428	0.5
207.13898	0.6
209.15298	0.7
210.08788	1.3
213.09149	7.6
225.05156	0.7
225.14838	0.6
227.06982	0.7
233.04640	0.6
243.15948	0.9
245.08127	3.0
245.17603	1.0
253.04636	1.4
254.07765	2.0
255.08165	0.8
270.45142	0.5
271.15396	0.8
272.08801	3.9
273.09183	0.9
277.12335	0.5
283.90826	0.5
289.07260	2.4
289.10861	7.2
289.16547	100.0
290.10663	0.5
290.16895	8.0
306.07642	2.1
307.07797	4.2
308.07870	0.7
331.83200	0.5
345.15668	2.0
405.12537	2.9
405.17398	3.1
405.22293	3.1
406.16513	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49759	0.5
51.07034	0.5
59.01368	4.8
61.98835	4.6
65.03958	2.6
67.01885	2.2
68.99811	0.6
69.31120	2.7
69.31530	1.2
71.01383	6.6
72.99304	1.5
78.95873	0.5
87.97099	0.5
89.02437	1.0
91.01889	38.3
92.02226	1.0
96.96008	1.7
101.02443	0.7
107.05031	2.3
108.02208	2.9
109.02946	28.2
110.03313	1.2
115.00368	12.0
119.64079	0.5
121.02922	1.2
123.04472	0.5
129.37369	0.5
131.04985	0.7
133.01424	26.0
133.03003	2.0
135.00877	100.0
135.04538	1.9
136.01183	3.2
137.02449	3.4
138.66479	0.7
141.77682	0.5
148.01741	0.6
149.02428	1.2
153.01923	82.5
154.02286	2.7
161.02419	1.0
175.03954	3.3
177.01913	3.1
179.03456	1.8
189.01860	0.8
201.09189	0.7
213.09143	0.6
225.05492	1.0
243.06581	12.1
244.06941	1.0
267.06680	0.5
273.58716	0.5
289.07098	2.2
297.06122	14.8
298.06454	1.0
375.34824	0.6
405.11951	13.5
405.20554	1.9
406.12039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
50.49759	0.5
51.07034	0.5
59.01368	4.8
61.98835	4.6
65.03958	2.6
67.01885	2.2
68.99811	0.6
69.31120	2.7
69.31530	1.2
71.01383	6.6
72.99304	1.5
78.95873	0.5
87.97099	0.5
89.02437	1.0
91.01889	38.3
92.02226	1.0
96.96008	1.7
101.02443	0.7
107.05031	2.3
108.02208	2.9
109.02946	28.2
110.03313	1.2
115.00368	12.0
119.64079	0.5
121.02922	1.2
123.04472	0.5
129.37369	0.5
131.04985	0.7
133.01424	26.0
133.03003	2.0
135.00877	100.0
135.04538	1.9
136.01183	3.2
137.02449	3.4
138.66479	0.7
141.77682	0.5
148.01741	0.6
149.02428	1.2
153.01923	82.5
154.02286	2.7
161.02419	1.0
175.03954	3.3
177.01913	3.1
179.03456	1.8
189.01860	0.8
201.09189	0.7
213.09143	0.6
225.05492	1.0
243.06581	12.1
244.06941	1.0
267.06680	0.5
273.58716	0.5
289.07098	2.2
297.06122	14.8
298.06454	1.0
375.34824	0.6
405.11951	13.5
405.20554	1.9
406.12039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59901	0.9
71.01373	1.2
79.42133	0.4
79.95723	4.5
80.96509	2.2
85.02946	0.6
85.97356	0.3
87.00891	0.7
88.23104	0.4
95.95246	1.5
96.96004	100.0
97.95956	0.5
99.00921	0.4
101.02434	0.7
110.97530	0.4
122.97594	0.5
138.97052	4.5
146.62497	0.3
148.05278	0.6
150.97116	0.8
161.45198	0.4
164.98590	0.5
165.51472	0.3
180.98073	0.5
222.99069	0.7
225.00746	0.5
241.00224	15.3
242.00482	0.6
348.84760	0.4
405.08554	78.1
406.08899	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	405.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75483	0.3
57.03448	0.5
59.01077	0.4
59.01377	9.7
61.98827	5.5
69.92881	1.5
71.01376	11.8
72.99294	1.4
73.02944	1.2
74.02464	0.8
74.02867	0.3
75.00876	0.9
78.95885	0.6
83.01384	0.4
85.02949	1.3
87.00871	14.9
87.27312	0.3
89.02451	1.9
96.96008	0.8
99.00866	0.5
99.05622	0.3
101.02428	1.2
109.02918	0.7
112.98760	0.4
113.02432	1.4
115.00364	35.2
116.00703	0.9
119.03522	0.4
122.06122	0.5
125.02486	0.5
127.00368	0.8
128.03526	1.0
129.03850	0.3
133.01428	1.5
135.02980	0.8
143.04581	1.6
144.04950	0.7
155.44218	0.4
175.02463	100.0
176.02782	3.8
176.35258	0.3
177.89641	0.4
183.04541	0.9
184.05132	0.4
193.05060	2.1
194.05347	0.4
207.06570	0.8
213.09201	3.1
213.11122	0.6
225.11339	0.4
233.04465	1.3
246.98761	0.4
251.05630	0.5
255.08263	0.5
273.09299	0.5
279.55020	0.4
289.07840	0.5
289.10709	2.1
289.16571	1.3
294.42020	0.4
306.07660	1.3
307.07895	1.6
309.06168	0.9
369.07855	0.4
405.05829	1.3
405.12802	0.4
405.17758	1.1
407.59164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00588	0.7
59.01377	24.7
61.98830	11.5
69.16399	3.8
71.01378	17.4
72.01702	0.4
72.99303	1.3
73.02930	1.8
73.18535	0.5
74.02470	0.6
75.00864	0.9
81.03455	0.8
83.01396	0.7
85.02934	2.9
87.00869	13.8
89.02438	7.0
95.01374	0.7
96.95992	1.2
99.00889	0.8
99.04507	2.3
101.02435	3.9
107.63428	0.4
109.02943	0.9
112.98865	0.4
113.02444	4.1
115.00365	34.8
116.00676	0.9
119.03505	3.6
122.06075	0.6
125.02422	1.3
127.00374	0.8
127.05119	0.5
128.03535	0.4
129.03848	0.3
133.01434	2.2
135.02931	1.0
135.04466	0.7
139.11263	0.9
143.03496	0.5
143.04581	0.7
147.04509	0.4
155.03479	0.4
161.04546	2.4
175.02458	100.0
176.02776	3.6
179.05711	1.0
181.05080	0.5
181.08653	0.6
183.04501	0.7
183.10254	15.1
184.10588	0.8
191.05621	1.2
193.05112	1.9
213.09198	1.3
233.04495	1.1
243.16173	0.4
265.93237	0.3
289.11066	1.5
289.16507	3.4
306.07520	0.4
307.08084	0.7
309.06198	1.2
323.13574	0.5
332.12534	0.4
345.11734	0.4
348.96719	0.4
351.07205	0.4
405.05951	1.6
405.12967	0.6
405.16806	0.7
405.21976	2.5
406.21613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.9
61.98826	100.0
66.69994	0.4
70.62286	1.6
71.01390	0.9
87.00887	1.0
92.65465	0.5
136.91211	0.6
186.07005	0.6
187.19904	0.5
188.08064	0.6
382.20114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66466	0.7
59.01380	8.5
61.98830	100.0
70.40762	0.8
98.20657	1.7
118.13875	0.7
135.04367	0.7
137.47897	0.8
179.03464	1.0
188.07881	0.9
215.07031	0.9
216.07440	1.0
228.98280	1.0
230.09119	1.1
275.08997	0.9
307.11407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82545	0.3
59.80386	0.3
61.98827	100.0
69.41447	0.3
69.55476	1.7
72.39928	0.3
122.94440	0.3
255.85295	0.3
317.93860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.02968	8.4
59.01369	4.3
61.98828	7.1
66.03506	1.3
69.53291	2.4
69.53712	4.4
70.02979	1.4
71.01381	11.7
72.00912	1.1
74.02472	20.2
82.02967	1.3
84.04527	1.5
86.02470	8.5
86.99086	1.9
87.05643	5.4
89.02429	1.8
90.00192	2.8
96.95985	1.2
97.04064	3.2
99.05642	15.5
101.07194	3.2
102.05605	3.4
107.06160	1.8
109.04047	2.4
111.05571	1.6
112.04038	2.7
113.03580	1.3
115.00364	2.8
116.01759	1.3
121.26942	0.9
123.05658	2.3
124.04127	1.2
125.03553	1.6
127.05171	2.4
128.03531	43.8
129.03920	1.6
131.04582	1.9
133.01453	4.7
135.00928	1.0
135.05637	4.0
137.07158	1.3
141.06688	5.0
143.04619	68.0
144.04947	1.7
145.06171	3.5
146.04585	4.0
147.37085	1.0
149.09610	1.2
150.10030	1.6
153.06656	4.9
155.08241	1.4
160.00725	18.6
165.00078	2.3
166.09856	3.3
167.01691	1.8
167.04527	5.5
167.08247	2.1
167.22197	1.0
177.03386	4.8
177.09172	3.1
178.09531	4.1
179.04617	12.0
179.09790	1.2
181.06187	1.8
185.05664	2.5
192.07713	1.5
197.05644	2.9
200.07384	1.3
210.08844	10.9
213.09166	2.1
215.05795	2.9
222.12172	1.2
223.12488	1.8
244.09776	4.5
254.07794	16.9
259.04794	1.3
272.08871	25.5
273.09161	1.8
288.06427	10.6
289.10919	1.0
289.16483	1.5
290.96396	3.5
306.07642	100.0
307.07843	6.0
344.68448	0.9
404.14713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.05423	0.2
61.98819	0.4
69.44898	0.9
69.45304	0.4
69.59319	0.2
71.01378	17.5
72.01717	0.4
84.21031	0.2
87.00874	0.7
88.50374	0.2
91.03980	0.2
97.06592	0.3
99.08147	1.1
115.00368	6.0
120.99660	0.2
129.09239	0.5
133.01398	0.9
139.11293	0.3
141.12842	1.4
155.08861	0.2
155.14360	0.4
183.53142	0.2
187.07622	0.3
199.08014	0.2
211.13330	0.4
214.06364	0.3
230.34171	0.2
241.21667	0.6
269.21210	1.9
285.20581	1.2
287.22253	100.0
288.22586	9.7
329.23215	1.2
403.17883	0.4
403.23532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37918	0.7
59.01377	100.0
60.01706	1.4
61.83298	0.6
61.98829	23.9
67.04215	0.6
71.01356	1.5
86.73753	0.6
87.00873	7.0
98.45999	0.7
100.45124	0.6
101.42721	0.6
101.90090	0.8
133.02943	1.5
135.04529	0.8
143.05063	0.8
147.04539	2.7
155.98256	0.7
159.04514	1.4
161.06091	1.0
172.05408	1.4
173.06155	0.8
174.06828	1.3
177.01949	1.2
178.02771	0.9
186.06892	1.9
187.03902	0.7
187.07663	2.9
200.04778	1.0
201.05548	2.0
201.09247	1.5
202.06400	1.5
211.07738	2.3
214.06346	3.8
215.07112	3.3
216.07515	1.0
229.08647	4.3
230.09505	2.2
231.10255	1.7
246.07178	0.8
271.07068	0.9
274.08368	1.2
287.14764	1.0
306.10962	3.6
329.23489	1.9
337.41861	0.8
343.28577	3.7
368.36893	0.9
371.14786	1.0
403.17453	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	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03441	2.6
58.00586	0.7
59.01377	19.2
61.98820	0.3
70.11366	0.3
70.11707	1.4
70.97150	0.3
71.01378	13.8
71.05003	0.7
72.99304	1.1
73.02950	3.6
83.01381	2.6
85.02946	6.7
85.06587	0.8
87.00858	1.5
87.04508	7.4
89.02436	5.4
95.01379	1.4
96.96014	0.4
97.02963	0.4
99.00851	1.2
101.02436	8.3
101.06067	1.6
113.02450	4.3
115.00345	0.6
119.03474	1.9
121.10204	0.3
132.04501	0.9
133.01419	0.5
153.09193	6.4
154.09529	0.5
158.02417	0.4
159.02977	0.8
161.04544	0.5
161.13319	1.7
190.05066	0.5
223.13344	1.9
224.09657	0.4
224.13652	0.4
227.12857	0.8
234.77737	0.3
239.11967	1.1
240.10275	0.3
241.14436	9.1
242.14836	0.7
253.06169	1.1
281.09247	0.4
283.10907	2.4
287.14993	2.4
287.18460	0.7
309.08972	0.8
317.73785	0.3
321.37357	0.3
327.09818	3.1
371.08871	3.3
372.09427	0.3
385.18613	1.0
403.19675	100.0
404.19995	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	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
57.03447	2.4
58.00602	2.3
59.01378	51.8
61.98831	0.5
70.74520	1.1
71.01382	24.5
71.05020	1.0
71.10313	0.5
72.01727	0.5
72.99297	1.7
73.02927	1.4
83.01347	1.1
85.02943	5.6
87.00878	1.2
87.04507	1.2
89.02441	23.6
95.01390	2.1
101.02444	14.5
101.03110	0.8
111.12672	0.4
113.02447	8.3
114.13341	0.5
115.00400	0.5
119.03486	8.2
119.08631	2.0
121.10236	6.5
143.03455	0.6
153.09253	0.6
155.10773	1.2
160.84082	0.4
161.04474	0.7
161.13347	5.4
162.13635	0.5
165.09193	0.8
179.05621	2.1
180.05724	0.5
196.33102	0.4
198.50795	0.5
199.09694	0.8
214.12511	0.4
223.13385	23.8
224.13724	1.5
225.14970	0.5
239.12076	0.4
241.14441	1.6
245.83432	0.5
275.42133	0.5
283.11102	0.5
287.15033	1.4
287.18402	0.5
403.19696	100.0
404.20081	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01866	1.4
57.03435	1.5
58.00592	0.8
59.01377	35.0
59.60650	0.4
61.98837	0.8
62.44880	0.4
69.03441	1.0
71.01377	20.8
71.05018	0.8
72.99305	1.0
73.02944	4.7
83.01382	2.8
85.02949	6.1
86.00063	0.9
87.00875	3.6
89.02443	3.5
95.01376	1.1
96.96026	0.5
97.02925	0.6
99.00873	1.3
101.02441	9.4
111.00838	0.7
112.01674	0.5
113.02433	4.7
119.03479	1.0
124.01627	0.9
125.02431	1.2
127.09238	0.4
129.01929	0.4
150.66536	0.4
153.12859	1.7
159.65176	0.4
181.12338	2.9
199.13374	18.9
200.13702	1.6
211.13396	0.9
213.14990	0.5
241.14488	1.2
287.15039	0.7
287.18378	1.0
343.17572	19.9
344.18024	1.9
361.18649	47.7
362.19107	3.4
403.19684	100.0
404.20062	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	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.5
61.98819	100.0
66.94198	14.8
71.33020	24.5
75.97138	17.6
117.57473	17.0
187.91826	16.3
203.75018	16.1
209.71457	20.0
390.10037	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	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.7
61.98837	100.0
70.59850	25.2
70.60175	12.9
78.95907	15.9
90.96931	12.3
133.67039	9.8
144.18394	11.0
152.99554	24.2
207.87160	12.5
253.37170	12.3
268.67065	10.7
289.79108	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	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89649	1.7
56.02236	1.6
57.03422	2.4
59.01114	2.2
59.01378	30.8
61.64793	1.6
61.98837	10.7
70.52126	3.6
70.52480	3.2
71.01373	23.3
71.02815	1.6
73.02917	6.1
79.95745	2.9
80.05058	2.0
80.96518	2.0
82.18946	2.0
83.01382	10.5
85.02929	6.6
87.00859	3.1
87.04463	2.1
89.02418	7.2
92.35892	1.7
95.01372	2.0
95.95192	1.9
96.96000	36.0
101.02425	7.2
108.04521	2.5
112.68839	1.8
113.02401	3.0
115.00341	7.0
119.03487	2.1
122.06104	9.5
124.29423	1.8
129.01926	1.8
130.02989	3.8
132.04546	20.7
133.01407	6.5
138.97096	3.2
146.02481	2.4
147.03253	3.9
148.04027	3.3
150.05536	2.2
158.02463	10.9
159.02983	13.9
160.04001	10.7
161.04733	3.2
161.13269	3.3
162.05548	5.3
172.11249	2.2
174.05597	2.3
176.03502	11.9
176.07152	2.7
184.07727	3.6
190.05084	26.6
191.05649	2.8
196.11311	2.3
198.04181	2.0
199.08806	2.5
209.07190	3.6
209.11592	2.0
211.12383	4.9
212.05841	2.8
212.10698	3.1
213.10405	2.4
215.11768	4.0
220.02353	2.6
223.08652	4.7
223.13449	2.2
224.07268	3.5
224.09441	16.1
225.06354	2.4
226.07384	4.4
227.08191	7.7
227.12895	3.3
234.03815	2.4
239.04536	2.0
239.08234	3.9
239.11861	30.6
240.10475	8.9
240.12291	2.9
241.00197	13.5
241.09821	14.8
241.14459	4.7
250.07436	3.0
253.06149	26.2
254.06500	3.8
255.07713	5.4
255.11223	7.4
256.08597	2.6
265.09656	3.0
267.07697	12.8
268.08521	12.0
281.09256	6.3
283.10852	81.1
284.11093	6.8
285.13364	4.4
287.14890	13.2
287.18384	4.1
292.87445	1.9
309.08853	22.4
315.13342	4.2
327.09821	100.0
328.10156	10.6
341.11380	3.1
353.07608	3.5
359.12338	4.9
371.08752	84.4
372.08951	9.3
402.96811	9.2
403.11298	69.8
403.19537	49.9
404.11789	11.7
404.20081	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	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01376	49.1
69.42990	6.2
71.01366	6.5
96.45390	0.9
98.19905	1.8
115.00361	7.5
121.58167	0.9
133.01419	2.2
134.03725	1.3
153.58855	0.9
165.12837	1.2
182.79268	1.0
207.13832	2.1
209.11874	4.7
225.14914	3.7
227.10777	1.9
227.12875	24.7
228.13179	1.3
269.13916	5.3
287.14978	100.0
288.15329	9.8
295.88162	1.0
341.10153	0.9
371.08728	1.1
403.15848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20783	0.7
55.38556	0.7
56.34838	0.7
57.03449	1.4
59.01374	34.5
61.98834	5.1
65.58640	0.8
70.06523	1.8
71.01379	15.3
71.05036	1.1
72.53162	0.7
73.02946	2.6
79.80534	0.6
83.05019	1.6
85.02940	1.2
87.00846	0.7
87.93730	0.6
89.02455	1.8
89.93330	0.6
95.95238	1.1
96.96001	3.0
97.02947	0.9
98.95599	1.4
99.04506	1.0
101.02434	1.2
101.06082	0.8
102.98564	0.8
109.06590	1.1
113.02456	0.8
115.00362	9.1
115.04039	1.5
123.08130	2.4
132.04561	1.3
133.01442	3.5
134.03725	3.4
135.04561	1.0
135.08119	0.9
137.09698	0.8
141.09244	4.3
145.05089	2.3
149.06053	1.7
150.03188	2.0
160.03999	1.5
165.05547	1.5
178.02699	2.6
180.12822	0.8
182.08197	1.0
189.12935	0.8
193.05067	8.0
205.44501	0.7
207.13852	3.8
209.04558	1.0
209.11833	2.8
220.06198	1.3
223.13521	1.3
225.14905	3.2
227.12872	17.3
228.13260	1.5
241.10722	0.8
243.16000	4.4
251.12981	2.0
256.99673	2.5
269.13873	9.8
283.11008	1.6
287.14993	100.0
288.15295	9.1
322.12357	0.7
327.09747	1.9
351.19016	0.7
371.08725	1.6
386.13245	0.9
403.14865	3.6
403.19412	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.6
61.98815	2.6
61.99310	1.1
70.03086	4.6
71.01371	6.4
73.02972	1.0
80.05054	1.2
85.02966	1.0
93.31167	1.0
95.95206	1.0
96.95985	3.0
104.05035	1.9
108.04561	1.7
115.00356	4.9
115.59821	1.1
122.06113	6.9
130.02957	1.9
130.78520	1.0
132.04546	15.4
133.01402	1.9
135.04483	1.4
137.69702	1.0
146.06123	1.2
147.03233	3.8
148.03952	1.2
150.05634	3.1
152.07120	1.3
153.25090	1.0
158.02415	6.8
159.02936	1.8
160.04015	8.8
161.04759	3.0
162.05583	2.8
174.05531	1.7
175.02756	1.5
176.03484	8.6
176.07141	3.7
184.06268	1.1
184.07684	2.3
190.05083	16.3
191.05608	1.6
192.06674	1.2
194.05986	1.0
196.11266	2.7
198.04263	1.1
198.09398	1.3
209.07188	3.0
211.06494	1.2
211.08476	1.0
211.12366	4.2
212.05710	2.3
212.10747	3.7
212.12643	1.5
213.06628	2.6
215.11865	6.8
220.02609	1.6
223.08749	4.0
224.09509	11.7
226.07443	2.9
227.08168	5.3
227.12997	7.6
234.03943	1.1
237.10365	1.3
238.08818	1.3
239.04500	1.1
239.08105	2.6
239.11874	29.9
240.08511	1.0
240.10185	5.0
240.12317	1.5
241.09796	11.8
243.06610	2.2
250.07579	2.9
252.05428	1.5
253.06129	23.5
254.06693	3.5
255.07805	3.5
255.11316	8.8
256.08493	3.0
265.09735	2.9
267.07675	7.4
268.08517	10.5
269.13864	1.4
281.09219	8.5
283.10843	67.0
284.11130	5.0
287.15002	29.7
287.18509	4.9
288.15283	3.4
309.08768	18.1
310.08884	2.4
315.13275	1.8
327.09824	70.9
328.10080	6.7
329.05344	1.6
341.11206	1.7
353.07703	3.1
359.12308	2.6
371.08795	100.0
372.09198	10.4
403.11374	50.7
403.19696	3.5
403.23901	1.2
404.11789	5.6
404.20016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.1
61.98828	100.0
65.51807	1.1
69.63940	1.0
70.34126	3.8
88.77990	1.2
102.36353	1.2
135.72118	1.4
163.11247	6.8
172.78145	1.2
180.78690	1.2
324.27588	1.2
339.23242	5.4
345.34943	1.4
358.33023	1.2
384.14670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
61.98829	37.5
69.37006	3.3
69.37427	4.2
71.01382	8.0
72.99306	1.4
74.02493	2.1
81.03401	1.0
83.97105	1.0
85.02937	2.5
85.93525	0.9
86.36729	0.9
88.98825	1.7
89.02477	6.1
89.02921	1.3
93.03449	6.7
96.95995	4.4
101.02438	3.0
104.03515	1.3
107.45037	0.9
110.89066	1.1
113.02477	2.4
115.00371	3.1
121.03007	1.1
128.03525	2.7
129.10362	1.2
133.01407	1.5
133.02951	5.3
137.02426	16.5
151.03969	1.2
153.99687	1.6
164.73672	1.0
167.85551	1.0
176.01180	1.2
177.01915	100.0
178.02322	5.6
179.03577	1.8
179.05582	1.1
196.00766	4.0
223.06151	2.9
286.03958	1.6
286.13126	1.5
287.14786	2.0
339.07156	34.0
340.07556	3.6
342.11136	1.4
356.49136	1.2
402.11221	1.8
403.12326	15.9
403.16794	1.5
403.21893	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	401.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64364	0.6
57.03450	5.3
59.01378	15.1
61.98817	0.6
66.92796	0.6
69.03465	1.2
69.38151	4.0
71.01380	10.5
72.99313	1.2
73.02953	0.9
79.95727	2.7
80.96514	2.3
81.03436	0.8
83.01376	1.5
83.05022	0.6
85.02947	2.5
87.00880	0.7
89.02443	3.4
89.55783	0.6
93.03468	0.6
95.01361	1.0
96.96009	81.3
97.02953	5.3
98.20606	1.1
98.95628	1.4
99.00811	0.6
101.02426	4.3
105.86810	0.5
107.05029	1.3
109.06532	1.0
113.02452	2.5
115.00348	3.6
116.12026	0.6
119.03506	1.2
121.06604	1.2
121.99847	0.6
122.03674	0.6
123.08202	3.6
133.01407	2.9
133.02953	0.6
135.04507	2.6
135.08165	1.1
138.97116	1.5
141.09207	2.1
144.05806	2.0
149.09695	6.3
150.97021	2.2
151.07619	2.4
159.08186	2.0
161.04530	0.9
161.09708	0.9
162.06909	0.6
163.07593	2.7
164.98692	0.7
165.09200	0.6
167.07072	0.9
173.00931	0.6
173.09628	1.0
177.09209	24.5
177.12714	1.0
178.09677	0.8
179.03500	1.6
179.10741	1.6
180.98090	1.1
188.08429	1.0
203.10783	6.6
204.11118	0.7
206.09500	1.2
221.11821	27.3
222.12131	2.1
225.11244	0.7
235.99323	0.6
239.10799	0.6
239.12814	3.8
241.00247	3.2
265.10406	0.5
269.08398	0.7
285.13361	1.8
285.16898	1.7
286.16663	1.4
333.16473	0.6
341.10754	1.4
357.09732	1.3
401.14645	100.0
402.14941	10.6
402.19363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03439	5.3
51.23830	5.7
58.25425	7.2
59.01368	36.9
59.62799	5.6
61.98809	35.3
69.68600	23.4
69.69010	10.5
70.33352	6.0
71.01365	49.4
82.04013	5.9
89.02463	12.5
91.91378	5.6
96.96010	22.9
98.19942	9.1
98.95597	26.9
98.96461	7.0
102.98566	9.0
115.00362	6.7
121.02946	100.0
125.09737	11.0
132.40556	6.1
133.01430	20.8
155.10780	8.2
157.08673	14.6
171.10204	10.8
184.37048	6.5
261.13168	9.0
271.21414	6.9
274.02643	6.6
285.20593	7.6
313.07162	25.9
327.21658	11.0
341.10834	19.4
357.06226	9.5
357.11600	7.0
401.08939	50.0
401.16367	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01880	2.3
55.90007	0.5
57.03444	3.3
58.00588	1.0
59.01378	29.9
69.77848	2.6
71.01381	23.6
72.99305	1.4
73.02945	6.1
83.01390	4.0
85.02946	11.2
87.00888	1.5
89.02441	10.1
95.01376	1.8
97.02941	0.7
99.00862	2.9
101.02441	19.2
101.03116	1.1
102.02766	0.5
109.06557	0.5
111.00901	0.6
113.02451	8.9
119.03470	3.3
120.86267	0.4
123.08151	2.9
133.01407	0.5
151.11304	0.5
161.04590	1.7
177.12827	5.4
178.13171	0.6
195.13884	2.6
221.11821	3.7
285.13434	0.6
401.18152	100.0
402.18552	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	401.1813
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.89848	0.4
55.01867	0.6
57.03440	10.7
58.00620	0.4
59.01376	13.3
61.98824	11.1
69.03454	1.2
69.65931	1.3
69.66355	1.0
71.01377	10.7
73.02943	2.4
75.12363	0.4
80.02719	0.4
81.03462	1.0
83.01393	0.6
83.05028	0.9
85.02938	5.0
87.00828	0.5
89.02438	4.1
93.03487	0.5
93.07078	0.6
95.01395	1.3
95.05029	1.5
97.02977	2.0
97.06602	0.5
98.03730	0.7
98.19907	0.6
99.00873	1.2
101.02435	5.7
106.04244	0.7
107.05035	1.4
108.02176	0.5
109.06613	0.8
113.02451	4.2
117.07088	0.4
119.03493	1.5
119.05022	0.6
121.02959	0.5
121.06594	14.3
122.03757	0.5
122.06992	0.5
123.04504	1.3
123.08157	4.7
125.06002	0.5
131.08661	3.0
133.06558	4.1
133.10225	1.2
135.04543	3.5
135.08168	2.8
137.06061	0.6
141.09216	0.9
144.05804	12.5
145.06319	0.8
147.08151	0.6
148.05292	0.8
149.06085	0.8
149.09714	30.1
150.10045	1.3
151.07642	7.5
151.11241	0.5
152.07941	0.5
153.09248	0.5
158.07382	1.0
159.02991	1.0
159.08154	13.6
160.08902	1.0
161.04552	6.7
161.06058	3.3
161.09712	3.0
162.06810	0.7
163.07637	5.2
165.09198	1.8
173.06041	1.0
173.09703	1.7
175.07652	0.8
175.11282	2.0
177.09200	100.0
178.09547	6.7
179.10744	5.2
180.11075	0.4
185.09686	0.7
187.07648	1.9
188.08414	6.4
189.08760	0.4
191.07198	0.6
191.10744	2.7
192.11079	0.4
193.12347	1.2
195.10245	1.1
201.09242	0.5
203.10765	18.8
204.11066	1.2
205.08696	4.1
206.09430	2.3
209.11844	1.0
221.11807	63.4
222.12144	5.2
239.12871	21.0
240.13173	1.3
278.03745	0.4
401.18121	6.4
402.18716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60879	2.7
58.00594	2.9
59.01376	49.8
61.98818	9.1
64.31381	2.5
69.69359	12.5
69.69775	6.1
71.01008	4.4
71.01377	46.5
71.89198	3.0
72.99307	4.9
73.02939	4.8
74.02489	4.4
75.00864	29.0
85.02943	11.5
87.00864	48.4
87.05627	3.0
88.98792	23.9
89.02437	58.5
93.32365	2.6
95.01363	4.6
96.96005	20.9
97.02936	4.0
99.04520	2.9
101.02428	24.2
113.02455	18.6
115.00342	3.5
119.03526	16.3
128.03514	3.5
133.01390	4.0
135.04497	7.6
143.03496	3.1
149.02446	4.0
161.02480	7.3
161.04526	5.4
163.04001	17.0
164.04802	12.8
165.01935	2.9
165.05588	4.7
166.02740	5.0
166.73351	2.7
176.04727	7.5
177.01956	3.6
178.06339	15.0
179.03484	3.1
179.05566	23.5
179.07115	19.6
181.05054	7.7
191.03517	14.0
191.07071	7.1
193.05019	7.8
193.08707	3.5
194.05785	7.8
197.08093	2.9
203.03558	4.3
204.04169	2.9
205.05048	8.8
206.05811	6.4
207.06538	3.4
209.08202	8.5
221.04539	3.8
221.08171	6.7
237.07693	3.0
247.02457	3.7
262.04770	8.1
265.07098	41.2
277.07132	23.1
286.12799	3.7
295.08182	54.4
320.53290	2.6
341.10822	97.6
341.14890	6.0
342.11078	6.1
355.10297	13.2
358.17340	5.5
358.54214	3.1
383.09906	5.6
401.10849	100.0
401.20901	3.3
402.11078	9.6
402.20200	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	2.0
59.01377	59.8
70.61352	5.4
71.01378	42.4
72.99301	6.9
73.02962	3.5
79.56598	1.6
85.02949	6.7
87.00876	7.4
89.02442	66.5
95.01422	2.4
95.32333	1.5
98.95040	1.7
101.02435	23.9
109.60509	1.6
113.02457	19.5
119.03493	19.4
120.49686	2.2
121.74936	1.7
132.65022	1.7
133.01401	10.5
143.03482	4.2
145.01431	2.3
149.04524	2.3
161.04530	5.2
179.05602	29.6
179.07051	3.4
179.68988	1.7
187.96739	1.6
191.04082	1.9
191.05551	12.9
247.06177	1.8
265.07181	2.0
277.06940	2.0
341.10840	100.0
342.11093	8.9
355.10406	1.9
401.10889	5.0
410.76648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64364	0.6
57.03450	5.3
59.01378	15.1
61.98817	0.6
66.92796	0.6
69.03465	1.2
69.38151	4.0
71.01380	10.5
72.99313	1.2
73.02953	0.9
79.95727	2.7
80.96514	2.3
81.03436	0.8
83.01376	1.5
83.05022	0.6
85.02947	2.5
87.00880	0.7
89.02443	3.4
89.55783	0.6
93.03468	0.6
95.01361	1.0
96.96009	81.3
97.02953	5.3
98.20606	1.1
98.95628	1.4
99.00811	0.6
101.02426	4.3
105.86810	0.5
107.05029	1.3
109.06532	1.0
113.02452	2.5
115.00348	3.6
116.12026	0.6
119.03506	1.2
121.06604	1.2
121.99847	0.6
122.03674	0.6
123.08202	3.6
133.01407	2.9
133.02953	0.6
135.04507	2.6
135.08165	1.1
138.97116	1.5
141.09207	2.1
144.05806	2.0
149.09695	6.3
150.97021	2.2
151.07619	2.4
159.08186	2.0
161.04530	0.9
161.09708	0.9
162.06909	0.6
163.07593	2.7
164.98692	0.7
165.09200	0.6
167.07072	0.9
173.00931	0.6
173.09628	1.0
177.09209	24.5
177.12714	1.0
178.09677	0.8
179.03500	1.6
179.10741	1.6
180.98090	1.1
188.08429	1.0
203.10783	6.6
204.11118	0.7
206.09500	1.2
221.11821	27.3
222.12131	2.1
225.11244	0.7
235.99323	0.6
239.10799	0.6
239.12814	3.8
241.00247	3.2
265.10406	0.5
269.08398	0.7
285.13361	1.8
285.16898	1.7
286.16663	1.4
333.16473	0.6
341.10754	1.4
357.09732	1.3
401.14645	100.0
402.14941	10.6
402.19363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91889	1.1
58.02968	11.0
58.78042	1.2
59.01377	88.1
60.01717	1.8
60.99302	1.4
61.98830	12.9
71.01385	9.6
73.02924	1.3
76.85245	1.5
77.87836	1.3
85.02981	2.1
87.00906	2.1
88.04066	1.7
88.98804	17.0
89.02427	7.5
91.72060	1.2
96.95998	4.8
101.02432	3.1
106.04237	1.7
109.02935	2.3
113.02442	3.3
115.00353	1.4
119.03481	2.0
119.04964	1.5
133.01450	1.3
137.02403	1.8
149.06108	1.4
153.01901	2.8
161.04532	4.8
161.43182	1.3
173.65187	1.1
177.27176	1.3
178.08722	100.0
179.05612	2.5
179.09047	4.4
194.52052	1.5
206.71953	1.3
227.94370	1.2
255.31088	1.3
261.33408	1.2
314.09576	1.2
315.07358	4.1
315.33032	1.5
340.14047	1.8
341.10883	14.5
401.10815	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	3.4
68.99825	1.5
70.66898	3.2
71.01375	5.5
72.99291	1.0
73.02946	2.9
80.29205	1.2
85.02940	4.9
87.00336	2.4
87.00873	43.7
88.01213	1.7
89.02441	4.1
95.01371	2.0
100.71901	1.1
101.02432	3.8
101.26368	1.3
109.02895	1.6
113.02435	2.9
123.00860	3.9
138.03226	2.6
149.02432	3.4
150.03214	1.3
151.00296	2.3
155.34662	1.3
161.02383	6.8
163.03989	16.0
164.04764	11.9
165.05466	4.0
166.02702	5.7
173.02412	1.9
175.03984	3.6
176.01334	1.8
176.04733	14.1
177.01895	4.3
177.05298	2.1
178.06335	17.6
179.03476	6.6
179.07101	26.4
180.07399	2.1
181.05043	8.4
191.03508	14.5
191.05272	1.8
191.07033	6.8
192.04155	3.0
193.05054	7.4
193.08630	3.6
194.05800	5.0
203.03491	5.1
203.06998	1.2
204.04152	2.0
205.05087	8.9
206.05835	8.0
207.06448	3.5
208.07370	1.3
209.08186	8.1
218.05826	4.4
219.02959	4.1
219.06685	1.3
220.03680	1.6
221.04518	3.5
221.08144	5.9
222.05351	1.6
231.02942	2.5
234.05298	3.4
235.02278	1.4
236.06624	1.5
237.07582	3.3
238.04773	1.7
246.05426	1.4
247.02405	6.0
247.06039	3.4
249.07584	4.5
250.04846	1.7
251.09193	4.0
261.04059	1.3
261.07568	1.6
262.04810	7.6
265.07135	50.6
266.07474	4.5
277.07144	26.6
278.10208	1.3
279.08865	1.9
295.08203	63.9
296.08517	4.4
298.33359	1.3
324.89978	1.2
325.09015	1.9
341.10867	4.7
355.10294	19.7
356.10602	2.9
383.10004	6.3
389.15103	1.2
401.10828	100.0
402.11249	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	400.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44800	0.2
54.44794	0.3
57.03445	1.5
59.01374	3.0
59.80072	0.3
59.97618	0.2
61.98827	100.0
70.26048	0.8
71.01380	2.5
85.02955	0.8
87.00880	0.7
89.02438	0.9
97.02967	0.4
99.00902	1.5
99.01460	0.2
101.02464	0.7
109.02948	0.3
113.02438	0.7
115.00359	1.9
121.06599	2.0
123.08180	0.7
131.08643	0.7
133.06604	0.6
135.04544	1.0
135.08165	0.5
139.00450	0.3
144.05830	1.9
149.06097	1.4
149.09712	4.2
151.07678	1.1
157.01451	0.5
159.03033	0.4
159.08131	1.5
161.02400	2.1
161.04565	1.0
161.06094	0.9
161.09698	0.4
163.07695	0.7
165.01892	0.4
173.06119	0.3
173.09715	0.3
175.02519	1.4
175.03917	0.5
175.11270	0.4
177.01915	2.7
177.09196	15.3
179.03635	0.3
179.10773	0.8
188.08447	1.2
191.10844	0.5
195.10367	0.3
203.10753	3.1
205.08733	0.7
206.02225	0.5
219.03148	0.5
221.11801	11.1
233.04550	2.0
237.04015	0.6
239.12830	3.5
261.61743	0.3
277.03488	6.2
277.06418	0.3
278.03918	0.8
296.11932	0.3
319.04617	2.6
320.05380	0.3
328.48001	0.3
337.05612	2.6
400.05188	1.9
401.18130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90955	0.9
56.70515	1.1
57.03439	3.8
57.52563	1.0
59.01378	29.0
61.98825	100.0
67.01869	2.8
67.13232	1.0
71.01373	20.8
71.09669	2.5
72.99314	1.8
73.02930	2.5
74.02456	3.5
78.95882	1.3
81.03478	1.1
83.01338	1.1
85.02923	5.7
87.00863	6.1
87.05625	3.7
88.17751	1.2
89.02435	9.9
93.03459	14.1
95.40732	0.9
96.00938	1.1
96.96006	8.6
99.04508	1.7
100.22895	1.2
101.02426	6.3
101.31227	0.9
109.02922	2.3
111.00855	1.3
111.04485	2.3
113.02437	4.7
114.05614	1.3
115.00373	7.2
119.03488	3.0
119.04977	5.9
120.01218	2.1
121.06586	5.2
123.08086	1.4
127.04064	1.2
129.06691	4.3
130.08702	2.0
133.01427	6.6
133.06587	1.4
135.04492	3.9
143.11836	1.6
144.05774	3.9
149.09705	7.6
151.03937	2.5
151.07599	3.7
153.01898	1.6
157.14717	1.0
159.08116	3.4
161.02534	1.3
161.04478	3.1
161.09656	1.3
163.03998	3.7
163.07655	1.9
165.09163	2.8
169.09882	1.4
173.04512	9.8
175.02530	1.1
177.09184	28.1
179.05685	2.5
179.10707	2.3
182.05817	5.3
188.08344	1.3
191.05589	64.9
192.05986	1.6
197.08197	5.2
200.13976	1.1
203.10722	5.9
221.11790	18.5
239.12865	7.2
241.20953	1.1
258.61163	1.1
271.17715	1.1
276.17474	1.1
276.58075	1.0
277.03464	1.8
283.15552	1.2
284.12128	1.1
284.15796	2.9
285.13358	6.0
337.09241	15.1
341.10849	12.0
353.09088	7.8
357.17819	9.2
400.09027	6.6
401.10678	2.2
401.18552	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1693
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
55.67636	0.4
58.25916	0.3
59.01379	3.3
61.98824	0.5
62.03301	0.3
63.58018	0.4
66.47720	0.3
71.01376	6.9
71.51794	0.3
72.99294	0.4
73.02943	0.9
79.95737	2.9
80.96516	1.6
83.01405	0.5
85.02963	0.9
86.15849	0.4
87.00886	0.8
89.02442	0.9
96.96008	75.6
97.95976	0.5
101.02432	1.5
113.02443	0.6
115.00374	1.7
122.97593	0.9
125.02401	0.4
129.38693	0.4
133.01422	1.5
133.02957	1.1
135.04500	1.3
138.97044	1.9
146.10255	0.4
150.97070	0.9
155.08977	0.5
177.01929	0.5
178.02556	0.5
178.99850	0.5
179.03479	1.1
180.98070	1.1
198.99150	0.7
241.00198	3.6
250.60152	0.4
278.35144	0.4
313.27289	0.8
399.16913	100.0
400.17175	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	399.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03446	2.8
58.00594	0.6
59.01376	33.5
61.98821	0.9
65.83836	0.3
70.66123	0.7
70.66471	0.5
71.01379	21.4
72.01721	0.4
72.99325	0.3
73.01139	0.4
73.02953	2.1
77.62063	0.3
83.01382	100.0
84.01727	2.1
85.02940	3.8
87.00853	0.7
89.02441	2.1
95.01380	0.6
96.96014	1.0
97.06558	0.8
98.95576	0.4
99.00864	1.9
101.02435	5.7
102.98594	1.8
113.02461	3.5
115.00356	5.7
119.03491	0.7
133.01431	3.7
133.02953	1.4
134.03693	0.7
135.04507	2.2
137.02448	0.4
143.03491	0.3
155.10789	0.6
159.02997	0.7
161.04544	6.0
162.06415	0.4
177.02060	0.4
178.02650	0.9
179.03520	2.0
205.03577	0.3
211.13403	0.5
229.08554	0.5
267.06546	0.6
268.07297	0.5
278.93326	0.3
283.19135	12.6
284.19452	0.6
315.18039	3.8
316.18353	0.7
325.20432	0.4
338.04224	0.5
399.16357	1.1
399.20663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
61.98838	2.0
63.25727	0.4
71.01384	4.8
72.99283	0.4
73.02947	0.6
75.74014	0.4
79.95726	3.6
80.96515	1.7
83.05027	0.5
85.02962	1.8
87.00855	0.5
89.02436	2.5
89.44434	0.4
93.03397	0.5
95.95238	2.0
96.96006	79.8
101.02425	2.0
113.02411	0.9
114.01921	1.0
115.00383	1.2
119.03479	0.5
119.05017	0.4
119.53458	0.4
122.97544	1.4
124.40874	0.5
133.01402	0.9
134.88927	0.4
138.97087	1.4
150.23100	0.4
150.97052	1.6
152.98732	0.4
160.08942	2.9
162.22250	0.3
164.98634	0.7
175.11241	5.6
176.11673	0.5
180.98091	1.1
191.05605	13.4
219.10231	6.0
220.10512	0.6
225.00656	0.7
229.44751	0.6
241.00211	3.8
283.11945	0.5
283.15396	0.7
291.62482	0.4
337.09283	1.8
399.13202	100.0
400.13257	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27887	0.5
59.01375	100.0
60.01718	1.2
68.90790	0.4
69.55583	2.9
71.01381	5.8
74.02481	0.8
86.29789	0.4
96.96001	6.1
104.03526	0.8
109.02942	0.5
111.04525	0.7
115.00370	3.0
115.07691	0.5
117.03461	0.6
133.01392	3.6
135.04485	0.9
147.76036	0.5
159.04605	0.6
177.05580	0.8
179.03447	1.0
182.57668	0.5
184.11438	0.5
191.05591	0.7
221.08064	0.6
223.13553	0.6
223.97182	0.5
267.11627	0.5
283.11862	0.6
283.15576	0.8
366.59976	0.5
385.36600	0.5
399.08200	0.6
399.13339	5.4
399.21127	1.3
400.14316	0.7
400.20822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62193	0.5
59.01074	0.6
59.01376	17.6
61.98828	100.0
63.32370	0.4
70.99487	0.6
70.99809	0.5
71.01385	3.5
73.02940	0.5
79.95751	1.1
80.96503	0.4
85.02953	0.9
95.95229	0.8
96.96008	18.2
99.00908	0.7
99.04539	0.4
101.02475	1.7
113.02465	0.8
115.00392	1.2
133.01469	0.7
161.04605	0.8
177.01978	0.6
206.03047	0.5
241.00302	1.0
249.13431	3.7
258.16943	0.4
262.00769	0.4
282.14059	0.5
283.15515	0.5
291.14432	1.1
318.09766	0.4
352.27521	0.5
398.11838	3.5
399.13235	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
58.56739	0.3
59.01379	8.3
61.98823	1.1
71.01374	3.3
71.50762	0.4
73.02937	0.4
75.00882	0.3
79.95737	1.1
80.96516	0.9
87.16177	0.3
89.02447	0.8
95.95237	0.4
96.96004	50.4
97.06601	0.3
98.95625	0.4
101.02464	1.1
113.02426	0.3
115.00375	1.3
122.97576	0.6
133.01392	1.6
135.04530	0.3
138.97061	6.1
150.97075	0.7
160.01645	0.4
164.98529	0.3
168.98129	0.9
171.10284	1.7
175.04004	0.6
180.98093	0.5
197.15939	0.3
198.99164	5.8
241.00227	2.6
259.01236	3.5
283.15588	0.8
286.53485	0.3
399.13251	100.0
400.13553	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	397.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.1
57.03444	6.2
58.00593	1.9
59.01378	44.8
61.98829	25.7
68.30805	0.5
69.03454	1.3
71.01378	100.0
71.05014	0.6
71.50889	0.8
72.01699	1.6
72.99302	4.0
73.02943	34.4
74.03303	0.6
75.00871	2.4
79.95762	1.1
81.03481	0.8
83.01384	19.2
83.47278	0.5
84.01694	0.6
84.02171	0.8
85.02948	48.1
86.03288	1.0
87.00867	4.4
88.98820	0.5
89.02442	17.6
93.03460	3.0
95.01385	7.2
96.96007	21.3
97.02959	3.5
99.00873	14.3
100.01226	0.6
101.02439	97.0
102.02758	2.3
106.25829	0.5
109.23692	0.5
111.00878	1.5
111.08119	0.5
113.02444	42.1
114.02798	1.4
114.03761	0.5
115.00358	1.6
117.01948	0.6
119.03513	5.1
121.40887	0.5
125.02435	3.8
129.01921	1.8
131.03481	1.4
133.01408	1.7
137.02448	7.1
139.00369	0.6
143.03481	5.9
145.05128	0.6
155.07077	0.8
159.02969	9.7
161.04549	43.8
162.04909	1.4
173.00029	0.5
177.01936	2.0
179.03363	0.6
179.05655	2.7
205.03513	1.8
221.06660	0.7
223.24892	0.5
234.99219	1.4
235.11838	64.5
236.12201	4.2
241.00253	0.6
245.06645	1.1
263.07626	1.3
339.06866	0.6
358.67023	0.5
384.37625	0.5
397.17105	70.7
398.17432	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	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52822	0.5
59.01369	1.9
61.98813	1.2
68.26957	0.5
70.65373	1.2
70.65728	0.8
73.55089	0.5
75.00877	1.1
75.76629	0.5
86.96265	0.6
87.00893	0.7
117.01914	2.2
135.02989	3.9
277.21701	100.0
278.21997	10.7
311.16687	1.3
370.18127	0.6
395.24130	0.8
410.79663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04603	1.1
52.93242	1.1
52.95684	1.2
59.01377	13.6
60.51570	1.1
61.98827	35.6
70.45986	1.2
71.01369	7.1
71.51228	1.6
72.00915	12.5
74.02477	6.2
89.02436	1.8
93.03449	19.1
93.04546	1.1
95.95192	1.2
96.96000	7.4
98.36871	1.3
101.02482	1.4
106.04202	3.9
107.05031	2.1
111.04491	5.0
115.00349	3.4
119.05015	19.7
129.05542	2.7
133.01399	4.1
135.04488	1.5
136.07700	1.8
140.09038	1.3
163.04016	12.8
180.06650	100.0
181.06943	5.1
191.05582	2.5
222.07655	1.9
231.10201	1.3
237.11301	1.5
248.12872	3.0
264.12335	3.7
281.13916	1.6
292.11917	19.0
310.12946	30.4
311.13324	2.3
352.14047	18.2
353.14523	1.7
360.07410	1.3
396.10529	4.0
397.11392	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	397.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.8
57.03447	5.3
58.00598	2.6
59.01376	47.9
61.98827	30.0
61.99067	0.4
69.03441	1.6
71.01378	100.0
71.50665	0.9
72.01711	1.5
72.99310	4.7
73.02943	36.3
75.00866	3.6
78.95902	1.1
79.95728	1.3
81.03465	1.1
83.01382	17.0
84.02190	1.2
85.02948	49.4
86.03284	1.0
87.00893	4.8
89.02440	18.1
89.25740	0.7
89.87427	0.6
93.03444	3.6
95.01387	7.7
96.96006	32.1
96.96950	1.4
97.02954	3.1
99.00881	16.0
99.60024	0.7
101.02437	95.5
102.02773	1.7
107.85863	0.8
111.00879	2.4
111.08067	0.7
113.02446	42.4
114.02779	0.8
115.00343	1.0
119.03487	5.0
121.02879	0.7
125.02449	4.4
129.01875	1.9
131.03485	1.0
133.01453	2.0
135.04547	1.1
137.02449	9.2
143.03499	6.3
154.01448	0.8
155.07123	1.0
159.02992	9.5
161.04543	44.5
162.04849	1.2
164.80878	0.7
177.01920	1.5
179.05577	4.1
185.04509	0.7
191.03505	0.7
205.03394	1.3
220.16231	0.8
234.80807	0.8
234.99231	1.5
235.11855	64.1
236.12184	3.6
240.18738	0.8
245.06773	1.0
263.07632	0.9
273.85236	0.7
299.07758	0.9
348.06491	0.6
397.17096	69.2
398.17542	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.08288	0.4
59.01375	100.0
60.01715	1.1
61.98824	1.8
67.10323	0.4
67.50004	0.4
69.47959	2.3
69.48370	0.7
71.01377	9.0
73.02950	1.4
79.95752	0.4
82.49589	0.4
83.01408	0.6
85.02962	1.7
89.02428	0.7
96.96034	1.5
98.19938	0.8
99.00883	0.7
101.02437	4.3
113.02445	1.7
115.00371	3.2
119.10767	0.5
133.01422	3.0
133.02994	0.9
134.03740	2.7
135.04539	2.3
137.02510	0.4
143.03529	0.5
159.03043	0.6
161.04514	3.0
177.01961	1.1
178.02763	1.6
179.03487	1.1
248.80539	0.5
253.55763	0.4
261.07889	0.5
267.42389	0.4
279.08878	2.4
279.12320	0.6
280.09003	0.4
335.20734	12.8
336.21292	1.4
364.98505	0.5
395.11832	0.4
395.17178	0.8
395.22351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.08288	0.4
59.01375	100.0
60.01715	1.1
61.98824	1.8
67.10323	0.4
67.50004	0.4
69.47959	2.3
69.48370	0.7
71.01377	9.0
73.02950	1.4
79.95752	0.4
82.49589	0.4
83.01408	0.6
85.02962	1.7
89.02428	0.7
96.96034	1.5
98.19938	0.8
99.00883	0.7
101.02437	4.3
113.02445	1.7
115.00371	3.2
119.10767	0.5
133.01422	3.0
133.02994	0.9
134.03740	2.7
135.04539	2.3
137.02510	0.4
143.03529	0.5
159.03043	0.6
161.04514	3.0
177.01961	1.1
178.02763	1.6
179.03487	1.1
248.80539	0.5
253.55763	0.4
261.07889	0.5
267.42389	0.4
279.08878	2.4
279.12320	0.6
280.09003	0.4
335.20734	12.8
336.21292	1.4
364.98505	0.5
395.11832	0.4
395.17178	0.8
395.22351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25038	0.5
59.01376	100.0
60.01712	1.6
61.98826	1.8
69.03458	1.1
69.36417	3.2
69.36836	1.3
71.01379	7.6
71.01736	0.7
73.02950	0.6
85.02995	0.6
95.05065	0.8
96.96028	1.3
101.02448	1.2
104.71323	0.5
113.02517	0.5
115.00392	3.2
123.08271	0.5
133.01436	2.1
133.03001	0.9
134.03734	1.3
135.04543	1.8
154.07826	0.5
157.97389	0.5
178.02748	0.6
191.05705	0.5
217.12326	0.6
261.07791	0.6
279.08844	1.3
279.15964	8.0
315.04987	0.7
319.38663	0.6
335.20844	0.6
395.00961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08335	0.6
57.03437	0.8
58.77490	0.5
59.01369	1.8
69.24857	5.0
71.01382	4.4
72.99277	0.9
75.00864	5.1
79.95744	2.0
80.96537	0.7
85.02937	2.5
95.95226	2.3
96.96006	100.0
97.33499	0.5
98.20701	1.3
101.02433	1.2
115.03975	1.1
129.01967	2.8
138.97078	2.7
153.80104	0.6
159.03008	1.7
168.98111	1.8
177.04041	21.8
178.04398	0.9
194.99640	1.5
213.00735	2.8
244.58601	0.6
256.99704	16.4
257.99878	0.8
330.90656	0.7
377.41986	0.6
395.13763	82.4
396.14023	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	395.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
71.01389	2.4
73.02915	0.4
75.00867	0.6
79.95736	20.2
80.96513	1.8
83.38006	0.4
85.02948	0.5
88.69859	0.4
95.95232	32.3
96.96009	66.9
98.20772	0.7
101.02385	0.5
109.96756	0.4
122.97580	1.0
130.10373	0.5
138.97112	2.1
141.95746	0.5
150.97063	7.2
151.97867	6.0
164.98604	0.8
176.98566	0.5
177.04051	3.1
180.98216	0.5
194.99660	1.2
213.00697	1.0
222.99144	2.8
241.00200	6.0
242.00587	0.5
256.99667	3.2
395.13773	100.0
396.14136	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51460	45.2
61.98818	61.0
70.98888	100.0
93.93608	54.4
108.10478	54.2
125.64390	52.0
181.51056	48.7
184.74664	43.5
195.64572	50.6
383.99139	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49063	0.4
59.01378	3.0
61.98819	0.5
62.86086	0.3
71.01378	3.3
73.02971	0.6
73.09866	0.4
79.95726	3.7
80.96515	2.9
85.02962	1.0
87.00880	1.2
89.02466	0.5
91.43425	0.3
96.96004	100.0
99.00883	0.4
101.02443	1.0
113.02437	0.7
115.00343	0.6
120.01274	1.9
122.03720	1.3
122.97538	0.6
125.02608	0.4
133.01398	0.7
135.04539	0.4
138.97063	9.5
142.46927	0.3
143.03413	0.4
150.97038	1.3
152.03528	14.3
153.03827	0.4
160.76917	0.3
164.98643	0.6
168.98177	0.7
180.98087	1.0
181.90318	0.3
185.82616	0.4
213.54997	0.3
222.99078	1.8
234.90749	0.3
241.00224	51.9
242.00551	2.0
261.07593	0.4
273.17041	0.5
279.12485	0.7
314.08746	0.5
394.04443	38.2
395.04803	3.6
395.10165	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	395.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01377	17.9
61.98827	3.7
63.48030	0.6
71.01377	23.8
71.50932	1.0
72.01732	1.1
72.99295	4.4
73.02946	1.0
73.60584	0.6
74.02474	1.3
75.00902	1.1
80.96494	0.7
85.02933	1.9
87.00856	1.4
89.02435	6.9
96.96002	6.8
98.95608	4.3
98.96186	0.9
99.92577	4.2
101.02436	3.2
104.76308	0.6
107.05048	0.8
107.48000	0.8
113.02437	2.5
115.00365	45.4
115.92065	3.7
116.00723	1.1
116.92848	7.9
119.03468	2.2
127.04048	0.7
130.04265	0.8
133.01424	77.1
134.01709	1.4
134.03694	1.2
135.04509	3.0
143.05029	1.6
145.06581	1.9
154.01483	1.0
156.74651	0.7
161.04625	1.7
163.07632	2.6
171.04507	31.7
172.04883	2.2
173.06067	32.8
174.03247	1.8
174.06404	1.9
176.04700	1.5
179.03415	1.0
179.05557	0.9
180.06599	2.2
189.05569	2.1
191.05576	1.3
191.07083	3.0
198.93297	1.2
199.04105	1.2
200.01170	2.4
215.03496	2.0
215.14055	1.4
217.05046	17.2
217.08400	0.9
218.05394	1.6
228.00635	2.3
235.06088	1.0
235.09677	0.8
243.02957	100.0
244.03279	8.7
248.12738	0.6
256.56119	0.6
261.03986	10.4
262.04269	1.3
279.05405	0.7
279.08575	0.9
279.12418	1.2
281.18466	0.7
290.95908	0.7
308.11328	1.0
335.10208	0.7
335.16998	3.4
357.21198	1.8
363.43518	0.7
376.96036	1.5
395.10187	3.3
395.15408	1.8
395.19614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1492
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
58.02978	15.6
59.01371	16.8
59.81784	1.6
61.67177	1.5
61.98828	11.5
64.65837	1.6
70.39041	5.4
71.01373	6.2
74.02464	32.1
81.04572	2.0
82.02973	5.2
86.02466	12.1
86.04636	1.5
87.05624	4.0
89.02435	3.8
96.96008	14.9
97.04080	4.2
99.05629	25.8
101.02449	3.3
101.07210	4.9
102.05591	6.6
107.06122	2.4
109.04044	4.5
109.07681	2.0
111.05604	2.8
112.04048	3.7
113.02457	2.5
113.03522	1.6
115.00358	2.9
117.03766	2.6
119.05361	17.0
123.05659	3.3
125.03558	4.7
127.05122	5.1
128.03537	75.6
129.03873	3.3
133.01407	5.1
135.04648	1.9
135.05609	9.3
141.06650	3.8
143.04611	100.0
144.04927	2.4
145.06194	4.4
146.04546	11.0
149.07187	1.6
153.06677	7.0
166.09828	5.9
167.04567	4.5
167.08257	7.0
170.03291	1.7
179.04601	21.1
181.06247	1.7
185.05702	2.1
192.07773	3.1
195.70612	1.4
197.05640	5.7
210.08827	21.8
228.10027	2.3
231.66570	1.7
233.11757	2.2
254.07805	49.2
255.08026	1.9
263.10721	6.0
272.08847	48.0
273.09143	2.4
310.09076	2.0
333.15469	2.3
356.13498	1.6
374.13898	12.0
392.14929	86.8
393.08817	2.2
393.15146	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13413	0.4
58.83189	0.5
59.01370	1.1
61.98829	100.0
67.53483	0.5
69.31525	1.5
69.31950	2.7
135.04169	0.5
170.99849	0.5
209.09543	0.5
276.09827	0.6
287.23978	0.5
407.74069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.5
61.98827	100.0
69.69151	0.4
69.69421	1.9
71.01391	1.0
82.50652	0.3
88.28680	0.4
96.76438	0.4
98.20608	0.4
115.00399	0.4
120.25868	0.4
133.01442	0.6
135.04184	0.4
135.88396	0.3
150.94963	0.4
219.34711	0.4
275.09372	0.6
276.09613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.4
60.17130	0.3
61.98822	1.2
71.01381	2.9
71.50717	0.3
72.69875	0.3
72.99295	1.1
74.02468	0.3
75.72734	0.3
79.95724	2.0
87.00871	0.4
89.02433	0.6
92.23801	0.3
96.96007	100.0
99.92570	0.5
101.02436	0.9
114.93418	0.6
115.00368	4.8
116.92841	0.9
120.91286	0.3
133.01421	18.8
134.01730	0.5
135.04532	3.8
165.05490	0.4
177.05583	0.3
179.03500	4.5
180.03867	0.4
195.06674	0.4
267.07089	0.3
270.09177	0.4
289.00143	0.3
291.98331	0.3
295.04538	1.1
357.21356	0.4
390.08429	0.3
393.04852	0.8
393.17661	1.1
416.56116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17633	0.3
57.03442	0.3
59.01377	9.5
63.28359	0.2
69.16962	0.7
69.17375	1.7
71.01376	3.4
72.42997	0.3
72.99319	0.5
73.02959	0.8
75.75616	0.3
79.95728	3.5
80.96521	3.0
83.01385	0.3
85.02963	1.1
87.00879	0.9
89.02478	0.7
96.96006	100.0
99.00900	0.6
101.02423	1.2
110.97581	0.3
113.02463	0.9
115.00360	0.4
119.31128	0.3
120.90313	0.3
122.97578	0.7
133.01431	0.7
138.97063	8.2
143.03560	0.3
150.97037	1.1
151.01155	0.3
151.03979	1.9
158.64296	0.3
164.98584	0.8
168.98070	0.9
175.03845	0.3
180.98125	0.8
193.05109	0.3
222.99135	1.4
241.00215	37.0
242.00551	1.3
277.09802	0.4
333.15503	0.8
346.12943	0.3
393.04919	39.9
394.05188	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	393.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.7
60.05249	0.7
61.98827	7.2
69.59473	4.8
71.01378	5.3
73.02932	0.8
79.95729	4.2
80.96513	3.2
85.02940	1.4
86.72318	0.7
87.00851	1.1
89.02431	4.4
96.96004	100.0
98.19907	1.5
101.02422	3.4
113.02435	2.0
115.00343	1.5
119.03474	2.2
133.01410	3.7
138.97078	7.8
143.03528	1.0
150.97006	1.1
151.04005	17.4
152.04410	0.9
164.98563	0.9
169.84669	0.8
171.24495	0.8
177.05443	0.8
179.05550	1.2
180.98102	1.0
189.17203	0.9
193.05034	0.9
196.64609	0.9
222.99117	2.3
241.00206	43.6
242.00534	1.3
315.62827	0.8
333.15417	1.9
393.04922	46.1
394.05270	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52575	0.4
59.01376	100.0
59.17219	0.4
60.01710	1.3
61.98826	13.6
69.37064	3.3
71.01398	1.1
73.78220	0.4
74.41969	0.5
115.00401	0.8
133.01411	0.9
136.38397	0.4
137.02409	0.4
150.10036	0.4
235.29947	0.4
277.10336	0.5
390.44800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67558	0.7
59.01371	4.4
61.98827	100.0
70.55726	1.7
70.56079	1.1
71.01376	8.0
76.51235	0.8
91.94642	1.0
96.96005	3.0
114.72108	0.7
115.00372	2.9
133.01424	2.4
133.02914	1.7
134.03735	3.8
135.04475	2.1
137.02423	1.3
143.85498	0.8
162.03241	1.7
177.01935	1.6
178.02692	0.9
187.07680	0.9
231.10269	2.2
275.09222	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
61.98826	100.0
71.01379	12.2
72.99334	1.0
87.00876	2.0
88.01226	0.6
97.06591	1.0
105.03460	1.4
115.00368	4.5
133.01440	3.2
133.02943	6.1
134.03790	8.7
135.04459	3.1
137.02477	2.2
138.02815	0.9
139.04030	0.7
158.03787	0.5
161.02487	0.8
162.03241	1.7
174.06989	0.4
176.04405	0.4
177.01906	3.6
178.02670	6.7
179.03119	4.7
187.03906	0.5
187.07642	2.2
188.08067	0.8
201.05450	0.5
202.06117	1.0
203.07085	0.7
204.07619	0.6
206.08939	0.5
211.13507	1.6
212.13785	2.1
214.06311	1.1
215.06961	1.9
216.07588	0.7
229.08572	0.9
230.09305	1.1
231.10219	2.9
233.07753	0.8
247.09790	0.8
248.10158	1.6
249.10808	0.7
275.09241	10.4
310.15500	0.6
327.21945	1.1
328.16495	1.6
328.41476	0.5
346.17508	1.9
391.18182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51488	0.4
59.01370	3.0
61.98826	100.0
71.01376	13.3
71.27007	0.4
71.52137	0.7
72.23266	0.4
72.99306	1.0
79.95750	0.4
89.36175	0.5
96.96040	0.6
97.06582	0.8
105.03465	0.7
115.00370	5.4
133.01445	4.1
133.02957	4.3
134.03781	6.7
135.04582	3.7
137.02443	1.4
159.04558	0.7
161.02444	0.8
162.03238	1.6
177.01926	2.3
178.02725	3.9
179.03326	3.7
186.06996	0.5
187.07565	1.7
188.07912	0.5
201.05545	1.0
202.05952	1.0
203.07147	0.8
204.07483	1.0
205.08678	0.7
215.07115	1.4
229.08647	0.9
230.09032	0.9
231.10110	3.6
233.08090	0.6
247.09799	1.3
248.10048	2.2
275.09210	9.4
310.15384	0.7
327.21808	1.3
328.16458	2.1
346.17352	1.1
407.11337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
61.88310	0.3
61.98827	100.0
67.26077	0.3
70.60033	0.9
71.01376	3.6
72.63065	0.3
90.54143	0.3
96.96015	0.3
115.00336	1.4
133.01424	1.2
133.02975	1.3
134.03763	1.8
135.04536	0.7
161.02486	0.3
162.03224	0.6
178.02664	0.5
179.03488	0.7
187.07643	0.4
204.44135	0.3
214.97090	0.5
215.07143	0.4
231.10265	0.9
275.09213	3.3
318.37219	0.3
327.21814	0.3
390.17120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73626	0.5
61.98827	100.0
62.85976	0.5
69.70190	2.8
71.01385	2.0
72.05939	0.4
74.31102	0.4
80.18906	0.4
90.02489	0.4
98.19910	0.9
104.88228	0.5
115.00393	1.1
133.01404	0.7
133.02992	1.3
134.03777	1.1
177.01900	0.6
178.02681	1.0
187.07571	0.6
231.10307	0.5
232.47511	0.5
234.42854	0.5
269.65094	0.6
275.09348	1.7
379.99902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59711	0.7
55.37306	0.9
69.89742	1.5
69.90136	1.9
71.01382	18.1
72.99310	3.2
87.00874	2.2
89.02436	2.6
97.94806	0.7
98.20580	1.1
102.66994	0.8
115.00365	44.0
119.10910	0.7
133.01425	100.0
134.01765	3.2
149.59184	0.9
158.03778	1.0
159.04488	2.6
171.04109	0.8
172.05260	2.8
173.06061	3.1
174.06827	1.4
187.04050	1.6
187.07645	25.4
188.07942	1.9
200.04691	0.9
201.05579	3.1
202.06367	8.1
203.10793	1.8
213.09256	5.3
215.07056	3.6
216.07782	1.6
231.10240	19.3
232.10551	1.4
257.08167	2.2
275.09229	30.3
276.09543	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67845	0.6
69.81456	1.9
69.81868	2.1
71.01376	36.9
77.03961	1.4
89.03961	0.8
95.05038	2.0
97.06568	1.7
105.03452	6.8
106.48699	0.7
115.00362	14.4
117.03475	2.5
123.04523	1.7
133.02950	21.2
134.03731	40.2
135.04562	8.5
137.02409	3.7
142.27930	0.8
145.02951	1.7
149.02449	0.8
161.02437	4.7
162.03215	12.9
177.01930	12.5
178.02684	7.8
187.07613	1.5
190.93353	0.8
203.10704	1.5
231.10245	28.2
232.10608	2.0
275.09232	100.0
276.09595	8.5
279.75119	0.8
311.33093	0.9
346.61435	0.8
369.80328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34486	0.5
59.01379	10.9
60.01714	0.5
61.23880	0.6
61.98812	2.6
64.56148	0.5
70.35810	2.0
71.01379	22.0
72.01695	0.8
72.99312	2.1
73.02938	0.8
73.96317	0.6
74.99098	0.8
79.95715	1.2
85.02935	0.9
87.00865	1.4
88.04033	0.8
89.02414	2.3
95.95246	0.9
96.95993	5.7
98.95578	0.7
101.02445	1.7
113.02435	1.3
114.05579	0.7
115.00366	30.3
123.04541	0.7
130.08740	0.5
133.01425	47.8
134.01768	1.3
134.03723	1.3
134.06088	1.5
135.04536	1.1
143.04990	0.7
143.07076	0.7
145.06569	1.1
150.03191	2.1
157.02933	0.6
159.04401	0.7
161.02505	1.0
161.04568	0.7
165.05534	1.7
171.04526	4.0
172.05296	14.7
173.06042	8.9
174.03192	0.9
175.03920	0.8
185.06001	1.3
187.03976	3.4
188.04715	0.7
193.05032	1.6
193.33838	0.7
195.06628	0.9
196.05302	2.4
199.03929	1.3
200.04787	2.5
201.05544	1.4
201.09154	1.3
203.03474	1.1
204.04291	4.3
209.11745	1.1
211.07611	3.4
215.03447	0.8
215.07133	0.8
216.04265	2.3
217.05000	1.2
229.04993	1.2
229.08662	33.8
230.08963	2.2
244.03677	1.2
247.09686	2.9
248.03282	1.3
253.12753	0.7
256.99707	1.1
273.07651	100.0
274.07959	8.8
329.16095	0.9
345.10919	0.6
389.09247	1.1
389.13040	0.9
389.17755	5.4
390.17227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95490	0.3
59.01366	1.2
60.58475	0.4
71.01378	7.6
72.99299	1.1
89.02402	0.6
98.20750	0.6
115.00372	19.0
133.01424	18.2
186.06894	0.9
200.08392	0.4
201.09169	2.0
213.05525	0.4
214.06325	12.8
215.06697	0.9
227.07127	1.3
229.08670	100.0
230.09006	7.9
230.11203	0.6
240.04269	1.2
246.05301	5.4
255.06601	6.6
256.06870	0.7
273.07660	27.0
274.08005	2.4
389.08701	1.8
394.60175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28277	2.6
52.72219	2.2
56.88195	2.1
58.00587	2.4
59.01377	100.0
61.98825	24.4
71.01379	75.0
72.99289	2.5
83.01395	3.2
85.02951	11.4
87.00874	4.5
88.98796	7.2
89.02438	89.1
90.02733	2.3
95.01376	5.7
96.96011	5.3
101.02438	32.6
102.00127	2.8
112.38634	2.1
113.02432	28.1
115.00359	4.3
119.03498	31.4
128.03532	5.2
133.01439	3.9
143.03485	5.7
143.04562	5.2
149.04564	4.1
161.04532	7.4
165.04207	2.7
173.20798	2.2
179.05612	21.5
185.30832	2.4
236.88303	2.7
256.84915	2.1
273.07675	7.3
306.07678	5.9
345.11008	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35533	0.4
55.79226	0.4
58.34136	0.4
59.01377	100.0
60.01715	1.2
61.98820	0.7
62.07383	0.4
69.68266	1.7
69.68682	0.9
73.94227	0.4
79.95761	0.5
80.96513	1.9
94.98114	0.6
107.41673	0.4
197.11839	0.7
212.13672	0.4
225.00902	0.6
237.22385	0.7
255.23380	0.8
292.07285	0.4
329.07321	0.5
389.18930	2.4
390.19818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.67983	1.0
143.68997	0.9
167.76753	0.9
167.81851	0.8
283.62198	0.9
336.31992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93824	36.0
59.01377	50.0
59.78536	35.1
61.98828	61.6
70.57781	100.0
88.57163	31.2
103.62931	31.6
104.66227	37.9
125.92524	42.2
162.76375	37.5
251.86369	35.9
273.05710	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.2
61.98828	2.1
75.71561	0.7
84.24609	0.9
84.48063	0.8
98.20667	2.6
151.39063	0.9
235.20753	0.9
253.21696	6.2
265.55014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05227	1.3
59.01381	6.4
61.98824	18.1
64.85634	1.5
69.82993	6.1
71.01371	7.3
73.02965	1.5
76.83820	1.1
78.04415	1.2
78.64648	1.4
81.38910	1.3
82.23093	1.3
85.02938	2.2
87.00865	1.1
89.51990	1.2
96.95984	2.0
101.02429	3.8
101.03946	4.7
113.02478	2.3
114.93009	1.2
117.03468	2.6
119.05022	100.0
120.05378	4.4
133.01434	2.7
142.29234	1.3
161.04539	4.7
163.04016	6.1
191.05725	3.3
193.04855	1.3
239.18343	1.3
272.15979	1.9
307.23764	1.8
325.09280	29.8
326.09711	3.0
346.26871	1.3
359.50363	1.2
363.28342	1.3
388.17252	1.7
389.18069	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	388.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
61.98830	100.0
71.01382	1.6
71.49877	0.7
73.04095	0.6
73.74849	0.4
74.02471	0.5
75.00891	0.6
85.02959	0.7
87.05625	0.6
89.02452	1.9
92.05629	0.4
96.96032	1.0
96.97013	0.7
101.02441	1.0
115.00388	0.7
117.06763	0.5
119.03472	0.4
122.02505	0.7
133.01434	0.8
138.05586	1.2
139.91119	0.4
143.07097	0.6
169.09962	0.4
187.06137	1.2
200.14099	0.8
226.08069	0.5
235.80638	0.4
273.07736	1.2
301.14963	0.6
345.17700	1.1
388.18521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57671	0.2
59.01373	1.0
61.33442	0.2
61.98827	100.0
69.28020	1.9
69.30452	0.2
71.01389	0.4
72.99287	0.3
87.00891	1.0
104.35361	0.2
133.02939	2.3
134.03709	2.1
135.04530	0.3
137.02481	1.0
139.04039	0.4
172.05261	0.2
173.06172	0.3
174.06967	0.2
177.01913	1.1
178.02707	3.5
186.06868	0.4
187.07695	0.7
201.05603	0.7
201.09241	0.4
203.07228	0.6
205.08730	0.5
211.13466	0.9
214.06430	0.9
215.07166	0.5
229.08743	0.7
230.09503	0.7
232.07451	0.3
247.09729	1.1
248.10614	0.8
309.14926	0.3
327.16089	0.7
345.17047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
57.03448	7.9
58.00593	1.8
59.01378	65.8
60.01710	1.3
61.98808	3.1
65.84099	0.9
69.03440	2.1
71.01380	48.3
71.05001	1.8
71.51886	1.2
72.01688	1.5
72.99306	2.2
73.02947	16.4
75.00851	1.2
83.01377	5.6
83.05004	2.4
85.02944	11.3
85.76272	1.1
87.00877	2.3
87.04507	22.2
89.02453	9.9
95.01370	1.8
95.05028	1.4
96.95998	16.0
97.06598	1.9
99.00886	1.3
99.04504	2.0
100.87962	1.2
101.02444	19.3
101.06020	1.0
106.75381	0.9
113.02466	8.7
113.06071	1.4
115.00369	15.4
119.03492	4.4
121.10222	11.4
123.08131	1.7
125.02417	1.4
131.03485	1.4
132.04503	1.2
133.01424	8.0
133.02940	1.3
135.04500	3.0
139.07648	3.4
139.11232	1.4
143.03566	1.4
150.05702	1.1
155.10739	2.9
161.04555	7.7
165.09183	9.6
179.03481	1.4
180.06522	1.5
183.10220	3.8
191.05565	2.5
195.10139	1.1
199.09679	1.5
211.05965	1.3
225.14958	1.4
226.08662	3.5
227.07188	1.1
227.09109	6.7
253.14592	2.3
269.13895	1.0
270.07672	2.3
271.08041	7.4
271.15500	100.0
272.15866	9.7
301.16504	4.2
327.14386	3.4
345.15518	1.6
378.29199	1.0
379.14185	1.6
387.12280	11.3
387.16660	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74219	0.2
52.60233	0.2
59.01380	2.4
61.98825	1.3
62.74764	0.2
71.01376	12.4
71.05006	0.6
72.01723	0.3
73.02897	0.2
83.05018	1.0
85.06523	0.3
96.95995	0.8
97.06580	0.4
98.95586	2.0
98.96410	0.3
99.04462	0.2
101.02415	0.4
109.06628	0.3
111.08159	1.9
115.00364	6.8
117.43923	0.2
127.11269	2.5
133.01418	1.2
137.02507	0.3
139.11263	1.0
145.40962	0.3
181.15915	0.7
183.17526	3.1
200.49672	0.2
227.16501	100.0
228.16830	7.8
271.19125	15.0
272.19440	1.5
327.21671	0.7
333.62103	0.3
387.14606	3.1
387.23938	0.4
388.15195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36636	0.2
55.01871	1.0
57.03441	1.0
58.00584	0.3
59.01378	100.0
60.01712	1.3
61.98828	1.5
64.52013	0.2
69.03466	0.2
69.67440	1.0
71.01381	10.9
71.05034	0.2
72.01714	0.3
72.26875	0.2
72.99316	0.6
73.02944	4.2
75.00861	0.2
83.01382	3.2
83.01829	0.3
85.02948	6.6
86.00101	0.7
87.00893	0.6
89.02464	0.7
95.01401	0.8
96.96003	0.3
97.02955	0.5
98.95581	0.2
99.00874	2.2
101.02439	9.6
102.02767	0.2
111.00893	0.6
113.02445	4.0
115.00331	0.3
118.81786	0.2
119.03504	0.4
125.02504	0.3
129.02026	0.3
137.02515	0.2
143.03506	0.3
159.03015	0.7
161.04633	1.1
171.10249	0.5
183.13889	1.7
195.24681	0.2
208.72386	0.2
219.67133	0.2
227.16515	0.2
271.19077	0.3
311.10449	0.2
327.18088	8.3
328.18625	0.8
345.19153	24.8
346.19510	2.8
387.15302	0.8
387.20364	3.0
388.20724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67159	36.3
59.01375	46.6
60.97820	39.3
61.98808	58.1
65.22285	42.8
98.19885	100.0
103.96418	43.0
106.92653	38.6
115.40147	41.0
135.70023	41.2
368.86835	37.8
387.14511	54.3
387.23752	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1328
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
57.03448	0.5
59.01379	9.4
61.98827	1.6
69.37932	2.3
71.01377	7.7
71.01775	0.4
71.05019	0.4
72.99302	1.0
73.02943	1.9
74.02427	0.4
76.17999	0.3
79.67935	0.3
79.95729	2.3
80.04849	0.3
80.96493	1.7
83.01384	0.7
85.02935	2.4
87.00884	0.5
89.02447	5.0
95.95225	1.9
96.96003	60.0
101.02440	3.1
113.02438	2.2
115.00373	1.0
119.03489	2.5
119.97791	0.3
122.60019	0.3
122.97575	1.1
123.08152	0.4
123.57144	0.4
125.02417	0.4
131.03548	0.3
133.01387	0.8
135.04477	0.3
136.53049	0.3
138.97084	1.1
143.03482	0.6
150.97054	1.8
152.98621	0.4
161.04520	1.0
164.98648	0.4
171.10222	0.7
179.05653	0.9
180.98149	0.8
198.99118	0.4
225.15089	0.4
241.00272	4.4
245.09296	0.3
271.15479	5.6
272.15707	0.6
307.93866	0.3
387.13257	100.0
388.13571	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	387.1559
Annotation	GS-3
Peak:m/z	Relative Intensity
57.03445	1.0
59.01379	14.0
71.01373	5.9
71.51897	0.5
73.02943	1.4
79.95725	0.7
83.01365	1.2
85.02942	2.2
89.02440	2.7
94.06599	1.6
96.96001	7.1
99.00807	0.6
101.02432	3.2
107.03759	9.0
109.93043	0.5
113.02444	1.4
115.00342	1.9
116.05035	0.7
119.03477	0.8
120.04540	0.8
121.02986	0.6
121.05329	0.8
122.06116	48.5
123.06443	2.1
129.09216	0.9
130.02948	3.4
131.03735	4.4
132.04550	9.0
133.01421	1.4
133.02962	0.6
134.03645	0.6
134.06087	2.0
135.04538	0.8
139.02734	2.9
144.00876	0.5
146.06105	2.1
147.03252	1.0
148.04050	1.9
150.05539	0.6
152.07159	100.0
153.07491	4.2
155.10799	0.9
158.02458	12.2
160.04045	2.0
162.05595	6.3
164.07088	1.1
164.84923	0.6
169.08778	0.6
174.01978	0.8
175.02751	0.5
176.03474	1.3
179.03534	1.1
183.10228	0.7
188.03133	0.6
190.05081	49.9
191.05431	2.6
203.25327	0.6
210.31804	0.8
222.07690	40.7
223.08078	2.2
225.11380	0.7
225.14999	0.7
227.07124	1.7
234.07805	1.2
263.14868	0.8
269.14087	0.8
271.06073	0.7
271.15210	2.0
272.18671	4.3
323.10599	0.6
327.21582	0.8
340.10577	0.6
345.22760	2.9
355.12939	4.4
359.16101	1.3
387.15674	93.3
387.19833	5.5
387.24026	7.9
388.15900	11.8
388.24139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03425	0.9
58.00585	1.4
59.01376	75.0
60.01700	1.1
61.98834	1.1
63.69312	0.6
69.44578	1.0
69.44981	3.4
71.01375	18.8
72.99320	2.5
73.02947	2.2
73.04099	0.8
74.02477	1.6
74.99097	1.5
75.00862	0.7
77.50912	0.6
77.74796	0.6
78.95920	0.9
80.20478	0.5
83.01385	1.3
85.02959	4.2
87.00892	1.1
89.02440	13.8
89.02952	1.0
93.03469	2.7
95.01406	1.9
95.06114	0.7
96.96012	9.9
99.00887	1.0
101.02437	11.6
109.06588	1.6
113.02444	6.7
115.00392	2.5
119.03472	5.1
125.02474	1.1
128.03514	1.1
133.01451	1.6
137.02438	7.2
139.00418	0.6
149.02457	0.7
152.01154	0.7
153.64371	0.6
159.10321	0.8
161.04628	0.9
163.11281	36.8
164.11594	3.1
182.05949	1.1
185.64847	0.7
189.12831	0.7
191.05576	0.8
207.07028	0.7
207.10216	3.2
224.06587	0.7
225.07838	1.4
233.09982	1.5
249.06210	1.1
253.10919	1.3
254.07784	2.3
271.12015	0.8
271.15558	3.3
357.21582	1.3
387.16736	100.0
388.16992	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89064	0.7
55.01890	0.7
58.00597	0.8
59.01376	46.2
60.01704	1.0
60.30431	0.6
70.36076	1.5
70.36485	1.4
71.01382	15.9
72.99318	1.7
73.02945	1.7
79.95750	2.1
80.96523	1.9
83.01387	1.9
85.02943	4.2
87.00854	1.8
89.02444	15.0
95.01399	0.8
96.96006	84.8
101.02438	7.7
104.76724	0.6
113.02447	5.3
115.00351	1.4
119.03498	5.3
122.97561	1.3
133.01398	1.1
137.02455	1.1
138.97054	2.0
143.03476	1.0
150.97101	1.5
161.04550	1.7
163.11317	4.0
177.86154	0.7
179.05644	1.7
180.98105	1.1
191.05595	1.1
194.02008	0.7
207.10277	6.1
235.02948	0.7
241.00203	4.2
242.25208	0.7
271.15527	1.4
304.81061	0.7
317.35364	0.8
325.16290	0.9
387.13208	100.0
387.16946	30.1
388.12848	9.4
388.17157	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
56.74379	0.4
59.01376	15.5
61.98832	5.7
70.55618	1.4
71.01382	2.9
72.99315	0.5
73.04073	0.6
74.02491	2.0
82.39304	0.5
85.02957	1.4
87.05670	0.7
88.04067	1.0
89.02464	1.4
93.03454	1.1
96.96022	1.8
101.02476	1.4
105.36131	0.5
109.02952	3.6
113.02448	0.9
115.00354	0.8
115.05114	0.5
115.08875	0.5
120.08313	0.7
121.02952	30.7
122.02485	1.6
122.03728	2.2
123.04536	0.6
126.80910	0.5
128.03555	0.8
133.01486	0.7
134.07906	0.5
137.02429	0.6
137.06105	0.8
138.82948	0.5
143.11952	0.5
145.06677	0.7
149.02400	0.5
162.21703	0.4
163.07657	7.2
163.11275	1.5
164.08034	0.5
165.05565	100.0
166.05867	5.1
177.01862	0.7
179.07051	0.5
183.10205	0.5
203.25935	0.5
207.06523	1.3
225.07671	100.0
226.08011	7.3
267.08746	0.6
301.14655	0.8
310.78506	0.5
327.10837	0.7
343.19763	1.3
362.03802	0.5
387.12836	43.2
387.22653	1.9
388.13199	5.2
388.17502	1.1
388.22858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1327
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
58.00583	0.8
59.01379	22.7
59.62679	0.5
69.98282	0.6
70.51314	1.0
71.01382	8.1
72.99326	1.0
73.02959	1.0
79.95747	2.7
80.96513	1.6
83.01385	0.8
85.02937	1.8
89.02442	5.5
93.03448	0.8
95.01382	0.7
96.96011	83.4
101.02449	3.6
109.12234	0.5
113.02435	2.7
115.00320	0.8
119.03486	2.1
121.02966	3.8
122.97535	0.6
133.01436	0.6
137.02483	0.8
138.97057	1.5
150.97044	1.7
152.98575	0.5
163.11267	1.3
164.98589	0.7
180.98048	1.2
181.05045	0.5
207.10252	3.6
207.25645	0.5
241.00244	3.8
271.15265	0.5
355.23770	0.5
359.06540	0.4
387.12958	100.0
388.13309	10.3
388.17340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69045	0.3
56.22966	0.3
57.03440	1.1
57.74846	0.3
59.01376	12.6
61.98823	2.6
68.22247	0.3
68.99810	0.4
69.03439	0.6
71.01378	7.5
71.50912	0.4
72.99299	0.8
73.02939	2.1
75.00881	1.5
81.03453	0.6
83.01370	0.6
83.04987	0.4
83.95003	0.3
85.02939	2.6
87.00856	0.9
89.02438	3.0
93.03453	46.7
94.03806	1.5
95.01386	0.6
95.95185	0.3
96.96012	4.2
98.95592	2.5
98.96251	0.3
99.00866	1.1
101.02442	1.8
113.02457	3.2
115.00349	3.2
119.03513	0.9
120.01244	0.5
123.04506	0.6
123.08189	0.4
128.03487	0.4
130.08728	0.5
133.01414	1.3
135.04559	0.4
137.02435	100.0
137.09723	0.6
138.02774	5.1
143.03510	0.4
143.11996	0.3
151.03992	0.4
159.07715	1.3
161.04630	0.7
162.88292	0.3
163.11295	0.6
179.05598	0.5
179.10767	1.0
180.11148	0.6
181.05067	0.3
181.11208	0.5
187.11002	0.3
205.12366	0.5
207.13857	0.5
225.15092	0.6
249.06123	21.1
250.06468	1.0
251.13068	0.4
256.20355	0.4
267.07162	0.3
271.12405	0.5
271.15475	13.0
272.15884	1.2
290.84265	0.3
387.09348	2.6
387.13556	3.2
387.22458	1.1
388.09814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	0.9
59.01374	5.7
61.98827	1.0
62.36683	0.5
69.46601	2.9
71.01381	16.3
71.01782	0.8
72.00905	1.0
72.04538	1.8
72.99303	1.9
73.02927	1.1
79.95772	0.6
84.04536	0.8
86.02477	5.7
87.00890	0.6
89.02442	2.1
96.96011	4.3
100.04050	0.6
101.02446	0.8
115.00368	28.0
123.08127	0.5
125.45101	0.4
133.01428	34.8
134.01781	0.9
135.04491	0.7
165.12808	1.4
167.14441	3.1
179.78375	0.5
182.15503	1.9
183.13925	2.9
193.05098	0.5
196.17023	1.8
206.15503	3.2
208.17104	1.0
216.04907	0.5
224.16548	48.0
225.11353	0.7
225.16893	3.0
226.18108	70.6
227.18416	6.5
270.17087	100.0
271.17551	9.0
283.21799	0.5
307.10379	0.5
386.18719	1.7
387.14633	2.4
387.23865	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.9
61.98825	100.0
70.85124	0.5
71.01379	2.3
71.51611	0.8
73.02978	0.5
77.21697	0.5
96.95998	5.7
97.95980	0.8
102.84702	0.5
131.68134	0.5
161.06062	0.6
179.14136	0.5
225.11368	0.8
271.19263	1.2
345.18787	0.9
356.85614	0.6
386.15704	9.5
387.15378	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
55.18893	1.5
58.00299	1.4
58.00587	2.9
59.01376	38.6
61.98825	20.4
71.01376	23.7
71.50518	3.2
72.99295	4.0
75.00848	3.7
83.01372	2.8
84.04491	1.5
85.02931	3.6
87.00872	10.1
89.02451	15.5
96.95995	3.6
98.24767	1.4
99.00889	7.2
101.02435	9.9
103.13218	1.5
112.98806	6.1
113.02432	6.9
115.00365	40.9
117.01911	3.9
119.03479	3.4
121.02942	4.7
127.05148	2.0
128.03510	5.7
129.01930	1.6
130.08716	5.1
131.96443	1.7
137.02475	2.4
142.99850	100.0
144.00145	3.2
145.01419	16.9
145.06194	4.8
152.91759	3.7
161.00862	5.3
161.04539	2.3
165.05547	13.7
175.02434	7.9
177.01849	2.8
179.05609	4.9
180.10249	2.5
184.97787	2.3
200.97290	2.8
215.01852	3.0
225.07620	16.1
260.96191	2.0
300.95364	3.9
319.03000	5.5
341.10858	22.4
342.11307	2.3
344.94705	2.3
351.05640	4.9
369.21414	3.6
376.92511	1.7
387.12927	6.9
387.18668	7.4
387.22888	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33420	0.4
54.43305	0.4
57.03455	0.6
59.01372	1.2
61.98814	1.7
66.33271	0.4
70.39891	0.5
70.99060	0.9
73.42549	0.5
75.00887	0.5
84.86555	0.4
91.03986	1.1
97.06630	0.5
99.08186	0.4
113.09715	0.4
115.07650	1.1
128.08382	0.7
131.08246	1.1
134.93059	0.4
143.12909	0.5
167.14403	2.3
183.13890	3.0
195.13876	11.7
196.14165	0.6
211.13370	1.0
213.14888	0.8
242.15256	1.1
249.21989	0.6
265.21771	0.6
267.23032	0.7
283.22864	0.5
293.21182	11.9
294.21585	1.0
306.73611	0.4
311.22235	100.0
312.22620	10.0
331.12448	0.5
347.96774	0.5
371.11502	0.4
385.21121	0.6
385.25809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14421	1.1
56.83605	1.0
59.01381	2.7
61.98829	100.0
71.35812	2.0
187.11713	1.1
233.67555	1.1
279.42529	1.1
372.74237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29116	0.4
59.01382	1.0
61.98828	100.0
62.98536	0.5
69.84303	2.6
71.01393	0.8
83.05017	0.5
87.42348	0.4
90.37894	0.5
98.20607	0.6
256.40756	0.5
257.08414	0.5
312.22421	0.7
313.23901	1.2
323.18762	2.9
385.06781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94878	0.2
59.01370	0.3
61.98827	100.0
69.42071	1.8
73.98363	0.3
98.20621	0.3
130.08728	4.2
209.08783	0.2
263.09009	0.2
322.20206	2.6
363.13919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01383	1.9
61.98816	0.7
71.01365	0.4
71.51599	0.3
75.00869	0.4
89.02428	0.3
91.03996	1.5
97.06564	0.3
113.09772	0.6
115.07654	0.9
121.02939	1.9
127.07632	0.4
128.08441	0.7
139.11256	0.3
141.09189	0.3
167.14406	2.6
168.14914	0.3
174.53719	0.3
175.78276	0.2
183.13904	2.2
195.13895	10.6
196.14275	0.4
202.29657	0.3
209.11795	0.3
211.13387	1.1
213.14995	1.2
239.23869	0.3
241.14445	0.4
242.15225	1.3
249.22133	1.3
250.22775	0.3
265.21704	0.6
267.23276	0.8
275.19955	0.5
283.22931	0.4
289.18210	0.3
293.21225	10.6
294.21478	1.0
309.20544	0.3
311.22250	100.0
312.22604	10.3
313.07178	0.5
385.08594	0.4
385.26028	1.6
399.77216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.36794	0.7
55.01849	1.1
57.03437	2.6
58.00591	1.4
59.01376	100.0
60.01709	1.5
61.68279	0.9
61.98829	0.9
69.23797	6.4
71.01378	42.6
72.01728	0.9
72.99310	3.3
73.02941	5.3
75.00888	1.3
83.01388	1.3
85.02943	5.8
87.00930	1.9
89.02440	25.8
91.85626	0.8
95.01398	1.5
96.65104	0.8
96.96014	1.2
97.06626	0.9
98.20609	1.4
99.00813	1.0
99.04518	2.1
101.02436	17.4
107.08676	1.4
111.08120	0.7
113.02448	10.0
113.09711	0.8
115.00362	17.2
119.03492	10.6
123.08171	1.5
125.09725	1.9
133.01425	18.0
135.03018	2.9
137.09706	1.3
143.03465	1.5
149.04472	1.3
153.09192	1.7
155.10805	3.0
161.04634	1.7
161.13298	5.3
165.12849	4.1
179.05685	2.0
179.10757	1.0
181.12387	1.6
205.12323	12.6
207.13853	5.9
208.14223	0.9
209.11804	5.9
217.10780	1.6
223.13483	2.0
225.14955	3.7
251.12947	1.2
263.14954	3.7
269.13925	80.7
269.17429	6.7
270.14279	6.1
305.16299	0.7
325.20166	2.4
338.95059	0.9
343.21240	8.8
343.25055	1.1
353.13828	1.0
369.17068	0.7
385.18677	35.6
385.22610	8.4
386.19034	3.3
386.23148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
59.01380	2.5
61.98798	0.4
69.03445	0.7
71.01378	18.7
71.52207	0.5
73.02940	83.0
74.03284	1.4
96.96024	0.6
105.07100	0.5
115.00365	17.4
125.09664	0.6
133.01419	4.0
174.32251	0.4
179.10712	1.1
195.13887	2.6
205.12288	0.7
247.05690	0.4
269.17551	100.0
270.17908	8.8
310.24188	0.4
343.21240	0.5
353.14008	0.6
385.12839	0.5
385.18201	0.6
385.22574	0.7
409.46472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89968	0.6
55.01866	0.9
57.03428	2.2
58.00581	1.3
59.01377	88.4
64.06407	0.6
69.35863	5.5
71.01378	33.4
71.05006	0.8
72.99300	2.4
73.02938	4.4
75.00857	1.0
76.80491	0.6
81.03445	0.7
83.01381	1.3
83.05032	0.9
85.02953	4.1
85.20745	0.7
86.20779	0.7
87.00889	1.8
89.02436	19.0
95.01391	1.9
97.06605	1.2
99.04502	2.8
101.02445	12.9
113.02440	6.2
115.00366	20.1
119.03514	7.4
119.45024	0.8
123.08179	1.3
125.09727	2.0
128.98972	0.8
133.01428	26.0
135.03011	2.0
143.03508	1.1
153.09178	1.7
155.10776	1.8
161.04523	0.8
161.13359	2.8
165.12804	3.6
167.10770	1.0
179.05551	0.9
179.10680	0.8
205.12294	7.2
207.13890	6.9
209.11804	6.6
217.10803	1.8
223.13385	1.5
225.14893	4.4
251.12820	3.2
263.14984	1.7
269.13928	100.0
269.17322	8.0
270.14261	8.2
319.13373	0.6
325.20190	3.4
343.21231	12.1
344.21426	0.9
353.14182	1.0
385.18585	26.3
385.22516	13.1
386.18976	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
56.49369	0.4
57.03440	3.8
58.00603	2.3
59.01376	58.0
60.01716	0.8
60.99282	0.6
61.98822	0.9
64.80869	0.4
66.92466	0.4
69.03450	0.6
69.67509	1.5
69.67915	0.9
71.01379	65.4
72.01729	1.1
72.99298	3.1
73.02942	11.8
81.03446	0.5
83.01376	4.7
83.05022	1.2
85.02946	20.7
85.06459	0.4
87.00858	2.4
88.47994	0.5
89.02441	32.1
90.02799	0.7
95.01385	5.1
95.05015	2.3
96.96021	4.5
97.02962	5.5
97.06618	0.4
99.00886	5.3
101.02438	33.2
101.70889	0.4
102.02789	0.5
105.07125	1.1
107.05042	0.8
108.05792	2.4
109.02968	0.8
109.06607	1.7
111.04525	1.1
111.08199	0.6
112.90196	0.4
113.02447	26.5
113.06084	3.3
114.02795	0.6
115.00409	0.6
119.03497	11.4
121.06574	1.2
122.03741	2.0
123.08158	4.2
124.05362	0.6
125.02428	1.1
125.06076	3.5
129.01936	0.8
131.03494	1.0
133.01454	0.8
135.08170	1.2
136.05301	2.5
137.06056	1.8
138.06863	22.0
139.07652	10.1
143.03508	2.2
143.52003	0.4
147.08122	0.9
149.04477	0.9
149.05949	0.6
151.07643	23.8
152.04834	3.3
152.08427	45.7
153.09206	100.0
154.09540	5.8
159.02975	4.5
161.04546	20.8
161.09703	1.1
162.04945	0.8
163.11290	3.1
165.09259	2.6
167.07115	1.7
179.05605	3.7
179.10701	0.5
187.11275	0.7
189.09225	1.5
190.09962	1.5
205.12317	34.1
206.12668	1.8
223.13365	17.1
224.13727	1.5
225.55339	0.5
315.78372	0.5
385.11694	6.4
385.18674	10.9
386.12094	0.7
386.18954	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68372	0.3
59.01377	2.6
60.03571	0.2
61.98827	6.9
71.01373	2.1
72.99302	0.3
73.02915	0.5
74.94673	0.3
75.18858	0.3
79.95730	2.3
80.96519	1.5
83.01393	0.5
85.02934	1.2
87.00880	0.3
89.02367	0.4
96.96002	81.1
98.20654	0.8
99.00842	0.4
101.02407	1.1
113.02390	0.3
114.38747	0.3
120.99630	0.4
122.97578	1.4
138.97079	1.2
150.65280	0.3
150.97041	1.2
164.98686	0.3
168.98117	0.3
180.98073	0.8
198.99144	0.7
241.00201	3.0
269.17346	0.3
293.87488	0.3
309.14816	0.5
343.24576	0.6
385.15335	100.0
386.15677	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	385.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62008	5.1
53.42059	5.2
59.01375	13.9
61.98832	8.9
71.43113	6.8
72.34087	5.2
86.02586	4.7
93.77451	4.8
121.97620	5.0
181.12257	5.5
207.78043	4.7
270.18283	5.9
280.55453	5.2
293.21164	7.8
311.22275	100.0
312.22659	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01375	46.3
60.01705	0.6
61.14163	0.7
68.83211	0.6
69.67084	3.6
71.01376	12.9
83.05035	1.5
87.00871	2.6
89.02428	2.2
96.85626	0.6
98.19932	1.2
101.02421	1.8
109.68476	0.6
113.02435	1.3
115.00364	10.0
119.03451	0.9
131.82501	0.6
133.01431	4.7
134.66049	0.6
148.05324	0.8
163.07547	0.9
163.14970	0.8
165.12831	11.4
165.50436	0.6
181.12314	2.3
182.19690	0.6
205.12416	0.7
207.13850	5.7
209.11815	11.1
210.12065	0.8
225.14911	4.3
225.16858	0.6
226.89589	0.6
251.12811	1.6
269.13913	100.0
270.14319	8.5
304.09070	0.6
324.61310	0.7
385.14850	1.2
385.18707	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.00602	1.1
59.01376	61.8
61.98816	0.6
63.56434	0.6
70.12036	1.8
71.01379	22.8
72.99278	1.8
73.02943	4.3
83.01381	0.9
85.01790	0.6
85.02936	2.1
87.00882	0.9
89.02437	8.7
89.77603	0.7
96.96011	1.1
97.06585	0.9
98.20601	1.0
99.04504	3.2
99.75230	0.6
101.02435	5.2
104.66341	0.7
113.02474	3.1
115.00367	20.9
119.03493	4.1
123.08195	1.1
125.09723	2.0
133.01424	24.6
135.03014	2.0
153.09203	1.6
155.10727	2.2
161.13356	1.9
163.11247	1.0
165.12863	4.8
167.10712	0.8
179.10759	0.7
189.95523	0.6
195.13818	1.6
205.12283	3.0
207.13901	5.4
209.11806	7.5
217.10832	1.8
223.13391	1.6
225.12807	0.7
225.14902	3.3
251.12843	2.5
267.16223	0.7
269.13925	100.0
269.17392	9.8
270.14261	10.2
270.17413	1.2
325.20160	5.0
326.20538	0.8
343.21240	13.9
344.21667	1.8
355.13004	0.8
385.14227	1.0
385.18558	10.0
385.22412	12.1
386.18896	1.7
386.22879	2.0
400.49423	0.7
407.96262	0.7
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
57.03445	1.9
59.01378	52.0
60.01700	0.4
62.92746	0.5
64.01138	0.5
69.49316	2.0
69.49733	1.0
71.01376	11.0
72.99315	0.7
73.02954	0.6
75.00872	0.6
77.00887	0.4
84.27171	0.5
85.02951	0.7
87.00905	0.6
89.02428	1.3
96.96003	3.4
99.04514	2.5
101.02434	0.8
113.02454	0.7
115.00367	9.1
116.07204	0.9
131.29907	0.5
133.01422	3.6
135.03044	1.3
148.05341	1.1
161.04504	0.7
163.07608	0.9
165.12846	4.8
173.00993	0.9
174.01654	1.3
176.96935	0.5
181.36224	0.4
189.12828	1.0
207.13889	5.8
208.14252	0.6
209.11810	8.3
210.12131	0.6
223.13420	0.7
225.14963	3.2
241.00172	1.6
251.12914	3.6
252.13011	0.5
269.13919	100.0
270.14279	7.7
313.19751	0.5
343.21204	1.0
367.14056	0.5
385.14954	0.6
385.18658	2.5
385.22830	0.9
386.22018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72360	0.4
57.21265	0.5
59.01376	100.0
60.01712	1.4
61.98824	0.5
67.21903	0.4
67.40806	0.5
71.01382	3.8
73.02946	0.6
78.25683	0.4
80.50007	0.4
85.02934	0.8
96.95997	10.1
101.02443	0.8
102.98540	0.5
111.08167	0.6
115.00371	1.1
135.04529	1.1
156.75403	0.5
179.10754	1.1
191.35167	0.6
203.10741	0.7
226.73660	0.5
233.12126	0.4
241.00252	0.8
253.30556	0.5
269.13986	1.6
312.12439	0.8
326.07928	0.9
385.11646	9.6
386.12186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
58.96426	0.4
59.01376	30.8
69.45731	3.2
71.01376	12.7
83.05016	1.6
87.00862	2.2
96.95972	0.9
98.19890	0.7
99.04482	0.5
102.51917	0.5
105.72275	0.6
109.06557	0.7
115.00368	10.1
121.06615	0.5
124.87337	0.5
132.41423	0.5
133.01396	1.9
163.11163	0.6
165.12827	10.0
166.13170	1.1
179.10724	0.8
181.12350	1.7
191.10669	0.9
207.13876	4.8
209.11809	11.5
223.09827	0.9
225.14929	3.9
251.12802	1.8
269.13916	100.0
270.14240	9.5
385.15097	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85308	0.6
57.03440	1.7
59.01374	23.5
61.98822	0.7
69.32185	3.5
69.32610	2.2
71.01377	11.2
73.02914	0.8
83.05022	1.2
87.00871	1.2
89.02454	0.8
96.95998	1.6
97.06580	1.2
99.04510	3.9
101.02430	1.3
102.98620	1.5
115.00349	10.6
126.07457	0.7
133.01421	3.9
165.12839	10.0
166.13181	0.8
181.12318	1.6
207.13945	4.1
209.11826	17.2
210.12198	1.3
216.15085	0.7
225.14934	2.9
251.12874	3.2
252.31036	0.9
262.06848	0.7
269.13913	100.0
269.17331	5.6
270.14249	9.4
325.20120	1.2
343.21225	2.9
385.14267	1.7
385.22577	3.6
391.79755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77647	0.4
59.01376	100.0
59.41797	0.4
60.01716	1.0
68.32078	0.3
69.39173	2.7
71.01382	3.4
73.02949	0.6
75.83424	0.4
79.95746	0.5
89.02456	1.3
96.95995	2.3
101.02449	1.0
113.02439	0.6
115.00380	0.8
119.03539	0.4
130.49959	0.4
133.01416	0.6
135.04575	0.6
179.10881	0.5
181.02051	0.4
205.21350	0.4
226.08784	0.8
269.13971	1.0
270.07944	0.4
304.01520	0.4
312.12494	0.4
385.11591	0.8
385.18655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00989	1.5
50.29713	1.6
51.00664	1.9
51.31962	1.7
57.03074	1.6
58.00588	2.1
59.01377	100.0
61.98823	3.2
71.01382	52.3
71.49841	2.3
72.99329	2.3
79.01886	1.9
81.03452	5.2
85.02959	9.9
87.00870	3.1
89.02440	86.2
95.01359	1.9
99.92559	2.5
101.02437	33.9
106.58735	1.6
110.55157	1.9
110.79468	1.8
111.99844	5.0
113.02449	24.3
119.03496	35.7
128.30768	1.6
131.03487	2.5
133.01457	2.0
137.56503	2.0
143.03461	5.8
145.03316	13.3
146.76450	1.8
149.02428	8.3
149.04512	3.9
151.86821	1.7
152.01144	2.2
161.04539	12.8
164.04771	6.0
179.05652	9.7
191.05562	2.8
193.01477	3.5
208.03745	8.1
223.06099	25.0
224.06577	2.5
241.27786	1.6
325.09579	2.9
385.11749	2.2
385.99518	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15704	0.3
55.01876	1.2
57.03448	13.9
58.00591	1.4
59.01074	0.7
59.01378	21.6
61.98830	6.8
69.03457	1.4
71.01381	25.1
71.05010	0.4
71.51350	0.4
72.01707	0.7
72.99305	2.0
73.02937	4.6
75.00867	0.4
79.05518	0.4
79.95731	2.0
80.96526	0.7
83.01386	1.7
83.05043	0.4
85.02950	7.4
86.96012	0.3
87.00877	2.8
89.02444	15.5
93.03420	0.7
94.98081	0.3
95.01381	1.5
95.05026	3.1
95.95226	1.2
96.96009	43.5
97.02950	1.2
97.06581	3.0
98.38792	0.3
99.00906	1.6
99.04512	0.4
101.02442	13.7
106.04272	0.3
106.06618	0.8
107.05057	1.6
108.02125	0.6
109.02986	0.4
109.06586	5.1
111.00877	0.6
111.08168	0.3
113.02444	9.6
114.02776	0.3
115.00371	1.8
119.03502	6.4
119.08659	0.5
121.06597	1.2
122.97534	0.7
123.04521	8.3
123.08160	2.9
125.02422	0.3
125.06045	0.6
125.09711	0.4
128.03517	0.4
129.01906	0.5
130.08768	0.4
133.01416	1.3
133.49170	0.3
135.04538	1.1
135.08157	1.9
137.09720	0.7
138.06897	0.5
138.97069	0.8
143.03493	1.2
143.04492	0.3
145.06604	0.3
147.08154	6.3
149.04517	0.6
149.06073	0.9
149.09715	4.4
150.05568	0.7
150.97054	1.1
151.07645	0.4
151.10103	0.6
151.11269	6.0
151.97786	0.3
152.11559	0.5
153.09196	2.2
153.45503	0.3
159.02962	1.4
159.08099	0.5
160.08891	0.3
161.04552	11.9
161.09732	5.0
162.06824	0.3
163.07626	1.5
163.11298	2.8
164.08395	2.0
165.09160	0.5
171.08159	1.0
172.08856	0.8
173.63036	0.3
175.07643	1.0
175.11243	1.6
176.08379	1.1
176.11665	0.3
177.09149	0.4
177.12869	2.2
178.99794	0.8
179.05659	1.7
179.10768	100.0
180.11113	8.1
180.98074	0.8
181.11334	0.4
187.11275	13.6
188.08432	1.1
188.11584	1.1
189.09204	4.4
189.12785	0.3
190.09979	2.8
191.10229	0.4
194.04652	0.5
195.13901	1.9
203.10791	4.0
204.11507	2.1
205.12321	72.0
206.12657	6.5
215.10770	0.6
222.01630	0.4
223.13388	12.5
224.13675	1.0
233.11832	3.4
234.12292	0.3
240.98009	0.5
241.00209	3.3
259.13419	0.5
269.13937	1.2
277.14380	1.6
278.84561	0.3
341.16299	0.4
385.11728	55.5
385.18716	3.6
386.12106	5.1
386.17175	0.3
386.19379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71476	0.9
54.01100	0.9
55.01869	1.3
57.03431	1.1
59.01377	7.9
61.98807	2.6
62.35959	0.9
71.01377	12.2
71.04691	0.9
71.05022	7.0
71.51045	0.7
71.51575	1.4
73.02943	32.1
79.95747	1.3
81.03452	23.6
81.03932	1.5
83.05021	100.0
84.05355	2.0
85.02939	1.5
96.96008	12.6
97.06566	1.5
101.02499	1.1
108.23312	0.8
110.06113	13.8
111.04489	0.8
111.08124	1.9
113.09727	7.7
114.09240	1.4
115.00379	5.7
115.07636	29.3
116.07967	1.2
122.06122	19.8
125.06025	1.1
127.04001	9.0
133.01416	2.6
135.04445	1.2
135.69423	1.0
137.09724	1.2
138.09215	1.5
139.07620	11.2
139.11273	1.6
140.07138	1.6
140.10785	2.8
145.05074	5.8
149.09596	1.1
150.09203	1.2
150.90858	1.1
151.11229	2.5
155.10680	1.3
157.08688	89.6
158.09048	5.2
162.12976	1.0
164.10701	1.1
172.09851	0.9
179.03470	1.0
180.13901	2.1
181.12265	1.1
183.10262	2.6
184.09721	1.3
194.11884	5.3
195.10236	0.9
199.09735	96.5
200.10106	5.2
202.10765	0.9
206.11858	2.0
212.29445	0.9
224.12901	11.4
238.10757	3.3
239.11009	0.8
242.13969	2.2
269.14536	1.9
269.17545	36.3
343.21118	1.6
354.19077	1.2
384.14011	9.9
384.20154	3.1
384.24179	2.4
385.15228	9.6
385.22217	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	385.1138
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01376	4.8
61.98819	1.2
65.88416	0.8
69.66149	2.1
69.66563	3.1
71.01376	7.0
85.02943	1.3
89.02448	1.2
93.03479	1.9
96.96004	17.5
101.02457	1.1
109.02937	1.0
115.00346	2.2
119.03544	0.8
121.02934	6.3
127.97108	0.9
133.01431	2.5
134.03564	0.8
135.04489	5.1
138.97102	0.9
149.02426	31.1
150.02747	2.2
152.01151	5.8
163.04010	5.8
164.04790	25.5
165.01825	1.6
165.05153	1.6
169.05078	4.6
177.08974	0.8
179.07123	10.9
193.01399	14.8
207.10258	3.4
208.03745	37.2
209.04126	2.1
223.06091	100.0
224.06464	8.4
256.38071	0.8
268.31720	0.8
269.13928	0.9
294.60345	0.9
300.02512	1.5
385.11700	26.2
386.11969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98819	1.6
64.60535	0.8
67.58580	0.7
69.55212	5.2
71.01371	2.7
79.19667	0.8
83.05011	1.1
88.98795	3.4
89.02474	0.9
91.04008	2.2
97.06602	1.7
111.08147	1.5
113.09711	1.5
115.07651	1.9
131.39886	0.9
141.09171	0.9
144.41463	0.8
146.71304	0.8
149.66357	0.8
165.12881	2.0
167.14415	1.8
181.12349	2.5
193.12326	1.1
195.13887	2.2
197.11812	1.1
211.13377	3.9
213.14903	1.1
221.15457	3.0
233.33011	0.8
241.14409	1.0
247.20738	4.3
267.19662	1.2
273.18552	3.1
281.21237	1.0
291.19666	37.9
292.20016	4.1
304.64020	0.9
309.20700	100.0
310.21091	13.6
311.43790	1.0
314.17249	1.9
383.24478	4.7
384.24402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	0.8
61.98822	1.0
69.97520	1.6
69.97911	1.0
72.16808	0.5
335.64804	0.6
347.26068	0.6
368.86957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38426	1.1
59.01379	100.0
60.01714	1.1
61.98833	1.6
68.59278	1.0
69.25970	1.0
69.47170	1.7
69.47573	4.9
71.88720	1.1
77.77778	0.9
92.95634	1.1
98.19943	1.9
173.12640	1.0
193.71416	1.0
225.40585	1.0
282.66779	1.0
297.19449	1.0
384.22336	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01720	1.1
60.49233	0.5
60.86919	0.4
61.98820	6.5
66.59054	0.4
69.19749	1.5
69.20176	2.9
71.01380	9.3
73.02961	1.2
83.01407	0.9
85.02959	2.2
94.62905	0.5
96.91833	0.4
96.96003	4.5
98.94003	0.4
99.00882	0.9
101.02444	3.6
113.02449	1.8
115.00392	2.0
120.99619	0.5
133.01453	1.8
134.03833	0.7
135.04518	1.4
143.03528	0.4
143.25833	0.4
159.03004	0.8
161.04570	2.7
161.09750	1.2
177.01970	0.7
179.03534	0.9
179.10773	0.8
179.16345	0.5
203.10783	1.9
221.11848	1.4
223.13428	0.6
251.07365	1.2
261.13455	0.6
266.14755	0.5
267.12634	1.1
267.16077	2.4
268.12125	0.6
323.16989	3.1
383.07773	1.6
383.17538	2.6
383.30768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
57.25395	0.8
59.01375	16.2
61.98827	1.0
67.05550	0.8
69.95952	1.5
69.96336	2.4
71.01366	2.2
79.05531	2.2
80.02666	1.1
81.03449	3.0
83.05022	1.4
93.03428	0.8
93.38255	0.8
95.05024	8.1
96.95997	2.4
109.06628	1.3
119.08697	1.1
121.06546	2.0
123.04536	2.2
123.08249	0.7
135.08165	2.1
137.02422	1.0
149.09685	1.9
151.11293	2.8
159.08127	2.9
161.09705	35.9
162.10072	2.6
164.08408	8.2
179.10760	100.0
180.11067	6.4
188.08406	1.3
203.10750	15.6
204.11069	1.0
221.11855	1.4
255.69031	0.8
264.90344	0.7
283.54895	0.7
343.35294	0.9
383.13177	1.5
383.17499	2.1
395.93759	0.8
400.41812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61236	0.9
56.28578	0.8
59.01375	3.6
61.68003	1.1
61.98825	1.7
62.26522	0.9
71.01382	21.7
71.51330	1.3
73.02951	4.2
85.02950	1.9
89.02425	1.0
96.95978	1.0
115.00359	16.2
116.07175	6.4
119.82493	0.9
125.14931	0.8
133.01450	2.2
135.04500	1.1
137.09731	3.7
137.82841	1.1
153.06662	1.0
155.10797	2.8
156.48048	1.2
161.04576	1.1
163.40646	1.0
177.76833	0.9
211.14529	1.5
223.17004	79.8
224.12868	2.1
224.17366	8.0
247.83470	0.9
267.15985	100.0
268.16348	10.1
341.20663	7.6
354.56467	0.9
366.20090	3.4
383.16843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.1
59.01379	8.7
61.98823	2.2
62.18340	0.4
62.59179	0.4
71.01367	1.6
71.20943	0.5
71.21284	0.9
79.05537	3.2
80.02680	0.8
81.03455	2.7
83.05029	1.5
95.05025	7.6
96.95992	1.6
108.02165	0.5
109.06582	1.7
115.00387	0.6
119.08656	1.2
121.06578	1.8
123.04543	2.7
135.08147	2.5
137.09720	1.3
144.05843	0.7
149.09698	1.1
151.11255	2.6
159.08116	2.5
161.09708	34.0
162.10008	1.6
164.08411	8.3
177.09224	0.6
179.10762	100.0
180.11101	6.7
203.10815	0.5
213.25381	0.4
254.35706	0.4
256.02798	0.4
383.17178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09841	0.3
55.57262	0.3
55.86009	0.3
59.01371	2.9
70.26034	0.6
71.01367	3.1
72.99319	0.5
73.02920	0.4
74.76016	0.3
79.95732	3.6
80.96521	1.9
83.01386	0.4
85.02944	1.3
89.02457	0.7
91.75842	0.3
95.95242	2.0
96.96005	81.7
97.95964	0.6
101.02435	1.4
111.24426	0.3
113.02465	0.4
122.97556	1.6
138.97121	1.6
138.98071	0.3
150.97063	1.2
155.00795	0.3
157.11107	0.3
164.98581	0.8
167.29655	0.3
178.19481	0.3
180.98167	1.0
198.99126	0.4
223.17059	0.4
225.00787	0.5
241.00285	3.3
338.04480	0.4
383.13779	100.0
384.14078	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	383.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05689	2.1
58.00593	2.8
59.01374	47.3
61.98824	20.3
70.97729	3.6
71.01379	40.1
72.00914	10.6
72.99297	5.0
74.02466	9.5
75.00909	2.2
76.94431	2.2
85.02950	4.2
87.00909	2.3
88.98803	2.9
89.02441	56.5
96.96019	3.7
101.02436	14.1
113.02431	12.4
115.00357	2.5
116.05054	38.6
117.05375	2.1
119.03484	15.2
133.01416	6.3
135.04517	2.7
137.02415	3.4
141.87309	2.1
142.06604	8.7
143.03508	4.0
149.04555	1.9
159.09233	7.0
161.04568	6.1
178.08780	2.4
179.05612	14.7
179.92096	2.3
203.08243	100.0
204.08612	6.1
232.52051	2.3
236.32309	1.9
323.16837	3.1
374.86719	2.2
407.99646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
57.54057	0.9
59.01375	100.0
60.01712	1.7
61.47066	1.0
61.98809	1.0
69.38142	4.8
69.38547	3.1
71.01377	21.4
71.05018	1.6
73.42836	1.0
74.39806	0.9
87.00870	1.8
96.96007	2.5
101.50977	0.9
115.00365	15.7
123.24712	1.2
126.16396	1.1
133.01396	6.6
135.04491	1.1
152.01176	2.1
161.13313	3.3
163.11331	2.3
207.10252	1.7
223.13374	91.4
224.13741	8.4
241.25761	1.2
267.12350	54.8
268.12692	5.4
383.17242	1.7
384.46182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1378
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
56.71186	0.3
59.01383	3.2
62.44922	0.3
71.01379	2.5
71.28678	0.5
72.99300	0.5
73.02940	0.5
76.89307	0.3
79.95732	4.2
80.96507	2.3
83.01360	0.7
84.39024	0.3
85.02943	1.1
87.00875	0.4
89.02454	0.8
95.95222	2.1
96.51768	0.3
96.85231	0.3
96.96003	87.6
97.28325	0.3
98.24747	0.3
101.02406	1.4
113.02436	0.6
122.97564	1.2
128.31505	0.3
131.14063	0.3
138.97015	1.6
150.96997	1.5
152.98672	0.4
164.98590	0.7
180.98094	1.1
198.99214	0.4
200.87936	0.3
241.00214	3.3
291.93271	0.3
292.60928	0.3
383.13766	100.0
384.03162	0.3
384.14038	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70057	0.4
59.01366	2.1
68.47975	0.5
71.01367	1.8
71.07150	1.0
72.99292	0.9
75.71421	0.5
85.02946	7.3
87.00842	2.2
88.96276	0.5
93.03455	2.4
99.00866	1.0
101.02433	1.2
109.02943	0.7
111.04498	0.7
112.98807	0.6
127.04007	1.5
129.01927	0.6
142.99899	0.6
157.01820	0.5
173.00890	1.0
173.04521	1.5
191.05595	100.0
191.16968	0.4
192.05930	4.7
332.97647	0.5
340.25006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05742	1.0
57.03447	4.1
57.39596	1.0
59.01377	84.9
59.47681	0.9
61.98830	1.4
69.64676	4.4
69.65099	2.2
71.01377	23.4
71.05011	2.7
72.01747	1.0
72.40773	1.1
72.99335	1.1
83.05033	1.4
87.00851	2.7
96.96022	8.7
98.95594	1.4
115.00380	20.4
133.01431	14.0
135.04494	1.9
161.13348	2.6
163.11270	1.3
207.10201	1.2
223.13380	100.0
224.13721	6.8
235.21809	1.1
237.05583	1.1
249.15038	1.4
267.12335	43.7
267.15884	7.5
268.12686	3.5
309.09808	1.1
313.12094	1.1
335.77423	1.2
341.19647	3.4
383.07617	3.5
383.13666	9.2
383.20651	2.4
384.14145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.7
59.01374	100.0
69.44035	0.9
70.89183	1.9
70.89497	1.2
71.01373	17.4
75.11868	1.0
80.90091	1.0
82.07860	1.0
83.05012	1.1
87.00889	2.2
96.96004	5.6
115.00373	16.3
133.01408	6.5
152.01108	1.7
161.13342	3.8
205.12318	1.9
207.10257	3.7
223.13367	78.9
224.13731	6.1
233.46449	1.1
267.12344	51.7
268.12665	5.1
303.21521	1.1
383.17328	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01377	81.0
60.01701	1.4
61.98814	1.5
62.31984	0.7
69.56175	1.5
69.56588	3.8
71.01382	22.7
71.05006	1.4
72.99316	1.3
73.22472	0.8
76.19556	0.8
85.06599	0.8
86.10906	0.8
87.00879	1.6
89.02423	1.0
95.75758	0.8
96.95999	3.8
97.06598	0.7
98.38616	0.7
99.04533	1.3
101.68458	0.7
102.60692	0.8
115.00369	24.5
133.01425	29.2
160.94598	0.8
161.13393	1.5
163.11298	1.0
207.10330	1.3
223.13380	100.0
224.13722	6.3
267.12369	37.0
267.15912	6.3
268.12646	3.8
383.13477	5.0
384.14139	0.9
403.98096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01719	1.2
61.98830	14.9
70.35844	1.6
70.36185	0.9
71.01379	8.6
72.99310	0.7
73.02954	1.1
85.02952	1.9
87.00853	0.7
89.02404	0.8
96.96017	2.1
98.19923	0.7
99.00909	0.8
101.02448	2.9
101.36152	0.6
113.02468	1.3
115.00359	4.6
119.35197	0.6
121.02992	0.7
133.01434	4.1
135.04546	1.3
149.39722	0.7
159.02969	0.8
159.04509	2.1
161.04562	1.7
177.01993	1.0
179.03616	0.9
183.13348	0.7
191.05609	2.1
205.08485	0.8
265.10599	1.5
265.14532	2.8
321.19159	7.7
321.70566	0.7
322.19675	1.0
345.15616	0.9
381.15808	1.5
389.36932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.2
58.02973	0.4
59.01379	1.1
60.78229	0.2
61.98827	100.0
62.98523	0.2
69.48643	0.4
69.49043	1.1
71.01387	1.0
73.02946	0.4
89.97136	0.2
91.05517	0.7
94.49548	0.2
96.16013	0.2
96.96011	3.9
98.19894	0.3
98.95586	0.2
115.00394	0.6
118.06592	0.3
129.10335	3.6
133.01440	0.6
135.04533	0.2
147.04523	1.8
154.08736	0.5
162.28804	0.3
164.07135	2.6
171.11386	2.9
223.13461	0.4
233.16579	1.9
246.94984	0.2
267.12186	0.2
267.16046	0.8
319.16605	10.5
320.16928	1.4
382.12476	2.1
383.13788	3.3
383.21063	0.3
384.41348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	1.1
61.87911	0.4
61.98824	0.9
70.57553	0.5
70.57899	1.0
77.13772	0.4
98.09720	0.4
120.27000	0.4
142.06229	0.4
190.72157	0.5
270.74637	0.4
296.14014	0.5
298.44418	0.5
322.27573	1.1
335.09711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.2
61.98836	2.3
71.01390	1.3
72.99350	0.3
85.02941	0.4
96.96034	0.4
101.02450	0.5
105.85238	0.3
115.00372	0.4
133.01440	0.8
265.14429	0.4
321.19174	0.6
378.13666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01719	1.2
61.98830	14.9
70.35844	1.6
70.36185	0.9
71.01379	8.6
72.99310	0.7
73.02954	1.1
85.02952	1.9
87.00853	0.7
89.02404	0.8
96.96017	2.1
98.19923	0.7
99.00909	0.8
101.02448	2.9
101.36152	0.6
113.02468	1.3
115.00359	4.6
119.35197	0.6
121.02992	0.7
133.01434	4.1
135.04546	1.3
149.39722	0.7
159.02969	0.8
159.04509	2.1
161.04562	1.7
177.01993	1.0
179.03616	0.9
183.13348	0.7
191.05609	2.1
205.08485	0.8
265.10599	1.5
265.14532	2.8
321.19159	7.7
321.70566	0.7
322.19675	1.0
345.15616	0.9
381.15808	1.5
389.36932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03443	2.4
58.00587	1.2
59.01375	30.7
61.98818	2.6
63.75847	0.8
68.99812	2.4
69.03457	2.6
69.55405	4.7
71.01379	22.0
72.99295	5.5
73.02942	3.6
75.00868	15.5
76.07410	0.7
81.05883	0.9
83.01395	2.4
85.02944	18.6
85.06581	28.6
87.00872	5.4
89.02442	5.7
93.03429	1.8
95.01398	5.1
96.95975	2.2
97.03022	1.0
99.00864	8.8
101.02438	5.1
103.00359	2.3
111.04517	1.5
112.01640	0.9
113.02440	21.8
115.00381	5.3
117.01925	2.7
119.03527	1.2
119.05020	9.3
121.92454	0.9
129.01950	0.8
131.07130	79.5
132.07477	2.8
133.01421	8.6
133.02913	1.0
157.01532	1.0
161.02412	1.1
173.11749	1.6
175.02451	2.1
177.01877	1.0
181.04831	0.8
183.06612	1.5
189.01988	0.9
189.04068	1.2
191.05606	2.2
201.07619	4.2
201.11279	2.2
219.12378	6.3
231.05084	3.6
249.06129	100.0
250.06458	6.5
359.35062	0.9
381.13852	47.5
381.17740	42.0
382.13782	5.1
382.18036	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	381.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
57.03439	2.2
58.00581	1.5
59.01377	45.4
61.81894	0.9
61.98832	5.3
68.99810	2.2
69.03448	1.7
69.48307	5.8
71.01381	27.4
72.99285	5.5
73.02943	5.3
75.00870	11.7
80.96535	1.0
83.01382	2.4
85.02464	1.3
85.02947	18.5
85.06586	22.9
87.00893	4.7
89.02444	11.5
91.28023	0.8
93.03407	1.0
95.01374	5.1
96.95998	6.5
98.95573	0.9
99.00870	7.7
101.02437	13.3
103.00372	1.7
109.02918	1.0
111.00885	1.2
111.04502	1.9
111.08134	1.1
113.02437	20.9
115.00363	8.0
116.00645	1.0
117.01949	2.5
119.03526	3.1
119.04996	6.4
129.01904	2.1
131.07135	57.9
132.07471	2.3
133.01418	14.1
135.04506	2.1
153.09210	2.1
155.10820	0.9
161.04530	1.7
173.11847	1.9
175.02484	1.6
176.03444	2.4
177.01910	3.2
181.05063	2.0
181.08714	0.9
183.06523	1.5
189.01917	3.3
191.05594	2.0
201.07608	4.2
201.11340	6.4
219.12331	12.4
231.05003	2.1
241.00212	1.1
242.00568	1.4
242.58780	1.0
249.06131	72.1
250.06441	3.8
266.01926	0.9
291.14438	1.2
321.15317	2.1
363.16531	3.5
381.13733	31.5
381.17609	100.0
382.14307	5.5
382.18625	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	381.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.4
61.98826	5.6
70.45428	1.9
71.01363	4.8
72.00891	2.6
72.05079	1.0
72.99293	1.8
79.95695	1.0
82.24191	0.9
85.02936	1.3
87.00853	1.4
88.56138	0.8
89.02435	1.9
92.05038	2.7
96.96009	18.6
100.04037	1.0
101.02450	2.0
112.98856	0.9
113.02441	1.6
116.05035	3.3
119.03468	1.3
125.02399	1.6
128.05031	1.2
130.08723	1.1
131.03732	2.2
132.04550	7.4
133.01448	0.9
134.03777	1.2
142.06631	2.1
144.04552	8.5
154.06416	1.0
156.06918	6.7
157.07655	3.8
158.04865	1.5
158.06059	2.5
159.05588	1.8
160.04024	9.3
167.06134	12.9
169.07712	5.2
170.06050	2.3
171.09242	7.9
172.03903	1.2
173.07205	10.0
180.06778	1.3
181.07703	56.4
182.06300	0.8
182.08006	4.9
187.08717	3.1
188.05896	2.6
197.07140	4.2
199.08752	35.8
200.09135	1.5
201.06668	4.2
217.09763	3.4
219.07658	1.5
226.05005	4.6
241.00189	3.0
243.07729	22.4
244.07968	1.9
261.08780	100.0
262.09082	9.0
271.74771	0.9
273.08722	2.8
277.60324	1.0
284.12527	1.3
288.82346	0.9
291.09677	1.4
297.10077	1.0
343.11423	1.8
363.11945	3.3
381.04984	9.1
381.12921	25.0
381.17743	1.9
382.04935	0.9
382.13223	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	381.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57040	1.3
54.65049	1.1
57.03429	3.2
59.01374	16.4
61.98822	8.9
70.00900	5.5
71.01375	32.0
71.05013	17.9
72.99286	1.8
79.95685	1.2
83.05006	1.4
83.48294	1.4
87.00868	8.3
93.03429	1.6
94.77590	1.1
94.93938	1.2
95.05013	1.5
96.95997	3.7
97.06590	8.6
98.20611	1.7
99.04509	1.4
101.02413	1.4
101.41238	1.1
107.04920	1.3
108.44581	1.1
109.06617	5.9
115.00364	22.7
123.04468	2.1
125.06046	3.8
133.01405	13.8
133.10197	4.3
135.04440	2.3
159.08096	1.9
159.11760	11.7
161.09787	2.7
177.09219	6.7
177.12814	12.0
178.13008	1.3
191.05582	4.4
192.05959	1.6
201.38554	1.3
203.10748	21.6
204.11092	1.4
205.08443	11.9
207.10193	1.4
221.11835	8.1
221.15323	1.3
247.09537	3.5
253.96631	1.2
265.10709	100.0
265.14316	19.6
266.11118	9.8
266.14865	1.5
381.11731	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1223
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
51.89389	0.3
51.98341	0.3
59.01370	3.5
61.98871	0.3
70.85309	0.6
70.95432	0.3
71.01366	2.4
72.99315	0.8
73.02981	0.4
73.03970	0.3
73.37038	0.3
79.95740	4.0
80.96510	2.2
85.02936	1.2
89.02457	0.8
95.95225	2.3
96.96005	96.3
101.02441	1.4
113.02435	0.7
122.97578	1.6
138.97070	1.7
150.97078	1.7
164.98694	0.4
180.98149	1.1
190.55901	0.4
198.99117	0.5
241.00211	4.3
256.99869	0.3
269.32092	0.3
381.12198	100.0
382.12527	10.2
394.74396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68700	0.8
59.01377	100.0
60.01728	1.0
61.98835	0.9
69.19664	5.8
179.82053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95174	0.6
59.01375	11.7
61.98829	15.9
69.03436	0.7
69.48989	3.0
69.49408	1.5
71.01376	19.4
72.99307	3.6
87.00875	0.9
89.02447	2.9
96.95998	1.9
101.02402	0.7
115.00365	45.6
116.00675	1.3
126.30548	0.5
133.01421	100.0
134.01779	2.8
145.02946	0.8
159.04471	3.4
160.51523	0.7
161.02435	5.4
163.03986	5.9
175.03918	1.0
177.05582	0.9
177.09177	0.7
189.01909	17.3
190.02336	1.2
191.05594	0.8
202.85046	0.7
210.12120	0.8
221.04562	5.5
221.11838	1.3
227.31166	0.7
228.67569	0.6
247.02473	2.2
265.03568	2.7
265.10748	4.7
265.14502	2.2
275.88290	0.7
381.06381	1.1
381.15588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72710	0.3
59.01378	100.0
60.01713	1.4
65.09218	0.3
71.01389	0.8
98.20763	0.6
203.41148	0.3
230.00937	0.4
340.06406	0.3
343.74826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.029
Annotation	Cimicoxib
Peak:m/z	Relative Intensity
53.47763	0.4
59.01377	2.0
70.78646	0.6
71.01382	2.4
73.02934	0.6
75.66436	0.4
79.95732	2.8
80.96529	3.0
85.02953	1.2
87.00883	1.1
96.96005	100.0
101.02440	1.5
108.02160	1.2
113.02458	0.7
128.07132	0.5
138.01955	14.5
138.97063	9.9
139.02249	0.7
143.03558	0.6
150.34976	0.4
150.97075	0.8
164.98610	1.6
168.98080	0.9
180.98158	0.9
222.99178	1.6
231.72932	0.5
241.00217	55.3
242.00529	2.5
253.82831	0.4
264.16046	0.4
281.57150	0.4
344.30823	0.4
380.02887	43.0
381.03122	3.5
381.17535	1.3
401.65875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78714	0.6
59.01377	7.2
59.94150	0.6
61.98824	0.8
64.41226	0.5
69.44139	0.9
69.44552	3.0
71.01368	1.0
72.99306	100.0
73.02924	2.9
73.99654	0.8
75.00874	11.5
80.27715	0.6
87.00871	4.9
89.02425	0.8
90.47864	0.5
105.01936	57.5
106.02274	1.1
113.75774	0.6
117.01952	12.1
126.55091	0.7
133.01424	1.6
161.00916	16.5
234.71936	0.5
319.13989	1.2
344.37561	0.5
379.17627	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04397	0.6
57.03429	0.7
59.01377	100.0
60.01696	1.3
61.64211	0.6
61.98832	2.0
65.30150	0.6
69.25057	1.4
69.25465	4.0
71.01383	12.1
72.01753	0.6
73.02950	2.4
83.01376	0.9
83.05048	0.8
85.02937	3.1
87.00897	1.0
88.98806	2.0
89.02448	5.2
89.59216	0.6
91.04007	1.6
93.03448	0.6
94.62852	0.6
95.01411	0.9
96.95999	3.1
98.20621	0.8
98.95605	2.8
98.96455	0.8
99.00932	0.6
101.02435	4.4
113.02448	2.8
115.00374	2.9
119.03514	2.4
120.99647	0.6
129.08266	0.6
131.03604	0.8
133.01428	3.9
135.04562	1.5
143.03474	0.9
150.04294	0.7
155.10794	1.5
161.04552	3.1
179.03394	0.7
179.05661	1.4
191.05637	1.7
199.09833	0.6
201.11304	11.8
202.11694	0.7
209.11807	17.1
210.12283	0.8
211.41469	0.5
219.10175	0.7
227.12909	1.0
242.99962	0.8
245.09216	1.0
263.09219	1.1
275.15033	0.6
301.16571	1.4
319.17599	10.7
320.17648	1.0
379.05579	1.9
379.19553	9.5
380.19592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01717	1.9
61.98826	1.1
63.23958	0.4
71.01380	5.2
72.99317	0.6
73.02957	1.7
78.98132	0.4
83.01399	1.1
85.02953	1.8
85.28448	0.4
95.73119	0.4
96.96033	0.7
99.00867	0.5
101.02430	3.6
113.02470	1.7
115.00386	0.8
125.28845	0.4
134.03737	0.9
135.04556	0.7
135.98447	0.5
137.97920	0.5
147.04608	0.6
147.52074	0.5
161.04633	1.2
165.07478	0.6
177.02039	0.6
178.02734	0.5
186.12524	0.8
191.05688	0.5
215.16612	0.5
217.08774	0.6
261.07745	3.0
289.14716	0.7
335.20724	3.4
377.08844	0.6
377.19284	3.1
377.29138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
59.01375	7.6
60.34875	0.8
61.98819	6.9
65.03230	0.8
69.03432	1.9
70.16544	1.0
71.01377	35.5
73.02940	1.5
74.09694	0.8
75.00860	1.2
75.30313	0.9
81.03448	2.6
83.05019	11.1
85.02934	1.6
89.02410	0.9
93.03423	1.5
95.05023	1.1
96.96003	11.9
97.02946	3.8
98.19900	3.4
101.02454	1.4
105.07114	1.0
107.05007	2.6
108.05800	3.1
109.02940	3.2
109.06582	2.0
109.27641	0.9
111.04487	3.9
111.08140	1.6
113.02429	2.1
113.06073	3.7
115.00365	22.0
119.08638	1.2
120.99626	3.2
121.02917	1.1
121.06574	2.4
122.03722	2.6
123.08144	4.1
125.06081	3.7
127.04012	5.5
129.09215	1.4
133.01399	3.5
133.02937	1.5
135.04504	7.3
135.08130	2.4
136.05267	3.9
137.02350	1.0
137.06052	2.1
137.09685	6.3
138.06915	6.0
139.07652	14.4
148.05246	2.1
149.06076	1.2
151.07639	29.8
152.04741	4.0
152.08437	12.1
153.09169	6.5
161.04433	1.2
161.09738	2.2
163.07657	4.9
167.07086	1.9
173.04422	1.0
179.03409	1.7
189.12825	1.2
191.05577	4.1
191.14383	6.2
201.12869	12.4
202.13185	1.6
203.10753	3.0
204.11542	13.7
217.12347	1.2
219.13879	39.5
220.14203	3.9
227.50389	1.0
247.09239	1.0
263.12848	100.0
264.13190	10.3
335.76617	0.9
378.29501	2.2
379.10526	7.4
379.14609	4.3
379.29660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.9
61.98814	6.6
64.36131	2.6
71.01369	4.2
71.51518	3.8
80.96556	2.8
97.06589	3.8
101.26289	2.2
113.99895	2.6
171.10277	11.4
193.12325	6.9
225.14989	11.8
243.15903	3.3
307.19778	2.4
341.23291	100.0
342.23587	13.4
369.23145	2.4
377.08679	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	377.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.7
61.98810	10.5
70.33559	13.9
71.01384	6.6
80.96509	5.3
97.06594	9.8
145.02823	3.9
193.12291	8.9
225.14885	8.9
243.16138	6.1
341.23273	100.0
342.23560	12.6
351.71646	4.5
377.08368	4.9
377.19815	5.4
402.39319	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	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14240	0.3
55.01867	0.4
57.03457	0.7
59.01375	100.0
60.01706	1.2
61.98835	0.6
69.18356	1.7
69.18781	1.4
71.01377	6.4
72.99307	0.5
73.02944	2.2
80.96516	0.4
83.01390	1.5
85.02947	3.1
87.00885	0.4
89.02454	0.6
93.03492	0.4
95.01430	0.5
95.55853	0.3
96.96003	5.8
98.19939	0.8
99.00903	0.7
101.02430	4.5
108.88786	0.3
113.02443	1.7
115.00346	0.6
120.05140	0.3
133.01436	0.5
133.02972	0.8
134.03789	0.6
135.04561	0.6
137.02411	0.3
142.99474	0.3
161.04553	1.5
162.03307	0.3
191.05676	0.5
217.08795	0.8
241.00327	0.9
246.39491	0.3
261.07611	2.0
273.11987	0.3
315.05322	0.3
317.19678	0.5
319.48535	0.3
335.20703	5.3
364.34763	0.3
377.09024	3.7
377.16525	1.4
378.08975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59507	1.8
55.29349	2.1
58.99602	15.8
59.01374	52.1
61.98846	4.6
71.01363	17.5
71.51286	2.9
72.99303	2.9
79.95714	3.0
85.02937	2.8
87.04491	3.4
89.02464	2.7
93.03467	2.4
96.96015	2.6
98.35468	2.1
100.13419	2.0
101.02430	4.1
102.98586	100.0
115.00366	5.3
117.03443	4.5
120.99656	14.5
133.01411	3.9
134.03731	4.6
135.04501	4.8
142.32591	1.9
162.03160	2.2
162.93159	2.4
163.00723	8.9
164.92255	2.0
178.02707	3.0
179.03421	2.8
217.08739	2.6
232.32889	2.7
261.07712	18.5
283.13480	4.4
335.21210	2.2
377.20706	4.1
377.28741	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
59.01378	14.4
61.98834	1.9
69.14506	7.8
69.14941	5.0
71.01376	36.7
72.99301	4.4
73.02941	3.3
73.34740	1.4
75.00864	2.8
83.01369	2.2
83.40428	1.2
85.02958	4.2
87.00867	7.2
89.02444	3.9
93.03455	1.2
96.96003	20.7
97.06577	7.5
101.02431	5.1
103.00388	1.4
105.01923	21.1
111.00867	5.3
113.02423	2.4
115.00370	21.7
115.03999	1.4
122.24268	1.3
123.00851	2.8
123.08167	2.5
125.02431	1.6
125.09713	80.7
126.10072	4.3
129.01912	7.6
133.01431	21.0
135.04472	2.2
137.09703	3.9
138.03244	2.3
139.00352	3.4
141.56621	1.3
143.10802	1.9
147.03024	5.2
150.04199	8.4
151.04114	1.3
153.00642	6.1
154.01453	9.6
155.10768	43.7
156.11101	4.0
156.86009	1.5
159.04462	2.5
163.68254	1.3
169.08740	2.4
177.01942	1.5
177.04012	8.9
180.95992	2.1
181.08786	1.7
187.09738	69.5
188.04718	3.6
188.10101	5.0
196.02412	1.7
199.07886	1.7
199.09714	17.4
201.11215	1.8
217.08574	7.4
261.13388	100.0
262.13742	7.3
298.05826	1.9
317.06683	2.0
329.12210	3.9
332.08844	1.6
335.17197	1.6
341.10983	2.3
347.11188	7.5
359.13394	28.1
360.13675	2.0
377.08826	7.2
377.14383	32.6
377.18311	4.8
378.01358	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07507	0.5
56.23381	0.4
59.01376	100.0
60.01719	0.9
61.98824	1.5
68.12205	0.4
68.71616	0.4
71.01384	5.0
73.02956	0.7
83.01447	0.4
85.02959	0.9
89.02422	0.9
96.96019	0.7
98.20760	1.0
99.00858	0.5
101.02454	1.8
113.02476	1.4
115.00384	0.8
124.33491	0.4
133.01469	0.9
135.04578	0.6
161.04530	2.9
229.69984	0.5
281.09271	0.4
315.18250	1.1
329.85727	0.4
371.91135	0.4
375.18665	0.5
375.27307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27959	0.3
57.03443	6.2
57.34621	0.3
59.01383	2.3
61.98827	1.2
69.03450	1.2
70.79540	0.6
71.01382	1.9
71.05010	0.6
73.02927	0.4
83.04996	0.3
85.02951	0.4
87.04527	0.7
111.08173	1.5
115.00378	0.8
119.91903	0.3
125.09738	0.3
127.11280	4.9
133.01443	0.9
135.04514	0.5
137.09717	3.8
153.09241	0.5
153.94293	0.3
155.10770	3.7
157.12309	0.4
169.12341	1.3
171.13901	1.2
179.03542	0.5
190.96413	0.3
195.17537	0.7
197.15450	0.5
201.15106	0.4
214.69620	0.3
239.20227	0.6
241.21883	0.5
259.19193	1.7
263.20233	0.7
263.23526	0.3
265.21710	7.8
266.22003	0.8
279.23129	0.4
281.21191	1.4
281.24884	1.7
283.22760	6.9
284.23221	0.6
309.24423	0.6
311.25815	0.6
329.26978	2.5
357.26385	0.3
366.55490	0.3
374.66595	0.4
375.27484	100.0
376.27823	14.0
376.32782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03974	0.4
50.37867	0.3
54.27642	0.3
59.01373	6.4
61.98814	2.2
66.84772	0.4
70.93306	0.4
70.93622	0.4
71.01380	3.8
71.62560	0.3
73.02939	1.1
79.46833	0.3
85.02925	0.9
87.00876	0.8
87.14508	0.3
89.02438	1.9
96.96008	1.5
98.95612	0.4
99.00843	0.4
99.04475	0.4
101.02441	1.5
103.11638	0.3
107.04990	1.7
108.16394	0.4
111.08150	0.4
113.02454	0.7
115.00359	1.4
119.03539	0.4
119.05012	0.4
122.06116	0.4
123.04496	0.7
133.01422	1.0
134.03729	1.5
135.04515	100.0
136.04857	5.4
144.20856	0.4
151.04004	4.1
161.04590	0.9
178.31215	0.3
179.03482	24.9
180.03787	1.2
200.55884	0.4
201.01677	0.4
201.11285	0.7
201.88092	0.3
261.13382	2.1
293.12473	0.5
297.09909	0.9
313.09204	1.2
318.78616	0.4
341.08618	21.3
342.09094	2.4
377.06223	1.8
377.09616	0.4
377.14310	0.8
377.18481	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50817	3.1
55.02397	2.7
57.01390	3.2
59.01377	26.2
61.98825	38.9
70.42715	4.7
70.43037	7.2
71.01383	18.1
89.02439	28.9
101.02441	12.0
109.02950	3.6
113.02444	6.3
119.03484	9.4
135.04488	10.1
153.01854	9.4
161.04510	4.2
179.05569	13.4
213.84755	3.4
215.03258	15.8
225.49925	3.0
312.21317	3.7
315.07584	3.8
322.15485	4.0
341.10858	100.0
342.11203	8.7
369.36737	3.7
377.08551	79.6
378.09204	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54372	3.8
54.93665	3.8
57.60519	4.6
59.01380	28.2
63.94413	4.0
71.01378	25.8
71.19962	8.7
79.75974	4.5
89.02435	36.5
101.02459	11.3
113.02424	8.9
119.03532	9.8
133.01357	5.3
135.04527	47.4
159.96974	4.0
179.03458	9.3
179.05611	16.0
202.85991	4.2
215.03235	18.0
295.22311	4.5
300.28497	4.6
341.07333	6.8
341.10953	100.0
377.08563	69.3
378.08667	4.4
378.88397	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66078	0.3
57.03439	0.7
59.01373	4.4
61.98842	1.8
69.46775	1.8
71.01379	18.4
71.05010	0.5
72.01705	0.5
72.21968	0.3
73.02928	0.5
74.02473	1.2
83.05076	0.4
85.02955	1.9
86.23797	0.4
89.02444	0.4
93.03458	0.4
99.08157	1.7
101.02466	0.8
111.08131	0.7
113.09730	1.9
115.00376	7.9
116.05061	0.6
120.99639	0.7
127.11333	0.9
129.09389	0.5
129.10274	1.7
133.01428	2.8
135.04523	0.5
135.71129	0.3
153.93706	0.3
169.12338	0.8
179.03447	0.4
185.11792	0.5
211.16934	0.8
213.14983	1.0
213.18555	1.1
215.10689	0.5
241.18054	1.6
242.11845	1.1
247.11961	0.4
257.17578	1.5
259.09769	1.3
259.19107	100.0
260.19437	8.5
329.23447	0.4
357.26624	0.7
375.20346	6.2
375.27472	17.6
376.18771	2.1
376.27628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10238	0.4
65.83392	0.4
69.13571	0.9
69.13972	3.4
73.04227	0.4
74.99066	2.4
80.61352	0.4
85.89285	0.4
93.00156	0.4
93.11354	0.4
99.38853	0.4
118.13236	0.4
130.73944	0.4
149.00951	1.0
159.08449	10.1
160.08611	0.5
161.06345	2.9
172.92177	0.4
192.98163	0.8
209.01285	2.3
217.07195	1.1
225.00992	0.4
261.91675	0.4
266.68253	0.4
275.05829	0.9
277.07471	2.4
289.07593	1.6
291.09082	99.6
292.09201	14.0
309.10205	1.2
357.13663	1.9
359.15317	100.0
360.15482	17.2
360.20102	0.7
375.18457	9.7
376.18588	1.7
385.19876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36654	0.6
61.98820	1.0
69.48822	2.0
69.49238	1.8
74.99065	2.9
80.61347	0.6
83.85165	0.6
86.65744	0.6
92.54940	0.7
93.00132	1.1
101.69466	0.7
113.22829	0.6
149.00885	1.4
159.08470	11.0
159.09752	0.4
160.08698	0.7
161.06372	2.5
192.98174	0.8
205.01582	0.7
209.01323	3.0
217.07196	1.7
228.08994	0.6
274.28958	0.7
275.05789	1.3
277.07553	3.1
289.07529	2.5
291.09079	100.0
292.09225	13.4
357.13815	2.1
359.15326	96.7
360.15466	17.4
375.18430	11.1
376.18570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
61.98823	8.6
69.90917	4.4
70.93177	0.7
71.01383	1.9
74.02491	0.9
87.00904	1.1
89.02435	1.4
95.05009	1.1
96.96062	1.2
101.02474	1.1
113.02440	1.0
113.06084	3.7
115.00307	1.0
117.58842	1.0
120.99746	0.9
125.06070	4.3
133.01437	1.3
139.04028	8.9
143.07130	42.9
144.07535	2.0
163.02742	0.8
165.01936	5.0
169.05055	59.3
170.05389	3.2
179.03476	9.1
180.04230	5.3
187.06102	100.0
188.06432	6.3
194.05774	1.9
194.25719	1.0
195.06595	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	375.1304
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
51.78550	0.4
59.01377	11.0
65.50838	0.4
71.01379	6.9
71.16460	0.4
71.98130	0.4
72.99294	0.4
73.02931	1.5
79.98873	0.4
83.01420	0.5
85.02950	1.5
89.02436	1.9
96.95967	0.6
97.06577	0.6
99.00893	0.6
101.02431	2.8
101.12100	0.4
102.05573	0.5
106.54691	0.5
109.02898	0.5
113.02440	1.3
115.00382	2.2
119.03476	0.6
130.08696	0.5
133.01393	2.6
133.02959	0.5
135.04520	0.7
137.09737	0.5
144.08162	1.5
146.04547	1.0
147.04887	0.6
153.09178	1.0
160.03870	0.4
161.04521	1.7
169.07657	1.0
179.03470	0.4
181.08708	0.5
184.08829	2.8
184.10185	0.6
197.05919	1.3
198.06712	3.4
212.08287	22.6
213.08539	1.8
215.12874	3.8
240.06516	3.5
241.07269	12.1
242.07738	0.7
255.08850	100.0
256.09192	9.0
257.10385	1.5
259.11819	2.6
259.15546	3.2
341.11746	0.7
357.15842	0.5
358.14441	0.6
375.07703	0.8
375.12973	6.6
375.17508	2.4
376.13351	0.6
391.04492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55705	0.7
57.03429	0.9
59.01377	9.7
59.89170	0.8
61.98827	6.2
65.00320	3.3
67.76639	0.8
69.03403	0.9
69.33421	4.1
69.33852	2.7
71.01382	9.0
71.80930	0.8
72.99303	1.2
73.02944	1.7
77.42577	0.8
78.95947	1.4
79.95719	1.7
83.01405	1.4
85.02957	3.6
87.04476	1.0
89.00311	1.0
89.02444	2.8
93.03500	1.0
95.01385	1.0
97.02952	3.1
100.85061	0.9
101.02438	3.3
106.69516	0.8
107.01382	11.7
109.02952	22.2
110.03271	1.7
112.14751	1.0
113.02415	1.8
115.00380	1.9
120.99647	1.7
121.02959	6.2
124.01663	4.3
133.01395	1.1
135.00894	12.2
135.04491	2.3
137.02431	1.4
139.04031	3.2
149.99615	1.7
151.00372	1.8
152.01068	2.1
153.01926	10.9
154.04268	0.9
157.02872	1.1
158.03709	1.3
161.02409	2.5
163.00352	19.1
165.01917	21.4
166.02470	1.6
167.03523	4.9
170.03723	3.1
172.10434	0.9
174.03114	1.5
178.02798	1.1
178.99847	57.3
179.03423	1.9
180.00183	4.0
183.02982	7.1
186.03136	3.0
188.01163	0.9
190.99861	3.4
193.01363	2.5
195.13951	1.2
197.02409	0.9
197.15479	1.6
198.03195	3.7
199.03912	1.3
208.00099	1.5
210.03197	1.4
213.01949	1.7
213.14983	5.5
214.02670	6.4
215.03204	1.3
221.00911	3.4
222.01509	1.0
226.02710	3.6
228.04274	4.3
241.05054	2.1
242.02161	17.2
243.02904	7.0
244.03670	1.6
254.02158	2.9
255.02904	2.0
259.06027	3.5
259.19095	3.7
269.00934	3.2
269.04434	2.7
270.01654	13.9
271.02319	4.9
272.03333	5.8
273.03455	1.2
287.05573	34.7
288.05942	3.7
297.00232	1.2
298.01144	100.0
299.01462	8.9
306.42358	0.9
312.17706	0.9
313.03506	24.6
314.03802	2.3
329.23264	0.9
331.04684	4.3
332.04901	1.2
357.02487	40.1
358.02695	4.0
374.26263	15.1
375.03513	19.5
375.15857	1.0
375.20129	21.7
375.27350	26.0
375.67599	1.3
376.03796	3.5
376.20618	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.8861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45267	0.4
59.01369	3.7
68.14690	0.4
70.67345	1.1
134.95157	0.4
134.96074	2.2
136.93982	4.0
140.23991	0.4
151.92642	0.6
174.99217	0.8
178.95045	3.4
204.89781	0.5
217.00259	4.0
235.87051	0.5
241.87965	0.5
255.85968	1.3
256.85693	0.5
263.84879	13.8
264.34927	4.1
264.84787	4.6
270.87415	4.4
271.87387	0.5
272.85406	71.0
273.85532	6.8
287.84128	13.2
288.84601	0.8
288.88541	6.7
289.88589	1.3
290.86484	18.3
291.86600	1.6
295.83829	1.7
296.34006	0.5
296.83786	0.6
303.82715	39.3
304.32767	11.2
304.82596	10.7
305.85159	1.5
314.86465	100.0
315.86517	9.8
316.84122	0.9
332.87503	14.9
333.87759	1.5
344.82605	0.6
374.78278	1.2
374.83490	1.5
375.33450	0.6
375.79736	1.6
392.79376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43150	0.5
52.16129	0.4
59.01377	69.5
60.01730	0.6
61.98826	2.8
69.26785	0.8
69.27187	2.7
73.59885	0.4
87.79525	0.4
90.44421	0.4
90.97131	1.8
107.09535	0.4
114.98872	1.1
118.96577	1.0
129.75742	0.4
132.98244	2.0
156.99892	1.6
157.63806	0.4
171.97461	0.6
174.99232	27.0
175.99629	0.9
178.12036	0.4
201.02480	2.7
203.56831	0.4
207.57343	0.4
217.00282	100.0
218.00664	4.2
314.98648	1.5
354.32590	0.4
374.99170	8.1
375.99799	0.9
385.57343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98827	100.0
68.85852	0.5
70.81315	1.2
83.01380	0.9
84.31860	0.7
109.80024	0.6
119.34218	0.6
121.02991	0.8
257.79938	0.6
356.69116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04770	1.6
51.07515	1.6
55.22142	1.6
59.01381	9.9
61.98829	100.0
71.17686	3.0
71.18044	3.7
77.55400	1.9
96.00407	1.8
132.40848	1.7
136.82092	2.1
188.56796	1.7
232.10779	4.5
244.88245	1.7
374.16000	2.4
374.24478	38.8
375.24826	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.9
60.97825	1.3
61.98828	100.0
70.08517	2.5
70.08910	3.1
71.91613	1.5
83.01372	2.7
96.96020	7.9
171.98418	1.5
217.00438	1.8
275.57535	1.5
283.15213	1.4
316.11649	1.5
375.18466	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98826	100.0
63.99244	2.9
68.88574	0.7
69.61092	2.3
69.61510	2.2
98.20702	1.3
331.38531	0.7
381.47031	0.7
390.09888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22097	0.3
60.35036	0.5
61.98828	100.0
68.00341	0.4
74.55336	0.4
83.01389	0.5
94.24637	0.4
98.20755	0.9
179.95383	0.4
225.86565	0.4
311.22363	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38450	0.4
59.01380	0.7
61.98827	100.0
98.19911	1.6
98.51521	0.5
158.51007	0.5
222.42542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10891	1.8
57.92392	2.1
59.01377	32.6
61.98829	9.5
66.03486	3.5
69.94492	3.0
69.94893	5.5
70.71936	1.5
71.01371	3.1
72.99300	1.8
75.09533	1.8
76.17429	1.9
78.20959	1.7
82.02975	9.3
86.55090	1.7
90.97115	2.7
96.30451	2.0
98.20616	2.1
110.02466	42.5
111.02006	15.0
111.02728	2.8
122.02472	2.1
130.08725	76.7
131.09091	2.3
140.03557	5.0
143.96194	2.1
145.01407	3.4
146.99724	3.9
152.03522	7.9
153.02979	3.2
174.99199	13.6
183.95372	1.7
200.05643	22.4
216.05453	2.3
217.00261	49.7
218.06903	2.5
243.06190	100.0
244.06480	3.6
246.06551	3.0
298.92883	2.3
331.98730	2.1
356.08954	1.8
360.82083	1.8
374.98972	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01862	0.8
58.00608	0.9
59.01376	100.0
60.01701	1.1
61.98809	0.7
70.07072	0.6
71.01380	31.8
72.01728	0.9
72.99311	2.4
73.02942	34.7
75.00861	1.1
79.95731	0.7
82.38517	0.6
83.01377	9.9
84.01715	0.7
85.02945	4.4
87.00901	1.0
89.02439	8.6
95.01385	1.1
96.96024	2.1
99.00892	0.9
101.02435	27.5
105.01935	4.8
109.80103	0.6
113.02444	11.1
115.00370	3.6
119.03493	2.9
125.02462	1.0
131.03513	1.8
133.01399	4.0
135.04532	1.4
136.01689	0.9
143.03505	1.9
145.01450	0.8
149.04590	1.6
161.04524	3.9
179.03561	0.8
179.05586	0.7
185.22624	0.6
195.13980	0.8
229.12294	0.6
234.03247	0.6
246.84212	0.5
257.08194	0.8
257.14108	0.8
257.17599	3.3
283.11981	0.7
299.18655	1.0
331.17493	0.6
373.12250	0.9
373.25635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	1.7
60.03743	0.6
61.98851	0.9
71.01375	11.8
71.51960	0.7
72.99338	0.6
73.02941	2.9
76.42991	0.6
80.54927	0.6
83.01403	2.3
85.02961	2.5
87.00886	1.3
89.02424	3.6
93.03462	2.1
96.96005	1.3
97.06562	0.8
99.00906	0.7
101.02440	7.9
109.02950	1.7
111.00909	1.2
113.02443	3.0
115.00359	3.4
119.03534	1.1
132.04558	2.0
133.01443	1.9
135.04549	2.4
136.01634	0.8
143.03551	1.0
145.01393	5.7
151.04001	1.1
152.07204	0.9
155.10796	1.8
161.04636	2.4
172.05249	1.1
173.04565	6.0
179.03488	1.3
179.52177	0.7
187.04066	1.4
187.07594	1.1
193.00015	0.6
199.09743	1.1
213.09247	2.2
213.11223	0.7
221.15454	0.9
231.10181	3.8
257.08200	8.8
257.13895	1.3
258.08606	0.8
258.14322	0.7
263.05533	1.2
298.01254	0.6
331.17737	1.8
373.15604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
58.00589	2.3
59.01376	92.3
60.01717	1.6
61.98825	3.4
69.03384	1.3
69.79461	1.0
70.84875	1.9
70.85221	2.1
71.01379	27.6
71.05005	1.2
72.99309	1.2
73.02949	6.6
75.59316	1.0
79.36839	1.0
80.66880	1.2
82.28923	1.2
83.01358	6.4
84.01693	2.2
85.02930	3.2
87.00870	1.2
89.02422	2.9
94.06614	1.2
96.96011	1.8
97.06643	1.2
98.47545	1.2
99.00842	1.2
101.02446	10.2
104.05046	2.3
107.03774	1.5
108.04517	2.6
113.02444	2.1
115.00380	15.9
115.12186	1.0
121.02893	1.1
122.06103	9.7
130.64081	1.1
132.04544	19.8
133.01413	8.5
134.03770	1.3
137.09714	2.4
139.02733	1.1
139.11266	7.8
143.00421	1.1
145.01418	12.8
148.04102	1.3
151.11226	1.6
152.07141	21.7
153.07510	1.1
155.10756	1.8
161.04465	1.3
167.10750	2.1
169.12350	1.5
174.99399	1.2
176.03575	1.7
177.09138	2.1
183.10262	20.0
184.10548	1.4
195.13908	1.5
209.11777	2.2
213.11308	100.0
214.11678	7.9
223.13313	1.4
231.10304	2.7
239.12860	23.4
240.13179	2.6
250.91876	1.1
257.08075	4.7
257.13922	68.5
258.14371	5.6
269.12997	1.4
273.12552	1.9
297.12360	8.7
341.11426	24.2
342.11588	3.0
373.14374	6.6
374.16339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03424	0.5
59.01378	100.0
60.01711	1.3
71.01378	7.5
72.99332	0.4
73.02948	2.4
83.01385	1.6
85.02937	2.0
87.00880	0.5
89.02428	3.2
90.68128	0.4
101.02447	4.4
102.42086	0.4
111.91550	0.4
113.02454	1.8
115.00386	1.9
119.03492	0.8
122.03255	0.4
133.01492	0.6
135.04521	0.6
139.11273	1.0
143.03506	0.4
145.01476	0.8
161.04529	2.3
178.80487	0.4
183.10213	3.3
199.78885	0.4
213.09372	0.3
213.11314	7.4
214.11566	0.5
233.46999	0.5
239.12836	2.4
257.08163	0.5
257.13898	5.8
257.16101	0.5
258.14136	0.5
329.16171	0.6
331.17825	0.9
341.11224	0.6
355.07974	0.5
373.15558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33784	0.5
53.62007	0.5
57.03444	1.1
58.00600	0.8
59.01375	12.9
65.55424	0.6
69.03463	3.2
70.08675	0.5
71.01380	15.9
71.05019	12.5
71.33623	0.6
72.99309	1.3
73.02937	3.1
75.00847	0.6
83.01387	1.9
83.05011	1.4
85.02938	2.5
87.04511	3.7
89.02417	0.6
93.07110	0.6
95.05013	0.8
96.96017	3.4
97.06589	0.7
99.04508	2.4
101.02457	0.7
102.05610	5.0
104.60207	0.6
115.00377	13.5
115.05524	0.5
119.08660	4.5
123.08173	0.8
124.03986	0.5
125.06069	1.0
125.09660	1.5
127.05042	0.5
128.03529	4.5
130.08733	0.5
133.01421	6.6
135.04610	0.6
135.08163	3.7
137.09695	3.6
139.07677	1.9
142.06514	0.6
145.06161	1.6
146.03462	0.9
146.04593	15.5
151.07625	0.6
153.09210	4.6
159.11745	2.8
177.12846	4.7
179.03510	0.8
181.08711	1.1
231.10260	1.6
239.12772	1.7
257.13928	100.0
258.14249	7.8
267.06665	0.7
286.14282	0.6
295.06052	1.7
302.41721	0.5
310.08362	1.0
325.10742	1.8
373.11111	2.8
373.15762	1.3
392.23083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96534	0.7
57.07866	0.8
59.01374	12.5
61.98814	0.7
68.22485	0.8
69.03442	1.7
71.01379	12.3
71.05015	12.2
72.99282	1.1
73.02930	3.2
82.56201	0.7
83.01365	1.6
83.04967	0.8
84.40912	0.7
85.02944	1.6
87.04522	3.2
96.95982	1.8
97.06615	0.9
99.04510	2.0
103.87795	0.7
115.00372	11.5
119.08641	3.8
123.08113	0.9
125.09713	1.1
133.01436	4.4
135.08157	4.0
137.09726	3.0
139.07651	1.3
146.04565	1.1
153.09193	4.6
159.11769	2.5
177.12859	4.6
181.08556	1.0
228.98479	1.0
231.10175	0.7
242.23422	0.7
257.13919	100.0
258.14188	9.8
295.06018	1.0
325.10748	1.3
373.10873	1.2
373.15353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
59.01373	1.7
59.18120	1.2
61.98826	100.0
63.62857	1.2
70.25395	2.4
70.25809	5.1
80.23911	1.5
83.01386	39.8
84.01708	9.1
121.02949	8.7
122.03247	4.7
136.05305	9.3
137.05621	7.2
140.76151	1.2
168.04240	2.6
169.04552	1.8
180.52759	1.3
236.10042	1.9
261.07932	1.4
357.12906	5.2
372.15283	26.0
373.15720	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61769	0.8
59.01167	0.6
59.01379	7.3
69.70708	4.9
71.01379	23.6
72.99298	1.1
73.02934	1.7
83.01357	1.6
87.00873	0.9
98.20647	1.0
101.02438	2.1
103.71265	0.8
115.00359	18.5
131.09032	0.7
131.24895	0.7
133.01430	19.9
134.01839	0.8
144.82669	0.8
145.01440	2.4
155.03136	0.8
159.04491	1.7
171.04497	2.3
172.05247	2.7
174.03210	3.4
180.05821	1.1
181.06660	1.6
183.04497	2.8
184.05258	15.3
185.06030	7.4
185.09706	1.1
187.03993	22.7
188.04646	1.7
195.08160	1.9
197.06052	22.2
198.06770	10.1
211.07642	1.8
213.09187	84.0
214.09500	7.2
215.03395	0.8
231.10236	59.2
232.10600	4.2
257.08170	100.0
258.08514	10.2
292.07608	0.9
338.54547	0.8
373.15057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
55.36762	0.4
59.01382	1.2
61.98819	0.4
70.04433	1.2
71.01379	1.6
72.97173	0.3
79.95746	0.4
83.01406	0.4
96.95998	5.2
98.20575	0.5
115.00352	0.4
124.01658	2.2
127.90826	0.4
136.01701	1.0
137.02431	4.6
137.25864	0.3
138.03143	1.1
139.04005	1.8
150.03197	0.9
151.03992	3.3
152.04782	76.0
153.05121	3.8
165.62006	0.3
167.03537	2.2
167.04799	0.4
167.07132	8.3
177.01865	1.9
178.02640	1.1
188.27420	0.5
193.05042	7.5
194.05295	0.7
196.03745	18.2
197.04103	0.8
201.31653	0.4
211.06099	100.0
212.06450	6.4
241.00203	0.8
257.14160	0.8
276.46188	0.4
345.43179	0.3
362.53851	0.4
373.07181	0.5
373.11566	7.9
374.05469	1.7
374.11438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
55.01898	0.6
59.01379	4.2
61.98822	0.9
70.71432	1.7
71.01366	2.0
72.99346	0.7
79.95743	1.3
83.01397	2.9
83.76347	0.6
85.02952	1.1
95.95243	0.7
96.96011	21.5
101.02415	1.1
109.02961	1.3
114.05602	0.6
115.00371	0.7
121.02908	0.7
123.00848	0.7
123.04520	1.8
124.01657	2.4
124.12244	0.6
133.01424	0.7
136.01654	2.4
136.05315	0.8
137.02428	5.3
138.03171	0.8
138.97069	1.0
139.03998	2.0
150.03236	1.7
150.53157	0.5
151.04001	11.9
151.05121	0.8
152.04787	100.0
153.05545	7.9
165.01889	0.7
165.05553	1.7
167.03506	0.8
167.07129	14.3
168.07408	0.6
177.01909	2.3
178.02675	3.8
180.00618	2.4
180.04276	0.7
193.05032	10.7
194.05251	0.9
195.02982	5.8
196.03745	23.6
197.04320	1.7
211.06105	83.8
212.06448	6.6
241.00165	1.6
257.13937	1.5
358.08984	1.2
373.11456	71.1
374.05688	3.4
374.11703	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16863	0.4
57.03429	0.5
59.01377	5.2
61.98825	1.0
63.08536	0.3
70.14649	0.7
70.15060	1.0
71.01376	5.3
71.45235	0.3
71.72937	0.3
72.99313	0.7
73.02946	1.5
74.02470	0.6
74.99057	0.4
78.95898	0.6
79.95733	2.7
80.96518	1.8
83.01383	2.2
85.02940	1.5
87.00863	1.1
95.95249	0.6
96.96005	84.2
97.95977	0.4
98.20557	0.5
101.02436	4.7
102.13065	0.4
109.01749	0.5
109.02949	2.3
113.02491	0.8
115.00331	1.9
120.01178	0.4
121.02982	0.7
122.97549	0.9
123.02737	1.4
128.03546	0.4
133.01422	1.9
135.04530	0.8
138.97076	1.7
145.01424	5.9
145.02591	0.6
145.03023	0.5
150.97081	1.3
151.03970	0.5
152.01190	0.4
152.03529	1.0
154.76100	0.3
155.10786	2.0
161.04619	0.4
162.03293	0.4
164.98630	0.5
167.87411	0.3
173.04556	0.7
180.98122	0.8
183.10309	0.5
187.04007	1.5
198.99129	0.4
199.09714	1.4
219.06561	0.4
220.37883	0.5
237.13141	0.7
239.12863	1.1
241.00171	2.9
246.88564	0.4
257.08127	0.6
257.14008	3.3
257.19403	0.4
263.05649	1.0
314.08029	0.4
329.10504	1.2
373.11682	100.0
374.12039	10.1
374.17068	0.7
374.18298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.8
60.17496	0.7
70.73011	0.8
71.01374	13.6
71.51729	1.0
72.01697	0.8
73.02932	3.6
73.35375	0.8
80.05034	1.4
83.01386	2.6
84.01736	0.8
84.46500	0.9
85.02925	1.6
89.02425	3.6
93.99225	0.9
94.06615	2.2
96.95962	1.7
101.02446	15.8
104.05065	8.3
106.06605	1.2
107.03770	6.1
107.74180	0.9
108.02183	0.9
108.04565	9.2
113.02435	1.6
115.00387	4.4
116.05074	1.0
119.03467	1.2
120.04511	1.1
122.06115	36.4
123.06462	1.4
124.07632	1.9
130.08693	0.9
132.04546	72.0
133.01421	1.6
133.04883	2.9
134.06116	3.4
139.02756	1.1
144.04550	1.1
145.01419	20.1
146.01759	0.8
148.04019	7.3
150.05571	1.3
152.01143	2.6
152.07161	92.6
152.58203	0.8
153.07480	3.6
155.10808	2.2
160.03999	0.9
174.03214	0.9
176.03510	11.0
179.03441	0.9
181.97549	0.8
188.03482	1.7
196.05110	0.8
208.06117	5.4
213.09187	2.0
215.67876	0.8
228.57101	0.8
231.10172	2.6
234.47147	0.9
237.52267	0.8
257.08182	7.6
257.13861	1.3
269.12921	6.0
270.13361	1.1
273.12439	7.6
281.25034	0.9
297.12415	28.4
298.12659	4.0
313.11728	3.9
314.60199	1.0
331.17508	1.1
341.11374	100.0
342.11691	11.7
351.51367	0.8
362.86938	0.8
373.13934	20.1
374.14322	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88555	0.8
54.11684	0.8
55.01875	4.0
57.03445	1.1
59.01375	34.6
61.98820	1.2
62.54451	0.8
71.01377	22.6
73.02952	7.8
79.95727	1.1
83.01382	100.0
84.01725	2.6
85.02951	2.6
87.00856	11.5
87.04501	2.1
89.02460	1.0
89.83472	0.8
93.03468	3.9
96.96004	3.1
97.06576	1.0
98.95580	1.4
115.00373	12.7
121.02944	27.3
123.00884	3.9
127.04023	1.0
129.09190	0.9
133.01424	7.2
133.02960	1.5
135.04514	7.7
136.05301	31.7
137.05672	1.8
138.03229	2.4
147.04575	1.4
149.25806	0.8
159.04486	1.0
161.06088	1.6
168.04271	12.8
168.05571	1.5
173.04411	1.0
179.03490	5.4
191.05609	18.0
192.05981	1.7
209.05789	0.8
209.08237	1.0
211.07602	2.2
213.09341	1.2
225.05630	1.2
225.09164	1.4
227.10632	1.1
229.08691	1.6
235.09756	6.2
239.07182	1.5
241.12349	1.0
253.08752	2.1
254.09473	2.4
255.06635	2.4
255.15997	69.1
256.16400	6.4
267.10361	1.4
283.13257	7.5
309.14960	2.0
311.12885	4.8
312.13269	1.4
313.08304	1.7
327.12726	1.2
327.16016	6.3
356.12646	9.1
357.13004	1.1
371.15042	49.0
371.24564	3.3
372.15378	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	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
59.01381	5.8
71.01379	44.9
72.01726	1.1
73.02940	51.4
74.32247	0.8
83.01382	100.0
84.01705	3.3
85.02953	1.9
87.00864	7.5
87.04514	1.6
88.00359	0.9
88.34759	0.7
93.03443	2.7
93.10598	0.7
96.96006	2.9
115.00361	18.0
116.00653	0.8
121.02950	28.3
123.00886	4.3
123.08203	1.2
126.90223	0.8
133.01442	4.9
135.04485	4.6
136.05295	34.1
137.05937	1.0
138.03212	3.3
147.04533	1.3
161.06119	1.1
167.10770	1.5
168.04253	10.6
179.03474	3.1
181.12340	4.4
191.05595	9.3
193.04790	0.8
193.15883	1.3
211.07712	0.8
227.10738	1.2
235.09753	6.9
236.10062	1.3
239.07117	1.3
254.09351	1.1
255.06583	1.4
255.15999	88.8
256.16345	7.6
283.13318	4.9
284.13831	1.2
309.14975	1.3
311.12878	3.8
312.13412	1.3
327.16061	2.5
356.12610	9.7
371.14972	51.8
371.24445	2.6
372.15228	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09505	0.8
61.98825	100.0
63.97427	0.7
75.76418	0.8
76.54133	0.9
77.79465	0.9
81.92812	0.7
83.01382	21.1
84.01718	5.0
87.84377	1.0
98.19833	1.0
112.33561	0.9
121.02966	5.5
122.03291	1.9
136.05273	4.8
137.05603	2.8
143.65659	0.8
168.04204	1.8
258.55978	0.7
357.12955	3.1
366.63611	0.8
372.15292	12.3
373.15894	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99319	1.6
52.46049	1.3
56.70214	1.4
59.01369	1.6
61.98827	100.0
70.65829	3.9
75.00871	2.6
83.01387	30.0
84.01711	6.0
121.02969	7.0
122.03267	2.7
136.05273	7.1
137.05600	4.9
161.50081	1.3
168.04272	2.6
169.04648	2.3
226.53099	1.5
292.76526	1.3
357.12863	2.5
372.15381	19.4
393.41455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72366	0.9
61.98829	100.0
69.48437	5.7
83.01383	25.5
84.01717	6.3
121.02946	6.3
122.03255	2.1
123.00895	1.9
136.05298	5.8
137.05608	3.0
146.77850	1.0
168.04228	2.6
169.04625	1.7
175.60477	0.9
180.90393	1.0
210.72719	1.3
357.12845	3.0
372.15314	18.2
373.15671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
58.93468	0.6
59.01375	100.0
60.01705	1.5
65.94815	0.6
69.59113	1.2
69.59524	3.2
71.01383	1.6
79.57777	0.6
79.76649	0.7
83.01382	34.2
84.01751	0.7
85.02961	1.0
88.74685	0.6
96.95994	4.6
115.00395	1.1
121.02946	9.5
123.00890	1.4
130.08784	1.0
133.01442	0.9
136.05287	9.8
138.03275	0.9
168.04243	3.1
177.87456	0.6
182.21104	0.6
186.98415	0.6
222.59172	0.6
235.09886	1.2
275.94904	0.7
356.12857	2.7
371.10367	4.6
371.15152	14.1
372.15430	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.47293	0.3
59.01370	3.6
61.73311	0.4
61.98813	0.8
62.68779	0.4
70.85442	1.0
71.01378	3.9
72.10133	0.4
73.02950	0.7
79.69772	0.4
79.95736	2.2
80.96499	2.2
83.01383	33.8
84.01703	0.7
85.02962	0.5
87.00900	0.9
95.95270	0.5
96.96006	73.0
97.95930	0.4
101.02448	1.4
116.96887	0.4
121.02958	8.7
122.97620	0.5
123.00904	1.2
136.05295	10.8
138.97041	1.1
150.97093	1.1
153.07416	1.2
160.01579	0.5
168.04276	3.4
180.98077	0.7
186.06883	0.8
197.06087	0.6
198.06642	0.4
199.13531	0.5
201.05533	0.4
211.07593	0.8
215.07176	0.5
226.09869	0.8
227.07027	0.5
229.08571	0.5
235.09697	1.5
241.00177	2.7
254.09435	0.5
255.06451	0.5
255.10223	0.9
255.13809	0.7
264.54514	0.5
270.12500	0.8
281.15482	0.7
283.13376	1.3
288.46667	0.5
299.12811	0.5
299.16336	1.1
309.14850	1.1
312.28738	0.4
327.16025	3.0
343.15503	1.3
356.12564	3.3
371.13867	100.0
371.23434	2.5
372.14258	9.4
372.24435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
59.01375	2.8
60.40038	0.3
60.87466	0.3
62.65207	0.3
70.86314	0.8
71.01374	1.8
72.99290	0.3
73.02944	0.5
79.95744	1.9
80.96514	1.8
83.01382	11.8
85.02932	1.0
87.00864	0.4
95.95266	0.5
96.96004	77.6
100.88330	0.3
101.02431	1.3
121.02934	2.8
122.97583	1.3
123.00846	0.5
136.05289	4.0
138.97003	1.4
150.73819	0.3
150.97089	1.5
164.98640	0.6
168.04253	1.1
180.98120	1.0
190.55525	0.3
198.99203	0.5
209.54932	0.3
235.09760	0.7
241.00180	2.6
258.25284	0.3
283.13364	0.3
327.16046	0.4
356.12741	1.2
371.13785	100.0
372.14090	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	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88555	0.8
54.11684	0.8
55.01875	4.0
57.03445	1.1
59.01375	34.6
61.98820	1.2
62.54451	0.8
71.01377	22.6
73.02952	7.8
79.95727	1.1
83.01382	100.0
84.01725	2.6
85.02951	2.6
87.00856	11.5
87.04501	2.1
89.02460	1.0
89.83472	0.8
93.03468	3.9
96.96004	3.1
97.06576	1.0
98.95580	1.4
115.00373	12.7
121.02944	27.3
123.00884	3.9
127.04023	1.0
129.09190	0.9
133.01424	7.2
133.02960	1.5
135.04514	7.7
136.05301	31.7
137.05672	1.8
138.03229	2.4
147.04575	1.4
149.25806	0.8
159.04486	1.0
161.06088	1.6
168.04271	12.8
168.05571	1.5
173.04411	1.0
179.03490	5.4
191.05609	18.0
192.05981	1.7
209.05789	0.8
209.08237	1.0
211.07602	2.2
213.09341	1.2
225.05630	1.2
225.09164	1.4
227.10632	1.1
229.08691	1.6
235.09756	6.2
239.07182	1.5
241.12349	1.0
253.08752	2.1
254.09473	2.4
255.06635	2.4
255.15997	69.1
256.16400	6.4
267.10361	1.4
283.13257	7.5
309.14960	2.0
311.12885	4.8
312.13269	1.4
313.08304	1.7
327.12726	1.2
327.16016	6.3
356.12646	9.1
357.13004	1.1
371.15042	49.0
371.24564	3.3
372.15378	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	369.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.8
59.01372	3.8
59.56875	0.9
61.49539	0.9
61.98815	3.3
70.99901	1.2
71.00270	1.9
71.01376	42.8
71.05012	1.3
72.99314	1.3
73.02945	12.8
78.66977	1.2
79.95742	3.3
80.96510	2.0
83.05023	2.1
85.02937	1.8
87.00890	1.4
87.04517	2.1
95.95242	1.6
96.96002	91.5
97.06588	1.7
98.19973	1.1
99.04478	1.5
101.02431	2.0
115.00365	22.5
121.37736	1.0
123.08158	4.2
133.01425	2.1
135.11806	2.1
138.97055	1.9
147.11797	8.4
150.97014	1.3
151.03862	1.4
163.11246	1.0
165.12825	4.2
165.14163	1.1
173.13341	11.4
191.05540	1.5
191.10747	1.8
191.14418	2.8
209.11809	4.2
209.15488	3.3
235.13319	11.7
236.13632	1.1
241.00243	2.4
253.14442	71.5
254.14790	6.6
254.91682	1.0
261.65015	1.0
369.12189	100.0
369.22534	3.7
370.12576	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	370.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
58.65673	1.0
59.01402	1.3
61.98825	100.0
70.02010	2.2
70.02396	2.8
70.83106	1.0
71.04191	1.0
75.69755	1.0
83.01381	70.6
85.61207	1.2
91.04684	1.4
93.03443	2.0
118.96625	1.1
121.02951	21.2
123.00851	2.4
126.43430	1.2
136.05286	23.8
138.03220	1.6
144.28816	1.1
168.04286	8.5
189.72955	1.2
235.09789	5.2
236.84338	1.2
356.12582	7.4
371.14932	39.1
371.19641	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
59.01366	1.3
61.98827	100.0
71.01357	0.9
83.01382	41.3
89.24612	0.5
94.19160	0.6
98.20697	0.9
121.02948	20.3
121.89142	0.5
123.00875	1.8
136.05292	12.7
137.06104	0.8
138.03183	0.7
138.22719	0.5
158.23074	0.5
168.04262	6.2
179.03587	1.1
205.93129	0.6
231.17523	0.6
235.09740	2.7
264.44226	0.6
273.95703	0.6
277.56946	0.6
322.29175	0.6
356.12524	4.1
371.07690	1.5
371.14966	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
56.61355	0.6
57.22555	0.7
59.01370	2.9
69.22732	0.6
69.61333	4.5
71.01375	2.1
72.99286	1.2
83.01385	53.8
84.01714	1.3
84.47121	0.6
85.02950	7.6
87.00885	2.3
88.28459	0.7
89.02442	0.8
93.03462	3.1
101.02460	0.7
110.08574	0.8
111.04514	1.1
115.00406	0.9
121.02155	1.3
121.02951	12.6
123.00854	1.4
127.04032	1.5
133.01434	1.7
136.05289	14.6
138.03233	1.1
147.04553	1.0
168.04286	4.5
173.04561	1.2
191.05612	100.0
192.05948	5.3
209.08267	1.2
235.09685	3.4
257.06766	0.7
276.33139	0.7
293.14050	0.7
356.12527	4.3
371.14944	22.3
372.15109	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	371.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.5
69.62418	3.8
71.01330	0.7
71.33387	0.6
77.79422	0.6
83.01387	1.9
85.02945	9.4
87.00871	2.5
93.03448	2.7
103.94910	0.6
109.02934	0.8
127.03979	2.1
129.51686	0.6
136.77565	0.6
171.02991	0.8
173.04565	0.8
191.05594	100.0
192.05942	4.5
276.47159	0.6
280.31250	0.6
371.14874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.5
59.01380	4.2
61.98812	1.2
65.55245	0.7
67.27454	0.7
70.60236	1.0
70.60561	1.4
71.01375	31.5
71.05040	0.7
72.01717	0.7
73.02943	57.2
73.47172	0.8
74.03288	1.0
81.03427	0.8
83.05025	4.4
85.02965	0.7
87.04507	2.6
94.16080	0.8
95.05007	1.0
96.96000	15.9
97.06570	3.2
99.00842	0.7
109.06587	1.0
111.08139	0.8
115.00360	25.1
115.52843	0.7
119.08651	0.8
120.58859	0.7
123.08116	0.9
128.93962	0.7
133.01410	2.0
133.02980	1.0
135.11792	13.0
147.11792	6.6
165.12830	6.7
173.13332	10.7
174.13673	1.3
178.02667	1.1
179.10696	2.8
191.05501	0.8
191.10699	4.1
191.14381	2.7
200.84998	0.7
209.11818	6.7
209.15442	1.9
231.62569	0.8
235.13185	0.8
253.14424	100.0
254.14769	9.6
272.67490	0.7
279.81500	0.8
299.24219	0.9
369.12173	23.7
369.22681	4.9
370.12436	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	369.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.2
59.01370	4.0
61.98837	1.3
65.81931	0.5
71.01380	18.8
71.05009	0.7
71.51456	0.6
72.01720	0.7
72.99307	1.2
73.02943	23.8
75.00874	3.4
79.95741	3.9
80.96510	2.2
83.05038	2.9
85.02943	2.6
87.00901	0.7
87.04506	1.4
89.02441	0.7
95.95229	2.4
96.96006	100.0
97.06596	1.9
99.00838	0.9
101.02422	1.9
115.00376	9.3
122.97569	1.6
123.08168	0.7
129.01956	1.5
133.01489	0.8
135.07941	0.5
135.11810	8.5
136.12157	0.7
138.97075	1.6
147.11786	3.3
150.97202	1.2
159.02957	0.7
165.12836	3.4
168.98149	1.1
171.05582	0.6
173.13342	4.9
174.13759	0.7
177.04048	11.7
191.10774	1.9
191.14423	1.4
194.99638	0.9
201.14949	6.9
209.11774	4.7
209.15521	1.2
213.00703	1.5
235.13382	1.6
241.00198	1.8
253.14426	48.3
254.14737	4.9
256.99750	6.6
309.20792	0.9
369.12198	96.5
370.12448	8.3
370.22971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63192	0.7
57.03446	0.9
58.00650	0.8
59.01373	2.2
69.17875	6.5
71.01379	45.8
72.01768	1.2
72.02157	15.2
73.02939	4.0
79.95721	0.9
80.96543	1.0
81.03430	0.8
85.02941	1.5
87.00869	0.7
87.04512	10.3
96.96003	16.6
97.06565	0.9
107.87815	0.6
110.01896	0.6
111.08103	0.6
115.00366	18.0
121.10208	0.7
123.08151	1.6
133.01396	1.0
133.02927	1.0
135.08105	1.0
161.02417	2.3
165.12869	1.6
167.10712	1.1
181.12303	1.4
191.14494	3.1
192.14537	0.7
209.15486	8.2
210.15732	1.3
253.14429	100.0
254.14793	9.9
369.12109	20.6
369.18967	1.2
369.22815	2.1
370.12527	2.0
377.15640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11300	0.2
55.01879	0.4
55.43219	0.2
57.03443	1.8
59.01377	2.9
60.50693	0.3
61.98825	0.4
69.14458	1.2
69.14883	1.0
71.01378	8.4
71.05017	0.3
72.01711	0.3
72.99306	0.7
73.02946	2.3
79.95740	2.7
80.96508	2.2
81.03484	0.4
83.01377	0.4
83.05025	0.3
85.02939	1.6
87.00869	0.4
87.04488	0.3
89.02435	0.3
95.01361	0.2
95.95234	0.9
96.96003	86.7
97.06581	0.4
97.95928	0.4
98.20699	0.4
101.02448	2.0
113.02444	0.6
114.66385	0.2
115.00361	4.3
122.97617	1.5
123.08135	0.5
129.89323	0.3
133.01434	0.8
135.11827	0.3
138.97052	2.5
147.11781	1.0
150.97046	1.7
164.64650	0.2
164.98625	0.8
165.12801	0.5
173.13316	1.0
180.98073	0.7
182.21063	0.2
191.10683	0.3
191.14388	1.2
198.99205	0.6
209.11740	0.5
209.15439	0.6
235.13312	1.5
241.00200	2.6
253.14421	10.3
254.14699	1.0
283.12396	0.2
369.12183	100.0
370.12491	10.6
370.23047	0.3
385.32007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	33.4
59.01374	3.8
61.98832	2.8
62.29508	1.4
69.49044	10.0
71.01379	87.0
72.01716	2.3
73.02934	19.0
79.95758	1.4
83.05018	4.8
96.96004	40.3
97.06580	1.5
98.19849	2.4
99.04506	3.1
115.00363	44.0
123.08147	6.2
133.01428	2.5
133.03014	1.9
135.11786	2.3
139.86575	1.8
147.11772	15.8
165.12900	6.4
173.13335	26.1
174.13666	2.3
178.02582	1.5
179.03445	1.5
179.10744	2.1
191.10745	3.3
191.14401	6.5
209.11780	10.8
209.15477	4.8
219.07301	1.3
235.13353	21.7
236.13608	2.5
241.00217	2.1
253.14433	100.0
254.14757	11.9
283.13406	2.0
369.12231	42.0
369.22693	5.4
370.12610	2.5
370.23215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23012	0.4
51.79364	0.3
55.55733	0.3
57.03435	0.5
59.01368	2.4
59.58319	0.4
61.98839	0.4
64.47974	0.3
65.71498	0.3
69.38905	0.3
69.39156	2.7
71.01377	5.3
71.30216	0.3
72.99311	0.7
73.02924	0.8
75.00864	3.3
75.81562	0.4
78.24773	0.3
79.95719	3.2
80.96514	1.4
83.01342	0.4
85.02958	2.3
87.00868	0.6
89.02448	0.8
95.95239	2.8
96.96003	100.0
99.00887	1.1
99.54711	0.4
101.02428	1.5
109.06541	0.4
111.00815	0.3
115.00359	1.1
117.05538	0.3
122.97543	0.8
129.01941	1.8
133.01373	0.5
134.03650	0.4
138.97054	1.4
142.68422	0.3
143.79968	0.4
150.97041	0.8
159.02982	1.1
159.04311	0.3
164.98663	0.5
168.98061	0.8
177.04016	15.1
178.04362	0.4
180.98045	0.6
194.99696	0.6
198.99319	0.4
199.86011	0.4
213.00752	1.2
222.70831	0.4
232.22198	0.3
233.65794	0.3
241.00217	1.3
253.14485	1.4
253.38303	0.4
256.99710	6.5
325.14468	0.5
358.13171	0.4
369.12186	95.4
370.12485	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	368.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61890	1.2
55.91724	1.3
56.80018	1.5
59.01375	4.2
61.98826	100.0
71.08491	3.3
71.60808	1.3
74.82578	1.4
84.12917	1.5
85.19631	1.3
85.26091	1.5
358.78537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2638
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.02790	0.6
59.01379	1.0
61.20592	0.6
61.98824	0.8
63.36868	0.6
66.44328	0.6
69.21861	6.0
75.45088	0.7
88.42326	0.6
90.85579	0.7
94.09158	0.6
98.20685	1.2
99.29187	0.7
104.41570	0.7
133.06577	8.0
134.06940	0.8
141.92854	0.6
149.09703	73.7
150.10031	3.9
150.87582	0.6
155.96230	0.6
175.26360	0.8
194.09366	0.7
205.15947	42.2
206.16309	3.7
225.75916	0.6
259.89713	0.7
263.79483	0.6
295.17035	2.4
315.33530	0.7
328.16913	1.3
367.26392	100.0
368.26740	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	367.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01727	0.9
61.98835	1.3
69.83736	1.4
69.84151	0.9
71.01371	3.0
75.25031	0.4
80.96536	0.4
93.03468	0.5
96.96043	1.1
110.07355	0.4
115.00381	2.6
119.05044	1.1
133.01389	2.0
133.03099	0.4
134.76295	0.4
135.04602	0.5
187.13402	4.5
207.13918	3.2
233.15445	1.0
251.12831	6.1
252.13197	0.6
264.14124	0.4
273.40356	0.5
307.19388	0.5
325.20209	0.5
367.21402	1.5
368.24609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44392	0.9
71.42503	1.7
72.57999	0.8
74.61732	0.9
76.61124	0.8
89.75637	0.8
98.64760	0.8
133.06619	1.5
149.09700	83.4
150.10027	4.3
177.40109	0.8
205.15945	84.4
206.16293	7.7
214.39017	0.8
215.18948	0.8
322.05676	0.9
359.55557	0.9
364.45627	0.9
367.26376	100.0
368.26675	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	367.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.3
61.98813	0.5
69.15313	0.6
69.15719	3.0
71.01376	1.0
79.99437	0.4
88.47523	0.3
96.96015	0.5
110.57241	0.3
115.00352	0.5
121.02944	0.9
131.52783	0.4
147.04495	1.9
148.05295	100.0
149.05614	4.9
163.07639	69.4
164.07959	3.7
219.04285	0.4
260.56631	0.4
271.92044	0.4
275.79364	0.4
286.64771	0.5
323.21295	1.1
367.20703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12301	1.9
59.01379	7.5
61.98829	100.0
69.16406	2.0
69.38200	18.1
69.98360	2.1
71.01387	2.5
83.00203	2.2
84.50584	2.4
89.37639	1.9
96.96031	2.8
99.97543	2.2
112.03902	2.2
136.17262	2.1
144.60551	2.0
209.60036	2.4
213.68114	2.4
220.42032	2.3
257.34146	2.2
291.19553	3.8
292.86093	2.2
309.20801	4.3
367.16565	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60227	0.1
57.03438	0.1
59.01378	6.7
60.01710	0.3
68.75347	0.1
70.11003	0.5
71.01374	1.1
73.02951	0.2
82.89495	0.1
83.01375	0.1
85.02948	0.2
91.05524	2.1
96.95995	0.2
99.00870	0.2
101.02466	0.6
101.03967	5.4
109.67947	0.1
113.02428	0.4
117.03467	2.7
118.03776	0.1
119.05023	100.0
120.05358	4.4
120.06230	0.2
135.04483	0.1
159.03011	0.1
159.88716	0.1
161.04567	1.1
163.04001	4.8
164.04352	0.4
199.83527	0.2
203.05605	0.1
307.17517	0.9
367.10345	2.7
367.14743	0.3
368.10623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17245	0.2
54.36729	0.2
55.01869	0.3
59.01377	34.4
60.01720	0.4
61.98830	3.6
71.01379	4.2
71.51593	0.3
72.99300	0.2
73.02950	0.7
83.01362	0.4
85.02958	1.0
89.02432	0.3
91.05536	0.9
96.96019	0.9
101.02459	1.0
101.03964	4.6
113.02447	0.9
113.33770	0.2
115.00363	1.4
117.03465	2.9
119.05023	100.0
120.05350	5.5
133.01427	1.7
135.04529	0.6
143.03506	0.2
159.02975	0.2
161.04555	2.8
163.03976	3.9
163.11317	0.3
164.04256	0.2
175.11252	0.5
178.83667	0.2
179.03493	0.5
187.11200	0.3
205.12292	2.8
206.12511	0.3
251.12938	0.5
307.08069	0.3
325.74286	0.2
367.10336	4.1
367.14282	0.7
368.10669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Methyl-4-O-caffeoylquinate
Peak:m/z	Relative Intensity
59.01378	4.3
61.98833	0.9
69.03465	0.5
69.70288	0.9
69.70698	2.0
71.01390	4.5
71.05016	7.9
72.99317	0.5
75.57907	0.4
79.95727	1.0
81.03474	0.5
83.05045	0.6
86.79221	0.4
87.04508	1.6
96.95380	1.0
96.96007	19.6
99.04498	0.6
99.08156	15.1
100.08463	0.5
107.05028	1.3
109.02940	0.7
113.06087	0.7
115.00373	2.8
115.07645	18.2
116.07970	0.5
117.03467	0.6
119.05021	0.6
129.05554	0.9
133.01411	1.5
133.02910	0.6
134.03749	4.2
135.04514	80.0
136.04843	4.6
140.03389	0.4
143.07127	10.0
149.04300	1.4
153.91565	0.5
159.06587	0.7
159.11768	0.4
161.02461	1.1
179.03487	100.0
180.03825	6.0
193.03137	0.7
205.07121	6.9
205.12280	0.5
227.88350	0.5
239.11076	0.5
251.12878	1.8
259.87317	0.4
307.17383	0.5
323.22400	0.5
337.20102	0.8
367.10861	4.1
367.17450	7.3
367.22101	3.7
368.10834	0.7
368.18112	0.8
377.54517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55430	0.7
69.55842	0.6
71.38048	0.2
72.18838	0.2
82.19044	0.2
98.19903	0.3
114.68280	0.2
116.05046	3.2
117.05573	0.5
122.81366	0.2
132.04584	0.2
159.03256	0.3
160.04024	100.0
161.04375	5.3
192.13713	0.2
203.90417	0.2
204.02994	4.3
249.06235	0.5
366.08224	20.5
367.08557	2.3
367.12418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91919	0.4
59.01377	2.3
61.98827	100.0
70.74448	1.3
71.01377	4.6
72.99319	0.8
89.02462	0.9
96.96006	5.2
97.06514	0.4
99.00892	0.7
103.85009	0.5
107.08295	0.5
113.02513	0.5
114.54015	0.5
115.00371	2.9
115.76183	0.5
117.01949	0.8
119.05006	1.5
120.99637	0.5
133.01411	3.5
135.04523	0.6
135.44229	0.5
142.99847	1.0
144.08295	0.7
153.05540	0.6
156.20639	0.5
159.04558	0.6
167.07164	0.9
173.00974	0.5
174.01726	0.8
178.08813	0.7
179.03590	0.5
205.12387	1.3
213.11339	0.7
225.07742	1.0
250.07277	2.8
255.70442	0.5
294.40506	0.4
294.82806	0.6
349.72806	0.5
367.10626	6.7
381.11102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93743	0.6
59.01380	6.4
61.98834	1.2
69.03487	0.8
69.41559	4.4
71.01382	6.8
71.05015	8.6
71.99287	0.6
72.99299	0.7
79.95729	0.9
83.05028	0.8
87.04526	0.8
96.96008	22.9
99.08152	16.6
101.06049	0.8
107.05035	1.5
113.06070	1.0
115.00409	3.0
115.07648	19.0
116.07938	0.7
119.05077	1.3
129.05550	1.2
133.01404	2.0
134.03734	4.0
135.04520	80.5
136.04860	4.1
143.07135	12.0
144.86690	0.6
145.08653	0.8
149.04263	3.4
156.86165	0.5
159.06570	0.8
161.02467	1.3
175.68420	0.7
179.03488	100.0
180.03807	5.5
189.12769	0.6
193.03223	1.1
199.09772	0.6
205.07130	6.3
205.12276	2.3
251.12872	3.1
275.30029	0.7
307.10364	0.8
337.20288	1.3
367.10706	4.5
367.17593	9.1
367.21338	2.0
368.18060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31074	0.5
55.01853	1.0
57.03437	0.5
59.01379	22.6
61.98817	0.5
70.70665	1.4
71.01011	0.9
71.01379	11.9
71.05025	0.5
72.99279	0.9
73.02945	3.5
73.03288	0.7
77.57922	0.4
81.00254	0.7
83.01389	3.0
83.05006	0.6
85.02930	4.3
87.00845	1.0
89.02444	3.3
95.01393	0.7
96.95979	1.2
99.00861	1.2
101.02435	9.7
107.55844	0.5
113.02434	3.8
115.00388	3.0
116.73981	0.5
119.03487	0.9
127.11243	0.6
133.01430	6.5
139.11296	0.9
157.12341	2.7
159.03084	0.6
159.22810	0.5
161.04504	0.7
181.08691	8.7
182.08940	0.6
185.11823	1.8
185.71838	0.6
195.24100	0.5
197.04353	0.5
203.12877	6.7
204.13283	0.6
216.98579	0.5
220.90169	0.5
347.16992	1.4
365.18118	100.0
366.18463	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1966
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
55.01877	2.2
55.61977	0.4
57.03450	3.4
57.87393	0.4
58.00599	1.0
59.01377	10.2
60.01705	0.5
61.98816	1.3
65.03954	0.9
67.01878	1.5
69.03452	1.9
70.48309	1.4
71.01379	21.1
72.02156	1.2
72.99304	4.1
73.02941	6.6
75.00873	3.2
77.03946	0.9
80.02681	0.4
83.01377	2.0
83.05015	0.4
85.02940	6.5
86.00089	1.1
87.00862	1.7
89.02427	1.5
93.03461	7.7
95.01394	1.6
95.05019	100.0
96.05343	4.4
96.96012	1.2
97.02994	0.8
97.06599	0.9
101.02432	0.8
103.00369	0.7
108.14524	0.4
109.06547	0.4
112.01669	2.5
113.02451	2.9
115.00353	1.6
118.04225	0.8
118.95142	0.4
121.02979	1.0
121.06549	1.0
129.01907	0.4
130.99863	2.1
131.03470	0.8
133.01422	2.8
133.02792	0.4
135.04480	0.6
137.06049	0.5
149.06085	1.1
153.09267	0.6
160.05324	0.5
168.75610	0.4
173.11783	0.8
176.04807	2.1
194.78944	0.4
205.08698	2.4
207.13791	2.2
209.15448	2.2
233.15454	6.1
234.15819	0.7
235.17021	2.1
249.14804	0.7
251.16487	4.3
275.16522	0.5
277.18066	1.2
289.18008	0.6
300.33298	0.4
305.17651	2.4
307.18997	0.6
321.17072	0.9
323.18643	5.2
324.18878	0.7
329.23138	0.6
347.18512	2.0
365.19644	61.7
366.15646	0.9
366.19958	9.0
367.12814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2692
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.86720	0.9
55.65947	0.9
59.01368	4.2
60.64849	1.2
72.51453	0.8
85.06567	2.1
90.70571	0.9
98.19769	1.6
171.85371	0.9
183.00766	1.0
199.13428	1.5
229.07643	1.1
279.19617	18.3
280.19937	2.0
347.25867	6.9
348.26486	1.3
365.26947	100.0
366.27292	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	366.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.0
61.98822	1.0
70.13967	0.8
70.14388	1.3
71.01378	22.6
72.01718	0.5
72.99304	3.6
73.02928	1.5
75.00862	0.9
85.02955	1.5
87.00883	1.7
89.02444	3.0
93.03450	1.1
96.96008	1.4
98.95596	4.3
98.96429	0.6
99.00884	0.6
101.02443	2.4
101.03977	1.5
109.39133	0.4
111.04500	0.6
113.02438	1.4
115.00366	43.7
115.07644	2.5
116.00715	0.9
116.05058	0.5
116.08009	1.0
117.03464	0.6
119.03759	0.5
119.05021	26.7
133.01422	100.0
134.01767	2.9
134.03758	0.6
135.04512	0.8
142.06627	4.8
145.01395	1.2
158.06105	0.9
161.04550	0.8
162.00195	2.6
163.03999	2.9
164.01753	23.8
165.01999	1.0
168.79361	0.4
173.14761	0.4
180.67813	0.5
186.05612	1.4
187.11435	0.4
191.05592	1.9
204.01187	0.6
204.06616	1.3
206.02747	3.4
206.82053	0.4
212.28214	0.5
214.98686	0.4
232.00703	3.4
250.01775	17.4
251.02072	1.1
307.17712	1.4
365.14258	1.0
365.18372	1.1
366.07718	6.3
366.11920	3.8
366.15454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95798	3.4
56.94404	4.1
59.01378	100.0
59.84483	3.7
60.01699	11.9
61.01807	5.0
61.98828	82.8
69.18860	7.2
69.19260	32.6
82.96615	4.0
83.09603	4.0
86.78191	3.7
102.98940	4.1
108.78257	4.4
117.77829	4.0
121.28938	4.2
142.92653	3.8
219.07008	7.6
220.07001	9.6
288.13544	11.0
292.38049	3.7
302.16907	4.7
303.16385	9.1
304.16592	73.4
305.16278	5.9
352.67456	3.5
373.60309	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	364.9632
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86520	0.4
59.01376	5.9
60.01712	0.4
61.98826	100.0
62.05903	0.4
63.99262	0.8
67.47645	0.4
67.75352	0.4
71.49617	0.6
78.91902	0.9
80.91675	0.8
121.03053	0.5
135.95662	0.8
178.98506	1.0
180.94153	7.6
203.02353	0.7
206.97440	4.8
219.97673	1.6
220.99773	2.8
222.95189	67.8
223.95262	0.9
223.97168	1.0
236.05701	0.4
267.23264	0.4
334.81256	0.5
364.96466	1.6
365.96558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.17579	1.2
59.01367	5.1
62.14905	1.2
68.73505	1.3
71.01364	9.3
71.41566	2.2
72.99286	1.9
80.06329	1.3
85.02930	9.4
87.00884	2.3
93.03462	3.4
94.63181	1.4
99.00887	3.9
111.00861	3.4
112.98795	16.1
113.99035	1.3
115.00383	2.9
119.49182	1.4
127.03974	2.1
129.01898	3.1
133.01407	3.0
142.99825	18.5
173.00877	15.1
191.05597	100.0
192.05905	4.6
223.28714	1.4
283.71692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03443	1.7
58.02974	1.2
59.01378	53.2
61.98813	2.6
62.16282	0.9
69.29303	0.7
69.97327	1.1
69.97719	2.2
71.01380	23.8
72.99303	2.2
73.02943	7.3
75.00867	0.9
83.01392	4.4
85.02945	10.3
87.00865	2.3
89.02451	3.3
95.01389	1.7
96.96012	5.3
97.02927	0.9
98.20549	1.0
99.00864	1.4
101.02445	17.4
102.02796	0.8
109.01712	0.8
111.00840	0.8
113.02438	7.9
115.00359	5.6
119.03456	1.3
129.78265	0.6
133.01430	10.4
135.04469	1.0
138.05511	1.0
147.04611	0.9
157.12317	1.4
161.04544	5.1
161.05885	1.0
172.33580	0.7
185.11739	4.3
200.07300	0.9
201.11430	0.8
203.06837	0.7
203.11278	1.2
203.12907	5.4
206.02826	0.8
250.01781	0.9
305.16055	4.2
311.74011	0.9
347.12817	0.6
347.17044	12.9
348.17404	1.4
365.05215	3.4
365.18127	100.0
366.18674	11.3
368.73584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54634	0.3
53.27768	0.3
59.01377	100.0
60.01704	1.5
65.40648	0.4
67.22568	0.3
69.24159	0.4
79.96705	0.3
85.40829	0.4
103.17413	0.4
114.96630	0.4
169.04167	0.3
177.23315	0.5
185.77022	0.3
218.14098	0.3
226.56534	0.4
232.69545	0.3
247.06271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01376	100.0
60.01713	1.4
61.01795	0.3
61.98822	0.4
70.37061	0.5
70.37412	0.8
71.01379	5.3
73.02947	1.2
75.00882	0.3
80.05058	0.5
83.01405	0.5
85.02955	1.7
87.00876	2.4
89.02431	0.5
96.96023	0.6
101.02452	2.2
106.06641	0.7
108.08201	0.8
111.00925	0.4
113.02463	1.4
115.00397	1.3
133.01465	0.5
135.04507	0.3
139.11269	0.4
141.11931	0.4
152.07133	2.4
161.04529	0.7
165.06725	0.3
183.07767	0.5
185.10696	0.8
185.66966	0.3
196.06120	7.7
198.79036	0.3
203.06871	0.4
227.06833	0.7
229.14548	1.3
244.12744	0.6
245.12894	1.9
246.13039	0.5
247.13411	1.4
274.78836	0.4
321.19312	2.7
322.19342	0.4
363.00818	0.5
363.11176	0.5
363.15121	0.5
363.19116	0.8
363.23798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01376	100.0
60.01713	1.4
61.01795	0.3
61.98822	0.4
70.37061	0.5
70.37412	0.8
71.01379	5.3
73.02947	1.2
75.00882	0.3
80.05058	0.5
83.01405	0.5
85.02955	1.7
87.00876	2.4
89.02431	0.5
96.96023	0.6
101.02452	2.2
106.06641	0.7
108.08201	0.8
111.00925	0.4
113.02463	1.4
115.00397	1.3
133.01465	0.5
135.04507	0.3
139.11269	0.4
141.11931	0.4
152.07133	2.4
161.04529	0.7
165.06725	0.3
183.07767	0.5
185.10696	0.8
185.66966	0.3
196.06120	7.7
198.79036	0.3
203.06871	0.4
227.06833	0.7
229.14548	1.3
244.12744	0.6
245.12894	1.9
246.13039	0.5
247.13411	1.4
274.78836	0.4
321.19312	2.7
322.19342	0.4
363.00818	0.5
363.11176	0.5
363.15121	0.5
363.19116	0.8
363.23798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.44349	0.6
61.98826	100.0
70.02981	1.3
71.01377	0.6
71.05018	1.7
71.41318	1.0
76.80379	0.5
81.17519	0.5
86.02478	0.9
87.05629	1.4
99.04537	0.7
113.02385	0.4
113.07188	0.4
115.00400	0.5
130.03299	1.0
139.04013	0.8
146.08232	12.7
147.05969	0.8
217.11969	3.1
277.12305	4.9
309.14697	0.5
364.15442	9.7
364.19672	0.8
365.15948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	1.1
69.20440	3.3
71.01389	1.5
73.02940	0.4
85.02959	0.4
91.92821	0.4
96.96032	0.8
101.02442	0.7
130.26758	0.3
133.01445	0.8
135.03017	0.7
177.41365	0.4
199.10016	0.4
209.12029	0.5
250.74094	0.4
289.36533	0.4
363.16531	1.0
363.23734	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28643	0.5
59.01377	100.0
60.01702	1.1
69.39597	1.1
69.40002	2.3
73.02963	0.6
87.35046	0.6
96.96006	8.1
96.96610	0.6
101.02409	0.9
113.02473	0.8
363.07489	4.6
363.19275	1.8
363.24026	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90707	0.9
59.01377	100.0
60.01715	1.9
68.04131	1.1
70.74026	2.8
77.75320	0.9
89.48730	1.1
113.91580	0.9
115.38307	1.0
128.26547	1.0
144.94926	0.9
148.02219	0.9
210.08873	1.0
277.09158	1.0
358.60822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97845	0.4
54.55324	0.4
59.01349	0.8
60.27362	0.5
70.52616	1.0
70.52950	0.5
71.01373	2.3
76.61269	0.5
86.27984	0.4
101.02392	0.6
102.94411	2.9
110.73283	0.4
115.00348	1.0
133.01448	2.8
138.98044	0.6
145.01427	1.2
164.19041	0.5
172.86935	0.5
182.96988	100.0
183.97346	2.8
200.97185	1.1
201.00801	0.5
246.50740	0.5
274.67133	0.5
292.55096	0.5
327.13089	0.8
327.50153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0752
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
50.83935	0.4
55.01862	0.4
59.01376	4.5
63.00433	0.4
69.79537	2.1
69.79855	0.5
71.01385	2.5
79.95733	3.2
80.96519	1.9
83.18180	0.4
85.02929	1.0
89.02449	1.0
95.95244	0.8
96.96006	91.3
97.95921	0.5
101.02447	1.5
113.02440	0.5
121.80302	0.4
122.97577	1.4
138.97058	1.0
150.97095	1.8
160.40627	0.4
164.98621	1.0
180.98082	0.9
198.99118	0.5
241.00240	4.0
247.15468	1.9
363.07523	100.0
364.07797	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	363.0755
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
57.03442	0.5
59.01380	6.2
61.98816	0.4
71.01381	2.8
71.51069	0.5
73.02942	0.6
79.95735	3.6
80.96507	1.4
85.02956	0.8
86.44646	0.3
87.00893	0.7
94.23984	0.3
95.95230	1.5
96.96007	100.0
97.06577	0.3
100.39874	0.3
101.02431	1.0
111.08156	0.4
113.02451	0.6
113.09698	0.3
115.00356	1.1
121.06612	1.0
122.97559	0.5
125.09635	0.3
129.10344	0.5
133.01396	0.7
135.03030	0.3
138.97078	4.1
147.04538	0.6
150.97023	0.9
153.09122	0.5
155.10791	1.2
155.67165	0.3
161.83134	0.3
164.07172	0.8
164.98566	0.3
168.98152	0.4
180.98099	0.6
186.12456	1.0
199.09778	0.6
222.99200	1.1
225.00735	0.8
241.00221	12.6
242.00580	0.5
363.07520	60.6
363.23828	8.7
364.07791	6.5
364.18735	1.6
364.24084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.1
61.98835	3.4
62.12863	0.6
70.87301	0.6
71.01379	32.6
76.95786	0.6
93.03453	1.6
106.04238	1.2
107.78584	0.7
111.00868	1.4
115.00365	12.9
121.02935	5.8
133.01395	1.1
133.02954	10.7
134.03743	28.3
137.02437	37.5
138.02765	1.1
139.04012	12.1
148.05318	0.6
149.02374	1.7
150.03209	4.6
161.02351	0.7
161.06067	0.8
162.06783	0.8
165.01886	1.6
178.02702	100.0
179.03049	5.3
181.17328	0.6
203.10812	3.4
247.09738	26.1
248.10124	2.4
327.21869	2.1
363.17981	1.2
363.22113	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	363.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.0
61.98828	8.3
65.30138	1.3
71.01377	62.7
71.52370	1.3
72.99275	1.9
73.02966	1.1
76.48096	1.3
79.05524	4.7
80.83714	1.2
85.50297	1.2
89.02435	2.0
91.31677	1.2
93.03424	2.4
96.96023	6.7
97.06586	2.8
101.02422	2.0
106.04232	1.5
109.02904	1.5
111.00838	2.0
114.06606	1.5
114.99571	2.2
115.00360	36.8
116.00675	1.4
119.05020	1.3
121.02923	6.3
133.01421	35.6
133.02936	16.6
134.02733	2.6
134.03731	41.2
135.04492	3.0
137.02435	46.9
139.03999	17.1
150.03174	4.6
159.04463	2.8
159.11786	31.2
177.09290	2.2
178.02698	97.8
179.03154	6.1
203.10809	8.1
241.15900	2.7
247.09723	100.0
248.10057	8.2
257.19196	2.2
258.15735	1.3
274.98828	1.5
301.18069	4.7
335.51401	1.2
363.14148	2.1
363.18027	10.7
367.57965	1.6
377.78842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
61.98829	2.2
65.99851	2.3
70.65115	2.6
71.01376	6.4
74.99044	0.8
79.95738	2.5
80.96516	1.3
82.02474	1.9
82.02975	37.7
83.01358	4.1
83.03283	0.8
84.33413	0.8
85.02952	2.0
87.00853	0.9
89.02474	1.4
92.05092	0.9
94.02979	2.6
95.95243	1.4
96.96003	54.6
101.02431	2.4
115.00389	2.5
121.01624	0.8
122.02430	1.7
122.06112	5.2
133.01416	1.9
136.04042	25.4
136.07646	1.2
137.04425	1.4
138.05620	1.0
159.03133	1.5
159.04440	1.2
159.10233	0.8
160.07648	1.9
160.70706	0.7
161.07158	1.6
164.03519	42.5
165.03828	2.1
169.05286	0.9
173.03412	1.0
176.07129	1.0
178.08730	1.4
180.02995	1.3
182.04509	1.6
182.43568	0.9
186.05676	1.1
188.07193	1.0
194.04559	20.1
195.05313	6.7
196.06116	26.4
197.06422	1.2
201.11456	1.2
202.08743	2.8
204.06650	1.7
215.08240	0.9
217.06184	2.0
219.11081	1.0
227.08307	1.3
228.06705	1.1
229.06084	1.3
231.07764	3.4
241.00218	2.4
243.04105	1.8
244.09825	6.2
245.09361	3.5
247.15376	1.5
254.07143	1.6
255.05319	1.1
258.06372	2.1
259.07211	1.8
259.10843	1.9
269.09378	2.6
270.07608	4.9
271.07181	4.3
272.08060	1.8
287.10349	100.0
288.10675	9.4
291.09790	2.5
303.14792	1.1
305.74094	0.9
313.08389	2.8
319.13016	2.8
321.15707	1.6
331.09317	45.4
332.09570	6.9
346.25024	0.9
363.07584	58.0
363.11935	9.0
363.16708	2.8
363.23792	1.5
364.07834	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	362.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81141	0.6
59.01374	5.0
61.98827	100.0
63.38915	0.6
70.67155	2.0
71.01380	3.1
71.60281	0.6
73.02941	0.7
77.95393	0.8
85.16792	0.6
87.00872	0.8
89.02463	0.7
93.03452	12.6
94.03826	1.0
96.96053	0.8
101.02466	2.0
111.08218	0.9
115.00356	0.9
119.05007	0.9
125.91762	0.6
137.02441	39.6
138.02771	1.5
138.05644	0.8
161.04572	0.8
201.11333	0.7
201.82773	0.7
247.11880	0.8
299.07660	5.9
363.12415	0.8
363.16605	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	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70132	0.8
59.01374	19.8
62.09829	0.8
65.76043	0.8
69.83987	1.7
69.84402	3.6
71.13618	0.8
80.96502	1.1
88.92596	1.0
100.80727	0.8
101.08814	0.8
125.50150	0.8
126.64817	0.8
172.70631	0.9
174.16585	0.9
187.56795	1.0
279.23273	100.0
280.23599	12.4
361.14801	1.0
361.23621	21.4
362.23846	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43180	1.1
58.61544	1.1
59.01376	100.0
60.29059	1.0
71.33585	1.3
101.02449	1.3
117.25134	1.1
127.44498	1.1
132.26428	1.1
135.91516	1.2
138.94188	1.1
227.75404	1.4
249.73557	1.4
292.82697	1.2
293.91742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.5
60.01706	1.1
60.20453	0.3
61.98828	100.0
70.07302	1.5
112.19363	0.4
134.48387	0.4
136.83528	0.3
147.31926	0.3
159.97342	0.5
174.54620	0.4
174.99312	0.9
177.96724	0.7
178.98491	1.0
201.02553	1.5
202.10500	0.3
203.02335	0.5
203.99966	4.0
204.02713	0.8
217.00249	2.7
218.00615	3.1
219.00500	1.0
219.97734	55.6
220.97917	1.0
220.99759	3.3
248.43068	0.3
249.53738	0.3
301.98444	0.4
334.94266	0.4
361.98480	2.0
362.99924	0.7
368.98837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
58.00596	1.4
58.24948	1.0
59.01377	100.0
61.98842	2.0
62.31356	1.1
70.11400	4.4
71.01377	26.1
73.02953	3.3
81.64141	1.2
83.01390	2.2
83.05048	3.2
85.02962	5.5
87.00889	1.3
89.02447	7.4
95.01421	1.3
96.96020	1.2
97.06627	1.4
99.00834	1.6
99.42696	1.2
101.02434	10.5
113.02496	4.4
115.00357	6.5
119.03503	2.0
121.02983	4.0
121.90627	1.3
122.03784	2.1
133.01430	3.6
133.03096	1.4
135.04553	2.6
141.12946	1.5
147.04608	1.8
153.12885	1.9
161.02498	1.2
165.05592	4.9
165.12854	3.6
171.10316	1.4
175.63768	1.2
181.12439	4.0
183.13879	14.0
183.50204	1.3
183.51944	1.0
185.11813	41.7
186.12131	2.7
199.13388	10.6
201.05632	1.6
209.11815	72.0
210.12210	5.5
219.06906	1.6
227.12886	8.0
243.16174	3.4
245.13928	73.3
246.14349	5.1
301.20358	2.1
328.20233	1.5
346.14203	1.8
361.18774	85.2
361.22253	6.5
362.19131	12.2
362.22791	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03432	1.5
57.03679	0.3
58.00573	0.5
59.01380	14.5
65.66478	0.4
65.92122	0.3
67.34469	0.4
69.57657	0.7
69.58057	1.9
71.01381	15.7
71.05026	0.6
72.05345	0.4
72.99309	1.2
73.02960	2.2
83.01376	2.4
85.02959	4.2
86.00098	0.4
87.00868	0.9
89.02444	2.9
95.01385	0.7
98.19846	0.5
99.00867	1.1
101.02448	6.0
104.59872	0.4
111.00901	0.6
113.02452	3.2
113.17126	0.4
113.54724	0.4
119.03481	1.0
130.05113	0.4
133.01381	0.5
153.12825	0.6
181.12332	2.2
199.11530	0.7
199.13382	14.9
200.13675	1.2
209.11815	1.5
211.13452	0.5
343.17581	3.1
356.88089	0.4
361.18652	100.0
362.18985	12.9
378.89685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60239	0.6
56.95837	0.6
59.01377	22.6
61.98841	0.8
69.45223	0.7
70.80628	0.8
70.80950	0.7
75.69897	0.7
83.01389	1.6
107.33941	0.6
121.01279	0.7
133.44174	0.6
138.17781	0.6
177.86761	0.6
194.89043	0.7
243.12442	1.7
277.21701	100.0
278.22006	13.8
296.49252	0.8
359.14038	2.7
359.21985	23.2
359.26401	1.4
360.22516	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58870	1.3
59.01377	49.0
61.98828	24.3
63.96248	1.7
70.77723	3.2
71.01371	11.4
73.02937	4.0
75.00857	2.0
85.02931	4.6
89.02386	1.7
91.39435	1.4
95.01369	2.7
96.96029	2.0
96.96970	1.6
99.00863	1.8
101.02444	9.2
109.54515	1.5
113.02434	6.8
119.05007	6.1
121.02955	3.8
121.28205	1.3
123.00880	100.0
124.01769	10.4
125.02426	2.0
137.02438	3.7
137.03474	1.5
138.03220	80.5
139.00385	1.8
139.04034	24.1
140.04312	1.4
143.03426	1.8
147.66232	1.3
149.02422	2.9
151.04005	3.2
156.16002	1.4
159.02988	3.5
159.92870	2.3
161.04543	27.1
163.03993	8.5
166.02657	2.0
178.02704	1.4
179.03339	1.5
181.05093	7.6
193.04977	3.6
203.02281	2.2
203.05634	2.2
236.20544	1.4
256.94421	4.2
301.02383	4.0
301.09256	46.8
302.09476	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.8
61.98805	0.8
67.01873	1.0
69.61685	0.7
69.62088	1.8
71.01378	9.9
74.01478	0.4
82.99603	0.6
85.06586	12.1
90.89516	0.4
97.06590	1.8
97.85337	0.4
98.20696	0.4
99.04520	1.2
110.99087	1.0
111.04532	0.6
113.09743	1.3
115.00357	7.8
115.01160	0.5
115.92094	0.5
116.92842	1.3
120.99646	1.2
121.02950	2.8
122.03242	0.5
123.03432	0.8
130.04558	1.0
133.01416	6.7
135.04478	0.9
139.11282	0.9
143.10753	0.7
153.12752	0.8
155.14407	14.9
156.14722	1.0
164.07208	0.4
173.55066	0.4
179.03447	0.4
181.12315	2.0
183.10294	1.6
199.13385	100.0
200.13739	6.2
217.08746	0.4
229.09010	5.8
243.12367	6.4
243.15982	4.9
244.16371	0.5
317.23407	1.2
359.06558	1.1
359.14713	0.7
359.23834	0.5
359.27679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89114	0.2
57.03443	3.2
58.00589	0.4
59.01109	0.4
59.01377	4.4
69.03449	0.4
69.56174	1.2
71.01379	13.5
72.01694	0.3
73.02943	1.4
74.99107	0.2
75.54727	0.2
79.48135	0.3
83.30116	0.3
84.93404	0.3
85.02960	0.9
87.04508	5.1
92.42916	0.3
93.63041	0.2
98.95581	0.7
101.06082	1.1
109.94888	0.2
114.66309	0.3
115.00374	9.2
133.01414	2.9
135.04529	1.0
139.11293	4.0
153.12843	0.4
155.10779	0.5
167.14394	0.6
169.12344	0.7
179.03484	0.3
181.12375	0.5
183.10216	0.9
183.13864	0.3
197.15445	3.3
197.59668	0.3
198.15848	0.3
225.14934	3.1
241.14517	0.5
243.12480	5.3
243.15984	100.0
244.12616	0.5
244.16354	8.1
286.13882	0.3
307.90860	0.3
315.21741	1.0
316.21750	0.3
359.12384	1.1
359.17090	0.6
359.20895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13113	0.5
55.54799	0.5
57.03434	1.3
59.01378	4.0
64.34654	0.5
70.84845	0.8
70.85171	0.6
71.01379	16.5
72.01714	0.7
73.02936	2.5
87.04494	1.3
93.14761	0.5
97.48567	0.5
98.95620	0.5
100.83224	0.4
115.00368	10.4
133.01421	2.8
135.04520	1.5
139.11263	4.0
153.12851	3.6
167.14398	1.3
167.74884	0.5
168.89745	0.5
181.12321	1.9
183.10252	3.1
197.11880	0.6
197.15518	1.2
199.13356	1.2
209.89299	0.5
225.14896	1.7
228.36696	0.5
243.12387	15.6
243.15984	100.0
244.16316	8.0
294.53558	0.6
317.19601	0.7
359.12527	1.1
359.16934	0.9
359.20755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09095	0.4
52.18869	0.4
52.48902	0.4
56.45665	0.4
56.74860	0.4
57.03440	0.7
58.77672	0.4
59.01377	18.1
60.01714	0.4
64.26297	0.4
71.01377	12.3
71.51572	0.6
73.02938	2.2
78.29372	0.4
109.84589	0.4
115.00368	11.0
137.99461	0.4
139.11281	16.7
140.11600	1.1
147.11743	0.4
163.11279	0.7
165.09181	0.9
181.12334	8.3
182.12642	0.9
183.10246	20.3
184.10547	1.7
199.13371	6.6
204.62190	0.4
225.11307	5.0
243.12343	100.0
244.12694	6.9
289.84955	0.5
323.80777	0.4
359.13507	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	359.1497
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
55.65602	0.5
59.01375	28.4
61.98824	6.1
65.35088	0.5
66.12892	0.6
69.08836	0.5
71.01366	2.3
71.41597	1.0
87.00894	0.7
89.02430	1.2
90.77809	0.5
90.97127	2.9
94.45905	0.5
98.23739	0.6
101.02419	1.5
109.02937	1.3
115.00353	0.9
123.00874	1.8
130.08728	100.0
131.02061	0.7
131.09077	3.7
132.98172	1.2
134.03720	0.6
134.04680	1.4
135.04515	50.1
136.04839	2.7
137.02377	1.4
137.79158	0.6
138.03239	1.7
141.00482	0.8
145.01375	0.6
150.08868	0.7
153.05571	2.2
157.03479	0.8
158.99730	0.7
173.97095	0.6
174.99240	6.5
180.06609	1.6
182.02135	1.9
197.04553	4.9
200.97145	7.5
201.00845	0.7
201.02522	7.6
214.98732	1.7
217.00278	32.2
218.00659	0.7
227.97713	1.1
230.03476	1.0
246.06551	1.4
252.62872	0.7
259.05652	0.6
260.89758	0.6
272.00333	0.6
282.76807	0.6
295.16891	0.5
297.09760	0.7
298.97037	1.4
299.07742	0.7
307.26682	0.6
333.56573	0.6
359.14981	88.8
360.09653	2.2
360.15305	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01071	1.1
59.01371	20.4
59.01658	1.3
69.62584	3.7
71.01376	12.4
73.02932	1.9
77.06877	0.6
115.00364	11.9
125.15710	0.6
133.01411	0.9
133.38188	0.6
139.11284	18.7
140.11534	1.5
145.12299	0.6
165.09193	1.0
166.69820	0.6
181.12335	11.9
182.12534	0.7
183.10254	23.1
184.10548	1.7
198.69681	0.6
199.13373	5.5
225.11285	6.0
226.11728	0.8
229.27383	0.6
243.12347	100.0
244.12669	8.6
247.68494	0.7
295.20703	0.6
326.54974	0.7
359.13364	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	359.098
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01368	1.5
60.19759	0.5
71.01362	1.5
71.42108	0.6
73.02923	0.6
85.02938	0.7
86.24562	0.4
95.01377	2.7
96.96014	3.0
101.02440	0.6
123.00874	37.0
124.01188	1.1
124.39838	0.4
135.39989	0.4
137.02438	0.9
138.03218	50.3
139.03531	2.6
150.59875	0.5
153.05563	18.3
154.05885	1.0
160.95313	0.4
166.99840	10.3
182.02196	36.5
183.02477	2.8
197.04530	100.0
198.04877	5.4
239.05547	0.6
241.00116	0.4
359.06821	0.6
359.09988	5.4
380.29291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.09743	1.1
55.01873	3.0
57.03438	2.5
58.00584	4.2
59.01377	100.0
61.98821	1.8
69.48141	7.8
71.01379	59.1
72.01701	1.4
72.99302	2.9
73.02948	8.3
83.01382	5.5
85.02949	17.6
87.00866	4.1
89.02438	37.5
95.01392	5.2
96.96001	7.4
98.19954	2.8
99.00873	3.0
101.02440	31.8
111.00919	1.7
113.02436	25.0
115.00361	4.5
119.03487	13.9
119.04961	2.0
121.02956	7.0
122.03742	9.7
123.00862	3.6
125.02448	1.5
131.03477	2.8
133.01393	3.1
135.04506	4.0
137.02470	6.7
137.06052	2.4
138.03134	2.0
139.00348	2.5
139.04013	2.4
143.03488	1.9
149.04536	1.6
153.01990	1.4
153.05550	9.5
161.04573	6.5
164.04747	1.8
165.01898	2.7
166.02625	2.0
166.99849	3.2
179.03493	2.6
179.07141	3.3
180.04173	2.4
181.01373	4.4
181.05028	1.7
182.02260	8.7
182.05811	17.3
195.06558	2.9
196.03751	4.4
197.04533	57.8
197.08180	53.4
197.09599	0.9
198.04872	2.1
198.08458	4.3
211.06107	8.8
224.03209	3.6
239.05595	35.3
240.06004	1.3
243.12213	1.7
269.06628	3.9
292.81229	1.4
299.07715	5.6
299.11215	3.5
344.07401	3.5
345.82880	1.2
351.07831	1.1
359.09753	98.4
359.13632	23.5
360.10062	11.2
360.13889	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
69.88041	1.8
71.01373	5.7
73.02935	0.7
79.95739	2.4
80.96515	1.7
85.02955	1.1
87.17609	0.6
88.06019	0.5
95.95252	0.6
96.96005	79.1
98.20603	0.6
101.02443	1.9
104.85069	0.5
113.02367	0.6
115.00366	3.2
122.97541	1.1
132.03021	0.8
133.01460	1.6
135.04495	3.0
138.97076	1.0
139.11238	1.7
150.97043	1.6
152.04750	0.8
153.05482	0.7
159.98488	0.6
178.02695	1.1
179.03447	1.5
180.98149	1.3
181.12326	1.0
183.10228	2.2
196.03728	2.9
241.00211	3.3
243.12343	12.0
257.12714	0.5
359.10138	100.0
360.10507	9.5
360.14716	0.6
376.41257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1245
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
57.94584	1.1
59.01376	7.2
61.98825	14.2
69.89017	5.4
71.01379	6.7
72.00904	9.0
72.99303	58.4
74.02473	2.5
83.01357	1.2
96.95988	7.3
98.95560	1.9
101.02426	2.3
102.05591	3.5
103.92074	1.9
107.05019	2.7
115.00388	2.6
121.02956	1.8
123.00859	2.4
123.04514	21.8
128.03534	4.3
133.01428	2.9
134.03691	1.9
135.04514	45.0
136.04855	2.0
138.03209	3.3
141.81837	1.4
151.03966	1.4
152.91711	2.3
153.05576	2.8
178.99980	1.6
179.03476	37.3
180.03923	3.4
182.02165	3.0
187.10843	2.2
193.06517	6.7
197.04529	100.0
198.04849	6.7
207.08102	4.2
209.06010	1.9
211.07576	3.1
219.08041	12.0
220.08383	2.5
223.07552	6.7
224.08401	6.9
225.09148	7.5
234.09290	3.3
235.07745	2.0
236.10823	2.0
237.05479	1.7
237.09157	22.6
238.09543	2.6
240.10330	2.8
243.08075	1.4
243.12292	1.5
250.06053	1.4
252.10208	6.5
254.08159	3.6
254.11816	7.7
256.07349	4.9
263.07172	9.8
268.09775	3.1
273.10077	3.0
280.09683	9.4
281.08093	11.3
285.09888	2.1
288.33112	1.5
292.46185	1.2
295.10696	1.2
296.09235	2.3
298.10837	6.8
298.13821	1.5
313.11768	7.9
315.16718	2.0
317.09015	4.0
324.08685	7.6
341.11353	40.2
341.15466	2.2
342.09976	3.9
359.12927	87.6
360.12863	12.8
360.17697	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01875	2.7
57.03438	1.6
58.00581	1.5
59.01377	49.9
60.01726	0.8
61.98815	0.8
69.45731	0.8
69.50966	4.5
71.01379	44.3
72.99306	1.8
73.02943	11.3
83.01389	7.6
85.02944	17.3
87.00870	4.1
89.02446	15.9
93.03474	0.8
95.01394	4.3
96.95999	7.9
99.00878	2.8
101.02440	30.4
111.00812	1.1
113.02450	14.0
115.00376	2.4
119.03493	5.7
119.05003	1.0
121.02953	2.9
122.03748	15.8
123.04563	4.7
128.03558	0.8
131.03494	3.0
133.01413	2.2
135.04520	10.1
137.02425	2.9
137.06088	1.3
143.03487	1.1
153.05579	1.7
155.64659	0.7
159.02988	1.8
161.04527	7.4
163.03973	1.9
164.04770	3.2
179.03517	5.5
179.05728	0.7
179.07147	4.5
182.02281	1.3
182.05823	33.9
183.06232	1.8
197.04517	6.2
197.08183	100.0
198.08528	6.9
211.06102	1.2
221.06625	0.9
239.05560	3.1
243.12457	1.6
271.09692	0.8
299.11148	1.9
327.10858	0.9
359.09747	14.2
359.13480	51.3
360.10223	1.7
360.13870	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
59.01375	100.0
60.01716	1.4
69.27100	1.7
69.27531	2.0
71.01376	7.8
72.11382	0.5
73.02946	2.0
83.01379	11.4
85.02940	3.3
87.00918	0.5
89.02448	1.7
95.01392	0.8
99.00868	1.2
101.02424	3.6
113.02466	2.9
119.03502	0.6
121.02962	2.0
122.03774	2.9
123.04490	0.6
136.01662	1.3
137.02431	0.6
137.06079	2.0
147.04501	0.7
151.04001	1.0
159.03081	1.1
161.04567	3.5
161.05959	1.0
168.65100	0.5
221.08160	1.1
255.15820	0.6
315.18140	1.6
342.10892	1.2
357.08878	0.7
357.13382	15.2
357.22647	1.4
357.26358	1.1
358.13892	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2138
Annotation	Leu Ile Asn
Peak:m/z	Relative Intensity
50.71415	1.1
53.46772	1.1
55.01868	3.5
57.03437	1.2
58.02972	1.9
59.01378	21.7
61.98586	1.3
61.98834	14.2
69.48913	1.1
70.02975	1.9
71.01378	20.6
71.50817	1.6
71.51160	1.2
72.99319	2.0
74.02472	64.0
75.02813	1.2
83.01385	86.5
84.01707	1.5
85.02934	2.7
87.05637	48.7
88.04058	2.3
88.05965	1.3
89.02434	4.6
93.03477	2.7
96.96007	2.6
97.04077	1.8
97.06602	1.6
98.02453	1.1
101.02453	2.6
101.07185	1.7
109.02953	3.4
112.02792	4.7
113.03571	1.6
115.00366	10.7
116.07172	3.9
119.03541	1.8
119.05063	1.4
121.02940	16.8
122.03735	25.2
123.00882	1.7
123.04559	6.6
124.01671	1.6
125.03551	1.3
126.00710	1.1
126.05501	1.3
128.03555	1.3
129.10335	30.8
130.08730	4.4
133.01418	18.7
133.02925	2.2
135.04527	8.1
136.01640	10.5
136.05276	8.0
137.02461	2.8
137.06082	12.8
138.06612	1.4
139.08797	4.2
143.04655	2.0
147.04500	7.5
149.70644	1.2
151.04018	14.5
153.10400	1.9
155.08253	5.0
161.02426	1.3
161.06097	4.4
162.03201	17.3
166.01012	1.5
166.08710	1.3
167.01686	1.4
173.09280	6.2
177.04089	2.4
177.05556	21.3
177.06892	0.7
178.05991	1.5
179.03505	4.4
179.10658	1.3
182.13162	1.4
183.01154	1.8
183.11392	3.9
185.16513	3.3
185.90837	1.4
194.11826	5.6
195.06613	21.4
197.11757	1.5
200.14020	1.6
202.38857	1.2
209.08159	4.0
211.14606	1.4
214.15628	3.3
221.08144	6.0
241.10841	4.9
242.18701	15.1
243.19138	1.4
255.51212	1.2
269.08051	2.1
272.08896	1.6
282.18365	3.5
313.14383	2.0
313.22427	8.7
314.22647	1.5
326.46469	1.2
340.18539	1.4
342.11127	8.8
357.09180	4.3
357.13437	100.0
357.21323	97.3
358.13788	13.1
358.21924	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00520	2.3
59.01376	15.7
61.98819	11.1
69.58739	10.8
71.01376	42.0
72.99301	3.1
74.02467	9.1
79.95766	2.5
83.01395	16.6
84.01717	5.5
85.02965	2.0
87.05624	6.9
89.02440	5.7
96.96008	19.4
101.02404	4.1
110.00316	2.0
115.00368	35.6
116.07150	3.0
121.02936	5.3
122.03772	3.5
129.10358	4.1
130.08705	5.6
133.01422	100.0
135.04506	32.6
136.66121	2.3
139.11365	2.0
166.08713	2.2
177.05571	4.5
179.03490	25.1
195.06572	5.5
196.06990	4.9
227.43803	2.0
242.18677	2.3
243.12401	18.0
357.21341	6.1
358.13690	25.7
358.21918	11.3
359.10196	29.5
359.14056	4.6
384.88971	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	358.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71609	1.1
61.98827	100.0
69.97648	4.3
78.70771	1.3
83.01387	8.8
84.01715	2.7
95.63382	0.9
98.19902	1.2
121.02895	1.6
122.03772	1.7
130.33276	1.0
159.00726	1.0
187.94359	1.1
233.72835	1.2
243.12289	1.4
358.13785	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	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	9.7
70.23967	19.5
70.24364	11.2
71.01337	5.6
81.34416	6.1
83.01389	60.0
84.01691	11.8
91.65283	5.6
112.01885	6.0
121.02943	10.3
122.03766	10.0
136.01686	7.0
137.06029	6.1
138.06448	9.7
147.04506	6.2
243.12419	13.0
243.85010	7.1
321.41721	6.6
331.22552	9.9
358.13757	100.0
359.14130	9.1
359.22168	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24556	0.3
52.50632	0.3
59.01375	81.8
60.01713	0.8
61.98831	0.7
70.54259	1.1
74.01788	0.3
76.10442	0.3
83.01393	0.8
90.97143	1.2
118.96633	0.7
132.98184	1.8
156.99936	0.9
157.03555	2.6
158.03804	0.6
158.89680	0.4
159.01523	0.5
170.95383	0.4
174.99239	21.0
175.99568	0.8
201.02547	24.6
202.02731	2.8
217.00284	100.0
217.98470	0.5
218.00562	3.4
240.73534	0.3
299.01086	1.0
317.00583	0.5
358.13614	0.4
359.01425	5.0
359.14124	0.6
360.01572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30388	0.3
55.01868	0.8
59.01382	3.0
62.02759	0.4
68.15526	0.3
70.14853	0.8
70.15247	0.8
71.01376	4.6
73.02952	0.8
79.95727	2.3
80.96504	1.2
83.01383	8.7
85.02940	0.7
88.12158	0.4
93.03468	0.4
95.95233	0.5
96.96004	68.6
101.02461	1.7
115.00354	1.2
120.01267	0.4
121.02940	1.5
122.03773	1.9
122.97514	0.9
123.00793	0.3
123.04469	0.6
124.01622	0.4
125.09799	0.4
133.01414	1.5
133.02948	1.0
135.04514	2.1
136.01627	0.5
136.05322	0.5
137.06050	1.6
138.97037	1.3
147.04488	0.8
150.97021	1.2
151.03973	1.0
161.06073	0.6
164.98518	0.6
168.00601	0.9
177.01889	0.5
179.03406	1.3
180.98138	0.9
198.99194	0.6
221.08015	0.8
225.00867	0.4
229.08669	0.5
241.00237	2.6
241.14429	1.1
283.32019	0.4
342.10864	0.8
357.12225	100.0
358.12604	8.9
373.32202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93918	0.4
55.01891	0.4
59.01373	1.8
69.41285	2.7
69.41673	0.7
71.01376	4.5
72.99312	0.4
73.02946	1.0
73.48492	0.4
79.95744	2.3
80.96522	2.1
83.01386	1.5
85.02953	0.9
86.46037	0.4
91.48323	0.3
95.95206	0.4
96.96010	71.7
101.02435	1.5
115.00359	2.5
122.97557	1.3
133.01437	1.2
138.97054	1.1
149.99005	0.4
150.97050	1.4
153.12791	0.9
164.98541	0.7
180.98083	1.1
192.31282	0.4
197.11842	0.7
198.99007	0.5
199.70378	0.4
223.13451	0.7
241.00290	3.1
241.14432	32.4
242.14810	3.3
309.27771	0.4
357.12216	100.0
358.12558	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.24363	1.2
55.01861	2.2
57.03447	7.1
57.84230	1.1
58.00557	1.5
59.01377	84.0
61.98820	4.7
69.03454	10.3
71.01379	51.8
71.01784	1.7
71.05009	4.3
71.50982	1.6
72.99285	2.5
73.02947	7.2
73.03297	0.9
82.03001	1.1
83.01380	25.3
83.05027	1.7
85.02957	12.2
87.00867	1.5
89.02441	26.5
93.03449	12.8
95.01349	2.4
95.05057	1.2
97.06587	6.3
98.02464	3.0
101.02436	16.8
111.04501	4.8
111.08144	2.3
112.04044	1.3
113.02433	13.3
113.06085	1.6
115.00360	8.3
119.03503	11.6
121.02914	4.0
122.03722	4.6
123.04520	1.8
123.08088	1.8
125.09700	1.4
128.03545	1.8
130.08777	5.5
133.01430	7.8
135.04549	2.9
136.01617	2.7
136.05296	1.8
137.02423	4.2
137.06078	4.0
138.01918	3.3
139.11292	15.2
141.10341	1.1
143.03482	2.4
143.04591	2.2
149.04611	1.1
151.03976	3.3
155.03453	5.2
161.04553	9.4
161.05818	1.8
167.01730	1.1
173.04565	8.2
175.03940	1.5
177.09238	7.0
179.03406	1.1
179.05589	2.3
183.01151	1.9
183.10243	100.0
184.10648	6.9
195.10178	2.2
197.11795	9.6
198.05574	1.2
221.08253	2.7
230.58183	1.2
241.10883	8.2
267.58408	1.4
269.11429	4.1
314.13550	5.8
333.96887	1.2
342.11047	3.5
357.13205	16.5
357.15417	11.3
358.13065	3.4
358.16187	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89291	0.4
55.01875	0.9
57.02005	0.5
57.03445	5.8
58.00581	0.5
59.01374	3.2
71.01380	14.0
71.01783	0.7
71.05016	1.3
72.99306	0.9
73.02938	1.4
77.98062	0.4
83.01393	4.4
83.05008	1.0
85.02973	2.4
87.04510	22.2
96.08676	0.5
96.95995	1.8
98.20693	0.9
101.06064	4.3
107.08683	0.6
108.66782	0.4
115.00358	11.6
117.86544	0.5
121.02967	0.6
122.03724	1.6
133.01410	8.1
135.04544	2.4
135.08203	0.5
136.01659	0.5
137.05994	0.9
151.04004	0.6
153.09193	9.0
154.09558	0.6
161.13312	1.7
169.55966	0.4
170.54597	0.5
175.54074	0.5
179.03482	0.9
179.14285	0.6
197.11810	2.5
211.23618	0.5
223.13243	1.2
241.10547	2.7
241.14430	100.0
242.14781	8.4
325.68826	0.5
357.12967	7.0
357.19388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.2
56.02170	1.3
59.01378	100.0
61.98822	2.0
70.99636	3.0
71.01377	5.8
74.99103	3.4
79.65692	1.5
83.01384	76.0
87.04478	2.7
99.00850	2.4
109.02956	4.3
121.02946	22.3
121.24344	1.5
122.03731	19.4
123.04533	6.3
136.01656	6.8
136.05290	4.8
136.99133	2.8
137.02441	1.9
137.06078	12.5
137.49165	1.3
139.07559	1.5
147.04495	6.2
149.06104	1.3
151.03984	10.9
155.14449	1.5
155.87724	1.3
159.04576	1.5
161.06100	3.3
162.06856	1.8
168.04303	1.5
179.03488	2.3
185.11800	1.7
205.12311	1.8
209.08101	2.9
215.07158	1.6
216.07869	1.3
221.08214	7.4
221.13609	1.5
223.13409	9.6
225.22200	1.7
241.18022	2.2
296.82990	1.4
313.14450	2.1
327.25323	2.8
339.25400	4.9
342.11118	9.3
355.24710	2.0
357.06201	4.7
357.13406	94.4
357.26407	89.3
358.13727	13.1
358.26727	12.1
363.52100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94846	2.2
61.98825	66.6
71.02308	2.7
83.01379	79.1
93.03449	2.7
98.19859	5.0
121.02953	24.0
122.03725	21.6
123.04489	8.2
136.01645	9.7
136.05223	3.7
137.06087	13.5
147.04501	5.5
151.04001	12.2
161.06087	3.8
179.48976	2.2
209.67616	2.6
221.08182	8.8
342.10986	10.0
356.12531	3.2
357.13376	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	356.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
59.01356	1.7
59.92861	1.0
61.98828	100.0
71.51132	1.7
71.65412	1.3
73.98232	1.2
83.01385	44.6
83.69537	1.2
96.25423	1.2
109.02919	1.5
121.02946	12.2
122.03745	9.0
123.04533	4.0
136.01646	5.1
136.05280	2.3
137.06061	6.8
147.04515	2.1
151.04005	3.8
161.06078	2.5
195.59474	1.2
209.08115	1.6
221.08205	3.1
250.85214	1.4
305.72968	1.3
342.11060	3.8
356.12537	1.7
357.13388	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0613
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.14013	0.4
55.01857	0.6
59.01371	1.7
60.58957	0.4
69.30931	0.8
69.31332	2.3
71.01367	1.2
75.54485	0.4
77.92752	0.4
83.01379	15.9
84.02154	0.4
85.02921	0.4
87.22321	0.4
93.03426	0.7
98.20655	0.9
100.51839	0.4
102.98592	0.5
108.02171	0.4
115.00398	0.5
121.02948	100.0
122.03276	3.2
122.03765	2.6
123.04488	1.3
136.01637	1.8
136.05295	0.7
137.06099	2.3
147.04507	1.1
151.04002	2.4
161.06081	1.0
165.01941	1.2
179.16473	0.4
180.05765	1.6
181.06570	7.0
182.06956	0.8
209.08122	0.7
221.08167	1.9
225.05542	5.2
226.05855	0.4
271.07196	0.5
313.07169	7.9
314.07404	1.2
342.11066	2.0
343.11032	0.4
357.06155	38.2
357.13205	18.7
357.22858	2.0
357.26443	2.6
358.06500	4.6
358.13684	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98828	22.1
65.92665	1.0
71.01051	1.2
71.01380	10.5
71.04989	0.9
71.50876	1.0
73.02937	1.2
74.29690	1.0
81.33177	0.9
83.01384	20.1
84.00900	1.8
93.03456	18.7
95.05001	1.7
96.96011	2.2
97.06561	3.1
98.02445	1.2
98.17097	1.0
101.02406	1.4
112.04013	2.0
115.00379	6.7
121.02939	3.3
122.03719	4.2
123.04521	2.2
130.08754	5.0
133.01424	6.0
134.03751	1.0
135.04433	1.8
136.01663	2.4
136.05273	1.5
137.06058	4.0
138.01952	1.2
138.05525	1.3
139.05141	1.0
147.04550	2.2
149.02354	1.0
149.06017	1.2
151.03958	4.3
165.00099	1.1
172.32901	1.1
175.04010	2.0
179.03516	1.5
179.10686	1.3
197.11848	8.2
199.04161	1.1
221.08101	1.6
241.00136	2.4
241.10858	7.1
255.98694	1.3
269.11346	5.1
285.50162	1.0
292.56226	1.0
314.13519	5.7
342.11057	2.4
345.21494	1.0
357.09448	1.7
357.13373	21.9
358.13626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
57.03432	2.9
59.01373	52.0
62.02836	2.2
62.24867	2.2
63.49602	2.1
69.56552	4.2
69.56966	10.6
71.01375	82.6
71.05013	34.2
71.21426	2.3
72.76871	2.2
72.99304	4.8
73.02927	6.1
83.01379	63.1
85.02934	3.4
87.00852	2.8
87.04485	4.7
96.96006	4.4
98.19908	3.3
98.95580	2.9
101.02421	3.0
111.03567	2.9
114.99576	3.6
115.00368	60.0
121.02927	9.2
122.03743	20.2
122.06104	4.9
123.04515	5.1
125.09684	3.8
133.01424	91.0
134.01744	3.6
135.04468	10.1
136.01628	5.9
136.05333	3.1
137.06062	13.5
147.04469	4.2
151.03954	9.0
151.07581	3.7
152.07149	7.3
153.09209	31.2
153.12837	21.8
160.04114	2.7
161.05980	4.2
179.03448	6.9
185.71446	2.7
192.06641	4.0
197.11810	100.0
198.12105	8.4
221.08162	3.8
225.11313	3.0
241.10701	5.3
241.14432	47.1
242.14653	5.8
302.50729	2.3
304.53491	2.7
315.14197	5.9
342.10889	6.9
357.13412	79.8
358.13672	11.1
370.33221	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1222
Annotation	202-791
Peak:m/z	Relative Intensity
55.01891	0.6
57.03432	0.4
59.01383	2.4
59.69910	0.4
62.87777	0.3
69.42670	2.1
71.01378	4.1
73.02948	0.7
77.76147	0.3
79.95741	1.5
80.96525	1.9
81.76540	0.3
83.01382	5.9
85.02957	1.0
85.72697	0.4
90.93081	0.3
96.96006	67.3
97.06520	0.4
101.02448	1.4
113.02398	0.4
115.00389	1.6
115.03957	0.4
121.02971	0.6
122.03719	1.1
122.97586	1.0
123.04539	0.5
133.01422	2.1
135.04503	0.6
136.01646	0.7
137.06078	1.2
138.97050	1.5
147.04550	0.6
150.97050	1.2
151.04031	0.6
152.98677	0.4
164.98581	0.4
167.07104	1.1
171.10234	0.5
175.63141	0.4
179.03416	0.7
180.98131	1.0
197.11876	0.7
198.99068	0.4
201.11246	1.0
209.04289	1.3
209.08202	0.4
223.41788	0.4
241.00224	2.6
241.10776	1.4
241.14542	0.6
255.12331	0.4
261.14221	0.4
293.36362	0.3
342.11060	0.4
351.11966	0.4
357.12225	100.0
358.12585	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	355.2275
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01369	1.7
61.98805	2.7
69.38773	1.3
71.43153	2.9
81.78500	1.3
85.02940	1.9
109.02944	3.2
111.00851	2.0
121.02905	1.7
122.03732	11.5
135.04509	24.5
136.01605	2.3
147.08183	3.1
149.06123	2.7
149.09711	9.7
151.07565	2.5
161.09705	12.6
163.07617	4.3
163.11270	61.3
164.08405	16.8
164.11621	2.9
165.09259	8.6
165.45264	1.6
177.09189	76.2
178.09988	21.1
179.10754	80.5
180.11095	4.9
183.10225	2.5
191.10786	10.8
193.08713	7.6
206.93710	1.6
217.34933	1.7
265.12573	1.8
280.14578	3.0
298.15695	51.5
299.15988	6.5
307.16913	2.4
309.22153	2.3
335.73822	1.8
337.17676	2.9
337.21722	51.4
338.22083	10.1
340.20380	100.0
341.20645	14.2
355.22754	99.4
356.23123	16.4
358.95477	1.6
370.88760	1.7
373.75305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60748	0.7
57.64965	0.7
59.01369	8.5
59.11610	0.7
61.98825	100.0
71.01383	7.7
71.50732	1.2
74.02478	2.0
83.01379	16.9
85.06615	0.7
87.00880	1.5
89.02449	2.2
93.03460	1.6
96.00925	0.7
96.96019	3.0
97.06592	3.4
99.92568	1.7
101.02435	1.9
108.02210	0.7
109.03005	1.0
114.05616	3.4
115.00365	3.0
119.03511	0.7
121.02956	5.7
122.03710	5.0
123.04541	2.3
123.08154	1.4
128.03522	1.0
130.08823	0.9
131.07146	5.1
133.01442	3.9
133.02989	1.0
134.02585	1.6
134.03735	0.9
135.04456	0.9
135.08173	2.0
136.01636	1.6
136.98111	0.7
137.02466	0.9
137.06081	3.2
138.05624	0.7
140.07185	1.0
143.04639	1.4
147.04567	1.2
151.04005	3.7
162.03227	1.0
166.01001	0.9
167.07039	1.0
177.05597	1.1
179.03458	1.4
180.10350	2.2
182.99608	0.7
183.01234	1.4
191.05611	1.1
192.05962	0.9
193.06232	1.0
193.46591	0.7
193.51901	0.7
195.03018	1.6
195.06645	2.5
197.08197	2.6
197.13113	0.7
209.08263	0.8
217.23137	0.7
221.08191	1.9
240.05183	1.5
241.07239	2.7
263.07669	1.0
272.08875	1.7
293.12387	21.3
294.12885	2.7
313.14426	0.8
326.64874	0.7
339.11484	0.8
342.11237	1.3
356.18427	2.2
357.08771	4.1
357.13379	25.3
357.21530	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	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23829	0.2
55.01881	0.4
59.01370	0.4
61.98828	100.0
73.12731	0.2
78.95930	0.2
83.01382	8.6
90.69472	0.3
93.03483	0.4
121.02958	2.1
122.03732	2.5
123.04539	1.0
126.39163	0.2
133.55733	0.2
136.01651	0.7
136.05261	0.4
137.06075	1.2
147.04575	0.6
151.04015	1.1
161.06099	0.3
162.06976	0.2
205.09430	0.3
209.08102	0.2
221.08270	0.7
221.15504	0.6
236.10620	0.6
270.50241	0.3
293.17572	0.4
342.11218	1.1
356.12814	0.4
357.13409	11.4
357.26538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17924	1.4
55.01888	2.3
58.46542	1.6
59.01376	1.8
61.98826	45.8
62.52578	1.4
69.57452	1.4
70.35701	2.3
70.36033	3.5
71.01395	1.9
83.01386	75.8
101.28693	1.3
108.92068	1.4
120.28511	1.4
121.02962	17.6
122.03744	19.6
123.04531	6.8
124.71715	1.5
126.84436	1.4
135.58421	1.7
135.79482	1.7
136.01689	10.9
136.05322	4.4
137.02448	2.9
137.06067	10.4
147.04535	6.1
151.04039	9.4
154.02565	1.5
161.06073	4.4
162.06841	2.4
168.04294	1.6
175.03848	1.6
177.96902	1.4
209.08101	3.8
221.08273	7.6
342.11002	8.3
356.12653	3.5
357.13397	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77151	0.5
52.43560	0.5
55.01857	0.5
57.03435	2.6
57.42067	0.5
59.01369	2.2
61.98816	2.2
69.03440	1.1
71.01378	16.8
71.05016	5.7
71.43018	0.7
71.43372	1.3
72.99297	0.5
73.02937	1.5
83.05022	1.1
84.02170	0.8
85.02940	1.9
85.06585	0.6
87.04514	2.2
95.05019	1.3
96.95988	1.7
97.06589	1.8
99.04527	0.7
101.06068	9.0
112.05310	0.8
113.02436	1.0
113.06064	1.0
115.00371	13.0
119.08704	1.5
123.08128	0.6
133.01404	5.9
137.06096	0.9
137.09683	2.5
151.11304	1.1
153.09265	2.9
154.99831	0.9
159.11726	1.3
177.12856	4.5
179.10727	0.6
193.12177	0.8
195.13847	3.6
195.67148	0.6
202.39690	0.6
221.11867	2.9
239.12868	100.0
240.13243	9.5
241.61635	0.5
311.18546	0.6
355.17810	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.4
59.01390	8.8
61.98818	3.2
69.14086	1.7
69.14417	19.8
71.01389	11.5
71.05016	9.6
73.02935	3.0
79.05527	20.1
81.03450	15.9
83.05020	65.4
84.29517	1.8
86.02452	2.1
95.05020	23.0
96.95383	3.5
96.96003	66.0
97.06555	7.0
98.00071	18.3
101.02431	3.5
101.06094	9.6
106.06621	32.2
111.08138	1.9
113.06123	2.3
113.09695	2.3
115.00350	5.6
120.05781	5.0
123.08183	2.4
125.09719	16.4
127.04007	4.6
128.03558	2.4
129.01958	1.9
130.08696	3.1
133.01450	4.0
139.03986	4.5
141.05556	2.7
142.08728	6.0
143.10754	8.1
144.10318	2.5
145.05051	22.3
145.18475	1.7
150.05603	30.0
151.11346	2.2
157.08685	4.1
159.11835	2.2
164.07143	5.4
164.93491	2.1
171.10258	39.6
172.10561	2.5
185.11804	5.3
187.14973	2.5
188.09174	15.6
192.06693	3.8
194.04547	7.9
199.09744	2.5
205.15910	24.7
206.16319	2.9
209.11787	15.6
221.15416	7.3
223.17017	34.1
224.17348	3.0
231.13852	10.5
239.09311	2.2
239.12804	8.0
239.16516	22.4
240.16762	2.6
241.00145	2.5
242.13986	6.0
249.14931	42.8
250.15324	3.8
267.16022	10.9
269.15778	3.2
293.13947	5.8
296.07605	3.6
311.14969	44.3
312.15326	6.4
338.19693	7.2
355.10617	100.0
355.17889	10.2
356.11020	9.9
356.20917	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96239	1.1
56.76012	1.1
59.01377	100.0
61.98825	2.1
71.01382	19.4
72.99320	1.5
73.02931	6.1
78.09195	1.3
83.01360	2.5
83.05021	4.2
83.56330	1.2
85.02946	7.6
88.56381	1.2
89.02451	1.7
95.05087	1.3
96.96009	5.5
98.19845	2.0
99.00868	2.5
101.02430	10.3
113.02432	4.8
115.00394	3.8
121.02992	1.8
126.42670	1.2
133.01422	4.0
134.03773	2.9
145.05139	1.3
149.06105	2.1
161.04558	5.1
195.10223	2.2
239.09241	1.4
239.12843	4.4
269.10342	15.4
355.10608	8.1
356.20917	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	355.107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34349	0.3
59.01376	4.6
66.24804	0.4
71.01379	5.4
71.04990	0.7
72.99301	0.4
73.02938	0.8
79.95737	3.7
80.85371	0.4
80.96514	1.8
83.01378	0.8
83.05006	0.7
85.02937	1.1
86.52116	0.4
89.02426	0.8
93.03427	0.4
95.95232	1.3
96.96007	95.6
97.06522	0.4
97.95995	0.4
98.19932	0.7
101.02420	1.8
105.07316	0.4
106.03720	0.4
113.02444	0.8
115.00340	2.0
121.02959	0.8
122.97588	0.8
130.08737	0.9
132.05539	0.3
133.01442	1.3
138.97044	1.1
147.11902	0.4
150.97086	1.4
160.45451	0.3
164.98622	0.6
176.08382	0.3
177.12830	0.5
179.03583	0.4
180.98087	1.1
195.10226	0.9
195.64072	0.3
225.00842	0.4
239.12891	6.2
240.13190	0.7
241.00229	3.3
355.10675	100.0
355.17529	21.9
356.10968	9.6
356.18301	1.9
357.59833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01372	1.4
65.16380	0.3
69.03438	0.6
70.59557	0.4
70.59885	0.7
71.01380	8.2
71.05043	0.3
72.99310	0.7
87.00867	1.4
91.15894	0.4
95.05023	0.3
97.06571	0.3
98.03713	0.4
99.04535	0.5
109.06581	0.5
115.00368	6.2
123.08156	1.6
133.01427	7.6
147.08092	0.6
149.09731	4.0
151.11269	5.1
165.09232	0.5
165.12851	2.0
175.03833	0.3
175.11244	2.8
193.10512	0.6
193.12306	11.1
194.12653	0.5
195.14050	0.4
221.11826	0.8
239.12868	100.0
240.13208	9.3
296.44785	0.3
332.47861	0.4
355.14230	0.5
355.24777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.4
59.01161	1.2
59.01380	13.3
61.98834	1.9
67.05525	4.3
69.03457	3.0
71.01378	44.0
71.05029	2.0
71.51492	2.4
73.02941	32.4
79.95699	3.5
83.05038	7.2
85.02947	1.7
87.04560	1.8
95.95216	2.4
96.96005	99.6
97.06595	2.0
99.00911	1.8
101.02448	1.8
107.65148	1.4
115.00352	24.6
119.08617	2.0
121.10228	7.8
133.01419	8.1
133.10187	3.0
135.04465	2.1
149.99609	2.6
151.11299	3.6
159.11789	41.5
160.12094	3.1
165.09212	4.5
168.00633	5.1
168.76376	1.6
177.04007	2.8
177.12820	4.8
179.03458	1.5
195.10251	8.9
227.12711	2.2
239.12866	100.0
240.13142	8.0
355.10718	60.5
355.17847	55.3
356.11157	5.6
356.18390	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2117
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.72813	0.2
68.69015	0.3
69.91619	1.1
79.95721	0.8
96.96008	6.1
118.98021	0.3
131.57782	0.2
161.06041	0.4
163.11275	87.7
164.11604	5.5
177.09190	69.9
178.09528	4.7
181.59244	0.2
190.10037	0.3
191.05573	0.4
222.08899	0.4
248.10403	0.2
309.79861	0.3
353.21149	100.0
354.21503	14.7
354.26025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2331
Annotation	Prostaglandin H1
Peak:m/z	Relative Intensity
51.66265	2.1
54.86594	2.0
57.03434	7.9
59.01386	10.0
59.93280	2.2
60.84614	2.0
61.98817	5.9
68.26451	2.2
69.03442	6.2
71.01370	22.4
71.05022	4.5
71.51410	1.8
71.51955	2.7
73.02934	3.6
77.52431	1.9
81.07100	3.0
83.04990	2.1
85.30839	1.8
87.04500	4.3
96.95989	2.6
98.47873	1.9
99.04501	2.4
101.06075	23.9
109.06557	2.8
111.08143	10.9
115.00345	8.0
123.08118	2.0
125.09727	2.7
126.39822	2.2
137.09685	2.8
139.11279	18.5
140.08405	2.4
151.11256	6.3
153.06393	2.2
155.10857	2.2
167.10786	2.5
168.11537	17.4
169.12311	41.1
170.12486	2.9
183.13875	23.3
184.14140	2.8
191.05629	6.2
209.15347	4.9
233.19090	7.9
237.14940	26.9
238.15065	2.7
251.20113	43.2
252.20465	3.5
291.23288	4.8
309.24301	38.1
310.24619	5.9
353.23309	100.0
354.23724	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	353.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60549	0.7
52.62361	0.8
59.01378	33.1
60.72674	0.7
61.98831	4.1
71.37839	1.3
95.05053	0.8
96.96007	0.7
109.06570	1.4
127.11292	0.8
134.87025	0.8
153.12805	1.1
176.64386	0.8
185.05943	0.8
191.05652	3.8
196.05307	1.3
211.07698	3.7
219.21245	1.4
235.20621	5.6
245.19043	1.1
247.20581	1.7
267.19608	0.9
279.50793	0.8
293.21231	20.4
294.21390	2.7
311.22253	100.0
312.22629	11.1
315.81207	0.8
341.55289	0.9
353.14014	1.5
353.18707	1.4
353.23218	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	354.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.6
61.98831	100.0
62.43720	5.4
65.32783	5.9
70.65299	11.5
77.30325	6.4
100.71198	7.0
127.03699	5.2
154.90167	6.2
155.81796	5.4
163.60902	5.8
178.37279	6.5
253.05063	31.8
355.11816	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	353.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01379	10.0
70.23843	2.0
70.24237	1.7
71.01379	10.4
72.99304	1.4
73.02934	1.0
83.01366	1.1
85.02949	10.2
87.00872	3.2
89.02444	4.3
89.53922	0.7
93.03439	4.0
96.96007	0.8
99.00865	5.2
101.02438	3.3
109.02880	0.8
111.00925	2.1
111.04501	1.0
112.98798	9.2
113.02445	2.3
115.00366	1.6
119.03510	1.6
127.04007	1.7
129.01923	7.1
131.03529	1.3
134.03740	0.8
135.04518	1.8
142.99869	3.9
143.03539	1.2
161.02411	1.7
173.00847	4.5
173.04536	2.7
179.03508	1.7
179.05565	1.5
191.05598	100.0
192.05917	3.5
192.99052	0.9
212.76445	1.0
254.99843	0.9
313.79803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11359	0.6
59.01374	3.7
61.98852	0.8
69.98230	1.3
69.98618	1.5
71.01380	26.1
72.01697	0.7
72.85363	0.6
73.02942	0.8
77.89391	0.6
83.05029	0.7
85.02975	0.6
96.95992	0.5
107.05084	0.8
109.06590	4.8
111.04559	0.7
111.08140	2.7
115.00359	11.1
125.09712	1.5
127.07653	20.4
128.07991	0.8
133.01428	1.4
135.04541	0.7
139.11258	1.0
155.07103	3.2
175.14865	1.3
191.05608	3.4
193.15990	2.9
209.15341	0.8
219.13855	2.8
237.14938	100.0
238.15269	9.4
265.12280	0.8
353.13919	0.7
353.23245	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	352.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
61.98825	1.8
69.03435	0.4
71.01376	6.0
72.00906	11.1
72.01727	0.6
72.99310	0.6
74.02468	7.2
75.51303	0.4
85.02947	2.4
87.00841	0.6
93.03452	20.1
101.06059	1.4
102.06413	1.1
106.04228	2.6
107.05018	2.6
108.02158	1.2
111.04517	6.1
115.00331	2.3
116.00777	0.5
119.05019	17.5
120.05316	0.8
121.02939	0.4
122.60492	0.4
122.73840	0.5
125.02480	0.7
128.55981	0.5
129.05574	4.2
133.01418	2.4
133.02972	0.6
134.06107	1.7
135.04503	2.2
136.07677	2.1
147.04512	0.6
161.02419	0.9
162.05624	0.6
163.04005	13.8
164.04341	0.8
169.64558	0.4
173.04570	0.9
179.03558	0.9
180.06656	100.0
181.07001	5.7
191.05608	26.5
222.07751	1.7
231.10291	1.8
242.64166	0.5
247.09683	1.1
248.12813	2.8
249.13409	0.5
264.12384	3.1
292.11874	15.7
293.12231	1.5
301.14365	0.5
310.12930	25.7
311.13315	2.7
339.05032	1.4
348.12811	0.5
352.13965	12.4
353.08768	0.4
353.14261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01381	5.4
60.22508	0.8
71.01373	7.3
71.19843	1.2
72.99308	0.7
73.02950	0.9
83.01440	1.0
85.02951	8.9
86.17725	0.7
87.00871	2.8
89.02438	4.2
93.03463	4.2
99.00882	3.4
99.04517	1.5
101.02434	2.3
111.00876	1.6
111.04478	1.1
112.98808	6.4
113.02443	1.3
115.00319	0.9
125.02456	1.2
127.03999	2.4
129.01932	4.6
131.03464	1.0
135.04515	1.6
142.99878	2.0
161.02460	1.6
173.00896	3.0
173.04579	3.8
175.31685	0.8
179.03491	1.7
179.05576	2.0
191.05602	100.0
192.05966	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	351.2173
Annotation	Sterebin C
Peak:m/z	Relative Intensity
53.83488	0.4
54.01451	0.5
57.03445	0.8
59.01378	39.8
62.10245	0.5
68.54250	0.5
69.03472	0.7
69.20224	0.6
69.20623	3.6
71.01365	0.5
71.05016	1.5
85.06586	1.1
87.48847	0.4
96.96014	6.5
99.08152	0.6
106.73981	0.4
109.31812	0.5
125.09758	1.3
135.11795	0.5
139.11295	1.0
153.12860	0.7
161.13354	0.4
163.14868	0.5
171.41074	0.4
175.14876	0.5
177.16437	2.3
179.14388	1.2
189.16473	0.4
215.18056	0.9
217.19688	3.4
229.19595	0.5
231.10150	1.0
233.19095	1.5
245.19060	0.9
247.20650	0.8
261.18539	0.7
271.22714	1.1
273.18631	2.0
279.19705	0.5
291.19647	22.3
292.19919	2.0
309.20688	100.0
310.21017	12.2
310.72418	0.5
351.18228	3.1
351.21741	10.4
352.18503	0.5
352.22211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95158	1.4
59.01377	88.4
60.01706	1.5
61.98824	8.8
67.65542	1.6
69.03453	1.7
70.62910	3.4
71.01379	50.1
72.00904	2.4
72.01709	3.4
72.99283	2.0
73.02562	2.8
73.02945	36.1
83.01373	8.1
85.02946	11.6
87.00863	11.3
89.02451	3.1
92.05053	4.8
93.03458	9.2
99.00880	2.2
100.18138	1.5
101.02435	22.4
113.02439	9.1
115.00372	12.2
116.05039	4.6
118.02952	5.0
119.04999	3.2
120.04549	6.0
121.33798	1.4
125.02438	2.1
128.05049	1.6
129.05583	1.9
130.06622	4.0
131.03651	3.8
132.04535	14.3
133.01448	13.2
133.02884	2.2
134.06160	2.0
134.16251	1.6
135.04507	7.4
136.07663	2.1
143.03552	1.3
144.04549	14.6
146.02478	59.3
146.06068	2.1
147.03264	61.0
147.04454	3.2
148.04037	11.9
149.04402	1.7
150.05611	3.1
158.06117	5.8
160.04028	78.5
161.02490	3.8
161.04495	10.7
161.05824	2.2
163.03970	2.8
170.06013	1.8
172.04016	13.6
173.04439	3.7
174.05588	13.3
177.01915	1.9
179.02187	6.2
179.03539	3.3
180.06647	19.0
185.04767	3.4
186.05582	7.3
191.05591	100.0
196.03949	1.6
202.05121	11.7
214.05109	15.8
232.06113	2.2
247.05243	1.6
264.12344	1.6
292.08203	5.9
292.11725	3.4
293.15948	2.9
310.09387	4.0
310.12726	3.3
316.18594	1.6
352.10339	73.1
353.10498	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	349.2016
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
50.90339	0.5
59.01380	2.7
61.64881	0.5
61.98806	0.5
71.01366	3.2
71.52209	0.8
85.02930	2.0
96.96024	1.1
99.05377	0.6
135.04454	1.0
142.58704	0.5
179.03403	0.7
219.17468	0.7
233.11743	1.1
256.09726	0.5
305.21188	97.3
306.21506	12.1
349.20163	100.0
350.20456	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	349.2019
Annotation	Leopersin L
Peak:m/z	Relative Intensity
53.98646	1.6
55.01866	4.5
57.03445	41.8
58.00576	5.9
59.01377	82.9
67.01887	5.3
68.99791	1.6
69.03453	3.9
71.01377	51.5
71.05019	8.6
71.51616	2.0
72.02168	11.6
72.99317	11.0
73.02941	43.1
74.03242	1.7
74.22437	1.7
74.95608	1.5
75.00861	2.3
81.03441	2.8
83.01392	8.8
83.05031	11.5
84.02168	2.0
85.02945	61.6
85.06593	5.3
87.00880	5.5
87.04510	22.5
89.02437	2.9
93.03436	2.4
95.01381	5.6
95.05038	3.1
95.91125	1.6
97.02967	1.8
97.06593	3.3
99.00887	6.3
99.04478	1.8
101.02432	4.1
101.06069	5.8
107.05043	3.1
109.06543	3.9
111.04519	4.5
111.08106	2.7
112.01682	7.5
113.02438	17.2
119.05022	2.2
120.05775	4.9
121.06585	2.0
123.08186	2.1
146.07277	1.5
160.05305	1.7
172.62129	1.7
174.06906	1.8
180.04071	1.7
182.72029	1.4
205.12480	2.1
217.16017	2.4
231.17615	2.7
233.15486	3.4
235.17017	18.5
243.17406	2.2
247.17049	4.8
249.18622	8.3
261.18582	7.8
271.16873	2.6
273.18588	4.0
277.18030	1.7
289.18121	24.1
290.18430	3.2
291.19693	13.1
303.19644	3.8
311.22202	5.8
313.18439	2.5
331.19119	8.5
349.20184	100.0
350.20483	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56234	0.6
53.35186	0.6
54.57244	0.7
59.01376	100.0
60.01723	1.1
69.47725	2.1
69.48142	2.6
71.01378	2.0
73.46339	0.7
90.98615	1.3
98.20631	1.0
100.58694	0.6
101.02439	0.7
108.32071	0.7
139.34760	0.9
190.31076	0.7
337.04599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	32.2
61.98833	11.1
65.03967	10.1
66.03477	4.7
69.04582	3.4
70.94904	3.2
71.01373	36.0
73.02924	3.8
74.02487	2.1
80.05058	45.3
83.01382	5.1
85.02938	3.9
85.14056	1.8
85.83859	1.9
89.02451	4.8
92.05054	3.6
92.60793	1.8
96.04543	17.2
96.96005	5.8
99.00889	3.7
101.02458	10.4
106.06623	7.6
113.02442	4.6
115.00398	9.7
116.05043	8.4
118.06586	10.0
119.39050	1.9
122.02441	10.2
124.04044	5.5
126.11997	1.7
133.01422	7.0
134.06145	2.2
135.04465	4.1
135.09264	7.8
139.81372	2.1
142.12373	63.4
143.12590	3.3
152.30664	2.4
161.04510	3.7
162.05617	36.8
163.05939	2.6
168.13800	4.3
174.83636	1.8
179.03546	4.6
179.08220	6.5
187.13351	6.8
195.14992	11.0
207.51605	1.9
224.12993	3.6
233.11829	2.0
257.78455	1.9
261.19540	4.1
305.18671	100.0
306.18848	10.0
307.17502	9.1
349.18375	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01869	1.6
57.03454	0.8
57.57326	0.7
59.01377	100.0
60.01718	0.7
61.98828	7.4
71.01381	29.4
71.51649	1.1
72.99310	1.2
73.02943	6.2
83.01398	2.6
85.02937	8.4
87.00906	1.5
89.02446	2.8
90.64629	0.7
95.01386	1.5
96.96016	2.4
99.00906	2.6
100.14734	0.7
101.02435	14.7
113.02443	7.8
115.00360	4.0
115.69809	0.7
119.03503	1.2
120.99660	8.5
122.53516	0.7
133.01450	3.5
135.04539	2.7
145.12372	1.9
159.03055	1.8
161.04549	11.1
179.03461	1.8
187.13380	4.0
196.70685	0.7
200.14622	1.2
209.11819	0.8
225.44431	0.8
239.08173	1.4
244.13496	1.7
269.13022	3.7
287.14075	2.1
289.16711	2.1
307.17624	20.4
307.20993	1.4
308.18219	1.3
348.65149	0.7
349.13779	1.5
349.18790	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01876	1.8
57.03432	1.4
58.00592	3.8
59.01377	90.2
60.01723	1.3
61.98834	5.1
65.05309	1.0
69.35925	7.9
71.01377	52.8
72.01698	1.0
72.99284	5.1
73.02973	1.5
83.01374	3.6
85.02937	9.5
85.06603	1.1
86.03305	1.0
87.00864	2.4
87.91924	0.8
89.02441	46.4
95.01366	4.7
96.96011	1.3
98.19954	1.9
101.02435	33.7
102.02760	1.1
113.02441	19.7
113.03174	2.0
115.00346	2.3
119.03489	24.0
131.03392	1.4
133.01443	2.6
143.03534	2.3
143.07149	2.8
149.04570	1.8
152.01044	1.2
161.04491	3.0
169.12341	18.7
170.12646	1.5
179.03470	1.1
179.05568	3.1
187.13373	4.2
187.32065	1.0
245.25362	0.9
267.78036	1.0
349.18634	100.0
350.19052	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	349.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51660	1.2
55.01874	2.3
55.29679	1.2
57.03441	2.8
59.01378	47.8
61.98824	4.6
65.83185	1.2
71.01377	32.4
71.50465	1.7
72.99306	7.2
73.02947	5.0
73.65591	1.4
74.02440	1.3
75.00864	17.5
79.93955	17.1
79.95731	2.9
80.96520	3.0
81.03457	1.7
83.01392	3.5
85.02943	26.7
87.00864	9.2
89.02434	10.0
94.98090	1.2
95.01414	7.0
96.96005	88.7
99.00877	13.8
99.04513	82.6
100.04868	2.8
101.02428	7.3
103.00343	2.8
111.00874	2.2
112.98777	1.4
113.02446	32.7
114.02786	1.4
115.00353	8.1
116.06244	1.2
117.01921	4.1
129.01953	3.0
130.08665	1.7
133.01414	5.2
135.04495	1.4
138.97073	1.5
145.09891	1.7
150.97092	2.2
153.05579	3.1
161.04538	1.6
169.08548	1.3
174.01685	10.7
175.02412	4.6
180.98157	1.5
187.09834	1.3
189.01950	1.5
193.03510	2.1
205.07231	2.1
205.60748	1.4
211.06038	1.6
223.08223	1.6
241.00270	2.6
249.06139	9.2
267.07162	22.6
271.08270	2.2
283.18158	1.5
315.09882	2.4
331.10037	2.4
349.05951	100.0
349.11322	81.7
349.14990	9.7
350.06461	8.9
350.11398	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	349.1136
Annotation	Prodiamine
Peak:m/z	Relative Intensity
56.65629	0.8
57.03432	2.1
58.00583	1.6
59.01377	31.2
61.98814	3.0
62.10015	0.8
66.53546	0.7
67.01886	1.3
68.99790	1.1
69.03446	1.5
69.89880	4.5
71.01380	33.6
72.01707	1.0
72.99303	6.9
73.02928	2.5
75.00474	1.5
75.00868	19.2
79.95738	1.0
81.03435	1.0
83.01377	2.1
85.02460	1.5
85.02944	20.0
85.03461	1.2
87.00858	8.6
89.02434	13.3
95.01382	6.4
96.96011	8.5
97.02888	0.9
97.06621	1.0
98.20618	1.9
99.00874	11.8
99.04513	100.0
100.04826	3.0
101.02423	7.2
102.98598	2.5
103.00354	2.1
111.00880	1.7
113.02449	27.0
113.03252	1.3
115.00378	8.5
117.01929	3.8
119.03480	4.6
120.04686	1.1
128.03525	4.4
129.01926	2.3
133.01408	3.9
133.06924	4.4
135.04535	0.9
159.06993	0.8
161.04601	1.4
171.07713	2.3
175.02425	3.1
179.05565	1.2
201.11180	0.9
223.08443	1.1
231.05055	4.7
249.06120	25.8
267.07040	3.6
287.10187	1.1
331.09872	3.5
349.06039	7.0
349.11249	73.2
349.18475	2.9
350.11584	7.7
350.15726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66521	0.4
61.98826	100.0
63.99266	0.6
71.41841	1.0
77.20932	0.4
125.37227	0.4
162.98441	1.6
203.99953	1.2
205.00140	3.1
205.99683	4.1
206.97429	64.0
207.97562	5.2
344.49271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0578
Annotation	Ibhayinol
Peak:m/z	Relative Intensity
55.80984	1.3
55.82636	1.5
59.01370	3.7
71.01378	56.6
71.49519	1.6
72.01695	2.4
72.99314	8.4
73.02908	1.4
75.00842	3.1
75.02546	2.2
75.59717	1.2
85.00977	1.6
87.00873	2.7
89.02435	2.0
101.02418	4.6
103.00353	3.0
105.01931	2.7
114.98414	2.9
115.00367	12.7
115.02072	1.8
117.01907	1.5
119.04962	3.1
129.01958	1.8
129.03651	3.5
133.01434	3.4
136.84288	1.2
142.99823	2.1
145.01372	3.3
154.97415	2.0
157.01389	2.0
159.01039	1.5
171.01028	3.6
173.02657	2.5
183.07738	1.7
191.05605	1.8
201.02090	5.4
227.06676	1.8
230.99457	1.6
233.02371	3.0
233.04713	47.6
234.05087	2.6
251.13774	1.4
308.33896	1.4
313.11374	5.7
349.05750	100.0
349.09384	8.2
350.06073	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	349.0596
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
52.31473	0.4
58.86221	0.3
59.01376	2.0
71.01400	2.0
71.41959	0.4
71.42283	0.4
72.99300	0.7
73.02958	0.7
77.79559	0.4
79.95732	2.9
80.96510	2.1
83.01405	0.7
85.02947	1.2
87.00851	0.4
89.37726	0.4
95.95231	1.7
96.96005	82.4
101.02449	1.5
113.02472	0.4
122.97540	1.8
138.97084	1.3
150.97047	2.0
153.77051	0.3
164.98628	0.5
170.65079	0.4
180.98128	1.3
197.23605	0.4
241.00211	3.5
241.11375	0.4
280.99188	0.4
291.19449	0.4
349.05948	100.0
350.06268	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	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45786	0.6
52.26279	0.4
59.01379	7.6
60.01694	0.5
61.98831	1.2
62.27785	0.4
62.95260	0.4
71.01369	4.4
71.51497	0.6
73.02940	3.8
83.01375	0.8
85.02931	0.6
96.11379	0.4
96.96011	0.7
101.02451	1.7
105.26692	0.5
113.02438	1.3
125.02393	0.6
134.03696	0.6
143.10765	100.0
144.11098	4.6
157.12323	2.3
185.11816	1.1
197.11774	1.0
215.12755	0.5
275.20239	0.8
347.15048	0.5
347.18909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05762	0.7
59.01377	100.0
60.01707	1.2
60.42315	0.8
61.98819	2.4
69.07834	0.9
69.98377	2.9
74.85514	0.7
96.96053	1.7
99.04567	0.7
101.42359	0.7
127.71586	0.6
186.54822	0.7
302.31693	0.8
321.44537	0.8
349.20242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89210	0.7
58.02972	2.4
58.57586	0.6
59.01377	11.1
61.98818	2.4
63.98480	0.6
66.60023	0.6
70.38969	2.1
70.39314	0.8
71.01353	3.4
72.99314	1.5
73.02970	0.7
73.04045	0.8
74.02480	3.5
75.00910	0.8
75.20092	0.7
75.36925	0.7
79.95727	8.0
80.96504	1.5
82.91822	0.7
89.02432	1.3
93.03447	2.6
96.96006	1.5
98.02480	1.1
101.02422	1.1
103.00361	6.8
104.03541	2.8
107.05014	1.2
115.00327	1.1
119.05022	100.0
120.05358	5.1
133.01407	1.8
135.04518	19.2
136.07585	0.8
136.15150	0.8
143.11876	1.6
155.11909	2.9
156.12291	1.3
161.04498	0.8
162.30920	0.6
163.03992	13.9
164.39406	0.8
169.09784	0.7
169.65150	0.7
181.05064	12.5
185.02179	0.8
187.10971	0.9
188.07185	1.8
199.00682	45.4
200.01067	1.9
200.14102	2.7
201.14310	1.1
215.00194	21.4
216.00497	1.0
223.06088	2.7
231.12289	1.4
242.99675	4.1
254.15050	1.0
255.15512	0.9
261.00723	18.2
262.01062	1.6
286.13943	1.5
287.14325	2.2
303.01755	21.2
303.05066	1.3
304.02142	1.6
311.09601	0.8
316.15079	1.9
317.15445	2.5
328.99692	6.0
346.16220	1.6
347.00751	6.9
347.12643	1.9
347.16568	4.7
348.16461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17234	2.1
57.40703	2.4
59.01373	100.0
63.86367	2.5
67.59058	2.1
71.01376	37.8
71.51466	4.3
73.02950	30.3
75.32745	2.8
83.01394	6.0
85.02948	4.1
85.81686	2.6
89.02433	12.9
92.12834	2.6
94.36531	2.4
96.95971	2.6
101.02449	23.4
102.95961	2.2
102.98618	2.5
113.02415	7.9
115.00304	4.7
117.94762	2.3
119.03471	4.6
133.01434	4.5
135.04451	3.3
140.02251	2.3
155.10771	2.7
161.04486	3.4
165.00040	4.3
167.02080	2.6
210.25055	2.5
229.14412	4.6
231.15907	7.6
260.09366	3.0
285.08926	4.0
347.11856	6.7
347.17688	2.7
347.24298	31.7
348.24637	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	347.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17234	2.1
57.40703	2.4
59.01373	100.0
63.86367	2.5
67.59058	2.1
71.01376	37.8
71.51466	4.3
73.02950	30.3
75.32745	2.8
83.01394	6.0
85.02948	4.1
85.81686	2.6
89.02433	12.9
92.12834	2.6
94.36531	2.4
96.95971	2.6
101.02449	23.4
102.95961	2.2
102.98618	2.5
113.02415	7.9
115.00304	4.7
117.94762	2.3
119.03471	4.6
133.01434	4.5
135.04451	3.3
140.02251	2.3
155.10771	2.7
161.04486	3.4
165.00040	4.3
167.02080	2.6
210.25055	2.5
229.14412	4.6
231.15907	7.6
260.09366	3.0
285.08926	4.0
347.11856	6.7
347.17688	2.7
347.24298	31.7
348.24637	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	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77418	0.4
57.03461	0.7
59.01376	6.6
70.85626	0.8
71.01376	18.9
72.01719	0.7
72.99309	0.6
73.02976	0.4
83.01412	0.7
85.02958	1.8
89.02429	1.9
95.47997	0.4
96.96002	0.5
101.02441	2.9
101.14981	0.4
102.98564	0.6
113.02452	1.3
115.00359	6.1
119.03485	0.6
127.11277	1.5
133.01471	1.6
155.14438	0.8
165.00113	0.4
167.01759	0.6
167.10735	0.9
171.10286	2.4
185.11798	1.0
191.86546	0.4
202.72769	0.4
213.14963	2.6
229.14375	2.1
231.15979	100.0
232.16310	8.2
347.12515	0.8
347.17038	13.9
348.17462	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2279
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03442	0.7
58.00578	1.0
59.01375	2.6
70.65889	0.7
71.01386	0.8
72.99308	0.6
73.02939	0.5
82.96545	0.3
83.05031	0.5
83.22029	0.3
89.94398	0.3
94.18815	0.3
94.23040	0.3
97.06588	1.4
106.68779	0.3
108.02305	0.3
110.38117	0.3
111.08158	2.4
113.09725	2.5
115.07615	0.3
123.08164	3.8
125.09718	5.4
127.11293	5.1
134.03714	1.4
135.08144	1.2
139.11296	7.9
141.09227	4.8
143.10748	0.9
151.07651	0.7
153.09210	9.9
154.09537	0.6
155.10780	2.0
157.12292	0.5
167.14305	0.4
167.30470	0.3
185.15512	0.6
186.51335	0.3
187.04063	0.3
187.09735	3.7
189.65038	0.3
202.06441	0.4
211.13342	1.2
217.10803	7.2
221.01418	0.3
229.14433	1.3
248.10400	0.4
285.20746	1.1
301.14337	0.3
303.21783	2.1
321.38681	0.4
327.15973	0.6
327.21866	2.0
345.22797	100.0
346.23145	11.1
346.27304	0.7
349.83276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.0
60.05380	0.3
61.98825	100.0
69.91505	0.7
69.91903	0.9
98.19936	0.4
169.65263	0.4
174.26683	0.4
184.79922	0.3
201.02563	0.4
202.02682	2.0
203.02226	2.2
203.99969	40.2
205.00124	3.6
296.83926	0.5
317.72824	0.4
325.03564	0.4
346.01266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2279
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.45661	0.4
51.90915	0.3
57.03423	0.9
59.01375	2.1
61.98819	0.4
71.01367	1.6
71.05007	0.6
71.51380	0.5
72.99306	0.5
83.05022	1.0
85.02942	0.8
96.96003	0.5
97.06556	0.9
99.08157	3.4
109.06594	0.5
111.08147	2.2
113.09722	0.8
115.00336	0.5
118.10744	0.4
120.99664	0.5
123.08153	4.4
125.09711	0.9
127.11246	2.6
133.01439	0.5
134.03754	1.7
135.04498	0.4
137.09705	1.0
139.11284	13.2
140.11603	0.8
141.08170	0.7
141.09203	8.1
152.20580	0.3
153.09213	0.5
155.10776	0.8
157.12318	3.3
166.83672	0.4
167.14375	0.4
173.06068	0.5
174.03204	0.5
181.12340	3.0
187.09738	9.6
188.10086	0.7
202.06378	0.6
203.07149	0.4
211.13351	1.2
227.12862	1.1
229.14412	1.4
245.13934	0.9
248.10501	0.5
273.15143	0.5
283.13412	0.8
285.20700	1.2
299.16681	0.5
301.14365	1.3
309.14813	0.7
317.17361	0.5
327.15915	2.2
345.22775	100.0
346.17236	0.8
346.23050	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	344.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
61.98829	100.0
63.17392	1.4
66.22105	1.5
71.33823	2.7
82.04346	1.5
95.96636	1.6
142.89076	1.9
150.63535	1.8
171.10304	7.5
172.10576	5.6
194.12770	2.4
196.14235	1.6
226.15239	2.7
227.01685	1.8
291.29752	1.6
344.21252	3.3
344.25183	39.4
345.25482	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	344.1824
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
59.01350	1.4
69.37617	8.2
70.02979	2.1
75.55865	1.1
75.56315	1.0
81.02184	4.1
82.02986	1.8
82.06604	1.9
87.05621	1.9
96.00908	7.8
98.02476	17.4
108.08186	1.8
109.01661	3.0
113.03564	7.5
114.01933	3.1
115.08766	2.6
116.07139	1.8
123.82076	1.2
124.07648	2.9
125.07171	4.2
125.10785	1.1
126.05609	5.5
129.43314	1.1
130.08728	69.7
131.04573	2.2
131.09047	3.1
136.68985	1.2
138.09224	19.9
140.07195	1.0
151.08734	2.5
152.07167	34.0
154.08803	1.8
161.03531	1.3
164.09473	3.2
166.08698	3.6
168.09035	1.3
169.09824	1.7
173.98599	1.2
180.06517	1.1
185.16562	8.0
195.07680	2.1
196.06067	1.4
204.08992	2.5
211.14526	10.0
213.08810	2.1
219.15018	4.1
221.16547	9.6
222.10110	2.6
229.15538	10.9
239.17532	2.1
247.14482	11.1
265.15533	9.4
309.14523	100.0
310.14786	9.0
326.17172	49.1
327.17416	3.9
344.10202	1.1
344.18213	29.7
345.18402	2.1
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	Unknow
Peak:m/z	Relative Intensity
59.01364	4.1
63.47212	0.9
70.86225	1.7
71.01375	3.6
84.04539	1.6
85.02917	1.0
89.02470	1.2
95.03765	3.6
96.08120	0.9
96.96014	1.7
98.95581	2.6
101.02418	1.5
104.05065	2.1
106.06612	5.8
112.04067	1.2
115.00354	0.8
122.06098	3.8
124.07684	11.2
132.04552	51.4
133.05350	29.6
134.06145	6.5
148.04071	2.7
150.05603	2.6
155.46269	0.9
165.02956	1.9
165.04301	28.8
165.05692	1.5
166.04684	1.3
176.03497	2.5
177.04295	5.8
178.05025	1.1
184.07753	1.4
185.08449	1.4
186.05652	0.9
186.09196	5.1
198.09219	1.6
209.03261	7.7
213.06648	3.5
214.12379	9.0
215.11879	10.0
226.07437	1.8
227.08284	1.6
229.09837	4.8
229.14394	10.8
230.14777	1.1
239.08415	1.1
240.10391	1.5
241.09827	4.6
257.12930	38.2
258.13205	2.2
283.10837	8.4
284.11066	1.5
301.11917	30.9
302.12192	3.5
327.09781	2.1
345.10855	100.0
346.11160	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.95565	1.0
57.79667	1.0
58.01399	1.0
59.01375	9.6
59.05841	1.0
59.82077	1.2
59.89706	1.1
61.44028	1.1
61.66411	1.0
68.57780	1.1
70.31203	4.0
71.01381	9.1
78.27573	1.2
85.02972	2.0
87.55394	1.0
89.02451	6.1
95.03774	1.8
95.52991	1.5
96.95980	4.1
98.95576	5.3
98.96394	1.1
101.01789	1.0
101.02422	3.4
106.06630	3.8
113.02463	1.8
119.03518	2.3
122.06104	2.4
124.07639	6.6
129.61728	1.0
132.04544	30.4
133.01419	1.4
133.05359	17.8
134.06137	5.5
150.05562	2.0
165.04294	22.5
165.09201	4.2
170.64755	1.1
176.03572	2.1
177.04282	2.2
183.10306	1.2
186.09212	4.4
209.03265	6.6
213.06718	3.4
214.12276	5.6
215.11838	6.4
223.33742	1.1
226.07556	1.8
227.08142	1.2
227.96362	1.1
229.09978	3.6
229.14400	3.5
230.10217	1.2
240.10454	1.3
241.09850	3.3
257.12973	18.2
258.13211	1.8
263.53070	1.1
275.03851	1.2
283.10831	7.8
301.11926	15.1
327.10016	2.1
345.10861	100.0
345.14990	3.3
346.11185	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	345.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41783	0.7
55.01881	1.1
69.98089	2.3
71.01381	19.1
71.01779	1.0
73.02942	98.8
74.03276	1.4
96.96004	2.3
98.95579	6.4
98.96195	1.1
98.96442	1.0
115.00369	15.8
133.01402	3.2
160.37401	0.8
229.14420	100.0
230.14745	6.3
250.95210	0.7
341.58124	0.8
345.10590	12.7
345.15323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10877	0.6
57.03391	0.8
59.01308	27.4
59.01636	2.7
61.98774	0.6
62.42638	0.5
65.89815	0.6
69.03398	0.6
71.01311	2.5
73.71221	0.6
96.95930	1.0
99.08131	3.1
102.98500	0.6
104.90575	0.6
111.08070	2.0
111.91479	0.6
113.09716	4.2
115.00279	1.6
123.07986	0.6
125.09621	1.5
127.11237	0.8
128.19460	0.5
129.09207	6.4
130.70598	0.5
133.01424	0.8
134.03667	2.6
135.04411	1.0
135.35632	0.6
139.11186	1.4
141.09119	1.4
143.10770	9.3
155.10674	1.4
157.12260	1.5
164.06999	0.6
173.05977	1.7
175.07617	0.9
183.13927	0.7
187.03940	0.9
187.07645	0.7
203.07025	1.4
209.19000	0.7
211.13303	1.4
227.20154	1.6
229.14439	1.4
229.72447	0.9
237.18571	4.6
239.20103	2.4
248.10507	1.5
255.19682	1.4
257.21188	11.5
258.21594	1.2
272.68381	0.6
285.20700	22.5
286.21036	2.4
299.16623	0.9
301.14359	1.3
303.21750	100.0
304.22131	10.0
314.82510	0.6
327.15942	1.9
345.17258	3.0
345.22794	35.3
345.26218	1.6
346.17029	0.7
346.23087	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03439	1.8
59.01389	1.1
69.03450	0.7
69.49030	3.0
71.01383	8.2
71.05025	1.0
72.01714	0.5
72.99310	0.7
73.02951	0.5
81.03443	0.5
83.05033	2.7
84.02170	1.3
85.02950	4.1
85.06583	0.9
87.04539	0.4
95.05015	1.2
96.96013	1.2
97.02960	1.7
97.06583	3.4
98.19994	0.9
99.04554	0.5
102.86972	0.4
106.26883	0.4
109.06588	0.6
109.53271	0.4
111.08156	1.5
113.06069	0.5
113.09698	0.4
114.78092	0.4
115.00391	3.5
116.00722	0.6
118.58645	0.5
123.08147	2.1
125.09715	1.8
127.11322	0.5
133.01411	3.4
133.02937	0.6
134.03763	0.6
135.04509	3.1
136.04872	0.9
137.09703	1.9
141.09219	2.8
151.11295	0.9
153.12836	1.5
155.10818	0.6
163.11290	0.5
165.12840	0.9
169.12294	0.6
171.10199	1.2
179.03493	1.6
180.03847	0.6
181.12331	7.6
182.12671	0.6
187.09753	3.9
209.11803	2.0
211.13405	1.5
227.12872	4.6
229.14398	2.4
231.46552	0.4
237.14964	1.6
245.13937	1.9
255.12332	0.5
261.18726	0.7
274.29108	0.4
274.32077	0.5
276.15790	0.5
280.98053	0.4
325.20120	1.7
343.21225	100.0
344.21573	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	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03425	0.9
58.00582	1.3
59.01369	2.6
61.98837	1.2
91.97250	0.8
99.92548	0.7
107.26144	0.7
121.10203	1.5
125.09708	7.1
127.11272	9.0
137.09729	1.9
139.11261	6.3
151.11275	1.0
155.10771	3.3
157.12248	1.1
165.09192	3.0
171.08810	1.6
171.10255	27.4
172.10612	1.6
177.12953	0.8
183.10205	1.8
199.09772	4.0
201.11302	51.3
202.11642	3.2
228.95389	1.0
231.12581	0.8
244.30122	0.9
271.22580	1.2
275.20029	2.8
293.21176	1.2
307.19226	1.1
307.22720	0.8
311.22278	5.8
313.03201	0.8
343.24835	100.0
344.04077	0.8
344.21301	1.1
344.25186	12.3
365.58054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01387	0.7
69.03450	0.6
69.72028	3.1
71.01366	0.5
82.23020	0.6
97.06601	0.6
99.08138	1.5
109.06583	0.8
116.81184	0.5
121.10222	2.3
125.09698	1.5
127.11288	1.8
137.09724	1.0
139.11288	31.3
140.11629	1.3
144.22488	0.5
153.09236	0.6
171.10257	49.8
172.10573	2.9
193.12289	2.1
201.11359	1.4
216.71307	0.5
225.15033	2.4
226.15289	0.6
243.15923	0.8
244.16896	0.6
289.18051	10.8
290.18500	1.4
293.21283	1.0
307.19147	1.7
311.22455	0.7
343.24863	100.0
344.25223	12.5
344.28183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
58.48153	0.5
59.01388	3.8
61.98814	1.8
69.03453	1.5
70.07867	2.0
71.01376	1.2
71.18529	0.5
83.05029	1.0
89.02437	0.7
96.96015	1.1
97.06562	1.1
99.04581	0.5
99.08153	6.5
99.92568	0.7
113.09747	0.7
121.02943	0.5
121.10216	4.5
121.97278	0.4
125.09691	1.4
127.11283	0.9
131.08876	0.4
133.01338	0.5
134.76450	0.5
137.09712	1.5
139.11290	1.3
153.09189	0.6
165.09132	0.5
171.10243	32.2
172.10551	1.9
173.06055	0.6
193.12320	8.9
211.13385	2.5
213.09441	0.5
225.14926	10.8
226.15327	1.1
243.16016	3.4
293.21201	2.4
299.22357	0.8
313.03629	0.5
328.05832	1.3
343.11316	1.3
343.24838	100.0
344.25186	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	344.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.8
59.01373	16.2
61.98824	1.8
66.85201	0.8
68.28506	0.8
69.55303	1.9
69.55703	4.9
71.01379	16.0
72.00900	11.5
72.99308	1.6
74.56229	0.9
82.37237	0.9
87.00884	1.0
88.04031	1.5
89.02441	17.9
91.05516	1.0
93.03453	0.9
96.95977	1.9
101.02443	4.6
103.05525	1.4
113.02424	4.3
115.00383	2.7
119.03493	3.3
121.02880	0.8
133.01396	1.1
137.02487	0.8
143.03471	1.3
147.04521	35.5
148.04884	1.4
149.02448	0.9
152.41643	1.0
161.04591	2.4
163.16756	0.7
164.07159	100.0
165.05548	2.4
165.07538	6.2
177.99171	1.0
179.05579	4.3
182.05333	1.4
228.17172	3.0
229.15593	0.9
342.75116	1.0
344.18082	6.0
345.08322	2.1
345.18207	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	343.1065
Annotation	CHEMBL460255
Peak:m/z	Relative Intensity
59.01374	1.5
60.25771	0.4
69.59162	1.2
69.59564	1.1
71.01379	0.9
73.02957	0.6
79.95745	1.3
80.96505	1.4
85.02951	0.9
87.56864	0.4
90.31578	0.4
96.96004	52.3
101.02466	1.2
110.80865	0.3
112.63878	0.4
122.97590	0.6
138.97040	1.4
150.97075	1.0
164.98721	0.4
180.98198	0.7
198.99277	0.4
241.00208	2.4
253.84229	0.4
314.90027	0.4
343.10635	100.0
344.10989	8.6
368.90924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98022	2.6
57.51045	0.6
58.99598	6.1
59.01381	3.9
61.98824	1.5
65.93840	0.5
70.70293	1.9
71.01382	4.1
74.99114	3.1
89.00658	2.4
96.96027	0.7
100.97041	2.4
102.98595	30.8
112.62870	0.5
113.04265	0.7
114.03213	0.7
115.00356	1.1
117.00164	1.1
122.03732	2.1
126.05077	1.5
129.09196	0.9
133.01424	1.3
135.04497	2.8
136.04883	1.0
138.01440	1.8
141.09235	0.8
142.00928	4.8
152.03000	3.8
155.10759	0.9
163.88516	0.6
169.10553	39.9
170.10858	1.8
171.10313	1.0
179.03461	2.1
179.10776	13.4
180.03864	0.9
180.11134	0.7
181.12360	2.8
187.09952	0.8
195.08484	38.3
196.08844	2.6
213.09537	100.0
214.09853	7.9
227.07181	0.7
227.16531	0.8
239.11147	0.7
249.60139	0.7
276.94794	0.7
283.10077	2.5
301.11078	1.4
317.98947	0.8
343.11923	0.9
343.15546	1.3
343.21158	6.9
343.24951	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	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
59.01371	2.0
61.15616	0.8
65.38984	0.9
65.84799	0.7
70.85153	0.9
70.85525	1.9
71.01376	25.8
71.04998	1.0
72.01698	1.2
72.99313	2.0
87.04566	0.9
89.02438	2.0
94.51024	0.7
111.08131	1.3
115.00362	26.7
127.49471	0.7
128.36143	0.8
133.01419	37.3
134.01659	0.7
134.03481	0.7
135.04501	2.6
148.80136	0.7
155.10806	1.0
165.12817	19.0
166.13168	2.0
179.03490	2.2
180.03792	1.2
183.13881	87.3
184.14215	5.5
209.11804	2.3
227.12863	100.0
228.13214	9.5
283.19351	1.0
301.20193	3.7
306.00330	0.8
312.06119	1.1
313.07129	0.9
343.14896	1.3
343.21182	20.1
343.28033	0.8
344.21582	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	343.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
59.01366	2.4
61.98819	1.0
71.01376	29.6
71.05028	0.9
71.51408	0.7
72.01720	0.9
84.06841	0.5
87.03091	0.4
97.06586	0.9
102.98575	0.8
115.00358	10.0
133.01462	3.1
133.02995	0.9
135.04507	3.7
171.10251	1.4
177.66856	0.6
179.03485	2.4
180.03857	0.9
181.15939	3.4
196.67935	0.5
201.11365	0.6
220.10051	0.5
227.16499	100.0
228.16827	7.2
255.13921	0.6
283.19077	0.7
301.20209	1.5
343.15347	1.1
343.21124	5.1
343.24930	3.5
344.21286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01725	3.1
61.98828	72.2
71.01383	12.2
71.50179	1.8
75.37027	1.8
88.02728	1.6
89.02441	7.5
93.03461	2.6
101.02458	3.9
107.04992	2.2
109.02974	9.4
111.04498	4.2
115.00365	5.2
119.03464	2.9
119.05022	2.5
121.02960	4.0
123.00869	4.7
124.01690	2.8
133.01424	8.0
134.03735	2.6
135.04553	15.6
136.04846	13.1
137.02449	3.4
137.06094	5.2
138.03127	2.0
139.04021	10.5
142.41580	2.0
149.02422	3.5
151.03992	9.8
165.01901	2.1
174.03169	2.5
179.03462	5.8
180.03793	6.2
180.05948	3.6
181.05058	20.2
213.04076	9.9
213.05786	2.3
245.12979	1.7
267.90527	1.6
303.35104	1.7
313.03198	1.8
342.10370	7.6
343.10226	11.1
343.19730	2.1
350.11276	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	83.1
60.01704	0.8
61.98829	0.4
69.87375	0.2
70.50097	0.6
70.50433	0.2
72.72050	0.2
79.27489	0.2
80.81298	0.2
87.26637	0.3
87.98483	0.3
106.20242	0.2
113.04579	0.5
130.02133	0.3
157.03551	7.7
158.03653	0.8
159.01505	1.6
171.74483	0.3
201.02531	100.0
202.02702	9.3
343.03647	3.3
344.03793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.37252	0.5
59.01372	12.7
61.98803	1.1
69.74363	3.0
71.01367	4.0
74.37589	0.5
83.31107	0.5
85.69424	0.6
88.04029	1.1
89.02467	0.6
93.03492	0.6
95.05041	0.8
96.96012	0.6
107.05025	1.3
109.02954	6.1
109.06593	3.8
114.22418	0.6
115.00358	1.9
119.05029	4.4
121.02949	8.1
122.03743	0.8
133.01411	2.6
135.04485	5.6
137.06076	29.0
138.06403	1.8
143.67535	0.6
161.43579	0.6
163.03983	1.0
172.02310	0.5
179.03520	0.8
180.04120	0.6
181.05054	100.0
182.05385	6.5
187.07660	0.6
279.14999	0.6
300.15625	1.4
307.13959	1.3
341.22821	0.6
343.10342	15.2
343.19754	0.7
344.10703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
59.01385	2.0
70.31445	1.2
71.01383	2.6
73.02937	0.8
79.95718	1.8
80.96519	1.6
83.01389	0.6
83.26916	0.3
85.02945	1.3
87.00851	0.3
96.96004	71.7
97.95923	0.4
101.02424	1.4
115.00325	0.4
122.97562	1.1
126.34734	0.4
133.01443	0.4
138.97069	0.9
150.97043	1.4
164.98685	0.5
178.44913	0.4
180.98166	1.0
235.38150	0.3
241.00204	3.1
343.10632	100.0
344.10965	8.2
364.43405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
60.70789	0.6
70.44724	2.0
71.01379	22.9
73.02939	2.8
89.02438	0.7
91.14172	0.6
92.89422	0.6
95.05029	1.0
99.04508	1.8
115.00358	15.2
123.92988	0.7
133.01422	2.8
133.02943	0.9
135.04529	3.5
142.51253	0.7
163.11267	3.8
163.54990	0.6
179.03477	1.9
181.12329	24.6
182.12683	1.9
207.10220	0.9
209.74559	0.7
225.11301	100.0
226.11630	8.7
229.08763	0.9
315.47906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01370	1.8
59.66115	0.3
69.03458	2.1
69.92941	1.8
71.01372	2.1
71.49097	0.3
83.01398	0.4
83.05002	1.6
84.02170	4.5
85.02940	0.5
89.02438	1.1
97.02958	1.2
97.06584	11.2
98.06928	0.5
98.20517	0.4
99.04495	1.5
102.73407	0.4
111.08143	0.4
112.70221	0.4
113.02412	0.5
123.08158	0.4
125.09711	2.0
135.08235	0.4
137.09715	1.3
145.71669	0.3
149.13298	0.4
151.11295	0.6
163.11261	0.4
165.12830	1.1
171.10254	13.4
172.10605	0.9
175.11269	1.2
179.05647	0.6
183.13879	1.3
193.12329	15.9
194.12688	1.0
197.15451	1.1
199.07584	0.9
203.10785	0.4
211.13351	2.6
212.13985	0.4
221.11836	0.8
225.14943	17.5
226.15247	2.1
238.12051	0.5
243.15996	7.7
253.14362	1.0
291.19693	1.5
305.21500	0.5
341.23297	100.0
342.23636	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.0
69.03450	2.2
70.07909	2.5
71.01366	1.9
76.49426	0.6
82.87153	0.6
83.05036	1.3
84.02145	2.4
85.48797	0.6
97.02934	0.9
97.06586	11.7
125.09697	1.7
127.11329	1.0
133.60149	0.6
137.09741	1.6
149.13248	0.7
164.51044	0.6
165.12750	1.0
171.10265	11.3
183.13832	0.6
193.12321	14.4
197.15184	0.7
211.13335	3.3
225.14938	19.8
226.15190	1.3
243.16002	8.4
253.14510	1.9
280.73877	0.7
291.19693	1.6
328.84985	0.7
341.23285	100.0
342.23639	12.1
343.14822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.5
70.22131	2.7
71.01380	36.1
72.01725	1.0
73.02947	9.4
109.07928	0.8
115.00365	18.6
123.93006	0.8
133.01401	2.0
135.04503	1.1
163.11288	4.8
181.12326	100.0
182.12660	8.5
225.11310	53.4
226.11603	3.9
341.12326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42230	0.9
61.39634	0.7
69.53226	0.7
69.53432	1.8
69.53835	3.2
71.01374	20.7
73.02931	3.5
90.14822	0.8
90.90120	0.7
91.01875	0.7
95.05029	1.8
99.39120	0.8
109.02842	0.9
115.00372	16.3
122.24007	0.8
133.01369	2.7
137.05701	0.7
163.11238	4.3
181.12329	29.5
182.12651	2.6
191.29843	0.9
207.10246	1.8
225.11304	100.0
226.11630	5.3
245.04686	0.8
250.37466	0.8
341.12137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
56.32539	0.7
57.03436	2.9
58.00592	4.0
59.01375	100.0
60.01708	0.7
62.46807	0.7
69.71819	2.7
69.72215	1.4
71.01376	62.7
72.01738	1.4
72.59656	0.7
72.99295	2.8
73.02927	1.9
83.01400	1.6
85.02943	10.7
87.00870	4.8
89.02436	85.8
90.02805	1.6
95.01376	3.3
97.02943	1.3
98.19923	1.1
101.02435	26.9
113.02444	24.8
116.35240	0.9
119.03490	28.5
119.64304	0.8
125.02397	1.0
131.03488	3.0
131.54144	0.8
135.04498	5.9
143.03499	7.4
149.04523	3.0
161.04533	11.0
174.94754	0.8
179.03529	4.6
179.05589	36.1
180.05934	1.9
191.05589	4.7
219.43326	0.8
341.10849	54.8
342.11194	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	341.1084
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01883	1.1
57.03434	1.8
58.00579	3.4
59.01375	100.0
60.01701	1.4
63.48455	0.4
68.37933	0.5
69.54812	2.9
70.28027	0.5
71.01376	68.1
72.01718	1.3
72.99306	2.8
73.02946	2.4
75.00880	0.6
79.66274	0.5
83.01390	2.1
85.02940	10.9
86.44727	0.5
87.00874	5.1
89.02438	85.4
90.02751	1.0
90.77599	0.6
94.38503	0.6
95.01386	4.6
99.00862	0.8
101.02434	33.0
102.02768	1.0
113.02443	29.3
114.02744	1.1
119.03487	30.1
125.02390	0.7
131.03474	4.2
136.50174	0.5
143.03482	7.5
149.04573	2.9
161.04535	11.4
179.05594	40.2
180.05981	1.2
186.99290	0.7
341.10834	54.3
342.11185	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	341.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63601	0.2
50.64943	0.2
59.01381	2.0
63.32421	0.2
69.79782	0.5
69.80185	0.9
71.01387	1.3
75.55399	0.2
78.03110	0.2
79.95732	1.6
80.96508	0.9
85.02946	0.5
89.02426	0.3
92.27545	0.2
95.95251	0.9
96.96003	41.1
101.02423	0.8
103.18935	0.2
122.97564	0.7
138.00284	0.3
138.97049	0.6
150.97041	0.7
180.98079	0.7
231.00092	0.3
241.00218	1.4
341.09067	100.0
342.09372	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	341.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70247	0.5
59.01373	3.0
63.50382	0.4
71.01379	3.0
72.99312	0.8
75.00870	0.7
79.95731	3.5
80.96519	1.4
83.01390	1.0
85.02944	1.9
89.02459	0.7
95.95240	3.0
96.96007	94.3
97.95940	0.7
98.20734	1.0
101.02443	1.8
113.02469	0.7
116.29051	0.4
122.97593	0.7
129.01941	0.8
133.01476	0.5
135.44220	0.5
138.97063	1.2
150.97070	1.8
159.03055	0.5
164.98669	0.7
177.04036	7.0
180.98111	1.3
213.00774	0.8
241.00204	2.7
256.99756	4.6
294.70721	0.4
302.02341	0.5
341.09088	100.0
342.09390	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01883	1.1
57.03456	1.3
58.00593	3.4
59.01377	100.0
60.01718	1.3
64.60475	0.7
68.78386	0.7
71.01379	70.6
71.18937	1.4
71.19297	1.1
72.01710	1.1
72.46078	0.7
72.78178	0.6
72.99312	3.4
73.02952	2.0
80.04513	0.8
83.01387	1.8
85.02947	9.5
87.00881	5.2
88.27393	0.8
89.02442	83.0
90.02798	2.1
95.01405	3.8
99.00831	0.7
101.02438	35.3
102.02789	1.4
107.03529	0.9
113.02444	27.8
114.02799	0.9
117.01943	1.5
118.78051	0.8
119.03495	30.6
125.02422	1.0
131.03514	4.9
135.04517	2.8
137.44740	0.7
143.03477	10.3
149.04579	3.3
161.04559	10.5
161.05751	1.3
179.05592	37.6
180.05923	1.2
191.05547	1.6
233.91048	0.9
273.44922	0.8
282.18811	0.8
341.10858	49.5
342.11224	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.32825	0.3
59.01376	4.1
61.98839	0.5
68.54271	0.3
69.72243	1.1
69.72653	1.1
71.01377	3.6
71.15552	0.3
73.02911	0.4
85.03875	0.4
87.00887	0.5
89.02443	3.2
91.05492	0.4
98.20013	0.6
100.85639	0.3
101.02423	1.2
107.05009	1.1
107.60261	0.4
109.02968	1.1
113.02451	0.8
115.00356	1.3
117.03477	0.4
119.03464	1.1
133.01405	1.2
134.03752	2.7
135.04517	95.5
136.04851	5.4
161.02417	0.4
161.04582	0.4
163.03882	0.5
171.00676	0.4
178.06348	0.4
179.03485	100.0
180.03810	5.3
195.04997	0.4
297.07492	0.6
314.23776	0.4
341.08423	4.9
354.45731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98500	1.0
53.45660	1.0
55.01873	1.7
57.03428	1.3
58.00578	5.2
59.01379	100.0
61.98832	3.0
64.91022	1.0
67.30942	1.1
69.24383	8.1
69.24801	2.6
71.01380	64.9
71.27161	1.2
72.99303	4.1
73.02928	3.6
75.00851	1.5
83.01379	3.4
84.93080	1.1
85.02945	12.4
85.46773	1.2
87.00872	4.8
89.02444	70.7
95.01368	4.6
101.02439	37.2
112.67143	1.2
113.02444	26.3
114.05597	2.3
115.00346	1.5
119.02673	2.2
119.03492	29.4
131.03493	3.8
134.03702	2.9
135.04523	70.2
136.04829	3.4
137.02391	2.3
143.03513	7.5
143.07158	2.5
149.04521	1.7
161.04538	9.9
169.05037	2.8
178.91095	1.4
179.03471	57.1
179.05563	18.7
180.03784	3.0
187.06096	4.7
225.11325	2.3
226.12064	1.4
341.08755	65.3
342.09637	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	341.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01967	0.3
55.01860	0.4
57.03433	0.4
59.01381	1.7
69.99609	1.1
71.01366	1.7
73.02949	0.4
78.23205	0.4
79.95737	1.2
80.96507	1.4
83.01395	0.5
85.02944	0.8
92.81209	0.3
96.96004	53.7
101.02414	1.6
109.07483	0.3
113.02444	0.4
122.97601	0.6
135.04529	1.3
138.97038	1.3
150.97058	0.8
159.77821	0.4
179.03497	1.1
180.98138	0.5
198.99141	0.7
225.11366	0.4
241.00211	2.7
341.09070	100.0
342.09409	8.1
363.75320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
52.13249	0.3
58.58940	0.3
63.13974	0.3
69.70997	2.1
71.00368	0.3
88.26581	0.4
115.36753	0.4
163.11281	100.0
164.11603	8.2
230.01122	0.4
339.23257	67.3
340.19693	0.6
340.23618	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	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.44590	0.4
54.40576	0.4
57.03468	0.5
59.01375	12.8
61.98864	1.3
70.13267	1.6
71.01375	16.8
72.99346	1.2
73.02979	0.8
78.95927	0.5
85.02960	1.0
87.00901	0.7
88.32690	0.4
89.02434	7.0
89.02934	0.5
93.03474	0.7
95.01412	0.5
95.19205	0.4
96.96039	1.1
98.19945	0.4
101.02425	1.9
107.05035	1.3
109.02982	1.5
113.02412	2.0
114.75421	0.4
115.00365	6.2
115.05391	0.3
119.03484	2.7
119.05029	0.7
121.02992	0.5
133.01424	6.3
133.02925	0.5
134.03746	2.9
135.04512	98.2
135.16713	0.4
136.04828	5.0
137.02419	1.4
137.09706	0.4
143.03516	0.4
145.02913	0.6
149.02414	1.0
152.21355	0.4
159.04477	0.6
161.02431	0.6
161.04530	1.2
161.05954	0.9
174.03235	0.9
175.03958	1.3
179.03482	100.0
180.03801	5.6
187.03934	0.4
187.07646	0.5
195.05038	0.7
225.11290	4.4
226.11325	0.5
255.06329	0.4
281.04428	0.6
297.07474	0.5
321.07404	0.5
341.08514	17.1
342.08923	1.7
347.12756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49334	0.8
55.22944	0.9
59.01375	100.0
61.98823	1.2
71.01381	5.8
85.02938	4.0
86.03318	1.1
87.00857	1.1
93.03454	2.4
96.96017	1.5
101.02420	2.3
102.23217	0.8
115.00352	2.7
133.01408	5.7
133.02942	2.0
135.04510	1.5
136.04025	2.1
149.02403	1.8
155.80234	1.1
161.02425	3.1
161.04611	1.3
177.01874	1.9
191.05592	13.6
192.05931	12.6
193.06061	22.1
223.06070	1.7
224.01929	3.0
239.07080	1.4
251.07016	1.0
267.06625	2.0
279.14407	4.9
339.04971	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52782	0.6
59.01377	83.6
60.01697	1.2
61.98823	0.6
67.25659	0.5
70.71146	0.7
70.71469	1.0
71.01375	5.1
73.02965	1.2
83.01417	0.5
85.02947	1.8
89.02467	2.8
89.03988	1.5
96.96057	0.9
99.00911	1.2
101.02419	4.7
105.03483	2.9
113.02448	3.1
114.00761	0.5
115.00400	1.0
115.01246	0.5
119.03522	1.1
123.53654	0.6
133.01396	1.7
133.02950	7.5
140.18962	0.5
149.02359	0.8
159.02948	0.7
161.04538	5.5
163.78613	0.6
176.01149	1.0
177.01918	100.0
178.02249	4.9
179.03461	0.6
267.06781	0.6
279.11566	1.2
279.14487	16.8
280.14755	1.4
339.07501	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	339.1994
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
66.49989	0.2
79.95734	1.1
80.13830	0.3
87.64165	0.2
98.19761	0.5
98.95575	0.4
114.66177	0.3
119.05017	1.1
170.00423	1.7
183.01186	45.4
184.01813	3.2
197.02762	2.7
198.03430	0.3
211.04234	0.3
212.05186	0.2
216.00891	0.7
225.05864	0.7
239.07417	0.7
253.09102	0.3
315.20831	0.3
322.26685	0.3
339.19946	100.0
340.20261	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	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01375	1.5
70.98551	0.5
87.81156	0.2
89.03977	1.7
104.02662	0.5
105.03456	3.1
105.55843	0.2
108.93618	0.2
133.02953	8.6
134.03287	0.4
138.11017	0.2
148.01668	0.8
149.02432	0.8
176.01158	1.8
177.01921	100.0
178.02260	5.1
229.81538	0.3
245.74922	0.2
274.43085	0.2
339.07196	14.0
340.07532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
70.45157	3.3
71.01375	34.4
73.02922	1.2
98.19891	1.1
103.23484	1.0
111.04528	1.3
115.00366	26.1
133.01399	3.0
133.10175	2.2
135.11794	17.0
161.09692	1.8
179.10760	100.0
180.11101	6.7
223.09721	35.5
224.09970	2.3
280.75925	1.0
298.34424	1.3
321.96292	1.0
339.14566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58383	1.2
53.21923	1.4
55.56150	1.4
63.69858	1.2
68.23518	1.5
69.87204	3.2
69.87595	2.9
71.01374	21.4
73.02939	1.7
91.01886	14.0
103.24120	1.4
109.02950	4.8
115.00363	22.2
133.01434	2.1
133.10193	1.7
135.00867	30.0
135.11792	16.6
137.02399	1.5
148.43109	1.5
153.01912	19.6
161.09697	2.0
179.10762	100.0
180.11092	6.8
192.47464	1.4
223.09726	43.1
224.10127	3.8
246.35745	1.3
339.07236	10.7
361.07877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97104	0.9
57.03437	1.1
59.01371	4.0
67.42699	0.9
69.26547	5.8
69.26956	1.9
71.01374	26.7
91.05569	0.9
93.07082	2.1
98.20700	1.9
109.02940	2.9
115.00361	12.7
124.70793	1.0
133.01410	3.2
133.10243	1.2
135.00870	3.0
135.11795	3.9
153.01953	7.3
161.13367	5.5
161.14568	1.3
178.12396	1.2
179.10779	4.9
205.12300	12.4
223.13359	100.0
224.13676	7.5
243.92508	0.9
270.73370	1.0
339.14328	1.1
340.17529	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	339.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70378	0.6
57.03442	0.6
59.01366	2.8
65.50214	0.5
69.03448	0.8
69.41763	4.2
71.01380	21.8
71.05017	1.4
81.03452	2.0
83.05022	12.4
93.07090	0.7
96.96008	0.7
106.92210	0.5
107.08615	0.6
113.09728	2.0
115.00362	11.3
115.07690	3.5
116.00806	0.5
127.03992	0.8
127.08739	0.5
133.01422	3.5
135.08113	0.6
139.06624	1.1
139.07628	10.2
149.13344	2.4
149.88428	0.5
156.10289	4.4
157.08688	15.2
158.11841	4.2
161.13332	2.6
179.10793	0.9
181.12317	2.9
187.12917	0.6
193.12321	4.2
199.09763	9.8
205.12378	4.1
223.13380	100.0
224.13763	8.6
242.13968	1.3
339.18369	1.2
340.21234	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	337.0926
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.64804	0.2
59.01374	1.6
60.99273	0.2
67.01875	0.6
69.03442	0.4
70.85619	0.6
71.01373	0.9
73.46426	0.2
74.46606	0.2
75.22616	0.2
80.39794	0.2
82.27398	0.2
83.04982	0.3
85.02941	6.5
87.00851	1.8
93.03454	4.2
99.04521	0.3
103.26359	0.2
109.02960	0.6
109.32497	0.2
111.04524	1.1
119.05018	1.6
127.04004	2.0
131.03752	0.6
132.04214	0.2
133.01489	0.2
133.04890	0.4
137.02646	0.2
145.02927	0.8
163.04007	1.6
171.02991	0.4
173.04514	1.9
191.05595	100.0
192.05928	3.8
237.42932	0.2
337.09348	2.8
337.15103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03450	0.5
59.01376	13.7
60.99286	1.3
61.80758	0.3
67.01884	4.6
69.03448	1.0
69.54198	2.4
70.91859	0.3
71.01378	1.8
74.48762	0.4
81.03448	0.9
83.05004	0.8
85.02949	5.5
87.00871	5.7
93.03452	22.8
94.03763	0.8
94.71449	0.3
96.95998	1.9
97.44414	0.4
99.00809	0.4
99.04507	0.9
109.02930	0.5
111.04524	3.1
111.96237	0.3
113.02414	0.7
113.06830	0.4
115.04002	0.4
119.05022	9.5
120.05335	0.9
127.04008	1.5
129.01927	1.3
133.01353	0.5
137.02457	0.5
145.02936	1.5
145.27206	0.4
155.03513	1.0
163.03998	9.6
164.04321	0.6
167.70908	0.4
171.02936	0.7
173.04533	13.2
174.04738	0.5
190.93181	0.3
191.05597	100.0
192.05931	4.8
281.36224	0.4
284.26541	0.3
337.09332	6.5
338.09900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14948	4.2
59.01377	86.4
60.22622	4.2
61.98830	15.0
69.90855	25.4
71.01377	18.1
71.32724	5.0
85.02966	9.4
87.00850	13.0
89.02464	7.5
93.03468	32.5
98.19997	10.1
101.02424	9.8
103.25556	5.1
111.23248	5.3
119.05025	6.8
121.02930	7.1
122.08783	5.5
137.02463	25.6
139.04012	100.0
141.24879	5.0
161.04604	7.8
163.04083	12.0
174.01697	6.4
174.40543	4.7
188.27034	5.4
191.05624	78.4
203.05563	8.9
265.19818	5.2
276.98117	6.6
277.05646	5.8
301.09171	22.2
337.08014	27.3
337.15204	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	337.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.98843	1.5
63.40395	0.8
71.01379	20.6
71.52038	1.1
72.99306	1.5
79.05531	0.7
83.01380	6.0
84.86025	0.9
89.74029	0.8
96.96018	1.5
108.02165	1.7
115.00367	15.2
133.01419	2.3
133.10229	26.6
134.10606	0.8
152.01147	1.5
158.35298	0.8
161.81647	0.8
173.04552	1.1
177.09193	100.0
178.09552	5.7
191.05621	1.5
221.08022	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	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37674	0.5
54.26403	0.5
54.87096	0.6
57.03432	0.7
59.01377	15.0
60.99302	1.0
67.01884	2.8
68.99805	1.1
69.03442	1.1
69.33723	5.0
71.01369	9.0
72.99303	2.7
73.02961	1.2
75.00896	0.8
81.03457	2.1
83.01384	6.8
83.05032	1.0
85.02936	5.9
87.00874	14.7
93.03453	19.1
96.96004	2.7
99.00874	12.1
101.02427	2.2
107.05043	1.0
108.02180	0.7
109.02947	14.7
110.03285	1.3
111.00902	0.8
111.04510	3.1
113.02446	1.5
114.99567	1.4
115.00368	19.8
119.05031	7.7
121.02940	1.6
121.06602	3.3
122.03568	0.6
123.04543	0.8
124.01685	0.7
125.02416	1.1
127.00372	1.7
127.03989	1.2
129.01952	0.9
131.05038	0.8
132.02055	0.7
133.01437	1.1
133.02956	9.0
135.04529	8.3
137.02455	1.0
137.06024	0.6
137.08899	0.6
137.42111	0.6
139.00394	0.7
139.04068	0.8
145.02942	3.8
146.03687	1.1
147.04527	8.2
148.05324	5.4
149.06070	100.0
150.03174	1.4
150.06393	5.1
151.03999	0.8
153.01915	0.7
155.03421	1.0
157.01416	1.7
159.02980	1.7
159.04509	2.7
161.02429	31.2
161.05980	3.3
162.02930	1.2
163.04008	10.9
164.04314	0.7
165.05566	4.9
173.04546	13.6
173.05975	0.7
174.03221	2.2
175.02461	13.0
175.04001	16.8
176.04562	1.0
177.01910	19.9
177.05525	2.4
178.02359	1.2
179.03516	2.7
187.04018	0.9
188.04826	0.9
189.05539	5.4
191.03804	2.5
191.05600	77.7
192.04256	1.1
192.05951	3.0
193.05040	14.9
194.05357	1.1
201.05634	0.8
203.03529	1.1
203.07076	1.0
205.05090	3.4
206.02205	3.2
215.03537	0.8
219.02974	27.3
219.06470	1.4
220.03313	2.3
221.04454	1.0
231.06573	2.4
233.04514	17.6
234.04790	1.7
237.04019	50.7
238.04367	3.6
249.07597	3.5
255.05183	0.8
275.05594	2.5
277.03485	9.1
278.03934	0.8
289.35095	0.7
293.06616	8.7
319.04495	2.6
337.05618	10.5
337.09500	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	336.9397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86532	0.6
59.01370	2.0
60.63884	0.6
61.98833	0.7
71.49902	1.3
76.24023	0.6
82.80836	0.6
93.71143	0.7
98.84389	0.6
116.03891	0.6
119.93726	0.7
134.96082	33.4
135.96136	2.9
136.93999	64.7
137.94060	5.2
141.50241	0.6
151.92717	5.1
152.91745	31.4
167.90482	3.5
178.95047	100.0
179.95140	9.9
183.02736	0.6
194.92798	53.2
195.93150	1.2
210.90771	2.2
212.93848	2.5
223.23265	0.8
241.31953	0.7
247.87106	5.4
248.37239	2.5
248.87067	2.5
250.94009	2.4
252.91888	3.1
256.87607	4.0
257.87750	0.7
267.54721	0.6
274.88733	11.3
275.88834	1.9
276.86783	0.9
287.84991	8.0
288.35016	6.8
288.84906	4.2
292.94971	9.9
293.95117	0.8
294.85101	1.2
294.92883	13.9
295.92929	1.5
316.84464	1.6
336.83350	3.0
336.93948	83.4
337.94098	10.8
354.84323	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	336.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92171	1.5
56.12051	1.6
59.01377	100.0
61.98833	10.0
62.94215	1.4
64.01212	1.5
65.43817	1.6
69.69756	4.3
69.70164	4.2
71.01371	12.6
72.99318	2.7
73.02959	3.2
74.06070	1.5
75.00858	3.4
76.80121	1.5
78.95901	14.8
83.01369	2.6
85.02947	3.8
87.00865	2.0
89.02430	3.7
96.95918	1.4
99.00877	3.7
100.78172	1.4
101.02395	4.9
111.00916	2.2
111.01992	13.8
112.98777	6.0
113.02438	3.5
113.99556	2.1
115.00296	2.0
115.03982	4.6
121.38467	1.5
129.01955	8.2
130.08727	19.9
131.09091	1.5
142.99846	2.5
161.04567	3.7
173.00842	2.7
174.01640	3.4
177.96649	2.1
178.95125	2.0
191.05582	4.4
191.98317	3.1
192.95915	3.4
194.95546	3.9
196.62985	1.7
197.28008	1.6
205.03490	4.2
225.01735	4.0
261.53525	1.9
276.10867	2.6
277.06216	1.8
277.09131	7.8
337.04190	4.1
337.07803	9.4
337.11249	2.4
337.14630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.8
61.98838	2.9
71.01375	10.3
71.51344	2.2
73.04061	25.8
78.31142	1.0
83.02502	13.3
85.02946	4.6
85.04082	3.2
87.00867	3.5
89.02423	5.3
93.03452	16.2
96.96016	1.7
99.00865	1.4
99.61533	1.2
101.02446	3.6
109.02841	1.2
111.04538	3.4
111.08167	2.7
113.02444	2.2
113.03583	6.8
115.00384	3.4
116.07171	88.2
117.07520	2.8
119.03556	2.2
119.05024	56.1
120.05328	1.6
124.07671	2.5
129.10341	23.4
133.01411	3.3
135.04541	2.7
136.07669	3.9
137.02441	1.4
138.05621	2.6
147.04517	2.8
155.07082	1.7
155.45917	1.4
155.51793	1.2
159.04523	3.2
163.04008	58.9
164.07129	1.6
168.06653	4.0
173.04495	9.0
177.05574	2.6
180.06563	1.9
186.12463	17.0
191.05605	61.4
203.03464	1.3
218.11855	25.3
219.07706	20.1
219.12260	1.8
230.11476	9.6
277.12021	3.8
279.13574	1.5
336.15649	100.0
337.09555	5.8
337.15405	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	336.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91533	0.4
58.66656	0.5
58.81632	0.4
59.01376	15.3
61.98821	1.1
66.81223	0.4
69.77756	0.5
71.01372	5.5
73.02943	1.6
83.01384	0.6
85.02950	5.3
87.00866	1.1
92.05058	6.8
93.03458	2.6
99.00889	0.6
101.02438	1.6
111.04553	0.7
113.02450	1.2
115.00343	1.2
116.05079	0.9
118.02982	2.2
119.04987	1.0
120.04538	1.3
127.03986	0.9
130.06662	0.7
130.16486	0.4
131.03764	100.0
132.04558	92.2
133.01413	2.0
133.04895	4.7
144.04532	6.4
145.04977	0.5
146.06128	1.8
148.03134	0.4
157.05325	0.6
158.06111	5.6
159.04541	2.1
160.72321	0.5
161.04543	4.0
163.04013	0.7
171.02905	0.6
172.03998	0.6
173.04523	1.0
174.05591	12.0
174.07103	0.8
177.05487	1.1
186.05632	3.8
191.05597	48.7
203.03598	1.1
203.05667	1.3
276.08755	1.8
337.09363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.8
58.00579	1.9
59.01377	60.8
61.71089	1.1
64.87701	1.0
70.66978	2.7
71.01379	39.7
72.99323	1.4
73.02941	1.4
73.04082	1.3
83.01437	1.3
83.02548	1.2
85.02958	5.6
87.00890	2.5
88.50872	1.0
89.02441	51.0
93.03456	4.9
95.01390	2.3
101.02454	15.6
107.59432	1.1
111.08154	100.0
112.08503	3.6
113.02444	14.6
116.07157	6.7
119.03494	20.0
119.05106	1.5
129.10312	2.2
137.02438	9.3
143.03528	2.9
145.99771	1.2
149.04568	1.9
155.07133	87.8
156.07455	4.7
161.04507	3.8
176.01773	1.2
179.05600	10.6
214.44949	1.2
219.07730	1.7
219.12570	1.7
336.15570	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	335.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51249	2.3
59.01372	62.0
61.98826	6.0
65.03970	13.1
66.03481	4.1
69.04571	2.5
71.01382	8.9
72.57842	2.4
80.05053	42.4
83.01390	3.4
86.10841	2.5
92.05045	4.2
94.06605	4.2
96.04536	17.8
96.96008	2.7
99.00904	3.8
101.78566	2.3
106.06638	8.7
106.66480	2.2
108.04536	8.3
111.08118	3.2
113.06094	12.7
115.00382	4.1
116.05077	7.1
118.06644	7.9
120.04553	7.0
122.02457	12.6
124.04026	7.3
127.23918	2.3
128.10809	66.8
132.04538	2.9
133.01422	5.3
135.09297	4.6
142.11188	2.3
150.05611	4.9
154.12350	5.4
162.05608	29.0
166.05086	33.0
179.08217	6.3
181.13426	11.7
194.04639	4.1
201.11276	8.5
210.04048	37.2
247.05473	3.0
247.18140	5.0
291.17090	100.0
291.20294	5.2
292.17398	11.3
335.12250	9.7
335.16388	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	334.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77991	3.7
61.98828	100.0
70.97930	3.9
71.50984	4.1
99.36698	3.6
104.04723	3.6
125.19035	3.6
238.95308	3.6
325.23755	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	335.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.1
58.00583	2.3
59.01376	60.1
68.86980	1.2
70.28429	1.2
70.83479	2.4
71.01379	40.3
72.99323	2.7
83.01389	1.3
85.02946	4.9
87.00886	2.1
88.24639	1.3
89.02438	57.1
92.96725	1.0
93.03451	3.2
95.01395	2.9
95.05018	1.3
96.96033	2.2
101.02438	21.3
111.08154	96.0
112.08495	4.4
113.02450	13.8
116.07161	1.5
119.03484	17.6
119.52819	1.1
137.02457	4.9
139.07603	1.5
143.03465	4.3
143.99742	1.2
149.04512	2.1
155.07129	100.0
156.07480	4.7
160.04050	12.8
161.04570	4.2
179.05600	13.0
204.53923	1.3
219.12331	2.7
320.73526	1.3
335.13348	6.2
336.07397	1.7
348.44220	1.3
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
50.63613	0.5
55.47422	0.6
57.03450	0.9
59.01377	100.0
60.01713	1.4
61.98836	1.4
71.01374	9.3
73.02956	2.1
83.01389	1.2
85.02979	2.0
96.96048	0.9
99.00897	0.8
101.02421	5.3
113.02454	1.1
115.00380	1.2
134.03714	1.0
135.04510	4.4
161.04613	1.9
179.03532	4.1
180.96521	0.6
243.08986	0.6
291.18127	4.9
329.95911	0.7
333.13800	0.8
333.17230	1.4
359.72836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	13.8
59.01380	2.5
60.69422	0.3
61.98820	0.6
65.59904	0.3
71.01387	2.6
71.52032	0.4
71.52374	0.4
74.99090	1.6
79.47781	0.4
96.96008	0.6
97.06590	0.6
100.07804	0.3
102.98594	100.0
103.98931	1.0
115.00382	0.6
120.99648	6.3
133.01422	0.6
135.04510	1.1
139.11281	1.3
158.51332	0.4
163.00703	4.9
178.02521	0.3
179.03510	0.6
245.15840	1.0
248.89926	0.4
333.05957	0.5
333.13663	1.0
333.17294	0.7
333.25528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39241	1.3
57.03447	1.6
59.01379	76.9
61.98820	1.5
64.12431	1.4
64.62975	1.3
66.34558	1.5
69.03461	3.3
71.01378	40.7
71.51877	2.4
72.01728	2.3
72.99315	2.7
73.02937	19.7
78.95902	2.7
85.02959	8.4
85.27029	1.4
87.00872	3.1
89.02438	3.4
92.91903	1.3
96.96014	4.7
97.06578	9.7
99.00909	1.4
101.02450	5.1
105.01941	2.0
111.02919	1.3
113.02463	3.3
115.00370	36.9
125.02420	3.2
126.48957	1.5
129.10339	1.5
133.01418	29.8
137.09718	12.1
147.04506	1.9
152.99547	2.4
155.10774	94.0
156.11089	5.6
157.08690	1.7
161.04559	2.5
164.07109	3.3
171.10260	49.0
172.10635	1.5
179.03445	2.6
181.00089	1.5
181.08658	3.8
186.12354	1.5
187.02428	1.8
197.11819	1.7
199.09741	20.7
199.13332	2.1
215.12907	8.5
217.10861	52.2
217.14401	100.0
218.11153	4.9
218.14787	10.2
273.13388	18.8
291.14456	73.3
292.14871	7.4
329.69186	1.5
333.05914	2.8
333.09610	2.0
333.15695	34.0
333.19177	3.7
334.17462	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	333.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49229	2.0
78.95899	83.9
96.96014	0.7
96.96960	16.7
97.08487	0.3
128.46367	0.3
150.98009	1.0
152.99576	68.5
153.99913	0.9
171.00636	8.0
174.23584	0.3
213.03590	0.3
223.00217	0.8
241.01172	37.9
242.01486	1.0
259.02194	2.3
272.85614	0.6
290.82782	0.5
314.86649	0.5
333.05899	100.0
334.06229	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	333.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48117	0.3
58.59640	0.3
58.99599	13.7
59.01374	2.6
60.73292	0.3
61.98817	1.0
69.37633	1.4
69.38049	0.8
71.01379	1.5
74.99087	1.8
78.95018	0.3
79.07778	0.3
96.96027	0.5
100.60005	0.3
102.98591	100.0
103.99019	1.5
113.09742	0.5
115.00336	0.4
120.99644	9.1
133.01346	0.3
135.04527	0.5
139.11293	3.1
140.11694	0.3
162.99370	0.5
163.00694	5.6
203.11086	0.5
211.87196	0.3
255.06551	0.3
264.20160	0.3
333.13904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94507	2.0
54.27235	1.6
59.01377	28.2
60.92607	1.7
70.65796	4.8
70.66151	2.3
71.01410	1.9
73.27959	1.5
87.08556	1.6
89.43719	1.7
146.99776	1.7
148.29295	1.7
148.74936	1.8
163.01324	2.0
247.74612	2.1
249.18567	100.0
250.18906	7.6
331.18900	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	331.1912
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
52.38023	0.4
52.38626	0.4
59.01371	1.0
61.98824	0.5
68.79376	0.5
71.01364	1.2
71.51512	0.6
96.95993	0.5
108.02146	0.5
210.19362	0.5
287.79459	0.5
295.72775	0.4
320.04034	0.5
331.19098	100.0
332.19449	12.1
340.57129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2487
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03465	0.6
58.00585	0.7
59.01366	0.9
61.98819	1.0
71.01378	1.2
73.02955	0.4
96.96011	0.4
98.20667	0.8
100.84883	0.3
125.09714	1.1
127.11282	6.2
134.14937	0.3
135.04491	0.4
137.09819	0.3
143.10748	0.9
151.05527	0.3
155.10776	1.9
157.12347	3.7
158.37724	0.3
171.10260	1.8
187.13362	1.0
196.55956	0.4
198.06032	0.3
201.11320	1.2
215.16513	0.9
255.23280	0.3
260.03104	0.4
283.22266	0.3
285.24289	0.4
295.22751	1.2
310.28552	0.4
311.22202	0.9
313.23822	7.2
314.24033	0.4
329.23300	4.4
330.23648	0.6
331.24869	100.0
332.25235	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	333.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39427	1.0
59.01373	34.7
61.98826	8.8
63.49178	1.3
71.01367	3.4
71.32072	1.6
72.99284	1.4
73.02943	2.0
74.02432	1.0
78.95900	61.5
85.87822	1.3
87.00858	2.2
90.97134	5.2
96.96944	10.8
98.12759	1.1
99.00883	1.7
100.98794	7.6
101.02448	1.1
104.98681	3.5
115.00332	1.9
117.01912	3.6
118.96593	3.7
119.00242	2.3
127.97517	3.3
130.52669	1.2
132.98196	18.6
133.05048	7.6
134.03683	1.3
135.04518	4.3
142.99844	3.3
144.04504	1.5
144.98193	3.1
146.99753	100.0
148.00102	2.1
148.98604	2.9
152.99570	58.4
155.98857	1.4
161.01309	46.6
161.02440	1.8
171.00642	5.5
172.97656	33.3
173.97928	1.9
174.96527	4.1
174.99237	49.6
175.02443	13.6
175.99527	1.4
179.03458	2.7
189.00795	55.8
190.01134	1.6
190.94243	3.3
190.98689	2.0
198.95567	10.7
200.97141	1.6
214.98686	3.0
215.02202	1.0
217.10710	1.7
241.01164	25.5
244.99753	9.0
259.02179	1.7
263.00729	2.6
272.99271	32.0
273.99670	1.6
288.98938	1.4
291.26938	1.2
324.45993	1.2
333.05872	71.8
334.06213	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.09238	0.5
57.03436	0.8
58.00582	0.9
59.01377	1.1
69.30757	2.0
69.31179	2.5
73.43244	0.5
95.31551	0.5
98.20698	1.2
103.99085	0.6
123.08121	0.6
125.09722	4.4
127.11285	9.0
137.09692	1.1
139.11290	6.2
155.10751	4.1
157.12253	1.3
165.09210	1.9
171.10258	37.3
172.10591	1.6
183.10318	0.7
199.09778	1.5
201.11308	36.3
202.11670	1.8
223.99791	0.6
275.20084	1.6
293.21240	3.1
311.22192	2.5
329.23303	100.0
330.20001	0.9
330.23654	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03431	1.0
59.01363	1.0
60.41939	0.3
60.95435	0.3
69.03448	0.6
69.59530	1.5
71.01395	0.3
71.05016	0.6
83.05012	0.7
85.02917	0.5
94.78548	0.2
97.02968	0.4
97.06567	0.5
99.08148	6.6
111.08130	0.5
125.09698	1.7
127.11275	3.6
128.11623	0.3
129.09195	0.9
137.09732	0.4
139.11296	5.0
147.92323	0.3
155.08975	1.1
155.10738	0.7
155.14429	1.1
157.12344	0.3
165.12781	0.6
167.10748	0.4
167.14426	1.2
171.10268	11.5
172.10612	0.7
183.13885	5.5
184.14404	0.3
185.11726	0.4
193.12285	2.0
199.07994	0.8
199.13361	0.8
201.11325	0.5
209.11761	1.0
211.13383	28.9
212.13741	2.3
229.14429	15.5
229.16771	0.5
230.14754	1.3
232.07266	0.4
272.28229	0.3
293.21283	1.0
311.22284	0.8
314.04306	0.4
329.23297	100.0
330.23627	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	331.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	6.3
61.42455	2.3
61.98818	2.4
66.12170	2.3
69.88774	9.8
71.04998	2.4
72.99316	2.8
73.84250	2.3
76.21661	2.2
80.07276	2.3
90.15975	2.5
95.01326	2.6
96.96012	4.6
119.05008	3.3
121.06590	24.2
131.38066	2.7
135.66182	2.5
139.07639	100.0
140.07970	5.8
147.04498	37.0
155.91643	2.8
165.05562	18.5
183.06599	99.0
215.09203	4.3
326.26257	2.9
331.19107	4.6
349.95184	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15115	0.5
55.01873	0.7
56.78204	0.6
57.03445	3.2
58.00589	0.9
59.01376	20.3
67.52320	0.6
67.59537	0.6
69.03452	0.6
71.01381	30.7
71.05012	2.6
71.52092	1.0
72.01698	0.7
72.99302	1.3
73.02943	11.6
81.03460	0.6
83.01385	1.4
83.50395	0.6
85.02953	6.2
87.00868	1.0
87.04524	7.7
89.02439	10.8
95.01352	0.9
96.96014	1.6
97.06566	0.9
99.04496	2.6
101.02434	8.8
101.06081	10.0
111.08166	1.0
113.02453	6.2
115.00378	9.7
115.07653	1.3
119.03487	5.5
126.82914	0.6
127.07736	0.7
130.08755	0.8
131.03540	0.6
133.01430	4.2
135.04521	1.8
135.11812	0.7
143.03418	1.0
151.11273	1.1
153.01973	1.2
153.12817	0.8
155.10741	1.0
161.04568	1.8
168.04335	0.6
169.12332	7.8
171.13904	0.9
179.05638	1.1
183.10175	0.9
197.11838	1.3
201.89499	0.7
213.11339	1.2
215.12866	100.0
215.90909	0.7
216.13193	5.9
299.61420	0.7
331.12589	4.2
331.17529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01376	7.7
60.57170	0.6
61.29193	0.6
61.98819	1.0
70.59374	1.4
71.01375	24.9
72.99310	4.1
73.02945	2.6
75.38503	0.7
79.95733	1.8
85.02963	1.7
85.06600	0.6
87.00872	5.7
89.02425	6.3
95.95208	2.1
96.95991	4.2
99.00895	0.7
101.02433	2.3
101.06050	1.3
113.02458	1.0
115.00365	41.1
116.00693	0.9
119.03508	1.3
125.09759	1.0
133.01422	100.0
133.82014	0.6
134.01741	2.5
136.76236	0.6
139.07626	1.9
145.02081	0.6
151.65143	0.6
155.10727	0.7
171.13937	4.3
197.11740	0.7
215.12889	8.7
251.12915	0.7
331.08612	0.6
331.12094	15.9
331.17734	1.8
332.12399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19687	0.5
57.03433	0.7
59.00076	0.6
59.01357	2.5
59.01626	0.6
61.98812	0.8
69.93202	2.1
71.01379	41.0
71.98822	0.6
72.01717	0.8
73.02925	0.6
76.96804	0.5
92.93992	0.6
97.06573	1.1
102.98564	0.6
115.00362	15.2
133.01436	0.7
135.04483	2.7
135.08145	3.9
137.09723	22.3
138.10048	0.7
167.14325	0.7
174.03113	0.8
179.03468	0.9
181.08694	0.9
183.08057	0.8
183.13892	1.7
195.13858	1.3
213.11555	17.8
213.14937	100.0
214.11682	1.4
214.15271	6.6
219.25052	0.6
259.65933	0.6
311.22009	0.9
314.04282	1.8
329.10336	0.7
329.23166	4.0
330.23984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01379	3.0
64.09686	0.5
71.01377	27.6
72.01732	0.6
73.02928	1.0
75.14843	0.4
85.02885	0.5
96.96027	0.4
97.06570	1.1
111.08152	0.4
115.00367	11.1
120.19511	0.4
125.09727	2.2
127.11240	2.3
132.05862	0.4
133.01376	0.6
135.04485	0.9
137.09697	1.5
139.11267	0.5
155.10727	1.6
165.09171	1.1
171.10246	3.2
179.03508	0.7
183.10217	0.6
183.13895	1.6
195.13869	1.6
199.09738	0.8
201.11299	18.4
202.11713	0.9
211.13364	0.9
213.14941	100.0
214.15283	7.8
228.98901	0.5
231.66226	0.4
232.07413	0.7
243.12357	0.6
271.02527	0.6
275.20215	0.7
293.21030	1.7
295.54492	0.4
311.22290	1.4
312.22562	0.5
314.04404	1.4
329.06616	0.9
329.10544	1.0
329.23251	44.2
330.23615	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	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	6.1
59.01374	3.4
61.98831	0.5
69.36623	3.0
71.01378	28.3
85.02977	0.5
88.47388	0.4
93.57047	0.4
96.96009	0.8
102.98593	31.4
115.00368	8.2
120.99646	0.9
123.08131	0.6
133.01411	1.4
139.71048	0.4
155.07021	1.4
158.83240	0.5
163.00629	0.6
168.51712	0.4
169.12344	0.7
171.10219	1.4
175.04018	0.5
183.13889	11.6
183.15416	0.9
184.14180	0.7
195.13892	8.8
196.14343	0.8
213.14944	100.0
214.15289	7.4
231.12326	1.2
232.07381	1.3
248.07153	0.5
299.02225	0.4
311.22513	0.6
314.04303	1.2
329.06683	0.9
329.19864	0.7
329.23282	11.9
330.23523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
56.19306	0.2
57.03452	0.9
58.00589	0.5
59.01376	1.6
61.98822	0.4
69.03454	0.4
69.45666	1.2
71.01379	0.6
71.05022	0.3
73.02929	0.2
83.05031	0.4
84.02151	0.3
85.02953	0.2
90.59071	0.2
95.04984	0.2
97.06615	0.4
99.08151	3.3
99.70981	0.1
111.08184	0.2
125.09714	2.6
126.81837	0.2
127.11277	4.3
128.11545	0.2
129.09200	0.5
135.04512	0.2
137.09709	0.7
139.11261	1.1
141.12833	0.2
151.03847	0.2
155.08974	0.2
155.10748	1.3
155.14403	0.7
157.12376	0.4
165.09200	1.1
165.12807	0.7
167.10789	0.3
167.14407	1.0
171.04466	0.2
171.10249	5.3
172.10587	0.4
179.03276	0.2
183.10344	0.2
183.13887	4.8
184.14223	0.3
184.20981	0.2
185.11839	0.3
193.12299	1.5
199.06030	0.3
199.08104	0.3
199.09740	0.7
199.13353	0.5
201.11308	14.6
202.11659	1.2
205.16855	0.2
209.11823	1.0
211.13368	24.1
212.13708	1.6
213.14992	0.7
229.14420	12.3
230.14754	0.9
232.07390	0.6
241.13480	0.8
266.27402	0.2
269.04492	0.2
271.02673	0.2
275.20154	0.4
293.21207	1.4
294.21698	0.2
297.03796	0.2
299.01956	0.4
309.20724	0.2
311.22269	1.8
314.04352	0.8
327.21631	0.3
329.23285	100.0
330.23615	11.2
332.87744	0.2
350.62048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01367	0.7
70.05790	1.3
71.01376	3.7
73.02946	3.3
82.05399	0.5
83.35663	0.5
90.97112	1.1
94.34657	0.6
98.20592	0.5
99.00887	2.3
101.02437	52.6
101.61754	0.5
102.02789	0.7
145.01419	100.0
146.01752	2.3
149.04504	0.9
156.98186	2.9
158.99745	3.2
172.97594	0.8
182.97029	1.2
185.01324	1.5
187.02798	0.8
198.99283	1.3
200.97128	9.3
201.00778	3.3
210.99210	4.2
213.00838	2.0
222.99242	1.3
229.00343	1.5
229.79442	0.6
231.01785	6.8
232.02036	0.6
266.98288	1.1
268.93616	0.9
270.02600	0.8
284.99222	5.3
328.98279	13.1
330.04742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01363	1.1
66.79195	0.4
71.01385	1.3
71.04600	0.5
79.13483	0.4
80.02679	0.5
88.04031	1.3
95.01414	0.6
101.02409	0.7
108.02165	55.1
109.02491	1.9
120.47045	0.4
123.00922	0.5
123.04515	21.7
124.04839	0.8
138.53746	0.4
152.01135	37.2
153.01498	1.5
164.63545	0.4
167.03477	100.0
168.03798	5.0
213.04028	0.8
233.95010	0.4
244.21358	0.5
308.42136	0.5
329.08948	0.9
329.18243	0.6
330.16391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39717	0.3
59.01378	3.3
59.88164	0.3
69.79423	1.5
71.01371	1.9
73.02942	0.6
79.95723	1.7
80.96510	1.6
83.01379	0.7
85.02946	1.3
96.96003	61.6
99.00852	0.5
101.02427	1.4
111.88829	0.3
122.97567	0.9
127.28017	0.3
138.97084	1.2
147.68690	0.3
150.97052	1.1
152.98647	0.4
164.98553	0.5
180.98073	0.7
198.99141	0.5
234.94537	0.4
241.00238	3.3
251.59119	0.3
301.51407	0.3
302.19672	0.3
309.01221	0.3
329.09061	100.0
330.09445	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	329.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
59.01379	2.3
62.14235	0.4
70.70081	0.7
70.70399	0.5
71.01380	2.2
73.02929	0.7
75.78732	0.4
79.95746	1.6
80.96522	1.5
82.88016	0.4
83.01396	0.5
85.02948	0.8
95.95239	0.4
96.96007	68.9
101.02426	1.4
102.82576	0.4
111.32915	0.4
113.02461	0.6
122.97559	0.8
138.97041	1.1
150.97031	1.1
153.08986	0.4
180.98015	0.5
198.99127	0.5
207.65210	0.4
241.00262	3.0
329.09085	100.0
330.09436	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78220	0.6
58.99594	1.2
59.01376	3.8
67.89571	0.8
71.01394	1.1
85.02923	0.9
86.78056	0.6
95.08641	1.0
97.06631	0.7
102.98589	6.1
109.02968	1.6
112.03509	1.0
115.70986	0.6
121.10224	1.8
152.35051	0.6
155.08989	100.0
156.09314	5.3
165.09195	9.0
179.05487	0.6
199.07957	84.6
200.08319	5.8
211.13376	1.3
232.07509	1.2
243.02872	1.1
243.10248	0.8
271.02411	1.1
299.01929	1.3
314.04294	1.6
329.06509	1.5
329.23306	11.4
330.23676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81635	0.5
55.01884	0.6
57.03444	1.9
57.07117	0.5
59.01377	3.2
61.98848	0.7
69.90761	0.6
69.91118	3.0
71.01380	60.0
72.01726	1.0
73.02913	0.7
77.56588	0.6
84.21362	0.6
94.04263	1.0
97.06557	0.7
109.06638	1.0
115.00368	18.9
119.08572	0.5
127.11320	0.6
133.01477	0.9
135.04509	1.0
135.08168	15.6
136.08481	1.0
137.09724	100.0
138.10039	5.4
181.08714	2.0
196.59161	0.5
210.24809	0.6
211.71153	0.6
213.11322	77.9
213.14821	4.0
214.11618	5.8
214.15111	0.7
222.15051	0.6
232.07391	1.1
314.04254	0.7
329.22504	11.3
330.23318	0.6
343.91608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89770	1.1
52.12330	1.0
59.01377	100.0
66.85472	1.0
67.56321	1.0
69.68388	6.6
71.01379	11.2
73.02938	2.1
85.02970	1.1
85.46577	1.1
98.19863	1.1
99.00894	1.2
101.02432	2.9
113.02412	1.2
115.00354	3.7
122.32849	1.0
130.08737	1.2
136.00320	1.1
156.45607	1.0
161.04546	4.8
162.81862	1.0
169.08606	1.3
169.13544	1.3
209.11833	1.6
213.11003	4.4
213.12422	11.4
224.68166	1.1
269.10345	5.6
330.20395	2.3
354.57312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03437	1.4
59.01369	0.8
63.77675	0.5
65.03191	0.4
69.03439	0.6
69.30447	3.9
71.01390	1.1
73.02946	0.6
73.70778	0.4
74.28674	0.5
83.05013	1.2
85.02946	5.6
85.41026	0.5
95.05045	0.9
97.02954	0.8
97.06583	5.3
109.02895	0.5
123.08171	0.5
125.09697	1.5
127.11269	2.1
137.09679	1.0
153.07436	1.2
155.00534	0.5
155.10750	0.6
160.78323	0.5
165.12840	1.4
167.14383	0.8
171.10246	11.7
177.12849	1.1
183.13916	4.1
185.11798	1.2
193.12306	1.7
194.23625	0.4
197.06396	1.2
197.11742	0.8
199.13306	0.4
203.10757	1.0
209.11813	2.3
211.13376	24.0
212.13698	1.4
221.11844	3.2
229.14415	13.6
230.14793	0.7
239.12827	2.2
239.31351	0.5
247.20663	0.5
291.19656	3.0
293.52045	0.5
309.20605	0.7
327.21735	100.0
328.18381	1.1
328.22070	12.5
334.75912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2538
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.92974	1.6
56.13304	1.7
59.01368	7.2
61.98833	2.2
71.42872	2.2
71.43226	2.4
74.75510	1.7
75.18230	1.8
79.71796	1.8
83.05011	3.8
89.02409	3.4
91.04014	6.3
91.50996	1.8
102.98668	1.9
143.15175	2.3
144.22083	1.7
184.39670	1.7
185.00743	8.2
235.20659	27.9
236.20926	2.7
253.21718	100.0
254.22079	12.5
274.42090	1.8
327.18521	14.5
328.18381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.045
Annotation	2',3'-Cyclic AMP
Peak:m/z	Relative Intensity
59.01377	2.0
61.77913	0.2
61.98826	0.8
63.09580	0.2
69.58926	0.2
71.01379	1.3
71.11032	0.4
71.18916	0.2
72.99306	0.7
73.02953	0.2
78.95873	0.5
85.02971	0.2
88.04028	0.2
89.02434	0.6
90.97150	0.2
92.02528	1.0
98.04008	0.2
99.00861	0.4
101.02436	0.7
107.03635	4.4
108.02130	0.3
113.02428	0.3
115.00382	0.2
117.01966	0.2
119.04967	0.2
121.07609	0.2
122.03735	0.5
123.04488	0.3
130.08751	0.2
132.98186	0.5
134.04724	100.0
135.05196	2.3
136.07652	0.2
138.05640	0.3
144.98206	0.3
145.01408	0.2
148.04091	0.5
158.99744	0.5
161.04622	0.3
166.05063	0.4
167.03555	0.3
168.05212	0.3
170.06743	0.2
170.97867	0.3
171.01494	0.2
172.97649	0.5
186.06235	0.6
188.07767	1.8
188.97137	1.2
198.99205	0.3
200.97176	1.1
201.00839	0.5
202.09373	1.4
210.99199	0.5
229.00316	0.4
230.98222	0.8
231.01848	0.6
246.06418	0.3
254.05295	0.2
284.99225	0.6
286.07858	0.8
314.04120	0.3
328.04456	3.8
328.08072	0.4
328.98065	1.5
329.05347	0.3
329.22003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03446	2.2
66.68286	1.0
70.80911	2.1
73.02928	3.1
97.06548	2.2
98.03709	2.0
99.08198	1.1
112.05309	1.3
113.09731	1.4
115.07634	3.5
124.99091	1.1
125.09694	2.3
126.16870	1.2
127.07644	3.9
127.11313	1.4
129.09200	25.0
130.09550	1.1
141.09175	9.9
141.12778	1.3
141.30576	1.0
155.10771	21.8
171.10245	16.0
185.11795	40.5
186.12097	1.2
197.11804	29.9
198.12173	2.7
209.11813	6.7
211.13234	2.6
242.09460	1.2
247.20709	1.9
254.63885	1.2
291.19632	13.8
292.19983	1.5
309.20673	28.9
310.21011	3.1
327.21732	100.0
328.21915	9.9
335.16095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83578	0.3
53.53006	0.3
55.01853	0.3
57.03444	1.9
58.00587	0.4
59.01372	0.6
69.03434	1.5
71.01373	1.1
71.05007	0.4
71.51696	0.4
81.03459	0.4
83.05024	1.2
84.02138	0.5
85.02937	5.7
95.04998	1.2
97.02939	0.8
97.06577	5.0
101.12349	0.3
101.67776	0.3
109.06590	0.4
110.03746	0.4
119.08688	0.4
123.08186	0.5
125.09698	1.3
127.11272	2.0
137.09695	1.8
138.92195	0.3
149.09676	0.4
153.07452	0.4
155.10753	1.0
155.14368	0.5
163.11266	0.5
165.12802	1.4
167.10710	0.5
167.14328	1.4
171.10255	15.0
172.10585	0.8
175.11240	0.4
177.12828	1.3
181.12338	0.4
183.13873	5.1
185.11839	1.8
185.87593	0.3
193.12303	1.6
195.13872	0.5
197.11803	0.8
201.11357	1.1
203.10765	0.7
209.11768	1.5
211.13374	23.2
212.13681	2.0
221.11798	3.3
222.12059	0.3
229.14413	13.2
230.14694	0.6
235.99959	0.3
239.12851	2.4
247.20610	0.6
291.19647	3.9
309.20654	1.6
327.21729	100.0
328.22061	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
58.00585	1.5
59.01377	3.4
68.19847	0.4
69.03460	0.9
71.01363	0.5
83.05016	1.0
97.06599	1.8
98.03720	0.7
98.20668	1.1
99.08163	0.5
105.40063	0.4
109.06546	1.0
111.08157	8.6
111.68649	0.4
127.07640	2.1
129.09213	4.1
141.09206	1.8
153.12857	1.1
163.11179	0.7
165.12816	0.6
169.12328	4.5
171.10239	1.7
181.12317	1.7
183.13901	1.0
185.11842	6.8
193.12360	1.1
197.11829	40.3
198.12225	2.7
199.13423	5.8
209.11804	12.3
210.11987	0.4
211.13393	4.6
227.12910	2.1
229.14470	0.6
249.79544	0.5
291.19589	3.1
309.14877	1.1
309.20724	4.5
327.16330	2.7
327.21741	100.0
328.22079	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	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
58.00595	1.2
59.01377	1.4
67.38906	0.7
69.03445	4.5
69.60703	4.3
69.61035	1.2
72.13764	0.8
83.05034	0.8
85.25749	0.7
89.65668	0.6
108.05827	0.9
111.08125	0.8
114.05647	0.6
119.08660	8.1
125.09747	3.2
126.50857	0.7
127.11269	3.5
135.08147	2.0
136.08572	0.6
137.09715	22.7
138.10068	0.8
139.11133	0.8
165.09247	1.0
171.10262	100.0
172.10634	5.7
181.88461	0.7
197.11829	4.0
201.11308	19.9
202.11678	1.6
213.11356	4.1
252.83218	0.7
260.45825	0.7
273.18680	1.0
273.30829	0.7
291.19626	2.6
309.20703	8.3
327.21729	59.4
328.22113	7.4
344.00018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1082
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00590	1.2
59.01376	41.8
61.28884	0.9
67.88663	0.8
71.01379	23.4
72.99292	3.8
80.75262	0.7
85.02930	3.2
87.00871	1.0
89.02439	17.9
95.01382	1.3
101.02435	10.9
103.05536	4.2
113.02431	7.6
115.00366	1.0
119.03494	8.5
119.04971	4.8
131.03519	1.1
147.04509	100.0
148.04848	4.5
159.10008	0.8
161.04524	1.4
164.84047	0.8
165.05574	13.9
179.05615	1.3
179.42828	0.9
181.82170	0.9
182.54247	0.8
203.20082	0.9
315.86670	0.9
327.10794	78.4
328.11194	8.2
332.70120	0.9
341.17447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	0.7
59.01365	2.4
59.01626	0.5
61.98825	0.6
69.32902	0.8
69.33311	3.5
71.01378	28.4
72.99306	1.0
73.02940	1.0
79.95727	0.7
83.05024	0.9
85.06561	0.8
91.67540	0.5
96.96013	0.6
97.06574	0.6
98.19929	1.0
99.00908	0.6
99.08094	0.6
101.02425	1.3
102.98583	1.9
108.02119	0.8
115.00361	14.3
125.79090	0.8
127.11266	0.6
129.20396	0.6
133.01418	1.7
135.11792	2.6
153.07423	10.4
155.10681	0.6
167.14410	2.5
171.10182	1.1
197.06395	8.4
198.82870	0.6
201.11278	4.3
211.13379	100.0
212.13741	7.3
283.13339	1.5
309.20651	0.9
327.15967	4.7
327.21710	10.9
327.25323	1.1
328.22125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68167	0.7
69.49887	5.8
69.50208	1.2
71.01376	68.8
72.01721	0.9
85.06611	0.7
95.46096	0.7
114.99566	1.5
115.00367	24.1
115.48358	0.7
123.59338	0.7
126.98574	0.8
135.11798	1.9
153.07436	5.3
161.71031	0.8
167.14317	1.3
171.10114	0.8
197.06419	4.7
211.13374	100.0
212.13741	5.8
327.21652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	2.9
59.01371	1.1
61.98817	0.9
70.72474	1.3
70.72802	1.5
71.01371	6.9
73.02953	1.9
80.52544	0.9
81.15414	1.0
85.02976	1.2
87.04503	0.9
93.07095	3.4
95.05019	1.9
102.98598	7.4
109.01181	5.9
115.00354	2.7
116.08989	0.9
119.08654	2.4
124.03564	1.3
130.72992	0.8
134.16884	1.2
149.06465	1.0
153.07430	98.8
154.07693	4.5
163.07620	6.6
171.10329	1.5
185.29117	0.9
195.51405	1.0
197.06401	100.0
198.06737	7.1
211.07645	1.0
211.13353	11.0
212.13757	1.3
225.09251	1.5
241.33211	0.9
265.17773	1.6
283.13364	4.6
283.19046	1.5
285.16995	1.1
302.82053	1.1
309.14813	2.7
327.15878	10.6
327.21671	12.5
328.16312	1.1
328.22006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08338	0.4
53.09351	0.4
57.03433	0.6
58.99593	1.8
59.01379	3.4
60.96104	0.3
61.98816	0.5
71.01365	2.2
73.02922	0.7
78.24061	0.4
83.05018	0.7
84.01659	0.4
85.02943	0.6
87.42690	0.5
95.05056	0.5
102.98580	7.5
107.08669	0.7
109.01201	1.1
111.08111	0.5
115.00352	0.9
119.08645	0.5
123.08145	0.4
125.09704	1.6
127.11304	3.2
133.01411	0.5
134.06137	0.5
137.09763	0.6
138.05045	0.4
153.07423	100.0
154.07751	5.2
155.10745	1.0
163.07573	0.5
169.12277	0.4
171.10260	3.7
183.10233	0.6
197.06400	7.8
197.12009	0.4
198.06790	0.6
199.09698	0.5
201.05774	0.5
201.11307	16.7
202.11714	0.7
209.11847	0.9
211.13431	2.2
223.07817	0.6
225.09125	0.5
230.09436	0.6
241.09004	0.7
265.14630	0.7
265.18011	0.7
291.19662	0.9
297.20679	0.7
298.12006	0.4
309.14926	0.7
309.20749	1.3
327.16168	3.0
327.21735	34.0
328.22070	3.7
342.57764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80364	1.4
58.99577	1.3
59.01371	2.3
59.39196	1.1
67.18760	1.2
69.19602	12.3
71.01379	1.5
85.02944	1.5
89.35903	1.3
93.07090	3.8
95.05019	1.5
95.25820	1.2
98.17841	1.2
98.20702	2.9
102.98541	1.4
109.01183	2.0
119.08638	2.1
124.03473	1.5
153.07431	79.9
154.07761	3.5
163.07689	5.8
168.53668	1.2
171.10252	4.3
192.50281	1.3
197.06396	100.0
197.11731	2.8
198.06775	7.5
208.00549	1.3
211.13472	2.6
217.15544	1.2
230.09245	1.4
244.18248	1.1
266.60339	1.5
327.15771	3.0
327.21725	22.2
328.22015	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81233	0.9
58.99590	3.2
59.01371	2.0
60.79007	0.7
61.98814	1.6
71.01379	5.8
73.02938	2.4
83.01556	0.7
85.02930	1.3
87.04513	1.2
93.07078	3.8
95.05008	2.2
96.95977	1.1
98.19884	2.0
102.98581	8.4
109.01194	5.2
109.43801	0.7
115.00359	3.2
119.08649	2.5
124.03506	0.9
133.01414	1.0
148.90433	0.7
153.07426	92.4
154.07831	4.3
163.07648	7.8
171.10251	1.2
188.38354	0.7
197.06398	100.0
198.06726	7.0
211.13380	14.0
225.09146	1.6
225.14983	0.9
226.09816	0.8
230.91530	0.8
254.09459	1.0
255.10147	0.8
255.13892	1.1
265.17999	1.1
283.13351	5.7
283.19061	2.4
285.17111	2.6
291.19843	0.9
298.12167	1.2
309.15063	1.3
327.09351	0.9
327.12512	0.5
327.15903	12.3
327.21716	19.7
328.16455	2.3
328.22244	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0754
Annotation	(E)-2-Methylgeranyl diphosphate
Peak:m/z	Relative Intensity
59.01375	5.8
66.11272	0.5
69.97641	1.9
71.01364	3.6
72.43259	0.4
73.02950	0.8
79.95734	4.3
80.96515	1.7
83.01382	0.7
85.02924	1.6
89.02454	0.9
95.95230	3.0
96.96008	80.6
101.02438	2.1
113.02460	0.7
119.05054	0.7
119.34769	0.5
122.97582	1.0
127.98541	0.5
133.01431	1.0
135.04498	0.7
138.97060	1.3
147.04463	1.3
150.97073	1.4
157.66176	0.5
162.57635	0.5
163.03987	0.7
165.05573	1.6
175.07080	0.5
177.04037	2.8
180.98042	0.7
194.89299	0.5
241.00214	3.2
256.99692	2.6
319.99500	0.4
327.07526	100.0
328.07889	7.1
328.11475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99614	1.3
59.01360	0.9
63.96249	0.8
68.62513	0.9
71.01341	1.0
88.86328	0.8
93.07079	3.4
95.05024	1.5
102.02508	0.9
102.50820	0.8
102.98589	1.0
109.01225	4.4
111.08155	1.2
114.63647	0.9
119.08608	1.5
149.44478	0.8
153.07430	75.8
154.07739	3.7
159.20680	0.8
163.07671	6.5
171.10225	1.2
197.06403	100.0
198.06741	5.7
199.61128	0.8
327.15884	1.4
327.21713	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2169
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01347	0.7
65.34826	0.5
70.46338	1.1
79.95715	1.3
106.84497	0.5
119.04982	0.7
149.09706	88.3
150.10037	4.7
163.11275	100.0
164.11589	7.0
165.99231	0.5
170.00450	0.7
170.77162	0.5
183.01187	33.6
184.01904	6.5
197.02782	1.1
216.00908	2.7
239.07513	0.5
257.03992	0.5
265.25302	0.6
282.39313	0.5
325.18329	75.1
325.21747	88.9
325.26996	3.8
326.18640	8.6
326.22089	13.5
326.27710	0.8
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
54.83110	1.3
57.03436	6.0
58.00615	1.2
59.01359	4.8
63.37727	1.2
66.91569	1.8
69.03435	2.6
69.31100	4.8
69.31538	5.6
71.01375	3.1
71.05008	5.1
73.02944	1.4
76.05719	1.4
78.19072	1.6
80.02671	2.4
83.05010	3.2
85.02988	1.5
87.04458	2.4
97.02957	3.1
97.06576	4.9
98.19870	2.3
103.88996	1.2
109.06586	19.5
111.08160	6.0
115.07601	1.4
123.08160	1.7
125.06049	2.5
125.09710	8.6
127.07650	2.6
127.11307	2.4
137.09700	1.4
137.29291	1.3
144.20909	1.2
151.11264	3.2
151.43942	1.2
155.10782	1.7
160.73477	1.3
165.09114	1.8
167.10689	1.8
169.12306	6.0
171.10152	2.4
181.12328	4.5
183.13924	2.7
193.12299	2.3
197.11807	33.0
198.12140	1.7
199.13332	1.9
201.11310	14.9
209.11780	2.1
211.13382	28.3
213.11363	9.9
221.15521	2.1
227.12836	2.9
235.13419	3.9
237.14920	10.7
245.19040	1.5
247.92606	1.5
249.15080	1.9
289.18121	13.6
290.18295	1.7
307.19171	12.7
325.20169	100.0
326.20563	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
59.01367	2.0
60.07397	0.8
61.18031	0.8
69.03427	1.6
69.61357	4.9
71.01378	5.5
71.05007	2.7
72.02142	0.9
78.10175	0.8
80.02641	1.3
81.03445	1.8
83.05016	5.8
84.02161	3.8
85.02934	2.2
95.05038	2.6
97.02946	1.5
97.06568	4.4
99.08148	2.9
106.93272	0.8
109.03005	1.0
109.06565	2.6
110.03745	0.8
111.08125	1.0
112.05237	0.9
113.09679	1.1
115.07626	2.8
121.06580	1.4
123.04444	1.2
123.08167	1.0
125.06045	0.9
125.09714	5.5
127.07645	16.2
127.11305	1.3
128.07953	0.9
135.08131	2.3
137.09729	1.6
139.07654	5.8
145.40407	0.8
153.09200	12.8
155.10727	4.8
163.11327	4.1
164.73357	0.8
165.09062	0.9
165.12840	3.1
171.10252	15.3
178.09940	2.9
179.10664	1.2
181.12379	1.4
183.13902	1.0
185.11813	19.5
191.10847	1.3
191.14325	0.9
193.12198	1.0
197.11823	20.1
198.12180	2.0
201.11313	1.0
209.11809	80.8
210.12135	6.2
211.13316	3.0
227.12892	1.4
236.10535	0.9
237.11230	1.1
237.14919	1.8
238.12074	6.9
239.16461	1.3
242.56152	0.8
245.19012	4.2
249.14760	1.2
251.16670	0.9
253.18219	1.4
256.13190	3.3
257.13351	1.0
263.16260	0.8
263.20102	1.2
265.17822	1.2
289.18079	12.2
307.19125	100.0
308.19449	15.4
325.20166	49.6
325.24084	1.5
326.20636	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	325.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28541	0.3
59.94958	0.3
65.70391	0.3
79.95747	1.2
83.27865	0.3
119.05004	1.3
141.82152	0.3
170.00429	1.2
183.01186	47.5
184.01872	3.7
197.02756	3.2
198.03328	0.4
202.88464	0.3
216.00977	1.0
225.05873	0.8
226.44220	0.3
230.02580	0.4
239.07442	0.9
261.22049	0.3
313.13208	0.3
325.18387	100.0
326.18732	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	325.2017
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03440	3.1
58.26115	2.0
58.83957	1.9
59.01369	7.1
61.98819	2.8
68.88888	1.7
69.03447	2.4
71.01366	2.9
71.05016	1.9
71.51852	2.0
72.92194	2.1
73.02969	1.8
83.05036	2.9
97.06586	4.8
106.47997	1.9
111.08176	4.1
119.04987	2.4
137.09735	4.2
139.11264	5.2
146.85776	1.7
151.11267	2.6
155.10765	4.7
165.12837	4.0
169.12325	7.1
171.10194	3.1
179.10832	3.3
183.01289	6.2
183.13904	8.8
185.11855	2.8
195.10223	2.2
199.13376	27.4
227.12990	8.8
229.14334	2.5
251.20314	3.0
251.62253	2.0
261.18707	5.0
279.19562	13.1
295.26486	1.8
307.19217	8.3
325.20248	100.0
326.20447	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	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.71937	0.3
54.06180	0.3
57.03446	0.6
57.49169	0.4
59.01375	2.7
61.27369	0.4
68.07153	0.4
69.03426	0.6
69.35751	0.3
71.01376	1.0
71.05016	0.5
71.21225	0.6
71.21572	0.5
72.99294	1.4
73.02915	0.5
81.03437	0.6
83.01405	0.4
83.05034	1.2
95.04987	0.8
97.06573	1.2
98.03685	0.4
109.06600	0.6
109.92727	0.4
111.08126	0.6
113.06091	0.5
113.09707	1.5
115.07639	1.3
123.08111	0.8
125.06075	0.9
125.09721	0.6
126.06850	0.7
127.07627	1.6
137.09691	0.4
141.09210	3.8
143.07257	0.4
148.63893	0.3
151.11273	2.3
152.08417	0.6
153.09225	0.8
153.12856	3.0
154.10046	0.4
155.14336	0.4
163.11322	0.5
165.12816	0.8
171.10220	1.6
181.12321	1.2
183.01204	0.6
183.13916	0.8
185.11824	0.5
188.04776	0.9
189.09119	0.4
193.07132	0.4
197.11795	3.3
199.13403	3.1
200.08443	0.8
200.13649	0.6
205.16057	0.5
209.11845	2.1
210.12587	0.9
211.13287	0.8
215.12843	1.7
217.08699	1.1
227.07114	1.4
227.12859	7.4
228.07866	1.4
228.13246	0.6
229.14423	3.8
248.39017	0.4
251.20123	2.1
255.12038	0.5
256.13074	2.1
261.18509	4.4
262.18808	0.7
263.20038	1.1
268.93469	0.4
279.19653	11.6
280.20093	1.4
283.19043	3.1
289.17990	1.1
297.20511	0.7
307.19141	5.1
325.20166	100.0
326.20511	12.8
326.24377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
57.03447	0.7
59.01376	6.0
61.98820	0.8
64.72331	0.8
70.65032	2.0
71.01395	1.0
91.44367	0.9
96.20873	0.8
103.48848	0.8
107.08640	2.7
107.42888	0.9
111.08106	0.8
119.45757	0.7
137.09682	1.3
137.90353	0.7
139.11273	2.4
153.12929	0.8
165.12689	1.1
169.12274	0.8
171.10323	1.7
177.12756	1.3
199.13487	1.4
207.25346	0.7
213.11322	2.6
229.14423	1.3
239.12898	1.9
247.20670	2.4
256.99832	0.8
263.19962	1.5
265.14337	0.7
272.49066	0.8
273.18564	1.8
274.14182	0.7
291.19638	31.4
292.20004	3.6
305.20996	1.2
308.19864	6.4
323.22235	100.0
324.22620	11.8
327.11365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10813	0.4
54.39356	0.4
59.01367	1.7
64.22871	0.6
69.32191	1.2
69.32602	2.8
71.01379	7.1
72.99303	0.9
73.02944	1.0
78.07945	0.5
85.02962	1.7
87.00853	0.8
89.02439	1.1
95.37938	0.5
98.19933	1.1
99.00880	0.7
101.02454	3.6
101.03938	2.7
101.93173	0.6
113.02463	1.7
115.00352	2.5
117.03474	1.6
119.05019	100.0
120.05356	4.7
133.01424	4.7
133.02937	0.7
133.05084	1.8
134.01749	0.6
135.04512	0.6
145.01411	2.8
146.04527	0.6
148.81389	0.5
161.04601	1.9
163.03999	30.5
164.04332	1.3
222.13986	0.5
229.05055	0.7
231.10208	0.7
242.37701	0.5
288.23932	0.5
299.74094	0.6
325.09436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10395	0.2
59.01361	0.4
69.48926	1.0
69.49330	0.3
71.01371	3.1
73.02938	1.1
77.39827	0.2
83.01398	0.3
84.02184	0.2
85.02959	1.1
86.39319	0.2
87.00852	0.2
91.05533	1.9
98.19944	0.4
99.00841	0.2
101.02439	1.7
101.03956	5.7
102.04336	0.3
108.42992	0.2
113.02476	1.5
117.03461	2.9
119.05020	100.0
120.05354	5.8
159.02922	0.4
161.04532	1.9
163.03987	4.1
163.05254	0.3
164.04350	0.3
217.22084	0.2
291.98810	0.2
325.09210	4.2
326.09506	0.5
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-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.51167	0.3
59.83925	0.4
64.36523	0.3
70.57393	1.1
71.01373	0.4
77.50995	0.4
95.54935	0.4
113.41926	0.3
114.05605	0.5
119.05019	100.0
120.05361	4.7
163.03998	79.3
164.04323	4.0
325.09161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0925
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
57.71308	0.2
57.71684	0.2
59.01361	0.7
70.70200	0.8
71.01376	3.3
71.52753	0.3
73.02952	0.9
85.02945	1.5
91.05527	1.3
92.47715	0.3
99.00897	0.4
101.02451	2.7
101.03960	5.4
112.29011	0.3
113.02435	2.3
114.34817	0.2
117.03460	2.6
119.05022	100.0
120.05348	4.9
132.23820	0.3
134.06387	0.3
159.02979	0.8
161.04520	2.7
163.04008	6.6
164.04362	0.5
262.96820	0.3
273.77176	0.3
304.20462	0.3
310.78525	0.3
325.09256	6.2
326.09598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
57.03442	0.3
59.01365	0.9
63.78424	0.3
64.75581	0.3
71.01384	4.8
71.27164	0.4
73.02946	1.4
83.01366	0.6
85.02949	1.9
91.05526	0.4
95.01415	0.3
99.00877	0.5
101.02460	2.7
101.03078	0.3
101.03236	0.4
101.03946	5.6
113.02464	2.3
117.03456	2.5
119.05022	100.0
120.05355	4.5
159.02888	0.5
159.64792	0.3
161.04546	2.9
163.04005	1.1
165.10316	0.3
224.36263	0.3
246.28456	0.3
325.09329	1.1
326.09592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16367	0.5
59.01378	100.0
60.01712	2.0
61.82876	0.5
68.25315	0.7
68.95088	0.5
70.86774	0.8
70.87130	1.2
71.01379	6.8
73.02963	1.3
74.99737	0.5
83.01386	0.7
85.02959	1.4
85.12424	0.5
86.61903	0.5
89.02464	2.0
95.05042	0.6
99.00887	1.3
101.02444	3.8
101.06086	1.6
113.02498	1.5
119.03541	1.6
133.01447	0.7
137.39342	0.6
151.40486	0.6
153.09872	0.6
161.04576	4.6
179.05605	0.7
263.11331	3.6
323.13339	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.45195	0.9
57.03431	0.8
57.24526	0.9
57.50956	0.8
58.00586	2.7
59.01377	86.8
59.47243	0.8
70.84735	1.7
71.01379	42.7
72.99298	3.0
73.02943	0.8
83.01385	2.9
85.02953	9.3
87.00867	1.5
89.02438	45.5
95.01379	2.9
97.07500	0.8
101.02435	26.5
113.02445	16.7
115.00372	2.0
117.26183	0.9
119.03487	21.1
119.22260	0.8
131.03500	0.8
133.01343	1.9
134.02118	0.7
143.03477	1.5
143.07138	1.2
149.04526	1.7
161.04549	1.1
161.08110	2.0
163.04066	1.0
174.86464	0.8
179.05585	2.8
191.05568	1.7
212.35834	0.9
281.46494	0.9
323.13443	100.0
324.13770	7.1
343.67377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32846	0.3
52.51203	0.3
59.01376	100.0
60.01708	1.2
70.40175	0.3
71.01384	2.6
73.02938	0.8
83.01420	0.3
85.02953	0.5
96.96017	0.4
101.02448	1.4
106.14219	0.4
113.02464	0.8
119.92480	0.4
161.04611	0.7
263.15002	3.6
264.15414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	1.3
60.65809	0.6
61.98824	4.2
65.69325	0.5
69.27618	3.8
69.74900	0.6
71.01383	5.5
73.02924	1.1
83.01378	0.8
85.02960	1.2
87.04277	0.6
95.77693	0.6
96.96019	1.4
98.19847	1.3
101.02448	2.2
102.98610	2.0
107.05025	8.4
108.05386	0.7
111.98937	0.5
113.02453	1.2
115.00402	1.2
129.05583	1.0
133.06621	0.8
133.50455	0.6
135.04507	1.5
137.02399	0.6
149.04318	0.9
151.04002	7.2
161.04601	0.6
163.11349	0.7
179.03491	1.3
207.10220	0.8
237.14935	6.1
251.07233	0.8
263.14963	4.5
281.10379	2.2
281.13733	2.7
323.05722	1.2
323.14883	3.7
324.14917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03444	5.2
59.01354	2.6
67.01878	1.9
67.56940	0.8
69.03459	6.4
69.12487	0.7
70.65462	1.9
70.65807	0.9
71.01357	0.9
72.03542	0.9
72.99299	2.7
80.02663	1.6
81.03448	6.3
83.05022	13.9
93.03420	1.4
95.05012	3.7
97.02949	3.4
97.06590	1.4
99.22713	0.8
107.05002	1.3
109.06586	2.7
111.08137	2.6
121.06580	1.3
123.04481	2.0
123.08131	1.3
125.09721	1.8
135.08142	2.1
135.69649	0.8
137.09723	12.5
138.10001	1.0
139.07643	3.1
141.09177	1.6
149.06064	2.8
149.09741	2.6
151.07581	1.8
153.60956	0.9
155.10754	6.9
161.09682	1.0
163.11327	4.3
164.08415	2.1
165.09183	0.9
171.10298	1.1
177.09195	0.8
179.10736	8.2
181.12344	4.7
193.08769	1.0
193.75552	0.9
195.10262	27.4
196.10635	2.3
203.14383	1.4
207.10213	2.1
209.11787	2.1
221.11775	2.2
225.11281	9.4
241.76720	0.9
259.16998	8.2
261.18948	1.0
277.18057	4.8
305.17575	19.5
306.17883	1.5
323.18600	100.0
324.18936	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03439	0.9
58.00584	2.8
59.01377	84.3
60.01704	1.3
69.65776	2.7
69.66163	1.8
71.01379	42.8
72.99292	1.9
73.02947	1.9
77.14130	0.8
83.01353	1.3
85.02945	8.3
89.02441	46.4
90.02779	1.1
95.01384	3.9
99.04571	0.9
101.02438	24.8
102.08712	0.9
108.60365	0.8
113.02448	13.6
115.00359	3.1
119.03497	21.4
120.21687	1.1
131.03540	1.6
133.01410	3.5
143.03450	2.1
149.04572	1.0
161.04578	1.2
161.08151	1.5
163.03966	1.8
179.05553	2.5
183.57646	0.9
191.05528	1.0
209.08157	1.0
233.53790	1.0
253.03178	0.8
305.80661	1.0
308.04984	1.0
323.13443	100.0
324.13803	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	323.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.9
71.01372	8.5
71.50328	2.4
72.75422	1.3
72.99294	1.9
73.02942	45.0
78.95889	1.8
85.02936	2.2
87.00897	2.5
89.02441	5.4
98.42027	1.1
99.00888	7.3
101.02432	2.4
112.98735	1.7
113.02444	2.3
115.00349	3.7
117.01935	100.0
118.02316	2.2
119.03520	1.7
129.00517	2.1
133.01443	4.9
134.70503	1.4
135.95021	1.1
141.00459	3.5
142.99855	5.7
143.07085	1.3
144.06693	1.7
145.01405	1.6
149.04553	3.1
154.98340	1.8
156.99922	5.6
161.00896	5.6
161.04465	1.5
163.95264	1.3
176.65921	1.3
178.05122	1.6
191.05605	2.6
202.03400	1.2
212.96434	1.6
225.44200	1.3
250.98178	2.6
252.99779	2.3
268.99295	6.6
278.97690	4.0
322.96625	8.2
323.13440	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69357	0.4
55.12507	0.4
59.01376	100.0
60.01711	1.3
61.98839	0.8
71.01386	3.5
71.51608	0.5
72.99316	0.5
78.66279	0.4
80.91653	0.7
89.02443	3.3
96.96029	1.3
101.02468	1.4
113.02477	1.2
119.03487	1.1
161.04625	0.6
173.04430	0.6
179.03702	0.5
179.05641	0.8
186.98201	0.5
203.73732	0.5
223.22758	0.4
261.13412	0.6
290.68695	0.4
321.10257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98829	2.3
69.61893	6.9
71.01379	15.3
72.99284	1.5
73.02934	4.0
74.30987	1.1
75.90903	1.2
83.01382	2.0
85.02951	6.1
87.00869	1.6
89.02431	4.5
96.95998	7.7
98.91674	1.0
101.02435	8.4
113.02437	4.6
115.00395	2.7
119.03477	1.7
122.03712	6.5
133.01477	1.1
135.04533	1.6
137.09706	1.4
142.16548	1.3
153.17220	1.1
155.10791	7.1
159.03030	1.4
161.04651	5.0
161.05862	1.4
168.00610	1.7
176.63359	1.3
190.31294	1.0
199.09712	5.0
229.13239	1.2
233.12280	1.4
321.10416	4.5
321.18912	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	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.25488	0.1
57.03465	0.2
58.02975	2.0
59.01374	0.4
59.79267	0.1
69.61899	0.7
81.03465	0.5
83.05036	0.2
95.05020	0.8
97.06592	0.6
98.19957	0.1
109.06607	0.7
121.78874	0.1
127.84329	0.1
128.10818	7.2
129.11214	0.2
130.08736	100.0
131.09079	3.4
165.12854	1.1
172.09776	0.6
172.62727	0.1
235.42340	0.1
278.21292	0.2
286.01096	0.1
322.20200	36.7
323.20615	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	323.059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58957	0.9
55.08715	0.8
56.98031	25.6
59.01376	8.3
61.98825	1.1
69.77372	1.0
69.93253	3.6
69.93646	1.9
71.01370	2.6
73.53361	0.9
79.95689	0.9
82.99603	3.6
84.41947	0.9
89.03965	12.2
93.03449	0.9
95.04996	1.5
96.95966	2.2
99.02777	0.9
109.02927	7.4
109.06577	1.3
115.05518	2.3
123.02740	60.1
123.99868	1.2
124.03058	3.0
126.13734	1.0
133.01239	1.7
133.02928	1.1
133.06638	1.2
147.02733	3.3
148.03505	1.8
149.04292	100.0
150.04617	6.1
159.04453	1.8
167.01723	9.4
171.10275	2.2
192.44411	0.9
193.03258	96.6
194.03619	6.5
195.10071	1.1
305.17465	2.2
309.26395	0.9
323.05414	1.2
323.18564	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01866	2.4
57.03442	6.0
58.00594	2.7
58.99595	2.1
59.01379	100.0
69.03437	6.1
69.33224	14.5
71.01379	73.8
71.05007	8.3
72.99314	4.9
73.02941	12.4
80.96524	3.2
81.06789	1.8
83.01371	6.3
85.02937	18.7
87.00867	4.2
87.04529	2.4
89.02441	44.2
93.03473	1.9
95.01377	5.2
96.96009	12.6
99.00894	3.7
101.02441	42.1
113.02448	22.2
115.00352	9.7
119.03505	23.1
125.02406	4.5
127.07644	1.8
131.03482	2.8
133.01418	8.8
139.07597	3.1
141.09216	2.5
143.10756	2.4
157.08688	3.8
159.04471	3.5
161.04559	7.7
169.08696	2.9
179.05576	4.1
185.11819	1.7
201.11372	3.1
203.03575	5.3
203.08145	5.8
203.12875	53.4
204.13176	4.0
275.14917	4.4
287.11331	2.5
319.08652	18.9
319.13943	98.2
320.14255	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	6.9
59.01370	0.7
67.05213	0.5
69.62897	2.1
72.00901	4.6
80.95236	0.5
82.06625	2.3
84.64559	0.5
91.05522	11.0
97.13028	0.5
103.05532	1.0
112.07687	3.5
116.05038	0.5
118.06639	2.6
126.09246	1.5
129.10335	67.1
130.10701	2.4
135.04550	0.5
141.10367	0.5
147.04504	24.3
148.04819	1.2
153.10309	3.3
154.08742	9.1
155.09067	0.7
164.07147	59.4
165.07550	3.0
171.11380	46.9
172.11687	2.3
183.11371	0.6
216.13882	1.4
233.16559	33.3
234.16895	2.6
275.17575	5.6
277.15649	2.6
319.16580	100.0
320.16922	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36274	0.5
57.03441	1.6
59.01379	9.5
61.98825	1.5
70.09201	1.8
71.01386	0.7
72.99300	1.5
73.02951	0.5
79.23573	0.4
79.95728	2.1
81.69413	0.4
85.02953	1.1
86.45627	0.4
87.04023	0.8
87.04512	9.0
88.04821	0.5
96.86214	0.4
96.96007	100.0
98.19936	0.5
101.02415	0.7
101.06075	2.8
105.01932	0.8
113.02466	0.5
121.10239	0.5
129.15137	0.4
153.09224	4.3
156.33539	0.5
161.00882	0.6
161.13277	0.6
167.00168	1.1
223.13319	0.5
241.14439	15.3
242.14748	1.1
277.11224	0.8
288.54999	0.5
321.10101	86.8
322.10364	6.1
322.13760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.0
71.01381	2.7
71.27976	0.4
77.49250	0.2
87.00883	0.3
89.02445	3.7
96.96059	0.3
101.02438	1.3
113.02480	1.1
119.03477	1.6
131.03488	0.3
138.85298	0.3
143.03566	0.4
158.24025	0.2
179.05653	0.7
265.90863	0.2
277.96875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29020	0.6
59.01376	100.0
60.01719	1.0
69.70124	2.7
69.70516	1.3
71.01387	1.3
71.48111	0.6
71.51847	0.6
85.02975	0.8
98.20631	0.8
101.02451	1.5
110.79999	0.5
113.02466	0.7
123.05153	0.6
161.04504	1.0
192.95143	0.6
203.61453	0.6
211.64555	0.6
235.04715	0.6
261.13477	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.5
69.22842	1.3
69.23244	3.1
71.01389	3.4
85.02946	0.6
87.04522	1.1
89.02446	3.1
96.96011	15.7
96.96615	0.9
101.02431	1.3
101.06087	0.7
102.51103	0.5
113.02453	1.2
119.03519	1.2
120.99656	0.8
153.09253	1.1
241.14537	1.7
280.96448	0.5
321.10110	11.0
322.10364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.01366	2.1
69.03464	0.7
69.67731	3.3
69.68571	0.6
70.62629	0.6
71.01379	25.8
71.05003	1.5
72.01714	0.6
72.99316	1.3
73.02943	68.8
74.03285	1.1
83.05014	1.7
85.02927	0.8
86.43416	0.7
109.06578	1.1
113.09675	1.0
115.00375	15.3
127.07642	3.1
130.08734	1.7
131.70784	0.6
133.01448	2.5
133.02956	1.3
134.06126	0.9
135.04518	2.6
136.04001	0.8
136.07677	1.2
139.07619	1.6
139.11252	0.7
155.10765	2.1
156.11124	0.7
157.08684	12.2
157.11198	0.7
177.01875	0.9
179.03497	0.9
183.10263	2.9
199.09785	1.7
201.07767	3.6
201.11322	100.0
202.11629	5.7
285.04068	1.6
317.05438	1.2
317.12036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39566	0.4
57.03440	2.2
59.01370	2.5
60.95478	0.4
66.69180	0.4
69.66635	1.0
69.67031	1.1
71.01376	11.2
91.84116	0.4
96.95982	1.4
110.60001	0.4
111.08151	1.5
115.00378	6.2
116.00798	0.5
119.56796	0.4
133.01413	1.3
137.09720	0.8
139.11282	36.5
140.11620	1.8
155.10872	0.5
157.12309	0.7
162.32816	0.5
183.10252	16.1
184.10583	1.3
199.09691	0.5
199.13335	1.0
201.11308	100.0
202.11641	5.6
257.17526	1.2
275.18594	0.8
317.16263	0.5
317.19714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99600	13.5
59.01361	6.1
71.01367	2.0
71.52178	2.3
74.26003	1.3
85.06593	8.3
85.92667	1.5
86.70644	1.5
96.96022	1.9
102.98592	100.0
103.98920	2.0
120.99643	23.1
141.12848	97.0
142.13165	5.5
145.59932	1.5
153.25171	1.4
163.00731	3.3
167.14380	2.5
177.21941	1.5
187.11624	18.5
188.11891	1.7
249.70621	1.5
257.74173	1.3
300.01221	1.5
317.14124	3.7
317.17572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11736	0.3
59.01380	0.6
63.96224	0.7
70.39784	1.2
70.40132	0.4
71.01374	4.7
72.91199	0.4
72.99303	0.3
73.02924	1.3
78.98583	4.4
79.95734	5.6
80.96510	42.7
81.03453	0.8
85.02945	1.8
87.00856	1.1
94.97496	0.6
94.98080	9.2
96.95993	0.9
97.02921	1.0
101.02433	1.5
106.98070	2.2
122.97562	2.1
125.02453	2.8
134.97583	3.1
136.99129	1.1
146.97586	0.4
148.99118	4.2
152.98619	5.2
164.98601	7.4
202.00275	0.4
206.99709	2.2
225.00722	13.1
252.33879	0.4
256.87677	1.5
271.86752	0.4
274.85248	1.5
274.88739	2.4
289.84021	0.5
289.87308	1.0
298.88684	1.3
316.86182	1.8
316.89740	2.8
317.05435	100.0
317.89822	0.7
318.05795	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12179	1.5
59.01363	3.3
71.01356	3.2
71.52418	2.8
73.02966	1.6
78.27967	1.8
96.96014	2.8
106.06617	100.0
110.02458	3.6
116.05029	7.4
122.06121	4.3
123.03238	2.9
124.04029	1.9
132.04497	2.2
134.06111	1.8
138.05586	21.4
140.07132	16.8
150.05623	14.8
152.03529	40.5
153.03860	2.3
157.08945	3.1
158.09784	2.0
166.05063	20.0
167.05864	96.9
168.06204	4.0
170.09682	4.6
186.12842	15.7
194.04587	2.4
195.46407	2.0
201.07933	15.0
202.12466	2.3
212.10658	2.2
215.09534	9.4
225.06628	5.0
226.07443	5.4
229.08968	3.8
230.11806	40.8
239.08302	2.4
240.08916	7.2
255.07126	2.0
255.11378	47.9
256.11636	3.3
273.12427	62.4
274.10764	8.2
274.13293	2.3
299.10376	13.9
317.11368	74.9
317.20554	2.7
318.11588	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57649	0.6
57.03434	0.6
59.01381	1.9
69.80114	3.4
71.01377	26.4
71.05022	0.8
72.01685	0.9
73.02940	75.6
74.03273	1.4
76.25446	0.6
80.96540	0.9
82.15569	0.7
83.05022	2.2
85.02963	0.7
85.25244	0.5
98.20665	0.8
99.92593	0.7
109.06574	1.5
112.66951	0.6
113.09695	0.8
113.44344	0.6
115.00367	17.4
127.07651	2.6
130.08691	1.7
133.01430	2.9
133.02942	1.1
134.06206	0.7
135.04559	3.3
139.07596	1.5
149.41382	0.6
155.10783	2.4
156.11176	0.6
157.08684	12.4
157.11296	1.0
177.01927	1.1
183.10312	2.2
199.09740	1.1
201.07590	2.6
201.11313	100.0
202.11674	5.6
212.17383	0.7
222.76633	0.6
239.13974	0.9
285.04135	1.4
317.05484	2.0
317.12186	1.7
317.15933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48438	3.6
71.01376	8.7
73.02942	0.9
79.43540	0.5
83.85474	0.5
84.38009	0.5
100.19247	0.6
115.00366	12.7
133.23299	0.5
137.09723	2.0
144.36461	0.6
155.10768	51.5
156.11119	3.4
199.09737	100.0
200.10085	6.8
315.11029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40511	3.0
58.02987	3.0
59.01381	30.6
59.08767	2.8
60.37191	2.9
61.98837	4.5
70.12139	11.2
71.01380	34.2
72.99314	4.0
73.02949	4.0
74.02470	4.0
74.99108	8.4
89.02444	4.4
93.03481	4.6
96.95993	5.6
97.73596	2.8
98.02485	3.5
101.02467	5.4
109.02967	4.3
111.04532	8.5
114.05604	5.9
115.00335	19.9
118.98089	28.6
120.99667	4.6
123.73515	2.8
128.03549	3.3
130.08701	7.0
133.01440	5.1
135.04532	5.5
136.99165	4.8
137.09650	5.0
143.11906	8.3
153.01900	19.5
153.05569	5.5
155.10774	100.0
156.11115	4.9
167.66856	3.0
181.08725	4.6
199.09737	95.3
200.10027	6.5
266.88898	3.5
286.14151	4.9
297.10852	3.7
315.03937	3.6
315.07272	6.3
315.11911	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	315.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
69.78695	2.4
71.01375	23.2
71.05013	2.2
87.70070	0.5
105.86880	0.5
115.00356	9.7
133.01414	2.3
153.12854	4.4
155.10773	1.7
199.13373	100.0
200.13708	6.7
315.14499	0.8
323.32211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21504	1.0
56.54180	0.9
69.59322	5.1
71.01377	33.4
71.05001	1.3
72.94627	0.8
84.23875	1.0
98.19992	1.3
99.67201	0.8
115.00370	17.1
139.11244	1.9
153.12819	2.6
155.10725	2.1
199.13380	100.0
200.13704	7.1
203.29579	0.9
211.02536	1.1
212.82364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.9
59.01365	0.8
60.57580	0.5
61.74949	0.4
70.20055	1.3
70.20446	1.0
71.01376	15.3
72.99304	4.3
73.02942	1.3
78.95905	0.8
78.98583	0.9
79.95742	0.9
80.96507	9.0
85.02995	0.6
87.00867	1.0
89.02447	2.4
90.97115	1.2
94.98073	2.1
99.00919	0.8
100.28318	0.5
101.02435	13.8
115.00361	41.1
116.00753	0.5
116.98676	0.8
129.52686	0.6
133.01421	100.0
133.85541	0.5
134.01779	2.4
134.30721	0.4
144.98199	1.0
145.01414	22.2
146.01668	0.6
146.99710	0.7
148.99072	0.6
152.98621	0.9
156.98151	2.3
158.99773	1.4
164.98645	2.4
200.97153	17.7
201.00748	0.7
202.98767	2.4
212.97186	1.2
225.00749	3.1
226.98737	1.7
242.98117	0.7
254.98204	2.3
256.96136	12.8
298.97116	1.0
316.98285	5.9
317.05411	23.4
318.05685	1.6
322.00095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28320	0.2
59.01373	0.7
61.50591	0.3
70.46310	0.9
71.01379	16.3
73.02943	2.6
84.35360	0.3
109.06559	0.3
115.00372	13.9
116.00748	0.3
133.01405	0.6
135.08144	1.0
137.09712	5.6
155.10773	100.0
156.11092	4.9
169.12303	0.5
184.64633	0.3
199.09750	86.4
200.10109	5.8
315.10818	1.0
315.14642	0.3
315.18030	1.5
316.18396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01338	0.5
54.94196	0.5
61.32102	0.4
69.48576	3.5
71.01379	15.9
71.76739	0.5
73.02945	2.6
76.58412	0.5
84.57736	0.6
115.00359	13.6
133.01407	0.7
135.08151	0.9
137.09721	6.1
155.10767	100.0
156.11063	3.0
199.09735	90.8
200.10075	7.1
207.07994	0.6
302.91672	0.5
315.10852	1.5
326.15848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67176	0.5
57.76852	0.5
59.01373	2.5
65.03964	5.2
67.01882	2.1
70.87888	1.3
71.01387	2.6
73.02954	0.8
79.95724	1.8
80.96506	1.5
83.01368	0.6
85.02938	1.5
95.95232	0.6
96.96009	55.5
101.02432	2.5
102.61542	0.5
109.02948	75.3
110.03268	2.6
113.02386	1.0
122.97588	0.8
130.20560	0.5
135.00870	3.9
142.75482	0.7
148.33591	0.6
150.97063	1.1
153.01930	48.9
154.02245	2.1
161.04515	1.0
164.75363	0.5
180.98038	0.7
186.03741	0.6
241.00188	1.7
280.41599	0.7
315.07471	100.0
316.07791	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	315.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99148	0.4
55.01886	0.5
59.01376	2.2
71.01370	2.3
71.49861	0.7
73.02935	0.8
75.21032	0.4
79.95742	1.6
80.96503	0.9
83.01378	0.9
85.02950	1.5
90.90976	0.5
94.28596	0.4
96.96006	66.4
101.02431	1.7
105.85860	0.4
109.02952	1.4
113.02341	0.5
122.97630	0.9
138.97064	1.1
150.97081	0.7
153.01956	1.6
153.15239	0.4
164.98593	0.5
180.98123	0.8
195.90303	0.4
198.99228	0.4
238.11450	0.4
241.00221	2.9
314.03793	0.4
315.07535	100.0
316.07825	6.2
321.15399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37725	0.9
59.01372	9.0
61.98827	100.0
67.26434	1.0
68.36951	1.0
71.01380	5.6
71.11845	1.8
71.12213	0.9
72.01691	1.0
72.99308	2.3
78.95856	1.1
85.02956	1.5
89.02419	1.3
95.01369	1.7
96.00898	2.1
96.95986	1.6
98.76371	1.0
101.02435	1.7
103.10077	1.1
108.02172	36.8
109.02951	46.6
109.03708	2.2
113.02478	1.7
115.00337	1.4
121.02937	3.0
134.04715	2.0
135.04497	2.3
136.04803	1.7
152.01149	25.5
153.01924	59.3
153.05571	2.4
154.05898	1.8
165.01947	1.3
172.97699	2.2
174.99153	1.1
182.32481	1.0
197.04552	1.8
198.04872	3.5
200.13914	2.3
217.00284	2.9
270.14746	1.1
304.40845	1.1
315.07242	40.0
315.16644	3.3
337.82153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01362	1.4
61.98833	1.3
70.90877	2.1
71.01376	2.7
73.02959	1.1
81.03448	1.1
85.02948	2.6
95.01427	1.0
101.02399	1.6
108.02167	100.0
109.02957	75.5
110.03277	3.3
113.02455	1.3
123.04533	1.4
133.01427	1.2
135.04506	3.6
137.04977	1.2
151.03989	2.7
152.01141	71.5
153.01929	89.5
154.02274	3.6
154.03531	0.9
157.09280	0.9
165.01900	2.1
187.91405	0.9
196.97031	0.8
254.88562	0.9
315.07193	94.5
316.07535	9.2
316.15274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72636	0.4
54.20039	0.4
58.00583	2.1
59.01363	1.4
61.98844	0.5
70.59686	0.8
70.60024	0.6
74.23214	0.4
83.05028	0.5
87.05623	0.9
97.06574	0.8
98.75648	0.4
99.08156	19.3
108.57887	0.5
111.08137	0.8
121.02926	0.5
127.07623	4.2
129.09218	21.8
130.09566	0.9
179.14217	0.5
183.13889	42.3
184.14249	2.7
195.13869	2.8
196.14075	0.5
202.79091	0.5
253.09334	1.1
277.21750	3.0
295.22754	8.0
296.23187	0.6
311.22305	0.6
313.23828	100.0
314.24173	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	314.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.6
61.98829	100.0
62.39873	1.0
71.01375	5.5
71.50097	1.1
72.01711	1.2
72.99305	1.9
73.02922	1.1
88.04015	1.0
89.02446	1.2
90.02748	1.1
94.15737	1.0
96.00896	2.5
96.96023	1.9
101.02422	1.6
108.02167	46.2
109.02950	42.9
109.03704	1.8
114.01930	1.6
114.05618	2.4
115.00353	1.9
121.02962	2.3
122.03253	1.4
129.10342	1.4
134.04692	2.1
135.04489	3.4
136.04837	1.9
144.02892	1.1
145.93913	1.0
151.04074	1.2
152.00006	1.6
152.01146	27.6
153.01927	52.1
153.05521	1.8
154.05814	1.5
172.97607	2.1
174.99213	1.3
197.04465	2.5
198.04930	5.7
200.13953	2.9
200.96977	1.5
209.04314	1.1
217.00233	5.4
226.64928	1.0
315.07217	44.8
315.16626	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	313.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
69.03431	2.7
71.01369	4.2
71.51344	1.2
75.18677	0.9
79.95727	4.4
80.96510	2.7
84.02122	1.3
85.05991	1.1
89.02417	1.6
92.70857	1.1
95.05028	3.4
96.96004	3.1
97.02926	1.6
97.06588	13.4
109.06576	2.7
121.02961	15.3
121.10191	2.1
123.08105	1.3
125.06061	2.1
135.04526	2.2
137.09724	1.5
139.11282	1.2
140.15494	0.9
143.07126	7.8
149.09717	1.8
165.09213	9.3
183.10226	6.3
187.01830	1.0
192.85802	0.8
197.11806	28.8
198.12138	2.6
215.12897	10.2
216.13191	1.0
225.11285	1.9
253.09164	2.1
255.77036	1.1
263.16483	3.4
269.75601	1.1
299.01996	1.3
313.03845	1.2
313.07352	3.1
313.11172	9.5
313.20193	100.0
313.23370	4.1
314.11758	1.1
314.20541	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01368	2.3
61.98829	0.8
71.01384	1.0
72.64657	0.6
101.02388	0.6
121.02950	1.0
125.09669	0.7
126.94176	0.6
127.11295	1.0
135.04521	0.6
139.11333	0.7
155.10764	2.9
157.12331	1.0
171.10309	4.1
218.83044	0.6
225.17540	0.7
253.09264	1.3
295.22784	6.6
296.23129	1.1
313.23819	100.0
314.24139	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	313.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10219	0.4
55.01874	1.2
57.03429	0.5
59.01374	0.8
68.56763	0.4
70.01324	1.7
71.01381	21.2
73.02943	92.8
74.03283	1.7
75.74940	0.4
79.04128	0.4
82.35727	0.4
90.47754	0.5
96.65361	0.4
102.98582	0.9
108.48032	0.4
115.00371	18.9
117.01895	0.6
123.08124	0.7
133.01494	2.2
135.04527	1.6
157.08714	0.6
197.11821	100.0
198.12170	7.5
313.11063	0.8
313.16647	0.7
313.20261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
69.03431	2.7
71.01369	4.2
71.51344	1.2
75.18677	0.9
79.95727	4.4
80.96510	2.7
84.02122	1.3
85.05991	1.1
89.02417	1.6
92.70857	1.1
95.05028	3.4
96.96004	3.1
97.02926	1.6
97.06588	13.4
109.06576	2.7
121.02961	15.3
121.10191	2.1
123.08105	1.3
125.06061	2.1
135.04526	2.2
137.09724	1.5
139.11282	1.2
140.15494	0.9
143.07126	7.8
149.09717	1.8
165.09213	9.3
183.10226	6.3
187.01830	1.0
192.85802	0.8
197.11806	28.8
198.12138	2.6
215.12897	10.2
216.13191	1.0
225.11285	1.9
253.09164	2.1
255.77036	1.1
263.16483	3.4
269.75601	1.1
299.01996	1.3
313.03845	1.2
313.07352	3.1
313.11172	9.5
313.20193	100.0
313.23370	4.1
314.11758	1.1
314.20541	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	313.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
59.01376	1.2
60.65446	0.5
61.98789	0.5
71.01381	42.0
71.05019	27.2
71.05421	1.1
72.01736	0.8
72.05357	0.4
72.20100	0.5
72.99308	1.0
83.05025	1.9
104.03567	0.5
115.00376	17.3
119.89827	0.5
125.09705	0.9
133.01421	1.9
135.04526	2.0
137.02431	1.1
138.02777	1.2
151.11293	0.9
153.09230	0.6
153.12846	15.9
179.03419	0.5
197.11827	100.0
198.12172	6.3
251.12996	0.7
269.13931	6.1
275.60632	0.5
313.12778	1.7
313.16418	0.9
313.20306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65711	0.6
59.01372	2.1
60.42585	0.6
66.87399	0.7
71.01378	25.8
71.42755	1.2
72.01733	0.8
72.99346	0.6
73.02944	21.8
85.02948	1.3
85.98061	0.7
88.39369	0.7
93.07121	0.5
95.37619	0.6
100.71328	0.6
101.02427	2.3
108.02183	5.1
108.08230	1.0
109.02921	1.3
115.00369	12.8
115.07644	9.8
121.02929	0.7
133.01436	1.4
133.10254	1.0
135.04507	7.6
135.11804	7.1
146.93585	0.6
152.01140	9.0
153.09193	2.3
155.10765	9.4
156.08177	1.2
156.10313	1.2
158.11813	0.9
165.07439	0.7
179.03442	0.9
179.10748	8.4
183.08623	0.6
191.05475	0.7
197.11816	100.0
198.12192	6.0
199.09834	3.1
269.09213	2.5
296.19202	0.7
314.10001	2.1
314.19659	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65711	0.6
59.01372	2.1
60.42585	0.6
66.87399	0.7
71.01378	25.8
71.42755	1.2
72.01733	0.8
72.99346	0.6
73.02944	21.8
85.02948	1.3
85.98061	0.7
88.39369	0.7
93.07121	0.5
95.37619	0.6
100.71328	0.6
101.02427	2.3
108.02183	5.1
108.08230	1.0
109.02921	1.3
115.00369	12.8
115.07644	9.8
121.02929	0.7
133.01436	1.4
133.10254	1.0
135.04507	7.6
135.11804	7.1
146.93585	0.6
152.01140	9.0
153.09193	2.3
155.10765	9.4
156.08177	1.2
156.10313	1.2
158.11813	0.9
165.07439	0.7
179.03442	0.9
179.10748	8.4
183.08623	0.6
191.05475	0.7
197.11816	100.0
198.12192	6.0
199.09834	3.1
269.09213	2.5
296.19202	0.7
314.10001	2.1
314.19659	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40359	0.7
51.59494	0.7
59.01370	4.8
71.01379	37.7
71.05022	3.1
73.02943	1.6
73.66460	0.8
83.02486	0.7
83.05024	0.9
89.02428	1.1
96.96016	1.2
101.02439	0.8
108.02143	1.2
109.02946	1.7
111.04499	1.0
113.02380	0.8
115.00371	21.6
133.01447	9.8
134.03688	3.2
135.04536	5.7
153.09204	100.0
153.12781	2.5
154.09572	4.7
155.10779	1.0
179.03386	1.0
183.10364	1.0
183.85663	0.8
191.05563	1.3
197.08180	45.5
197.11778	8.0
198.08485	2.9
269.08640	0.8
313.12451	1.4
314.19977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0715
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
56.18097	0.4
57.61603	0.4
59.01374	3.2
61.98814	0.5
63.02398	5.3
65.00311	2.7
69.39706	0.4
71.01411	0.6
93.81977	0.4
96.68261	0.4
97.53210	0.5
102.13300	0.5
107.01413	3.3
110.01572	0.5
113.17940	0.5
115.00307	0.5
119.01394	0.7
119.05025	1.7
120.26829	0.5
121.02950	2.0
125.02561	0.8
132.22398	0.5
143.05032	4.2
145.02946	2.3
147.00887	1.2
151.00351	1.2
160.53880	0.5
163.50540	0.5
165.07082	1.0
165.97166	0.5
167.04965	0.6
180.05783	0.8
181.06598	1.1
185.06090	1.4
197.06102	4.2
207.63487	0.6
209.06073	5.4
211.04018	0.8
225.05533	1.5
253.05037	100.0
254.05367	8.2
261.22684	0.6
271.06094	7.7
272.06558	0.8
297.89587	0.5
313.07153	42.0
313.23706	3.2
314.07565	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01382	0.8
61.98826	0.5
69.29940	2.3
71.01392	0.3
98.19781	0.3
108.02134	0.3
121.02952	100.0
122.03286	4.0
133.79338	0.3
135.04500	0.4
147.43625	0.3
180.05807	0.9
181.06593	4.4
201.01736	0.3
225.05576	6.9
226.05959	0.5
253.09335	0.6
269.08340	0.4
271.02142	0.3
298.69586	0.4
313.07169	17.4
313.19949	0.7
313.23688	0.7
314.07581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40359	0.7
51.59494	0.7
59.01370	4.8
71.01379	37.7
71.05022	3.1
73.02943	1.6
73.66460	0.8
83.02486	0.7
83.05024	0.9
89.02428	1.1
96.96016	1.2
101.02439	0.8
108.02143	1.2
109.02946	1.7
111.04499	1.0
113.02380	0.8
115.00371	21.6
133.01447	9.8
134.03688	3.2
135.04536	5.7
153.09204	100.0
153.12781	2.5
154.09572	4.7
155.10779	1.0
179.03386	1.0
183.10364	1.0
183.85663	0.8
191.05563	1.3
197.08180	45.5
197.11778	8.0
198.08485	2.9
269.08640	0.8
313.12451	1.4
314.19977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33494	0.6
54.30688	0.6
55.01856	0.6
55.80310	0.6
58.44646	0.5
59.01374	1.5
71.01378	21.9
71.49747	0.7
78.01108	0.8
83.01423	0.8
85.48046	0.6
86.35365	0.6
89.00330	1.8
91.01900	1.2
95.01367	1.1
101.02485	0.8
106.00612	2.7
107.05030	1.0
111.00893	1.0
115.00376	13.2
116.00673	0.7
121.02951	48.0
122.03258	1.4
123.00866	2.3
133.01407	3.9
135.04559	4.0
138.03188	1.8
139.00346	0.7
151.04005	1.7
153.05571	31.5
154.05907	1.1
166.99884	1.6
179.03505	0.9
182.02187	4.8
197.04543	100.0
198.04895	4.6
269.07739	0.7
298.97540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75184	0.7
69.53361	5.2
71.01379	19.4
89.00323	3.0
91.01875	1.0
106.00597	3.3
110.30613	0.7
115.00370	11.2
121.02953	47.6
122.03278	1.5
123.00874	3.0
135.04498	1.8
138.03255	3.6
147.29202	0.7
153.05565	34.6
154.05919	1.6
154.69717	0.7
166.99799	1.7
173.69099	0.7
179.03488	0.9
182.02209	6.0
197.04532	100.0
198.04903	3.7
264.45160	0.8
266.84137	0.9
290.07953	0.8
328.36285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01471	0.4
59.01373	1.3
61.98816	1.2
69.63161	0.8
69.63573	1.5
71.01375	7.5
72.99323	0.5
87.00861	0.4
89.02505	0.5
96.96091	0.4
106.41394	0.5
109.02950	1.2
115.00369	9.3
121.02961	1.9
123.04524	2.0
129.87381	0.5
133.01430	16.9
134.03719	1.0
135.04518	100.0
136.04855	4.7
137.02394	0.6
153.05577	12.2
154.05890	0.4
167.03506	1.8
179.03500	1.5
197.04533	12.4
198.04802	0.7
293.90344	0.4
294.85666	0.5
313.05634	0.6
317.39532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.9
69.92955	1.9
71.01014	0.9
71.01379	11.6
72.99303	2.6
73.02943	1.6
75.35833	0.5
76.06127	0.6
85.02944	1.0
89.02462	2.7
96.00905	0.9
101.02443	2.4
109.02963	1.4
115.00360	11.8
119.03460	0.7
121.02937	0.6
123.04501	1.7
127.23261	0.7
131.01932	0.7
133.01416	22.4
133.05066	2.3
134.01811	0.6
134.03726	1.3
135.04515	100.0
136.04858	4.1
137.02397	0.8
141.00430	1.5
145.01416	1.6
151.06145	0.6
153.05580	7.7
158.99651	1.2
167.03506	1.3
169.03493	0.6
171.05141	3.4
172.99376	1.1
179.03499	2.0
184.99409	1.9
187.04590	1.9
197.02975	1.4
197.04536	8.1
200.97162	0.9
215.00520	1.1
215.04102	1.9
251.00381	0.7
253.09265	0.9
313.00433	5.4
313.11340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.8
60.01706	1.8
71.01377	76.2
71.05016	40.6
71.05411	1.6
71.51983	1.7
72.99307	4.0
74.02472	1.3
83.05011	1.6
103.99933	1.3
106.06614	8.3
108.02183	1.4
108.08185	70.0
109.02348	1.5
109.02956	17.8
109.08513	3.2
110.03284	10.0
115.00360	46.2
121.02975	2.1
122.06116	2.6
123.04517	1.8
125.09701	3.4
133.01416	30.2
134.03734	34.1
135.04002	34.8
136.01671	11.8
136.04916	6.7
137.02074	6.4
138.02817	6.4
148.04045	4.1
150.05615	3.6
151.03970	9.4
152.04405	9.6
152.07166	43.3
153.09221	27.0
153.11676	1.8
153.12840	26.0
179.03378	2.2
194.04584	4.9
195.02943	2.6
196.03247	4.0
196.06133	78.6
197.04062	1.2
197.06462	3.9
197.08160	21.5
197.11813	100.0
225.14882	1.5
232.10522	5.4
234.08641	1.7
243.92845	1.3
251.12851	1.4
269.13901	1.5
294.10553	5.1
312.11661	11.4
313.08224	1.5
313.11835	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	312.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.8
60.01706	1.8
71.01377	76.2
71.05016	40.6
71.05411	1.6
71.51983	1.7
72.99307	4.0
74.02472	1.3
83.05011	1.6
103.99933	1.3
106.06614	8.3
108.02183	1.4
108.08185	70.0
109.02348	1.5
109.02956	17.8
109.08513	3.2
110.03284	10.0
115.00360	46.2
121.02975	2.1
122.06116	2.6
123.04517	1.8
125.09701	3.4
133.01416	30.2
134.03734	34.1
135.04002	34.8
136.01671	11.8
136.04916	6.7
137.02074	6.4
138.02817	6.4
148.04045	4.1
150.05615	3.6
151.03970	9.4
152.04405	9.6
152.07166	43.3
153.09221	27.0
153.11676	1.8
153.12840	26.0
179.03378	2.2
194.04584	4.9
195.02943	2.6
196.03247	4.0
196.06133	78.6
197.04062	1.2
197.06462	3.9
197.08160	21.5
197.11813	100.0
225.14882	1.5
232.10522	5.4
234.08641	1.7
243.92845	1.3
251.12851	1.4
269.13901	1.5
294.10553	5.1
312.11661	11.4
313.08224	1.5
313.11835	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01364	0.9
71.78806	0.3
88.64848	0.3
97.06567	0.4
99.08138	0.4
113.09734	1.3
115.07639	1.1
127.07630	0.6
128.08440	0.9
128.47729	0.3
146.44832	0.3
167.14395	3.7
183.13866	2.8
184.14229	0.4
195.13885	10.7
196.14240	0.5
201.71951	0.3
211.13382	1.2
213.14938	1.4
215.28601	0.3
241.14542	0.3
242.15163	1.1
249.22227	0.4
265.21683	0.5
267.23218	0.5
275.20172	0.4
283.22693	0.5
293.21198	7.9
294.21414	0.9
311.22247	100.0
312.22595	10.9
322.56165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01376	3.0
61.98820	0.5
70.47300	0.4
71.01379	0.5
86.36278	0.3
97.06565	0.8
123.08167	0.7
125.06060	0.9
125.09727	3.3
133.18622	0.3
137.35048	0.4
139.11273	1.1
141.09233	2.1
141.12845	1.1
143.10811	0.5
152.74507	0.4
153.09177	1.4
155.14404	1.7
157.12344	0.9
169.08743	0.3
169.12343	0.6
171.10266	2.3
181.15933	0.5
183.01241	0.4
183.13919	0.5
185.11858	0.8
199.09694	0.8
200.10535	2.6
206.28917	0.4
249.22160	2.9
265.21655	1.0
267.23257	1.1
275.20209	0.6
283.22717	0.5
293.21210	7.2
294.21478	0.8
311.22253	100.0
312.22598	10.6
324.52777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63488	0.7
57.03429	2.0
59.01369	2.1
70.36150	2.5
80.32490	0.8
83.05044	0.7
99.08157	2.0
113.09711	2.7
121.10240	0.8
127.11266	1.7
127.36067	0.7
129.09204	4.4
136.18660	0.6
136.41760	0.7
139.11272	4.9
151.11238	1.0
153.12761	1.0
155.10715	1.0
163.11287	0.8
165.12767	1.4
167.10683	1.1
167.14426	1.0
169.12268	2.2
171.10249	16.7
180.74998	0.7
181.12218	3.2
183.13876	1.6
185.11823	3.2
193.12329	3.2
197.11838	7.6
199.13425	4.0
201.11351	2.0
209.11682	1.0
211.13371	14.0
212.13812	1.0
227.54823	0.8
265.21664	1.0
275.20074	2.5
276.20480	0.9
293.21198	19.9
294.21509	1.6
311.22235	100.0
312.22614	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
59.01363	2.0
69.03445	0.9
69.58086	0.9
75.22308	0.9
79.49173	1.1
99.08159	1.3
113.09741	1.6
125.09765	1.7
127.11263	4.3
129.09195	1.4
131.43124	1.4
137.09755	1.3
139.07582	1.0
139.11296	8.2
155.10757	2.5
171.10257	45.2
172.10631	2.1
181.12375	1.2
183.10225	1.9
185.11815	6.8
197.11813	3.0
199.13402	1.5
201.11336	7.8
211.13414	5.5
265.21838	1.0
275.20071	3.2
291.14792	1.2
293.21173	12.2
294.21338	1.0
311.22269	100.0
312.22610	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01366	2.1
62.71690	0.5
70.18707	0.5
70.69290	1.2
72.22014	0.6
87.94675	0.6
93.28343	0.6
111.04722	0.6
113.09705	2.2
121.10223	1.1
125.09663	0.7
137.09802	0.6
139.11278	4.4
142.39200	0.7
153.09190	0.6
164.16409	0.7
171.10268	8.2
177.12808	2.5
181.12349	0.9
183.13899	0.8
185.11816	1.1
195.13892	2.5
196.14534	1.0
211.13371	1.9
226.84706	0.6
243.65260	0.6
249.22180	2.3
258.19376	0.6
275.20120	0.9
281.47385	0.6
293.21210	51.5
294.21475	5.4
311.22244	100.0
312.22620	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15472	0.6
57.03439	1.5
58.26587	0.6
59.01385	3.4
65.68761	0.8
70.69785	1.7
71.01379	0.8
80.10940	0.7
83.05009	0.8
109.12598	0.6
113.09821	1.0
121.10218	1.6
123.08176	1.1
125.09735	2.8
126.10007	0.7
127.11285	5.2
137.09709	1.1
139.11285	10.6
141.12842	1.2
155.10791	2.8
165.09302	1.0
167.10793	1.3
171.10254	50.1
172.10608	2.1
183.01289	1.0
183.10233	5.6
185.11826	21.3
186.12152	1.0
200.10469	1.9
201.11292	7.0
249.86311	0.7
275.20251	3.7
293.21204	26.1
294.21545	2.6
311.22220	100.0
312.22601	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	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01704	1.2
61.98831	1.6
70.90507	1.3
71.01376	10.8
73.02937	4.4
83.01376	1.4
85.02944	3.7
89.02460	1.8
95.01344	1.1
99.00907	1.2
101.02430	10.6
109.02925	1.5
113.02421	5.1
118.96494	0.7
133.02980	1.2
135.04593	0.9
135.60811	0.7
151.04010	1.1
154.97635	0.8
159.02959	1.4
161.04541	11.4
161.05884	1.1
164.04250	1.0
180.06693	1.0
181.07071	1.7
189.05556	2.6
235.64211	0.8
251.11337	30.0
252.11768	1.8
256.92245	0.8
267.79025	0.8
311.13177	1.4
324.29520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	7.2
59.01376	2.9
69.04323	0.6
70.69362	1.4
70.69697	0.7
71.01373	0.9
73.02927	1.3
77.83588	0.5
79.92444	0.6
94.80177	0.6
97.02983	0.6
99.08099	0.8
109.06579	1.1
114.14408	0.6
125.09695	1.4
127.07675	5.5
127.11262	2.0
129.09258	0.9
141.01784	0.6
155.10770	1.0
165.09244	1.3
165.28314	0.6
171.10208	2.0
183.13885	20.0
184.14209	1.5
195.13878	1.1
197.11807	1.7
199.09882	0.8
199.13467	1.0
201.11305	9.7
211.13391	2.4
213.14977	6.8
223.13396	2.5
241.14476	4.5
251.11287	0.7
256.04123	0.7
275.20117	1.8
290.40152	0.8
293.21143	9.1
294.21335	0.9
311.22253	100.0
312.22571	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	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
59.01376	100.0
60.01710	1.5
66.52059	0.7
69.77804	0.6
71.01381	6.0
71.27402	1.4
73.02943	2.2
85.02959	2.7
90.21462	0.6
96.80753	0.7
101.02436	3.9
113.02470	2.4
114.00532	0.7
134.03729	6.2
135.04509	1.9
136.01656	3.6
151.45389	0.7
160.73450	0.7
161.04581	3.0
195.10287	1.5
209.71614	0.7
269.10260	3.3
311.11426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	1.5
61.98840	1.4
69.54792	3.8
71.01380	10.1
73.02933	3.8
74.02516	0.7
83.01376	1.1
85.02946	3.9
89.02454	2.4
98.19941	1.3
99.00896	1.6
101.02442	9.9
109.02956	2.3
113.02422	5.0
133.01472	1.0
133.02913	1.0
148.59154	0.8
151.04028	1.1
159.02954	1.5
161.04550	11.0
171.04448	0.9
180.06628	1.0
189.05611	3.2
251.11349	25.6
252.11740	1.3
311.07794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01736	1.1
71.01388	1.6
71.04031	0.7
71.04343	0.6
73.02928	0.7
80.44182	0.6
85.02953	1.0
101.02454	1.6
133.02934	0.7
161.04599	1.0
171.04532	0.6
177.87465	0.6
181.06998	0.9
189.05522	1.1
240.38802	0.7
251.11449	3.1
270.35001	0.6
311.08063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21653	0.6
53.51567	0.5
59.01375	100.0
60.01704	0.8
61.98845	0.7
69.38216	0.5
71.01383	4.9
72.99312	0.8
73.02951	1.2
85.01491	0.6
85.02975	0.9
85.68983	0.6
85.85739	0.5
85.94183	0.5
96.96020	0.8
99.00887	0.7
101.02460	2.4
107.06887	0.5
109.02979	1.1
110.26659	0.5
113.02456	1.4
115.00380	1.2
117.99284	0.5
120.99676	2.2
124.04044	0.9
127.88956	0.5
133.01463	1.4
133.02968	1.5
134.03761	4.7
135.04518	1.8
136.01685	2.0
137.02443	0.8
138.47363	0.5
145.06606	0.8
151.03964	0.7
151.05954	0.7
155.37749	0.7
161.04591	1.7
164.96654	0.5
176.04745	2.5
177.09238	1.7
187.07681	1.4
195.03017	0.7
202.06467	0.6
205.08661	3.0
211.07658	0.5
231.10292	4.1
233.08226	2.4
239.06747	0.5
249.11301	3.9
254.90440	0.6
267.06775	0.9
269.10312	1.7
293.10364	1.2
311.05670	1.9
311.11453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Triandrin
Peak:m/z	Relative Intensity
55.01875	0.5
57.03468	0.5
59.01377	100.0
60.01705	1.5
67.00311	0.4
69.36523	1.7
69.36949	1.2
71.01385	7.5
72.99332	0.7
73.02934	2.0
83.01388	0.9
85.02939	3.2
96.96025	1.1
97.06578	0.6
101.02438	4.2
113.02461	2.0
115.00378	0.7
120.99671	2.4
129.01926	0.4
133.01440	0.5
133.02995	0.5
134.03735	14.2
135.04544	2.8
136.01656	7.7
137.02464	1.5
145.06635	0.6
149.06055	0.5
151.11296	0.4
159.03079	0.5
161.04547	3.6
176.04816	0.9
177.09200	0.5
195.10252	2.1
205.08719	1.0
231.10237	3.5
232.10591	0.5
233.08279	1.8
237.96133	0.4
249.11322	1.2
267.12155	0.4
269.10370	2.8
282.84293	0.4
293.10370	1.1
311.11383	5.5
312.11679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33928	0.4
61.30844	0.4
61.51926	0.4
69.55312	2.6
71.01369	0.6
72.00908	10.9
74.02470	8.0
74.02862	0.7
77.40141	0.4
83.04992	0.5
85.52936	0.4
93.03455	22.4
94.03829	0.7
98.20682	0.4
106.04249	3.4
107.05025	2.3
111.04509	1.3
119.05021	16.2
120.05305	0.9
129.05580	9.5
132.55334	0.4
133.02959	2.7
134.06155	0.9
136.07677	1.7
149.81041	0.4
163.04004	12.4
164.04379	0.6
180.06651	100.0
181.07002	5.4
195.02989	1.6
276.45953	0.5
310.12939	28.0
311.13150	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	310.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83539	0.6
59.01376	29.9
59.24695	0.7
60.81918	0.7
61.98855	0.9
69.36384	2.0
69.36804	2.5
69.78469	0.7
71.01379	14.1
72.00890	1.2
72.99306	1.2
73.02927	1.1
74.02477	1.5
75.00903	0.7
84.31528	0.7
85.02946	1.6
89.02441	18.4
93.03453	2.4
101.02439	4.1
113.02473	4.5
119.03506	3.1
119.05054	2.3
130.08733	100.0
131.09052	4.1
131.66460	0.7
143.03505	1.5
148.06268	3.5
149.04599	1.1
149.21819	0.7
161.04608	1.3
163.04140	0.7
179.05600	4.5
180.06648	7.0
181.06972	2.1
189.05620	1.4
249.13521	0.8
250.02492	1.4
251.11356	1.4
310.15359	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	310.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60332	1.4
53.82093	1.6
58.00596	1.9
59.01375	51.0
69.20296	14.6
71.01378	31.9
72.00886	1.6
72.19539	1.6
72.99294	3.9
73.02953	3.0
75.00858	1.6
83.01376	2.0
83.54951	1.4
85.02951	6.7
87.00864	3.5
89.02430	28.6
91.28841	1.4
92.05042	5.0
93.03435	3.4
95.01404	2.5
100.03371	1.5
101.02422	16.5
110.56556	1.5
113.02460	12.5
115.00346	1.5
118.02981	4.7
119.03491	11.2
119.05009	3.7
120.04536	6.7
128.05107	1.6
129.05582	2.2
131.03641	7.7
132.04527	10.0
133.02913	3.0
134.06111	2.5
144.04543	10.1
146.02466	50.3
146.06096	2.4
147.03249	61.6
148.04051	17.1
160.04024	73.9
161.04434	6.3
163.04010	2.0
172.04004	5.9
173.04666	1.5
174.05586	13.9
179.02226	9.5
179.05653	4.1
180.06648	15.7
186.05609	4.2
194.05334	2.2
195.03014	1.7
202.05058	26.9
203.05415	1.5
214.05141	7.2
232.06134	4.0
257.36813	1.8
310.09317	100.0
310.12866	8.2
311.09744	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	310.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72842	1.9
58.00599	3.1
58.30735	2.3
59.01372	59.3
61.98830	3.9
69.68951	10.6
70.88763	1.8
71.01382	35.7
72.00893	5.7
72.99307	6.8
73.02962	3.9
74.02459	7.3
75.00852	3.5
78.89974	2.1
85.02947	7.2
85.31545	2.1
87.00864	3.4
89.02437	32.8
92.05078	5.6
93.03460	19.5
93.84513	2.1
101.02447	17.0
106.04215	3.4
107.05077	2.8
111.04538	3.3
113.01744	2.0
113.02431	12.9
114.33353	2.2
115.00349	5.8
118.02965	3.7
119.03528	12.0
119.04999	13.6
120.04527	8.6
129.05556	6.1
131.03702	6.1
132.04541	10.2
132.05763	5.1
133.01410	2.9
133.02942	5.6
134.03734	5.1
135.04097	3.9
144.04543	6.4
145.83856	2.0
146.02467	61.1
146.06129	3.5
147.03264	54.7
148.04085	15.0
151.48883	2.1
158.06125	2.9
160.04028	76.4
161.04428	4.7
162.05582	2.4
163.03961	9.2
164.04750	2.9
172.03986	8.5
174.05560	14.1
179.02229	10.4
179.05566	2.5
180.06647	72.9
181.07039	4.9
182.07175	2.2
187.11259	3.2
189.05542	3.2
193.05022	5.8
194.05380	5.0
195.02974	4.4
202.05060	25.2
203.10690	3.1
205.08638	2.4
214.05058	8.2
231.10237	6.4
232.06093	5.6
248.13011	2.6
249.11093	3.3
255.35999	2.2
293.10391	3.4
310.09268	100.0
310.12939	43.3
311.09500	8.0
311.13016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46049	1.1
57.03437	2.0
59.01368	5.5
66.69743	1.2
69.03429	1.8
71.05012	4.5
83.05000	1.3
95.26577	1.1
97.06554	2.1
101.05943	1.1
111.08121	1.5
121.10209	3.6
125.09698	3.2
170.63446	1.1
171.10217	1.8
185.11819	4.7
195.13916	11.2
197.11728	1.7
207.13936	4.0
207.17516	5.0
209.11794	1.8
211.13383	25.6
221.15492	2.8
223.17023	19.2
224.17383	2.1
231.68968	1.1
233.15448	16.3
235.16971	2.0
251.16496	91.8
252.16931	7.9
273.18521	3.2
287.18747	1.3
291.19656	45.3
292.20038	7.0
309.20679	100.0
310.21008	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82810	1.5
70.83168	1.1
95.05094	0.7
97.06575	2.3
106.09042	0.7
111.08082	0.8
113.09721	2.0
115.07644	1.6
126.06876	1.6
137.09669	1.2
139.11307	1.3
141.09250	1.8
147.35791	0.9
149.09778	0.8
151.11269	0.9
154.09935	0.8
165.12874	3.8
167.10823	1.2
167.14415	2.4
171.10289	2.0
175.67564	0.7
181.01343	0.7
181.12337	4.2
183.13879	1.5
193.12341	2.2
195.13928	2.0
207.17555	0.8
211.13371	5.3
213.14944	1.0
221.15427	1.7
236.51956	0.8
240.13640	2.2
241.14410	0.9
247.20705	4.2
273.18613	1.9
281.21109	2.2
291.19653	43.8
292.19925	4.4
293.56522	0.7
309.20694	100.0
310.21063	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	310.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97322	1.8
58.00551	2.1
58.97886	1.5
59.01377	55.0
61.98826	1.9
69.19131	13.4
71.01381	36.4
72.00903	7.1
72.99277	4.9
73.02927	3.5
74.02460	3.8
85.02950	9.1
87.00861	4.0
89.02439	25.9
92.05038	5.2
93.03444	12.1
95.01395	3.1
97.02939	1.8
101.02437	17.1
106.04238	2.0
109.02941	6.9
113.02428	10.3
115.00379	4.1
116.05061	2.2
118.02979	2.9
119.03513	10.3
119.05012	9.9
120.04520	5.4
129.05525	5.4
131.03633	5.8
132.04558	10.3
133.01431	3.5
133.02901	3.6
134.03714	4.7
134.06071	3.4
135.04454	3.3
144.04567	7.7
146.02466	65.0
146.06055	1.7
147.03264	52.4
148.04080	13.7
149.04387	2.2
149.06064	4.8
151.03976	1.9
152.71623	1.6
158.06030	2.7
160.04024	85.9
161.04411	4.7
163.03998	7.6
172.04060	5.7
174.05585	10.0
177.05550	16.4
179.02174	10.6
179.05527	2.4
180.06653	57.3
181.06937	4.4
185.63077	1.6
186.05571	4.7
187.11226	2.3
189.05563	3.9
193.04980	2.7
194.05290	2.2
195.02942	2.6
196.03941	1.9
202.05057	27.6
203.05461	1.8
204.06548	2.1
214.05072	6.3
221.04469	6.7
249.11159	1.9
267.08707	2.2
274.07437	2.0
310.09250	100.0
310.12915	30.9
311.09674	8.2
311.12738	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42213	1.8
56.85104	1.4
57.03442	1.8
59.01374	2.4
69.03443	4.7
71.42941	2.5
74.68946	1.7
96.99285	1.6
97.02949	20.2
109.06589	2.8
111.08155	34.3
119.08709	2.4
125.09718	2.5
137.09738	4.4
163.11264	2.0
165.12801	7.6
169.12306	9.4
171.10297	9.1
181.12288	2.6
183.13879	3.1
193.12373	2.5
197.11824	100.0
198.12141	5.2
199.13330	2.8
209.11617	4.1
209.15463	4.3
211.13315	10.3
227.12991	7.8
247.20660	6.2
263.20084	5.0
273.18588	5.3
291.19638	76.1
292.20053	6.6
309.20691	83.8
310.20963	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41297	1.0
62.96296	0.9
66.32578	1.1
69.03455	1.4
71.50968	1.3
73.02912	1.0
83.05048	1.0
95.76881	0.8
111.07391	1.4
111.08150	26.3
127.07648	3.0
151.11314	1.3
153.12881	0.9
169.12300	7.0
171.10205	1.5
181.12288	2.4
183.13779	1.7
197.11810	100.0
198.12143	6.2
199.13354	4.2
211.13385	9.6
222.68236	1.1
227.13002	2.3
263.20032	7.5
265.18027	2.6
273.18549	1.5
291.19641	17.8
292.19971	1.2
309.20676	41.5
310.21033	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01367	1.6
59.54153	0.5
61.30895	0.5
69.33539	1.6
69.33963	2.7
71.04996	0.7
83.05034	0.9
95.44703	0.5
96.96045	0.8
97.06576	0.6
109.06635	0.6
111.08149	3.2
123.08150	0.5
125.09702	1.5
127.11267	1.5
134.46120	0.6
137.09729	0.9
151.07635	0.9
151.11270	1.3
153.09142	0.7
153.12845	4.9
154.04495	0.6
155.10779	1.4
165.12764	0.7
167.10747	1.6
169.12360	1.0
171.10202	1.2
179.10661	0.8
179.14400	1.7
181.12389	3.3
183.13786	0.6
193.15962	1.2
197.11871	4.0
199.13387	1.2
200.10489	0.9
207.13829	1.6
209.15408	1.6
210.81837	0.5
227.12938	1.1
228.13545	1.2
247.20644	5.5
248.20848	0.7
263.20334	0.8
265.21707	1.3
273.18671	2.2
281.21259	1.9
291.16293	1.1
291.19635	34.2
292.19980	4.0
309.20673	100.0
310.17502	0.9
310.21017	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04371	0.9
57.03453	2.4
59.01357	1.3
67.01891	0.9
69.03458	4.4
69.22353	7.1
73.12252	0.8
81.03436	1.2
83.05025	2.0
84.02175	0.9
85.02939	3.5
95.82500	0.8
97.02946	42.7
98.20638	1.4
101.20591	0.7
107.05017	0.9
111.08160	1.1
125.09699	1.8
137.09749	11.5
138.10013	1.1
151.11267	1.5
153.09343	1.0
171.10254	18.2
172.10576	1.0
177.12775	1.3
185.11746	1.4
193.12357	1.1
195.13890	3.4
211.13367	2.3
221.11740	2.9
221.15370	2.1
233.15422	1.0
239.12752	4.4
240.13484	1.2
247.20595	2.3
251.16446	3.1
273.18466	2.3
291.19644	41.5
292.20001	5.1
309.20688	100.0
310.21042	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97377	0.9
57.03439	3.0
58.71040	0.8
59.01376	1.6
69.03458	1.3
70.36646	1.6
70.37071	2.5
71.05031	1.3
80.02674	1.2
83.05029	1.5
93.03418	1.0
96.57442	0.8
97.02947	3.3
97.06579	1.8
98.03800	0.8
99.00864	2.7
104.59252	0.7
109.06564	1.0
111.08139	4.4
119.08663	1.8
121.10196	0.9
121.23130	0.8
123.08112	1.1
125.09691	2.0
137.09695	3.9
151.04001	7.4
151.07623	10.6
152.08429	14.8
153.12883	1.0
163.11249	4.8
165.09157	1.1
165.12825	6.8
169.12296	1.0
171.10265	6.5
177.12680	1.0
179.14397	2.6
181.12289	4.4
183.13977	1.0
184.07359	3.7
185.11838	1.3
190.09991	1.4
193.08707	2.0
193.15910	1.7
195.13998	1.4
197.11794	13.9
208.11047	1.6
208.77461	0.9
209.12004	0.9
209.15437	21.7
210.15727	2.3
211.13387	2.7
217.15958	1.1
221.15332	1.0
222.99971	0.8
223.13368	3.8
247.20625	5.6
251.16408	1.6
252.10017	4.2
263.19986	1.5
265.17966	4.6
266.51025	0.9
273.18588	2.9
283.99008	0.9
291.19626	83.5
292.19977	8.7
309.17038	39.7
309.20691	100.0
310.17422	3.6
310.21054	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	309.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46587	0.8
59.01382	1.7
67.51743	0.7
69.98652	3.2
72.00903	10.4
74.02460	7.9
91.64798	0.7
93.03448	12.6
106.04254	4.4
107.05040	2.0
108.02122	1.0
119.05014	9.0
121.06583	1.0
128.07176	3.5
132.05798	13.0
133.06512	0.8
136.07701	1.2
161.09680	5.4
163.04013	8.7
164.04807	5.0
174.10477	1.0
176.10619	0.9
178.12364	2.5
180.06648	64.3
181.07005	3.3
187.11284	13.2
202.12349	3.5
204.13947	7.2
206.09470	1.2
206.32494	0.8
216.22250	0.8
219.15010	1.0
222.11311	1.8
231.10283	1.7
234.11430	1.3
248.12901	15.1
263.14053	4.5
265.15417	1.7
309.14529	100.0
310.14957	8.5
316.57144	0.8
328.28922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03451	20.5
59.01352	18.6
69.03449	4.7
69.42017	8.6
69.42419	15.4
71.01363	10.8
80.02687	3.6
83.05024	6.9
95.05040	5.8
96.95992	6.7
97.06585	9.2
98.20621	7.9
99.00849	3.9
111.08170	9.1
113.09724	11.4
139.11290	4.3
151.04059	4.7
151.07640	15.6
151.11287	39.6
152.08340	8.5
153.12843	4.2
163.11290	8.3
165.12830	44.6
171.10199	4.5
179.10736	7.6
181.12308	54.9
184.07472	3.4
191.10760	16.5
191.65201	3.3
197.11763	6.0
209.11816	100.0
209.15453	15.7
211.13341	9.1
219.57170	4.1
247.20511	10.2
263.20074	7.7
291.19681	32.3
309.15131	19.8
309.17203	20.0
309.20694	44.9
310.20877	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	309.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.7
61.98817	0.7
63.13959	0.5
64.45790	0.6
70.99288	1.2
71.01380	28.1
72.99300	0.8
89.03975	1.6
93.03468	0.6
100.87652	0.6
101.02470	1.1
105.62495	0.7
106.06631	1.1
115.00373	10.1
117.03474	6.8
119.05022	2.3
126.66702	0.6
133.01436	3.5
133.02940	0.7
134.03738	85.0
135.03975	3.2
137.02434	2.4
149.06087	7.1
150.05585	1.6
156.21281	0.6
178.02693	5.9
179.03217	0.6
181.70769	0.7
193.05048	100.0
194.05550	5.5
214.50810	0.6
306.80310	0.6
309.10144	1.1
309.14435	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.7
61.98817	0.7
63.13959	0.5
64.45790	0.6
70.99288	1.2
71.01380	28.1
72.99300	0.8
89.03975	1.6
93.03468	0.6
100.87652	0.6
101.02470	1.1
105.62495	0.7
106.06631	1.1
115.00373	10.1
117.03474	6.8
119.05022	2.3
126.66702	0.6
133.01436	3.5
133.02940	0.7
134.03738	85.0
135.03975	3.2
137.02434	2.4
149.06087	7.1
150.05585	1.6
156.21281	0.6
178.02693	5.9
179.03217	0.6
181.70769	0.7
193.05048	100.0
194.05550	5.5
214.50810	0.6
306.80310	0.6
309.10144	1.1
309.14435	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07030	1.8
59.01383	14.1
61.41560	1.6
68.63424	1.7
69.96150	9.4
71.01379	18.5
72.00919	12.4
72.17520	1.9
72.99345	2.8
73.02943	38.3
73.03364	2.1
74.02473	11.4
75.00891	3.1
85.02941	3.8
87.00884	2.5
88.19794	1.9
89.02449	5.1
93.03466	21.4
96.96027	7.4
99.00893	5.5
101.02457	5.3
103.47583	1.9
106.04269	6.1
107.05069	2.3
113.02441	3.8
115.00385	7.9
117.01104	4.0
117.01941	85.9
119.05011	12.6
128.07178	3.9
129.01848	2.0
129.05603	3.6
132.05836	5.8
133.01404	9.1
134.91676	2.5
135.04570	2.9
135.73811	1.8
149.02448	3.9
159.02994	1.9
159.66508	1.7
161.09689	4.3
163.03993	14.9
164.04787	3.0
166.48540	2.2
174.73132	2.1
178.12485	2.2
180.06656	100.0
181.07037	7.2
187.11290	8.4
188.52338	1.7
203.07233	3.0
204.13950	6.0
248.12901	10.5
263.13953	4.3
309.11813	6.5
309.14658	65.1
309.18076	3.8
310.12622	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	308.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95082	0.8
59.01369	4.1
61.98829	100.0
62.17912	0.9
70.26584	3.1
71.01380	6.4
82.96136	1.1
94.79323	0.9
96.96001	1.8
115.00381	1.7
117.58782	0.9
133.01418	2.1
135.02785	1.1
135.04462	1.3
138.09552	1.0
159.04385	1.9
160.04829	2.9
164.04289	0.9
174.03163	1.5
174.06453	2.1
179.01740	1.6
187.07613	3.5
188.04308	1.5
188.07980	12.7
193.08681	1.5
200.04573	1.1
202.06046	3.7
203.06697	4.9
213.09236	1.2
214.09517	2.0
231.10287	1.8
232.10597	10.5
235.09541	1.0
264.05991	0.9
264.13132	7.5
276.09528	6.6
277.09692	1.0
303.57755	0.9
308.12347	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.19175	0.7
59.98114	0.6
60.01705	1.1
61.98825	1.5
70.67986	0.6
70.72226	1.4
71.01385	7.3
72.00924	1.6
73.02911	0.7
74.02493	1.8
82.02995	0.9
85.02970	1.7
87.00863	0.6
88.98856	1.0
89.02451	2.8
93.03483	3.5
93.04027	0.6
95.01374	0.9
96.95985	0.8
98.02427	0.9
101.02450	2.4
109.42023	0.7
113.02476	2.0
115.00446	0.9
119.03539	1.1
119.05006	3.7
120.99661	0.8
126.92284	0.6
127.04036	2.9
130.06255	0.7
130.08691	1.1
134.03780	1.8
135.04543	1.2
139.59764	0.6
149.02470	1.0
161.04601	1.8
163.03995	3.2
175.04012	1.5
177.01903	1.1
180.06647	14.2
180.08110	1.3
187.04054	1.2
188.09338	1.1
191.03406	0.7
192.13869	0.7
193.05151	1.9
205.05161	1.9
206.02254	0.7
219.03064	0.9
219.09178	0.7
248.13339	0.7
262.07349	1.7
272.16290	1.0
308.08142	0.7
308.11530	2.1
309.06186	5.5
309.11911	3.1
309.14813	3.8
326.91159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38440	0.4
70.04728	0.4
71.49934	0.7
72.00909	11.7
74.02467	7.8
81.61399	0.5
82.72051	0.5
93.03453	23.3
94.03783	0.9
99.04481	0.9
106.04239	4.8
107.05035	1.1
108.02113	0.7
115.53669	0.5
119.05029	14.5
120.05405	0.6
127.04011	48.2
128.04333	1.6
134.06076	0.5
136.07664	2.0
144.11525	0.4
163.04005	12.6
164.04279	0.7
175.76506	0.5
180.06648	100.0
181.06990	5.4
262.02563	0.6
262.16125	0.5
264.12457	0.5
308.11386	24.5
309.11792	1.7
311.45810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.5
58.03808	1.7
59.01377	19.5
63.78305	1.9
69.03435	4.4
69.36732	12.3
71.01378	24.3
71.05020	3.4
73.45327	1.5
77.36651	1.3
78.28245	1.6
79.95720	10.7
80.02660	3.0
80.96542	2.5
81.03439	3.0
83.05037	8.3
85.06596	1.7
95.05022	6.3
97.06583	24.2
103.04059	3.7
104.22845	1.6
108.02139	2.2
109.06567	5.1
111.08166	13.1
121.06583	3.0
123.04482	4.4
123.08119	2.0
125.09700	6.1
135.04539	2.0
135.08139	2.3
137.06082	2.6
137.09685	4.9
147.11850	1.7
149.09715	3.6
151.11279	29.4
152.11636	2.3
153.09155	4.5
153.12828	4.3
155.10773	10.2
157.04990	3.3
161.09755	2.2
163.11317	8.9
165.12833	37.0
166.13133	2.6
167.10748	6.2
169.12283	3.3
173.09805	2.7
177.12793	3.8
179.03497	2.5
179.10789	11.5
181.10840	3.3
181.12329	45.5
182.12633	2.8
185.11917	3.1
187.11192	1.7
191.10777	20.1
191.14368	8.2
192.11093	2.3
197.11717	3.3
205.12286	2.6
209.11807	100.0
210.12126	7.1
211.13344	10.8
225.11061	1.8
239.09181	2.0
245.19070	33.3
246.19347	2.4
247.08214	2.2
263.20157	10.3
264.20639	2.7
271.16962	4.1
279.19608	6.5
289.18073	39.8
290.18396	3.7
307.10406	3.0
307.19098	73.9
308.19171	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	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.34977	0.7
59.01366	2.0
61.17619	0.6
69.37207	0.6
69.37563	0.6
69.95412	0.5
70.36374	2.5
70.66792	0.6
71.01366	2.0
97.53831	0.6
103.04020	0.9
129.66096	0.7
138.17926	0.6
187.86536	0.6
195.20004	0.7
219.07924	0.6
307.22763	100.0
308.23108	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36645	0.9
55.01864	1.7
57.03442	6.6
57.06949	0.8
59.01376	8.0
63.32291	1.0
67.01880	2.2
69.03447	2.1
69.97681	1.7
69.98089	2.9
71.01380	3.9
79.95760	0.8
80.02672	3.7
81.03448	5.8
83.01383	12.2
83.05013	5.1
93.03434	1.4
95.05009	4.5
97.02945	6.9
97.06581	13.4
98.20589	0.9
103.04012	1.8
106.04247	1.7
108.02144	1.2
109.02954	1.4
109.06593	3.1
109.55196	0.7
110.03747	1.3
111.08151	1.5
118.53773	0.8
119.05065	1.0
119.08634	1.6
120.05801	1.0
121.06570	2.5
121.10275	1.8
123.04504	10.0
123.08160	5.5
125.06068	2.2
125.09712	20.4
135.08170	2.8
136.05257	1.0
137.06065	2.0
137.09718	16.4
141.09276	0.8
141.12827	3.9
142.02716	2.6
149.06090	3.7
149.09680	1.8
149.59393	0.9
151.11259	2.6
157.04971	0.9
161.09660	2.1
162.10498	1.1
163.07661	2.9
163.11287	20.8
164.08455	1.1
164.11546	1.3
165.09167	2.1
165.12843	6.0
167.10741	1.7
171.10234	1.9
174.10464	1.0
177.12865	1.6
179.03435	1.1
179.10757	3.2
181.12366	5.5
183.72919	0.9
185.11804	21.9
191.10771	3.5
191.14394	18.2
192.14806	1.1
203.14357	1.0
207.10225	10.6
209.11807	52.5
210.12132	3.2
211.13316	1.9
217.15979	2.3
221.12064	1.0
225.11330	9.9
226.11726	1.1
227.17819	1.2
243.17551	1.2
245.19090	47.7
246.19257	4.1
247.16965	1.1
263.20154	5.6
271.17093	5.4
279.19556	1.5
289.18082	100.0
290.18430	9.9
307.19125	50.9
308.19342	7.2
310.81097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
59.01367	3.5
66.07832	0.8
70.26115	1.6
70.69508	0.8
71.01360	2.0
71.05015	5.2
80.02617	1.2
81.03435	3.5
83.05033	1.5
95.05006	2.4
97.02979	0.8
98.03709	1.1
98.20185	1.8
107.05018	1.0
109.06592	10.5
111.04536	4.9
111.08115	0.9
117.84477	0.8
123.04526	1.9
123.08166	2.0
125.09699	3.1
127.07639	2.6
137.09709	3.4
140.17703	0.9
143.10712	0.9
145.06532	1.4
149.06027	1.2
149.09750	0.9
151.11284	0.9
163.11200	3.2
167.10699	1.4
179.10770	1.0
185.11903	4.7
191.14403	4.6
195.13847	3.8
207.10255	3.2
217.15846	1.3
225.11258	2.3
245.19041	13.3
246.19476	1.6
254.55707	0.9
261.18607	1.4
271.16946	1.3
287.16504	2.0
289.18073	100.0
290.18347	10.6
307.19128	25.7
308.19568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03438	4.4
59.01361	5.4
65.03642	1.8
65.03963	25.9
65.35940	1.1
65.98439	1.3
68.37781	1.1
69.03426	1.4
70.65945	2.4
70.66292	1.6
71.01369	4.9
71.05019	16.0
79.05537	1.5
81.03445	1.4
83.05019	6.8
93.03455	25.0
93.07081	1.7
95.05039	2.7
96.96058	1.3
97.05984	2.4
97.06588	35.0
99.08132	2.0
103.03975	2.0
106.04263	2.0
107.05056	2.0
107.08630	1.4
109.06527	1.4
111.04517	2.2
117.07098	21.8
117.89285	1.1
118.07443	1.8
119.04987	3.8
119.08655	34.6
120.05779	2.5
120.09003	1.8
121.05712	2.4
121.06590	41.7
123.08118	2.9
125.09711	28.2
127.11322	1.3
133.06557	6.6
135.08154	100.0
136.08484	4.4
137.09749	3.8
141.12804	1.3
157.05005	1.8
171.10251	71.8
172.10527	3.7
185.11810	33.6
186.12172	1.5
209.11821	21.3
211.13356	16.0
212.13742	1.6
235.13362	39.4
236.13658	3.2
245.19063	3.3
252.13599	1.8
257.86368	1.3
261.18512	3.5
263.19980	1.6
271.17035	5.2
279.19669	7.1
281.89655	1.2
289.18076	72.9
290.18445	8.5
294.53220	1.3
307.15610	2.4
307.19128	43.2
308.19547	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03443	17.0
59.01380	17.6
61.98815	2.7
69.03450	6.0
70.64712	1.7
71.01373	22.5
71.05019	3.1
80.02663	2.6
81.03435	3.6
83.05013	8.5
93.03442	2.9
95.05026	5.9
97.06580	22.6
98.20710	3.8
103.04013	3.3
106.04275	2.1
109.02986	2.3
109.06579	6.6
111.08143	12.4
121.06554	2.3
123.04507	6.0
123.08143	2.0
123.33028	1.9
125.09697	6.0
135.04536	2.9
135.08163	2.8
137.02458	4.1
137.09695	4.0
139.07652	2.4
141.09296	2.1
145.10234	2.5
149.09750	4.9
151.11287	29.0
153.09193	6.5
153.12804	5.3
155.10809	18.1
157.05017	2.5
163.11259	6.5
165.12822	32.8
166.13135	2.5
167.10799	8.1
168.11465	2.1
169.12303	4.3
177.09271	2.1
177.12833	5.5
179.10806	12.2
181.12328	45.6
182.12617	2.3
191.10759	20.7
191.14392	12.4
195.10135	3.2
197.11800	3.2
205.12317	5.1
209.11807	91.3
210.12111	8.7
211.13351	8.8
211.90640	2.4
239.09088	3.6
243.17574	2.1
245.19090	43.3
246.19388	4.8
247.16954	2.1
251.20078	2.8
263.20151	12.0
271.17029	5.4
279.19608	8.3
284.48474	2.0
289.18076	52.4
289.21063	3.9
290.18497	7.5
307.19128	100.0
308.19498	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	307.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
58.00597	0.5
59.01375	12.1
61.98819	1.4
69.03455	1.2
69.28761	2.0
69.29195	1.7
71.01014	0.7
71.01379	10.8
71.05013	5.8
72.00894	1.3
72.99310	0.5
73.02940	6.2
74.02464	1.1
76.55206	0.4
79.00478	0.5
80.14897	0.5
81.03435	1.0
83.05025	3.8
85.02944	1.7
85.06584	5.5
87.00894	0.7
87.04047	0.5
87.04494	3.5
89.02424	0.8
89.26583	0.4
93.03442	1.4
95.05001	1.3
96.96009	0.9
97.02928	1.2
97.06577	3.7
98.06325	0.5
99.04510	0.7
99.08144	1.8
101.02423	1.4
101.06071	3.5
103.04012	2.9
104.17287	0.4
107.05032	8.5
109.06587	2.6
111.08132	4.2
112.88362	0.5
113.02434	0.7
113.06068	1.5
115.03992	2.0
115.07644	9.0
119.05029	0.8
120.99627	2.7
121.06594	0.8
123.08144	2.5
125.06073	6.6
125.09731	1.3
127.03960	2.4
127.07635	2.4
128.07140	1.0
129.09244	2.7
133.02936	2.2
133.06596	3.0
134.03764	0.9
135.04520	11.9
137.02486	0.6
139.07660	0.7
141.09180	1.2
143.07135	3.9
143.10765	1.5
145.05072	3.0
145.08701	21.2
146.09081	0.6
153.09178	2.1
155.07130	1.0
155.10753	1.6
157.05023	1.6
159.06635	3.0
159.10242	5.1
161.02406	1.1
161.04593	0.7
161.08231	1.0
161.13293	0.5
163.04053	0.9
173.11871	0.5
176.22069	0.5
177.01820	0.7
177.03903	0.8
177.09242	1.3
179.03479	13.7
180.03920	0.7
180.06654	4.9
194.08234	0.6
203.10776	1.0
207.06775	0.5
209.15416	0.9
245.17590	1.4
247.08043	1.3
253.14502	0.6
264.12378	5.0
289.16544	15.1
290.16846	1.0
307.08090	1.9
307.17587	100.0
308.11371	8.4
308.17920	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.4
57.03439	4.2
59.01367	5.5
61.90432	1.7
61.98820	4.5
65.03959	59.4
66.04295	2.5
69.60696	9.6
71.01359	5.6
71.05016	33.3
83.05024	2.9
88.22020	1.6
97.06583	72.2
97.07218	3.5
98.06915	2.4
98.20625	3.8
100.19733	1.8
103.04002	3.3
119.08662	14.5
121.06589	100.0
122.06911	3.4
123.08121	5.3
125.08828	2.8
125.09712	43.0
137.09782	3.6
141.12834	2.2
157.05058	2.7
166.47427	1.6
185.11815	86.4
186.12154	5.0
209.11807	36.4
210.12126	2.7
211.13377	41.6
212.13672	3.5
235.13376	91.9
236.13632	8.4
247.08284	2.1
249.96614	1.8
269.12524	1.9
289.18063	21.6
290.18579	2.4
307.10266	2.6
307.19101	34.5
308.19495	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	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03441	1.7
57.93638	0.8
58.00577	2.0
59.01377	59.9
61.98823	1.4
65.29810	0.8
69.49424	4.5
70.88445	0.7
71.01379	34.2
72.99301	3.6
73.02945	8.5
73.95802	0.7
81.03433	1.3
83.01387	2.6
85.02940	14.0
87.00864	1.3
88.04052	0.7
89.02441	25.3
93.03423	1.2
95.01381	2.5
96.95998	0.7
97.06608	1.8
98.19948	0.9
99.00851	1.4
99.04523	2.1
99.08143	2.7
101.01797	1.6
101.02438	22.0
103.04003	2.5
104.08429	0.7
105.03429	1.3
107.05004	1.1
113.02441	9.3
119.03493	9.8
119.05025	1.2
120.99650	74.4
121.99999	1.4
127.04002	1.0
127.07642	9.9
129.09219	2.0
133.02954	13.9
133.03931	1.4
134.03796	3.9
134.04625	0.8
135.04521	83.0
136.04839	4.2
137.02467	1.2
143.04573	1.2
145.08701	10.7
147.04536	1.1
151.04019	1.0
157.05006	1.7
161.02431	13.9
161.04546	1.9
162.02808	1.1
163.03983	1.4
176.07198	1.0
177.01941	5.2
178.02696	2.6
179.03488	83.0
180.03860	4.6
180.06645	2.8
218.17459	0.7
247.08150	0.9
262.06821	0.8
265.12952	1.2
277.08194	0.9
289.07242	2.8
307.08469	20.2
307.13992	100.0
307.17551	8.0
308.08459	1.3
308.11407	1.2
308.14401	6.4
327.12119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.04826	0.2
70.15046	0.3
71.01387	0.7
74.99068	6.6
74.99468	0.5
75.96239	0.5
75.99013	0.3
78.77293	0.3
91.02217	2.4
93.00121	1.8
101.03993	0.2
102.35883	0.3
103.04022	0.5
135.04552	0.4
143.05322	0.6
148.24741	0.3
149.00948	2.5
157.05043	0.3
159.08467	7.7
160.08661	0.3
161.06407	1.7
192.98187	0.7
206.99734	1.6
209.01280	2.4
217.07185	0.7
223.02821	50.8
224.02904	5.0
225.00671	0.3
235.88029	0.3
241.03963	0.5
275.05963	0.4
288.88120	0.3
289.07568	2.0
289.17905	0.3
290.07986	0.3
291.09085	100.0
292.09229	14.0
307.12299	4.0
307.19226	0.8
308.12604	0.4
309.10272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
61.98818	0.5
71.01374	2.3
72.99289	0.5
74.99064	5.5
91.02216	2.6
93.00140	1.5
99.75031	0.4
103.04021	1.2
109.28941	0.4
112.12032	0.4
149.00928	2.4
151.78496	0.4
157.05032	1.4
159.08447	6.4
161.06354	1.6
206.99666	1.3
209.01247	2.4
223.02809	48.8
224.02861	5.5
229.48770	0.6
247.08121	0.8
289.07498	1.8
291.09070	100.0
292.09210	13.5
307.12299	5.1
307.19110	0.6
307.22549	0.5
308.12131	1.0
309.10147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36926	0.7
55.12825	0.8
56.46950	0.8
57.03446	1.0
58.00586	2.2
59.01376	41.9
60.43634	0.8
61.98822	1.1
71.01378	20.6
72.99299	1.9
73.02937	2.5
83.01381	2.1
85.02957	5.8
87.00881	1.7
88.65478	0.8
89.02439	20.1
95.01355	1.9
96.96016	2.4
99.07494	1.1
99.08149	19.4
100.08505	1.1
101.02435	14.7
103.03998	1.8
106.44252	0.9
113.02439	8.1
119.03508	6.8
119.11182	0.9
127.07643	2.8
129.09218	3.1
131.03453	1.3
141.09146	1.4
145.08698	63.6
146.09001	2.4
150.14473	0.9
151.48582	0.9
159.04491	1.1
161.04547	1.4
179.03455	1.8
187.07623	4.2
187.09744	1.9
202.06471	1.7
213.09178	0.9
224.83597	0.9
231.10231	4.6
263.13101	1.4
275.09195	3.2
307.13977	100.0
308.14325	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62338	0.5
58.02946	0.5
59.01377	100.0
60.01713	1.1
62.72209	0.5
64.94244	0.4
69.32860	3.6
71.01375	8.5
72.00916	1.1
72.92064	0.5
73.02956	0.8
74.02480	2.1
79.85670	0.5
81.03474	0.4
83.01414	0.5
83.05054	0.6
83.96915	0.5
85.02943	3.2
86.02497	0.8
89.02440	6.9
91.87183	0.5
93.03482	0.6
96.96058	0.8
99.05642	0.9
101.02439	3.4
103.03989	0.9
105.03493	0.7
107.05107	0.4
109.02982	0.4
110.38635	0.5
113.02449	1.8
115.00412	0.6
119.03479	3.4
120.01222	0.6
120.99650	6.5
122.45679	0.5
127.00371	0.6
127.04101	0.5
127.07654	0.9
128.02739	0.4
128.03516	3.1
129.03917	1.8
133.02954	5.4
134.03688	0.7
135.04518	11.5
143.04645	3.7
144.05016	2.2
147.04559	0.8
157.05075	0.7
160.00772	1.4
161.01137	0.6
161.02469	0.9
161.04620	0.6
176.07153	3.3
177.01913	2.9
177.03287	0.5
178.02698	0.9
179.03482	12.6
179.04927	0.7
180.05171	0.6
180.06659	0.9
211.09106	0.5
220.06219	1.8
236.96689	0.6
247.08305	0.7
247.12141	0.7
255.08122	1.4
273.09424	1.6
289.07144	0.5
307.08170	4.8
307.14133	8.0
307.17703	1.5
308.07773	0.9
308.14569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51217	0.1
52.18336	0.1
58.57383	0.2
59.01384	0.6
71.01371	0.9
71.05023	0.4
73.02925	0.2
79.17197	0.1
85.06589	0.2
85.63607	0.2
89.08767	0.2
92.10350	0.2
93.03466	0.6
95.05020	0.3
96.96028	0.2
97.06587	4.8
98.06838	0.2
98.19778	0.4
103.04018	0.5
105.03452	1.4
106.04237	1.5
109.02927	0.4
111.00890	0.6
111.08183	0.2
121.02956	2.2
123.04538	0.2
131.05072	0.2
133.02953	14.5
134.03734	84.1
135.04565	11.7
136.04854	0.5
137.02438	13.0
138.02788	0.6
139.02922	0.2
139.04012	4.1
140.04398	0.2
144.58205	0.2
149.02419	0.6
150.03195	1.5
153.31071	0.2
157.05107	0.2
159.10213	0.6
161.02470	0.6
162.03204	1.9
165.01894	0.8
169.10216	0.2
175.03940	0.2
177.01920	22.7
178.02695	100.0
179.03325	9.1
180.03833	0.4
187.07564	0.2
213.09178	0.7
231.10239	2.8
232.10603	0.3
247.09843	0.3
275.09232	4.7
276.09604	0.5
289.18069	0.2
307.11911	1.2
307.19189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1184
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
51.64837	0.1
57.67350	0.1
59.01373	0.2
61.98827	0.1
71.01374	0.3
71.32436	0.1
74.75150	0.1
95.05025	0.2
97.06580	6.0
98.06915	0.2
103.04023	0.1
105.03461	0.7
106.04242	0.9
117.03454	0.1
121.02934	0.2
133.02957	3.5
134.03729	100.0
135.04570	8.9
136.04860	0.5
137.02434	1.2
139.03995	0.4
140.10732	0.1
150.03223	0.1
157.04929	0.1
177.01917	6.2
178.02695	18.6
179.03368	1.9
180.03813	0.1
187.07706	0.1
231.10240	3.1
232.10527	0.3
247.08043	0.1
275.09213	3.7
276.09634	0.4
307.11829	28.5
308.12161	2.6
309.33636	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69070	0.5
55.01845	0.5
56.77868	0.7
59.01376	42.6
60.01685	0.7
60.62849	0.6
61.98795	0.8
63.39877	0.5
67.97961	0.7
69.52173	3.5
69.82051	0.5
71.01379	5.9
80.86316	0.6
83.01379	0.8
85.02941	1.3
87.87975	0.6
89.02450	5.5
96.95982	0.6
101.02451	2.8
106.71394	0.5
113.02444	2.2
119.03493	2.2
120.99651	100.0
121.99997	1.3
127.07668	1.6
130.67424	0.5
133.02951	1.3
134.08470	0.5
135.04494	4.0
145.08685	2.0
145.46008	0.6
147.04515	0.8
153.19919	0.5
157.05049	0.9
170.43382	0.5
172.91460	0.5
179.03491	3.8
179.04909	0.6
226.22778	0.6
245.20618	0.5
307.08215	1.2
307.14011	19.0
308.14310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
60.97519	1.0
61.98824	3.2
69.89657	0.9
69.90067	1.4
71.01367	1.2
73.98306	2.7
74.99093	100.0
75.99048	0.6
75.99438	0.8
96.95970	0.6
107.05114	0.4
109.61871	0.4
130.04155	0.5
130.70793	0.4
135.04498	0.6
136.99136	68.9
137.99419	1.1
139.88322	0.4
146.03741	1.3
147.04546	2.0
148.05287	0.6
158.03700	2.9
159.04518	5.2
161.06044	1.0
172.05292	3.3
173.06064	5.9
173.47896	0.4
174.06786	1.3
175.07576	0.9
177.09175	0.9
183.04514	0.7
184.05228	0.5
187.04109	3.0
187.07634	30.2
188.08041	2.4
189.09340	0.5
197.06015	0.4
201.05544	5.3
201.09235	0.5
202.06326	11.8
203.06763	1.0
203.10754	2.6
213.09189	5.6
214.09689	0.6
215.07115	2.1
216.07872	0.7
219.10524	0.6
226.02393	0.4
231.10249	20.2
232.10573	2.0
245.11861	1.7
248.10548	1.9
263.12869	15.4
264.13202	1.5
275.09238	13.4
276.09579	0.7
307.11884	14.2
308.12067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28016	0.6
57.13463	0.5
58.32279	0.6
59.01371	2.4
61.98826	100.0
62.98536	1.0
63.99253	1.1
69.78091	1.5
69.78504	1.6
71.01384	0.9
83.65822	0.5
85.46236	0.6
94.07632	0.6
124.53879	0.9
134.96072	3.6
136.93996	8.5
137.94080	1.3
151.92740	1.1
161.98987	1.1
162.99068	2.0
163.98630	3.6
164.96384	45.7
165.96440	2.6
178.95029	10.6
179.95233	0.8
204.96127	0.6
206.97437	16.5
207.97696	1.6
208.15807	0.6
209.71994	0.6
257.71375	0.6
266.34576	0.8
266.84372	0.9
278.95425	0.7
306.32440	1.4
306.82358	1.5
306.97360	13.8
307.00192	2.5
307.97147	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	5.5
61.98839	2.4
69.75694	10.7
71.01382	8.0
72.00887	4.2
72.04549	24.7
87.05636	12.5
88.04034	16.8
91.05529	10.6
92.15160	1.8
93.16223	2.0
96.95978	2.8
97.04062	5.1
99.05640	6.7
100.04042	100.0
101.04362	2.1
103.04024	3.5
109.04080	2.0
114.02001	3.8
115.05126	87.6
118.06635	3.3
134.03693	3.0
135.04454	3.2
144.03017	53.0
145.03320	2.2
147.04482	7.0
147.07898	1.8
159.04501	3.3
164.07147	3.0
172.05309	4.0
173.06085	5.2
174.06889	2.6
175.07654	2.5
176.07140	16.9
187.03961	4.7
187.07597	27.6
188.07918	2.5
188.27036	1.9
189.06737	3.3
190.05112	2.4
201.05594	4.4
201.10315	11.3
202.06328	14.7
203.10715	2.7
208.08069	2.0
213.09209	5.4
215.07120	3.1
219.11348	3.8
220.06082	2.9
231.10262	13.2
235.10843	53.4
236.11208	4.8
245.09306	28.9
245.11639	2.8
248.10440	2.0
261.08670	5.1
263.10272	16.4
263.12900	17.0
264.10458	2.8
266.19208	1.7
271.15512	2.6
275.09286	6.3
280.67880	1.6
284.02982	1.7
289.08206	3.3
307.08829	3.3
307.12213	13.3
308.12180	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59103	0.3
51.21048	0.2
53.56388	0.2
59.01371	1.1
59.40018	0.2
61.90109	0.2
65.00335	0.3
71.01371	2.3
71.51419	0.3
80.22536	0.2
81.75407	0.2
85.02949	0.3
93.03471	0.8
95.05045	0.4
96.96002	0.3
97.06577	5.9
103.04012	1.3
105.03439	1.1
106.04239	1.7
107.05018	0.3
109.02951	0.6
120.99667	0.3
121.02952	2.1
126.53709	0.3
133.01932	0.6
133.02951	13.5
134.03732	96.2
135.04547	24.5
136.04840	1.0
137.02434	12.1
138.02802	0.4
139.04013	4.1
140.04372	0.3
145.03047	0.2
149.02446	0.8
150.03198	1.1
157.05060	0.9
161.02432	0.8
162.03198	2.8
163.03757	0.3
165.01974	0.3
177.01917	25.2
178.02695	100.0
179.03452	18.6
180.03807	0.7
187.07759	0.3
213.09192	0.6
231.10262	3.0
232.53122	0.2
247.08115	0.3
275.09229	7.6
276.09613	0.4
307.11890	2.2
307.18936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.59446	1.2
57.03437	2.6
59.01369	4.5
59.01655	1.0
61.98825	2.6
65.03950	3.1
68.67787	1.1
69.26452	1.0
71.05019	6.9
71.51917	1.9
79.05530	11.5
81.03421	1.3
87.86031	1.1
93.03453	2.6
95.05040	2.4
97.06582	16.3
106.04242	12.3
107.05037	3.2
109.06564	2.2
117.07102	3.0
119.05001	3.9
120.05829	5.9
121.06570	3.9
123.08184	6.1
125.09715	20.5
133.06580	1.6
133.61673	1.2
135.08157	100.0
136.08499	4.8
137.09686	2.8
151.11253	2.8
162.06871	1.5
163.11246	2.1
167.23459	1.2
169.79846	1.2
185.11784	2.3
205.15958	6.5
207.10283	2.9
209.11734	2.8
221.11710	1.1
231.13876	1.7
243.17444	2.0
249.14917	49.5
250.15260	3.7
261.14981	1.4
263.16467	1.7
269.15472	3.3
287.16473	13.1
288.16763	3.1
302.48181	1.1
305.17548	87.5
306.17908	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.23243	1.0
59.01389	6.0
61.98824	3.4
65.74092	1.1
71.05016	48.2
71.35113	1.8
71.65845	1.2
80.02682	1.6
81.03446	5.4
83.05003	1.8
85.02937	1.9
93.03436	4.0
95.05018	22.1
106.04214	3.8
107.05025	3.2
109.02901	2.1
109.06581	21.8
111.04504	3.3
119.05036	1.6
121.06588	8.2
121.10205	2.0
123.08125	2.0
127.07665	2.7
131.38010	1.1
133.06660	1.2
135.08133	3.4
147.04466	2.7
147.08098	3.3
149.06067	2.0
149.09630	1.4
150.06827	1.3
161.06061	3.3
161.09769	2.2
165.09183	14.6
168.13913	1.3
189.12843	16.2
190.13257	2.0
205.15950	10.2
215.10844	1.5
231.13870	3.8
233.11862	9.3
243.17528	15.1
244.17862	1.6
245.15663	1.2
249.14912	13.0
261.18591	2.6
263.16516	2.5
269.15500	3.1
287.16498	94.4
288.16855	10.7
305.17560	100.0
306.17868	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	306.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
59.01377	100.0
60.01711	1.9
61.98831	1.9
67.27761	0.5
71.01380	8.1
71.51259	0.7
72.99317	1.0
73.02954	5.2
74.02486	0.8
81.03444	1.2
82.98129	0.5
85.02954	6.3
85.81874	0.5
86.03272	0.5
87.00849	0.8
87.05650	0.8
87.17304	0.5
89.02426	3.9
96.96024	0.9
97.06611	2.1
99.04539	2.3
101.02457	3.0
101.06079	25.5
103.04022	1.5
105.03458	0.6
107.05043	0.8
113.02476	1.2
119.03493	1.5
120.54585	0.5
120.99662	4.1
127.07637	1.3
128.03580	0.9
129.09262	1.1
133.02959	4.6
134.03766	3.1
135.04521	66.9
143.04649	1.4
144.07610	0.5
147.04599	0.8
157.05106	0.9
158.09276	1.3
161.02467	4.7
164.07210	1.2
177.01942	1.3
177.21210	0.6
178.02684	1.2
179.03491	68.8
247.08267	0.9
262.09094	0.6
289.07101	1.3
298.89716	0.5
306.07446	1.7
306.13992	1.2
306.16714	0.5
307.08188	11.4
307.14069	7.9
307.17728	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
59.01377	100.0
60.01702	1.1
61.98821	0.8
70.79728	0.4
71.01376	4.4
73.02954	2.1
83.01418	1.1
85.02934	2.2
87.00881	0.4
99.00885	0.9
101.02429	4.6
108.73469	0.4
113.02462	1.8
160.63567	0.5
161.04562	1.2
181.08751	1.0
195.09032	0.4
197.55533	0.6
228.95235	0.4
263.14932	6.8
263.17340	0.5
305.10211	0.4
305.22470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
59.01376	100.0
59.90612	0.3
60.01717	1.5
61.98828	0.6
71.01381	4.7
72.27605	0.3
72.99331	0.3
73.02937	1.7
83.01390	1.3
85.02944	3.1
87.00890	0.3
89.02457	0.4
99.00906	0.8
99.08152	0.6
101.02431	5.2
106.89497	0.3
111.00885	0.3
113.02456	1.5
159.02995	0.3
160.08936	0.3
161.04543	1.7
181.08701	0.4
204.86914	0.3
217.07028	0.4
263.14954	6.6
264.15234	0.5
283.54941	0.4
288.00162	0.3
305.22644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05391	0.7
59.01361	2.1
67.18531	0.8
68.99567	68.2
69.99871	0.7
70.02737	0.9
70.03085	2.9
71.01378	3.0
72.99325	1.0
74.02468	1.3
75.86835	0.6
90.50802	0.7
98.19936	0.9
112.98560	100.0
113.98920	0.8
115.00368	7.9
116.03487	0.7
121.58024	0.6
128.03427	0.7
130.96603	1.0
133.01422	16.2
162.47827	0.7
165.06573	0.8
183.07736	1.1
188.96918	0.7
202.95085	3.6
231.69682	0.6
244.96115	2.4
251.64000	0.6
261.08658	0.8
276.79953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39291	0.6
53.63504	0.6
59.01376	47.2
61.98830	1.2
69.03439	0.7
71.01375	4.6
71.50809	0.5
73.02945	0.6
73.45526	0.5
74.02472	1.9
74.99105	0.6
77.29165	0.5
79.95745	1.4
80.12314	0.5
85.02954	0.8
85.06586	8.6
86.02457	0.6
87.05642	1.0
89.02450	0.8
96.96005	100.0
97.06604	1.1
99.00857	0.8
99.05644	1.4
101.02442	1.1
102.98622	0.6
104.03353	0.6
113.02447	0.9
113.06059	1.6
114.58596	0.6
115.00361	1.5
115.04006	1.5
119.03493	0.6
120.99632	2.0
121.05219	0.5
128.03546	2.9
129.44722	0.6
133.01402	1.4
135.08206	0.5
143.04625	3.9
143.06940	0.7
147.08139	1.4
157.05150	0.7
160.00665	1.2
177.01872	0.6
179.54639	0.5
189.07671	2.0
205.14427	0.6
210.08783	0.9
225.11302	24.0
226.11693	1.7
233.06042	1.0
254.07822	1.3
272.08984	0.6
305.06998	86.2
305.15897	3.1
306.07394	7.8
306.10593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97630	0.8
59.01354	0.9
67.41170	0.7
70.01781	1.4
70.02174	2.0
71.01376	13.8
72.99300	8.2
87.00883	1.5
89.02451	2.9
108.90202	1.7
108.93734	2.0
115.00365	42.2
116.00697	1.7
118.96584	1.3
130.96654	3.5
132.98178	1.9
133.01424	100.0
134.01761	2.7
148.97636	1.6
164.92735	3.1
188.97148	4.8
192.91721	0.8
202.95087	11.9
206.93785	3.0
230.98201	2.1
244.96198	8.2
275.81882	0.7
297.83157	0.6
304.98355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92205	0.4
59.01366	0.8
60.36265	0.5
71.01376	14.1
72.99298	5.8
87.00858	1.0
89.02453	2.5
101.02454	0.6
104.83116	0.4
111.01996	2.3
112.32968	0.5
112.98676	0.4
115.00363	43.2
116.00695	0.9
118.96592	0.9
124.62213	0.4
128.03532	0.5
130.96628	3.5
133.01421	100.0
134.01773	3.3
145.01433	0.8
148.97685	1.4
188.97150	1.7
202.95041	8.0
230.98160	0.8
244.96121	7.5
244.98416	0.8
304.98383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.097
Annotation	N-Acetyldehydroanonaine
Peak:m/z	Relative Intensity
50.70998	1.5
58.02979	8.7
58.60304	1.5
59.01376	11.6
60.05158	1.6
61.98818	3.3
69.49526	1.6
70.02975	37.9
71.01368	11.7
71.02471	1.8
71.50851	2.2
74.02463	2.5
75.00856	1.9
85.02934	2.0
87.92529	2.3
88.04050	2.2
89.02428	1.9
96.00909	60.2
96.96012	3.5
97.04050	2.3
99.05630	42.4
101.02418	2.3
103.92036	2.5
111.02018	2.7
113.02408	1.8
113.03593	13.8
114.01961	100.0
115.00352	3.1
120.01241	1.8
123.05605	2.5
127.04076	1.9
128.03474	2.2
128.04361	1.9
131.03696	2.6
131.04617	38.7
132.02979	2.0
133.01355	2.0
141.06703	32.6
143.11783	2.5
147.05974	10.5
166.29430	1.8
170.09258	2.9
172.04376	2.4
187.06053	5.7
188.06491	8.9
189.07011	85.0
190.07346	2.5
218.09557	2.1
274.13998	2.2
286.08682	16.7
304.09692	83.2
305.07016	2.6
305.10052	4.3
305.16058	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09577	0.1
58.02971	37.9
59.01372	0.3
59.02692	0.1
59.03311	0.6
59.11907	0.1
61.98809	0.1
69.91795	0.3
80.52794	0.1
93.03438	0.1
98.19995	0.2
116.64187	0.1
142.88155	0.1
148.77330	0.1
151.11282	0.3
161.73059	0.1
168.13924	100.0
169.14275	5.7
169.15770	0.2
211.59906	0.2
212.12900	5.2
213.13216	0.4
260.21490	0.1
280.45407	0.1
289.18137	0.1
304.19147	1.3
305.17340	0.4
321.54242	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	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20095	0.6
59.01374	3.5
61.98824	100.0
69.95640	1.9
79.95702	0.7
92.17417	0.5
136.93976	1.0
160.01582	0.9
161.01251	1.3
161.98936	20.8
162.99055	1.5
167.91331	2.4
184.90694	1.6
185.01572	0.5
204.00015	4.2
204.89702	9.6
205.39690	2.2
205.89584	2.0
232.99808	0.8
235.87057	0.8
236.86957	0.6
240.87437	1.1
241.88081	5.3
242.38138	1.1
242.87996	1.8
254.28462	0.5
263.84875	51.6
264.34924	16.1
264.84747	14.2
278.16660	0.6
303.82724	84.7
303.99997	14.0
304.32770	27.1
304.82599	28.9
305.00092	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09339	0.5
57.03423	0.7
58.99588	2.1
59.01374	1.0
61.35585	0.5
61.98808	0.7
63.30313	0.4
71.00254	0.9
71.01373	2.3
71.05016	0.7
80.02673	6.7
81.03448	1.3
85.01181	2.7
85.02937	5.8
86.99075	0.9
95.01366	2.5
95.05025	2.2
97.02916	2.7
99.08154	14.8
101.00655	1.3
109.06566	0.8
114.01453	0.8
119.08641	3.1
120.99648	15.4
121.06607	1.1
130.04572	24.9
131.04904	0.7
133.03085	0.5
135.04468	1.4
135.08153	1.7
137.09715	26.2
138.10033	1.7
155.10776	2.2
171.08487	10.0
173.10023	1.1
181.08690	30.1
182.09044	0.9
182.65268	0.5
187.13318	0.8
199.09737	3.6
215.07454	100.0
216.07768	5.4
229.14464	3.4
236.96381	0.6
238.74564	0.6
241.12761	0.6
262.59595	0.5
303.08951	2.2
303.12350	0.6
303.21756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01378	4.9
71.01379	27.4
71.11008	0.3
71.50948	0.5
72.01694	0.5
72.99290	0.3
115.00364	10.5
118.39350	0.3
125.09696	0.4
127.11283	10.9
128.11630	0.7
133.01390	1.5
135.04550	0.4
174.12888	0.9
187.13377	100.0
188.13713	5.9
223.10013	0.3
285.20578	0.4
303.14578	1.6
303.18207	0.5
303.21771	5.4
304.15302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62790	0.4
56.93230	0.3
57.03450	3.3
59.01377	10.4
59.10282	0.3
71.01377	30.6
72.01719	0.6
85.02956	0.5
86.19276	0.4
94.18444	0.3
97.81992	0.4
101.02412	0.5
115.00364	9.6
116.00736	0.5
127.11289	11.1
128.11604	0.6
133.01413	1.3
169.12279	0.7
174.12848	1.2
187.13382	100.0
188.13718	6.3
261.13681	0.4
278.00516	0.4
303.14462	1.5
303.21869	4.7
304.15536	0.4
304.22183	0.5
308.46127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01378	100.0
60.01712	1.4
65.93544	0.7
66.58752	0.7
70.44454	2.5
71.01385	8.4
71.80604	0.8
72.99305	4.1
74.99100	2.4
75.00885	3.3
77.11611	0.7
85.02982	1.0
89.02464	5.6
95.05059	0.8
97.06619	1.7
98.20046	0.8
101.02472	1.8
107.05038	0.9
109.06604	0.9
111.08181	2.2
111.95917	0.7
112.98823	2.2
113.02472	2.3
114.32941	0.7
117.01953	1.2
119.03525	1.4
120.99667	0.9
121.06620	1.9
122.06169	1.2
123.08150	1.8
124.07623	0.8
125.06139	1.1
125.09729	1.8
135.03117	1.2
135.04564	1.5
136.07693	1.1
136.99117	3.5
139.07642	4.9
139.11292	0.8
142.99855	9.6
149.06131	2.2
153.05553	1.4
155.10757	5.5
167.07159	6.9
167.10750	1.8
171.08592	1.4
171.10237	1.8
173.00952	2.5
174.01689	3.2
180.48785	0.7
185.11845	11.8
187.09761	5.0
199.09819	3.1
211.06136	1.3
213.07745	1.9
217.10806	5.8
225.07765	0.9
229.10757	1.8
259.11954	2.0
303.14407	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60181	0.5
55.01879	0.9
55.40180	0.5
57.53846	0.5
59.01377	100.0
60.01714	1.2
69.89174	0.5
71.01371	7.4
71.52114	0.5
72.99342	0.6
73.02956	2.0
83.01405	0.8
85.02953	3.3
88.27003	0.6
92.05032	0.5
95.01414	0.7
96.96011	0.8
99.00900	1.7
101.02439	5.6
113.02430	2.5
115.00405	1.0
120.01288	0.5
120.99656	3.7
122.06143	1.2
124.07619	0.8
125.09743	2.0
133.01471	0.8
136.07716	0.8
141.09247	1.1
155.10817	0.6
159.03049	0.5
161.04573	3.4
168.06683	0.9
171.08478	9.2
172.73346	0.5
185.08232	0.6
185.11821	0.7
187.09819	3.2
193.37639	0.5
215.07454	3.2
219.97966	0.5
261.13403	9.8
261.16046	0.7
262.13901	0.9
303.09052	1.0
303.13864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06730	0.4
51.98691	0.3
54.19395	0.3
59.01376	0.5
69.03448	1.1
70.70210	1.0
71.01376	18.7
71.04998	0.8
73.02943	0.5
85.06553	0.4
98.19938	0.3
113.09727	2.9
115.00370	8.8
115.07636	1.7
116.00648	0.4
125.09721	1.3
133.01413	0.5
146.28925	0.4
157.08740	0.4
167.10674	0.4
169.06888	1.0
183.10242	0.6
184.78799	0.4
185.11810	100.0
186.12158	5.8
221.95461	0.3
301.12848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.1
71.01379	18.6
71.05008	0.4
71.65234	0.3
75.98497	0.3
100.61940	0.3
103.94012	0.3
113.09724	2.9
113.29925	0.3
115.00368	9.3
115.07639	1.1
125.09669	0.6
133.01402	0.7
167.10800	0.6
169.06895	0.3
185.11813	100.0
186.12152	6.2
193.77631	0.4
212.47697	0.3
268.06686	0.3
270.08829	0.4
301.13358	0.7
303.68073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72866	0.6
55.01869	1.0
55.59851	0.5
59.01377	3.3
61.98814	0.6
69.23876	3.3
69.24277	1.4
71.00970	0.7
71.01376	25.4
73.02941	84.3
74.03279	1.1
75.82272	0.6
78.95891	0.6
79.95731	2.8
80.02644	0.6
83.01345	0.7
96.96016	0.8
115.00367	17.9
117.01880	0.8
133.01447	3.0
135.04530	0.9
153.02058	0.7
165.12849	0.8
183.13853	5.5
183.23865	0.6
184.38028	0.6
185.11819	100.0
186.12202	5.8
209.11856	0.7
211.07368	0.5
211.13400	5.1
212.13809	0.7
257.79593	0.8
286.03836	1.6
300.99820	1.0
301.03088	0.9
301.06848	1.8
301.11279	1.9
301.20013	9.2
302.20276	0.7
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
52.67871	0.2
54.15002	0.2
60.97501	0.8
67.23931	0.2
70.25970	0.6
74.99058	0.8
90.95297	0.1
110.46204	0.2
118.96236	0.9
134.99397	5.5
135.99338	0.3
136.97304	1.6
141.07425	0.4
143.05331	2.1
150.98877	0.4
159.08463	1.5
161.06387	5.4
162.06604	0.4
201.04135	0.6
203.05630	3.3
204.05655	0.3
205.03590	0.8
215.05658	1.2
217.07191	87.3
218.07309	7.0
232.13586	0.2
235.08344	0.3
261.06161	0.7
277.62128	0.2
283.11877	0.6
283.15253	0.2
285.13455	35.4
286.03897	0.3
286.13663	4.4
301.16580	100.0
301.65628	0.2
302.16766	13.0
310.99887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52265	0.4
57.03430	0.5
57.53588	0.4
59.01376	8.0
60.99304	1.3
65.00417	0.4
66.50755	0.4
71.01377	12.1
71.05018	2.6
71.49500	0.7
73.02927	0.5
73.79430	0.4
78.95892	0.6
85.06588	1.1
87.00856	1.5
89.02438	0.4
96.96019	0.8
96.96939	1.5
99.04513	6.4
101.02442	0.4
103.91978	0.6
110.98514	0.4
113.06085	8.1
113.06844	0.3
114.01926	0.4
115.00373	9.4
119.05033	1.1
125.06085	7.4
127.04013	24.7
128.04364	0.8
128.07138	0.5
131.53311	0.4
133.01428	6.2
142.99884	0.5
143.07143	2.9
175.02435	0.4
185.06035	0.5
185.07718	0.4
187.06099	100.0
188.06432	4.5
218.43710	0.4
242.98085	0.5
303.07190	1.5
309.88983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47924	1.0
57.03447	1.5
58.99594	5.1
59.01374	15.0
61.98825	3.0
69.03493	1.2
69.66050	6.5
71.01373	3.8
76.88994	0.9
80.02674	14.2
81.03481	1.4
83.04979	1.3
85.01165	2.6
85.02945	4.0
90.39767	1.0
95.01393	2.7
95.05022	3.9
97.02934	6.3
98.20672	1.2
99.08150	19.8
101.00632	1.5
102.98601	8.1
105.26423	1.0
109.06596	2.4
115.00375	1.7
119.08657	6.2
120.99646	30.2
121.06561	2.4
130.04567	17.3
135.04500	4.0
135.08165	3.7
137.09714	50.5
138.10043	2.0
155.10768	3.0
171.08449	6.7
173.09993	1.1
181.08687	100.0
182.08961	5.3
187.13399	7.6
199.09715	4.3
215.07449	63.7
216.07800	3.8
243.19556	1.5
245.13721	1.0
285.20972	1.2
303.09036	8.5
303.21765	23.7
304.21832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1861
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.00155	0.7
50.11700	0.5
57.03460	2.5
59.01374	2.6
69.03434	1.7
71.01373	2.2
71.05014	1.1
71.51364	0.6
83.05003	1.5
84.02158	0.7
85.02943	7.4
85.94108	0.5
95.05007	2.3
97.02928	1.0
97.06580	11.2
99.08145	4.4
106.09448	0.5
109.06606	0.8
110.03696	0.9
111.08086	0.7
121.06606	0.7
125.06065	1.8
127.11256	1.6
132.02232	0.6
135.08118	0.8
137.09734	3.7
139.07588	0.9
139.11255	3.8
143.07126	14.7
143.09735	0.5
147.08151	0.8
149.09705	3.9
155.10757	6.2
156.11081	0.6
157.08687	1.5
165.09166	1.0
167.10764	1.0
169.08586	0.6
171.10289	0.9
181.08714	1.3
183.10246	19.6
184.10727	0.7
190.99918	1.6
193.08665	2.2
201.11293	10.1
211.03900	0.5
211.09758	1.1
219.17523	1.1
220.60208	0.6
227.03488	1.0
228.04181	0.7
229.10568	0.7
240.04207	2.2
255.03055	0.9
263.16501	3.5
281.17584	2.3
283.02493	1.2
284.03241	21.1
285.03622	2.0
299.05569	12.3
299.18607	100.0
300.05927	1.4
300.18942	10.7
303.90445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56655	0.3
54.04975	0.3
59.01376	0.8
61.98827	100.0
65.43818	0.3
70.07744	1.0
70.08096	0.7
70.84073	0.4
74.72413	0.4
80.74833	0.3
81.81305	0.3
93.03461	1.3
94.03815	0.9
100.65474	0.3
100.71078	0.4
115.00346	0.4
133.01465	0.4
137.02428	0.8
138.02788	1.6
139.04019	0.5
167.15683	0.4
184.06197	1.1
285.03650	1.5
300.06021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00313	0.3
59.01373	2.2
61.98829	2.4
68.01400	0.3
68.99831	0.3
69.71599	1.3
71.01375	3.8
72.01707	0.8
73.02926	0.3
74.02467	0.4
80.96518	0.6
85.02946	0.6
89.02431	1.1
93.03452	10.2
94.03109	0.4
94.03791	7.6
98.20564	0.4
101.02417	0.7
109.06535	0.3
113.02424	0.4
115.00362	1.3
116.00677	0.3
119.03488	0.3
119.05009	0.3
120.05319	0.3
122.02478	0.6
123.03262	10.1
124.03567	0.8
125.03803	0.3
133.01433	1.0
134.01738	0.5
137.02435	14.3
137.04773	1.0
138.02783	14.2
138.05598	100.0
139.02885	0.6
139.05959	5.0
139.07608	2.6
140.06100	1.1
140.07974	3.0
141.09215	1.0
152.07152	0.8
162.01974	0.5
165.04286	0.5
167.05836	0.4
169.06989	0.4
180.06635	2.1
183.06587	0.7
184.07043	1.8
185.08186	1.8
213.05574	0.3
241.04662	0.5
255.06657	0.7
256.03406	0.4
270.08987	0.8
284.02994	0.6
285.03580	5.0
286.04022	0.5
300.05826	2.5
300.10901	6.9
300.14813	0.5
300.15457	0.5
301.11008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01379	4.1
59.11005	0.9
62.52019	1.0
63.54758	1.1
63.96226	1.2
70.69257	3.1
71.01379	17.0
72.99296	1.6
83.05039	3.2
96.96016	8.5
99.02750	3.1
109.01117	2.3
110.01880	5.7
115.00380	11.7
120.53444	1.0
120.98882	1.0
120.99618	5.9
123.08150	3.8
125.04295	6.7
133.01430	5.9
135.04541	1.2
135.98375	4.3
139.11220	1.4
141.09209	69.0
142.09547	3.5
151.05847	20.5
165.12801	1.3
169.06908	100.0
170.07204	4.1
183.10240	2.1
185.08180	57.8
185.11807	9.7
186.08455	2.7
209.11812	46.2
210.12111	3.0
213.05943	6.5
227.12917	3.2
257.08459	10.5
283.06976	2.5
300.99973	2.2
301.07410	3.6
309.25842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82282	0.7
59.01364	2.2
67.15546	0.8
69.03452	5.1
71.01379	19.1
72.99302	2.3
83.04990	1.0
96.96019	1.1
98.19850	1.6
109.01201	1.0
113.02428	7.2
115.00373	24.9
116.00714	1.5
120.99659	0.7
123.08142	4.5
133.01428	28.8
134.01756	1.1
135.98364	1.2
136.00842	1.0
137.84398	0.7
139.07649	1.9
141.09210	100.0
142.09578	4.5
151.05853	2.3
169.06927	11.2
170.07130	1.0
183.06601	1.0
185.08179	96.5
186.07123	0.8
186.08499	4.7
209.11809	9.8
211.25659	0.8
229.15674	1.0
289.99182	0.7
301.19458	0.7
311.74527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0931
Annotation	Tachioside
Peak:m/z	Relative Intensity
50.35260	0.3
58.91354	0.3
59.01369	0.8
61.98826	1.1
69.34482	2.3
69.83995	0.3
71.01376	2.4
72.99289	0.4
73.02953	0.9
74.08072	0.3
75.37572	0.3
77.12447	0.3
81.14285	0.3
83.06499	0.3
85.02956	1.2
93.03452	6.5
94.03793	0.4
95.01407	1.9
96.96011	1.6
99.00890	0.5
101.02425	1.4
102.25787	0.3
108.02161	0.3
109.02950	0.4
113.02454	1.1
115.00397	0.5
121.02070	0.3
121.02951	7.7
123.00882	27.9
124.01726	2.2
133.01416	0.8
137.02444	1.7
138.03230	17.6
139.04013	100.0
140.04347	3.8
144.98206	0.3
145.01416	0.3
151.04028	0.4
161.04572	1.1
165.01913	0.9
165.09175	0.3
165.23906	0.3
166.02730	0.7
168.74307	0.3
181.05099	1.4
186.12560	0.5
193.05080	0.8
200.97162	2.1
201.00807	0.4
214.10443	0.3
258.04089	0.3
286.03903	0.4
300.98740	0.4
301.05948	2.5
301.09332	2.9
302.13492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82787	0.5
59.01376	57.5
62.91323	0.6
63.53214	0.6
70.52673	0.6
71.01377	19.2
71.51355	0.8
96.95985	0.7
97.01162	1.6
109.66302	0.6
115.00372	15.1
116.00721	0.7
120.79179	0.6
133.01421	3.8
135.04506	1.3
144.04550	4.3
171.10320	1.2
179.03506	0.8
185.11813	100.0
186.12135	5.0
209.11922	0.7
213.05901	1.0
257.12900	2.5
286.03757	0.7
301.06128	0.9
301.20160	10.8
302.20508	1.4
307.66614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61440	1.1
52.10539	1.0
54.01643	1.0
57.03445	5.2
61.98802	1.0
69.03459	11.5
69.48404	5.0
71.01380	97.2
71.05006	2.9
72.01719	2.0
98.20654	1.5
111.08138	1.8
113.06070	1.1
115.00372	33.3
116.00626	1.1
120.99651	1.5
123.08195	1.2
139.11293	16.1
162.29721	1.1
171.27550	1.1
183.10255	100.0
184.10538	6.0
202.31949	1.0
227.03468	1.4
240.04436	1.3
255.15985	2.0
284.03351	11.9
299.05588	7.6
299.11249	1.6
299.18463	2.6
300.05887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	16.6
59.01373	1.6
69.03435	1.1
69.26434	4.4
71.01378	32.6
72.01698	0.6
74.80004	0.5
98.20725	0.9
113.06125	0.6
115.00366	14.3
123.08163	1.3
128.82083	0.5
133.01410	5.5
139.07629	2.0
139.11285	14.6
140.11639	1.0
141.09193	2.2
148.11298	0.6
165.09155	1.3
174.32964	0.6
179.53963	0.5
183.10240	100.0
184.10565	5.8
190.99870	1.0
198.37750	0.5
199.04001	0.5
211.13367	0.9
225.11270	0.9
227.03453	0.8
240.04201	1.1
255.03001	1.3
255.12424	0.7
271.02454	2.0
283.02313	0.7
284.03241	14.7
285.03531	1.5
299.05542	9.4
299.11285	1.6
299.18542	1.1
300.02713	2.2
300.05905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11400	0.8
57.03431	3.2
69.03447	11.0
69.39420	6.6
70.50790	1.0
71.01376	99.0
71.05016	2.6
72.01727	1.0
84.48193	1.0
111.08125	3.2
113.06087	1.7
114.99577	2.0
115.00367	32.6
123.08073	1.5
139.11282	17.3
183.10234	100.0
184.10609	5.2
214.18715	0.9
225.70918	0.9
240.04303	1.2
284.03220	10.4
299.05551	6.6
299.11282	2.2
299.18396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18449	3.1
71.01377	53.6
115.00381	21.8
121.10214	7.5
133.01421	1.3
139.11288	7.3
183.10245	100.0
184.10612	4.9
185.24516	0.8
209.73193	0.9
233.52611	0.8
240.04352	1.1
254.59663	0.8
256.03879	0.8
284.03223	6.8
285.03696	0.9
299.05634	5.7
299.11298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1497
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
51.37824	0.4
59.01376	100.0
60.01712	1.0
69.92751	2.0
71.01373	4.6
72.99297	0.4
73.36165	0.4
74.02483	0.7
74.99115	1.9
75.00891	0.5
75.74284	0.4
79.58456	0.4
85.02975	0.4
86.05530	0.4
89.02446	0.8
101.02442	0.7
106.74420	0.4
109.02973	0.4
113.02470	0.8
114.76762	0.4
115.00375	2.5
133.01450	3.6
137.02425	1.3
139.07648	13.3
139.08743	0.7
140.07976	0.7
183.06615	7.4
183.08150	0.7
190.99860	1.0
221.11888	0.8
228.04399	0.6
239.12933	1.2
240.04355	1.3
255.02937	0.5
283.02618	0.8
284.03201	12.8
285.03531	1.0
299.05594	8.6
299.15146	1.3
300.05981	0.7
300.15491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11414	0.7
64.31064	0.7
70.86007	1.4
71.01381	20.5
72.01746	0.9
75.84211	0.7
80.51277	0.7
81.71345	0.6
103.13048	0.7
115.00372	12.6
133.01430	10.8
139.07646	100.0
140.07985	5.6
183.06609	45.2
184.06996	2.4
191.28586	0.7
194.74661	0.7
284.03278	3.4
299.05515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0768
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
52.77232	0.3
59.01388	0.5
65.03930	0.3
69.15895	2.6
69.16290	0.8
71.01374	3.2
73.02944	0.6
74.30618	0.3
78.95899	0.4
85.02939	0.9
93.03452	62.2
94.03781	1.8
100.83921	0.3
101.02425	1.5
113.02460	0.6
113.14797	0.3
115.00383	0.5
133.01402	0.7
136.02255	0.3
137.02435	100.0
138.02783	4.0
138.05602	1.2
139.05951	1.5
139.07640	0.5
141.20416	0.3
161.04514	0.4
184.06166	1.6
209.48816	0.4
284.03247	1.5
299.05170	0.6
299.07959	1.0
323.48383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.76715	0.3
53.19078	0.3
59.01353	0.5
65.03967	0.5
70.98914	0.7
71.01375	3.2
73.02940	0.4
73.93622	0.3
76.53628	0.3
85.02946	1.0
93.03453	59.1
94.03786	2.1
101.02440	1.1
113.02442	0.6
115.00354	0.6
133.01407	0.7
134.26888	0.3
137.02437	100.0
138.02773	3.3
138.05611	2.3
139.06009	0.6
139.07645	3.8
161.04562	0.5
183.06615	1.5
224.68889	0.3
284.03293	2.2
299.05157	0.7
299.08215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44590	1.0
54.71759	1.1
59.01367	5.0
60.38581	1.1
61.98811	3.8
70.45352	3.5
71.01369	4.5
74.99119	1.1
78.95886	3.1
79.15283	1.0
85.02962	2.0
93.03456	61.8
94.03771	2.1
112.04030	1.2
124.04031	1.7
130.30896	1.0
133.01311	1.2
133.02985	1.4
137.02435	100.0
138.02769	2.6
138.05562	1.4
139.05925	1.3
183.06514	1.2
184.06075	4.4
190.99760	2.1
200.04665	1.8
200.97101	2.7
211.03914	1.3
227.03459	4.7
228.04077	1.4
240.04228	6.0
255.02892	3.7
256.03568	1.3
283.02411	4.1
284.03244	61.3
285.03583	5.9
299.05536	34.1
299.08701	2.4
300.05811	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	297.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
58.69212	1.3
59.01376	31.1
71.01376	17.5
71.50447	1.6
72.01742	1.4
72.99292	2.2
73.02940	46.9
73.53527	1.2
75.00850	1.5
83.01392	1.6
85.02943	2.7
87.00871	5.3
89.02428	11.4
89.42699	1.3
96.96033	1.5
99.00853	6.7
101.02450	7.7
105.01917	14.8
107.80629	1.3
113.02422	4.0
115.00343	7.1
116.32126	1.2
117.01929	100.0
118.02284	2.3
118.05087	1.4
119.03465	4.9
119.05019	1.9
121.02953	25.0
131.01999	2.5
133.01431	5.8
133.22859	1.3
135.04518	6.8
135.06644	3.2
136.64264	1.3
138.05583	5.9
148.04068	1.7
150.51619	1.4
151.02171	2.5
157.76357	1.4
161.04550	1.9
179.05612	4.3
181.05054	21.6
182.97008	1.5
184.99382	9.6
237.09784	3.5
288.83679	1.4
296.94888	2.2
297.08197	6.1
297.11810	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	297.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46637	1.7
57.03432	6.0
58.95264	1.5
59.01375	35.5
61.98780	1.6
69.03465	1.9
71.01385	11.3
71.05018	4.1
71.16580	1.5
72.02189	1.8
73.90265	1.8
76.88799	1.7
81.03434	4.3
83.05016	24.1
84.02171	6.4
89.02451	2.0
95.05002	2.5
97.06582	18.0
98.19936	3.5
99.04498	3.2
99.08144	5.6
101.02447	1.8
106.04303	2.2
109.06565	8.9
111.08149	1.7
113.09719	4.7
115.07648	2.2
119.08661	1.8
124.05404	1.9
125.09724	2.4
127.07650	21.5
135.08131	8.5
137.09686	4.1
139.07637	9.7
143.07137	6.9
153.09200	9.0
155.10789	2.9
157.08693	21.6
163.11237	2.4
165.09256	2.2
169.08678	26.6
178.10014	4.1
181.08682	59.3
181.12231	10.0
182.08989	3.3
183.10269	2.3
189.12996	2.0
208.07372	2.7
209.08121	2.2
209.11841	9.1
210.08945	38.4
217.15991	13.4
228.09998	3.7
235.17009	9.8
237.09764	2.1
261.14905	13.8
279.16000	100.0
280.16354	10.1
282.05334	2.6
297.13718	3.9
297.17047	64.5
297.24286	6.4
298.17422	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	298.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56832	0.3
54.63965	0.4
54.75682	0.4
57.76005	0.4
59.01366	1.9
61.98823	0.4
62.36719	0.4
64.74926	0.4
65.03931	0.4
69.65775	2.2
70.67538	0.4
71.01373	9.9
73.02929	0.5
85.02940	0.5
89.02453	1.2
93.03449	12.9
95.05037	0.4
98.19866	0.6
101.02427	0.6
113.02476	0.5
114.05602	1.3
115.00366	6.6
119.03482	0.6
119.05006	0.8
123.03259	17.5
124.03645	0.5
133.01447	2.4
135.01860	0.5
137.02438	23.5
138.05598	100.0
139.05975	3.7
139.07631	9.9
161.04601	0.4
181.14301	0.4
182.04555	1.0
183.06621	4.8
190.99754	0.4
191.07953	0.4
207.06374	0.4
215.95488	0.3
240.04185	0.5
283.02591	0.5
284.03207	6.0
299.05499	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.02709	0.3
57.03448	0.7
59.01373	2.2
70.73431	0.7
84.48560	0.4
85.21607	0.4
113.09701	2.1
115.00368	0.3
133.01486	0.4
150.34093	0.3
171.10210	0.5
177.12843	0.7
179.14423	0.9
181.12430	0.5
195.13902	17.5
196.14212	0.9
228.17560	0.4
233.22818	0.5
251.23837	0.4
271.87054	0.4
277.21722	17.2
278.22028	1.9
295.22769	100.0
296.23132	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07924	0.5
57.03440	1.1
59.01379	7.1
64.01799	0.5
68.43297	0.5
70.01971	2.6
71.01382	1.0
71.49061	0.5
72.43349	0.6
83.21685	0.5
85.04092	0.5
99.08163	0.6
113.09722	2.5
115.00356	1.7
133.01453	4.5
135.04547	0.9
171.58731	0.6
177.12823	0.7
179.03523	1.0
179.14406	1.0
183.13892	3.1
187.91591	0.6
195.13885	22.7
196.14319	1.1
196.40858	0.5
235.08192	0.7
256.91608	0.5
277.21722	17.5
278.21988	2.1
287.73022	0.7
295.22769	100.0
296.23117	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	297.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46947	1.3
57.38024	1.1
58.86391	0.9
59.01380	18.1
70.24402	2.8
71.01378	9.3
72.99323	2.4
73.02943	44.2
75.00882	1.7
83.01334	1.0
85.02934	2.5
87.00869	5.9
89.02443	7.8
91.38561	1.2
98.13675	1.0
99.00900	5.8
101.02429	4.6
105.01928	20.8
105.02580	1.7
113.02444	2.4
115.00352	3.6
117.01934	100.0
118.02242	2.6
119.03477	3.4
121.02994	7.6
133.01427	3.1
135.01871	2.7
135.02908	1.2
135.04512	3.2
135.06627	3.4
138.05588	10.2
161.00954	1.1
161.04570	1.2
179.05612	1.3
181.05048	3.8
184.99342	1.8
196.64888	1.0
199.00877	1.5
237.09883	1.6
276.06799	1.2
297.08102	3.1
297.11841	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	295.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88083	0.7
60.69880	0.6
70.84737	1.9
71.01379	12.1
72.98917	0.7
72.99303	2.7
85.21381	0.6
87.00914	0.7
89.02436	1.7
91.05518	0.7
101.36856	0.6
115.00369	33.5
116.00648	1.0
133.01425	100.0
134.01784	1.9
135.04521	11.6
136.04819	0.8
152.32019	0.6
179.03496	10.9
180.03876	1.1
232.90863	0.9
266.41492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0456
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
65.72253	0.3
70.08132	1.4
71.01376	11.0
72.99309	2.1
87.00889	0.6
89.02451	1.7
102.78922	0.3
107.05051	0.5
115.00367	30.5
133.01422	100.0
134.01790	1.5
134.03732	1.0
135.04518	11.1
136.04842	0.5
143.69733	0.4
179.03496	12.5
180.03764	0.6
203.72206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.20883	0.3
56.84448	0.3
57.03434	1.0
59.01384	2.6
61.09628	0.3
71.01346	0.5
83.04993	0.3
93.06602	0.3
97.06585	0.4
100.61781	0.3
113.09727	1.8
133.01448	0.5
165.98099	0.3
171.10219	1.2
177.12813	0.9
179.14381	1.1
181.12360	0.7
195.13884	18.0
196.14284	0.9
271.98557	0.3
277.21701	17.5
278.22009	1.8
295.22751	100.0
296.23102	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.11228	0.5
59.01377	1.2
70.17997	2.1
78.45215	0.6
80.86266	0.6
85.39077	0.5
125.09702	1.0
127.11307	0.7
141.12825	0.9
157.25938	0.6
171.10249	32.5
172.10550	1.3
195.13876	2.0
202.15381	0.6
203.45261	0.6
215.75139	0.6
259.20517	0.8
277.21686	40.6
278.22119	4.1
278.40851	0.6
295.22751	100.0
295.43756	0.6
296.23099	11.2
302.98743	0.5
314.97171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01378	9.0
69.03466	0.7
69.97826	2.3
71.01368	1.8
77.83268	0.6
99.08139	1.7
115.00335	1.9
125.09718	1.5
133.01453	4.1
139.11221	0.7
143.12975	0.7
145.43639	0.6
155.10844	0.8
155.14429	1.2
171.10255	40.2
172.10558	1.9
173.93681	0.7
179.03497	1.3
183.10213	2.2
195.13890	1.0
225.71411	0.7
236.60333	0.7
261.36099	0.7
277.21698	46.9
278.21967	4.6
295.22757	100.0
296.23126	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
54.11279	0.4
56.93898	0.4
59.01375	3.1
70.65256	1.0
70.65595	0.7
71.01366	0.8
72.99293	0.5
78.07007	0.5
83.05047	0.5
91.88947	0.5
96.96008	0.9
97.06583	0.5
98.95584	2.0
109.06580	0.6
115.00316	0.7
127.11279	1.0
129.85530	0.4
133.01442	3.0
135.04482	0.6
141.12856	10.1
141.13956	0.5
142.13138	0.8
155.14391	3.9
179.03502	0.5
247.20598	0.7
249.22206	9.6
250.22569	0.7
277.21719	0.8
295.22760	100.0
296.23093	10.1
298.37878	0.4
315.19693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26973	0.3
57.19443	0.3
59.01373	0.7
59.85137	0.3
61.98817	0.6
68.99561	0.4
70.65497	0.7
71.01370	0.4
81.03422	0.7
92.58785	0.3
92.59714	0.3
96.95996	0.4
112.98564	0.8
121.10239	0.9
131.48555	0.3
133.02919	0.5
134.03743	0.4
136.01680	0.4
149.09682	0.6
150.10426	0.4
165.12798	0.4
171.10246	1.8
181.15988	0.7
191.14403	0.6
192.11531	0.4
193.15952	0.5
205.01376	0.3
220.14687	1.3
221.15456	2.6
223.13342	0.4
225.14958	1.4
236.10474	1.5
249.22180	0.9
275.20135	3.5
276.20325	0.4
293.21191	100.0
294.18231	0.6
294.21509	10.6
310.46002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1709
Annotation	Serratanidine
Peak:m/z	Relative Intensity
53.06340	0.4
59.01376	5.8
66.03472	0.8
70.80106	1.0
71.01375	1.5
71.05016	0.9
83.05037	1.1
83.22035	0.4
85.02944	1.2
85.06589	2.5
96.95978	0.5
97.06618	0.4
109.06603	0.5
111.08137	0.4
115.00359	1.2
133.01460	3.1
134.09752	1.3
135.04459	0.8
146.09734	1.3
158.75487	0.5
162.12868	7.4
164.14433	18.5
165.14749	0.9
172.11273	1.3
190.12361	26.5
191.12723	1.5
206.15405	2.5
208.13405	29.9
209.13715	1.8
232.17033	44.7
233.17308	3.5
239.23834	0.5
250.18086	2.4
276.16025	18.7
277.16348	1.1
285.85852	0.4
294.17065	100.0
295.17410	9.2
295.66681	0.5
299.61450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0455
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
69.76929	1.3
69.77349	1.0
71.01380	8.8
72.99302	2.7
76.73597	0.5
78.18731	0.5
89.02435	1.6
89.03917	0.5
104.73663	0.5
115.00365	26.1
122.13282	0.5
126.43214	0.4
129.45699	0.5
133.01421	100.0
134.01724	2.2
134.03766	0.9
135.04515	10.1
155.35265	0.4
164.55127	0.5
179.03485	15.1
266.53409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84315	0.9
55.72966	1.0
59.01373	3.4
70.59789	3.6
78.00302	1.1
84.44888	1.0
88.17169	1.0
112.45415	0.9
114.30406	1.0
121.10220	36.3
122.10537	1.1
125.09693	2.1
127.11240	1.2
130.59114	1.0
153.29619	1.1
171.10249	74.6
172.10541	3.2
173.54425	1.2
174.77502	1.0
183.10306	1.2
183.13913	2.7
185.11790	3.0
212.22144	1.0
231.21088	5.8
235.16913	1.4
265.31613	1.1
275.20123	100.0
276.20560	7.8
293.21188	65.1
294.21527	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71631	0.4
51.77981	0.5
56.36197	0.4
57.03433	1.3
57.80879	0.4
69.66328	2.5
79.55769	0.4
97.06592	1.0
123.08076	0.5
125.09711	4.6
141.12807	1.4
149.09695	2.0
185.11809	10.9
197.11803	2.9
198.12279	0.5
249.22339	1.1
262.48328	0.4
270.69678	0.4
272.68277	0.5
275.20078	0.8
293.21198	100.0
294.21545	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	293.2121
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03442	0.4
59.01365	0.3
61.98818	0.6
63.85903	0.2
69.03437	0.7
71.01366	0.3
71.27981	0.2
71.51471	0.2
72.99299	0.8
78.52318	0.2
79.84998	0.2
81.19063	0.2
83.05007	0.7
84.02141	0.3
85.06561	0.3
96.95991	0.8
97.06585	0.6
99.08160	0.3
109.06590	0.5
111.08120	0.4
113.09741	0.5
121.10272	0.3
123.08179	0.3
123.61790	0.3
125.09720	0.7
127.11277	0.4
133.02921	0.3
135.11726	0.3
139.11284	2.9
140.11650	0.3
153.12865	1.9
177.01927	0.3
189.16354	0.4
189.61302	0.2
191.18033	3.4
192.11537	0.4
192.18463	0.4
193.15984	0.4
220.14626	1.6
221.15443	2.7
224.14139	0.7
229.19537	0.4
236.10522	2.0
245.19075	0.7
247.20685	2.8
248.20967	0.4
250.37975	0.2
275.20108	0.9
291.19638	0.4
293.21194	100.0
294.21552	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02502	0.6
53.74319	0.6
54.57117	0.6
59.01354	0.7
60.98682	0.7
63.51999	0.6
64.09125	0.7
71.27537	1.1
79.14278	0.6
91.97127	0.6
121.10189	0.7
134.74440	0.7
179.14383	1.3
189.57220	0.8
195.13895	10.9
196.14424	1.3
205.12268	1.0
223.13387	10.5
228.13647	2.0
256.13162	5.2
257.13522	1.1
272.63367	0.8
275.20129	7.7
276.20468	1.0
293.21204	100.0
294.21561	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.6
59.01366	2.4
70.65108	0.9
70.65450	0.8
83.05025	0.7
86.40166	0.5
97.06574	0.7
109.06637	0.7
113.09720	19.3
114.10006	0.7
121.10203	1.7
139.11272	1.9
167.10785	1.8
171.10255	5.5
177.12901	1.0
179.10767	2.5
188.96291	0.5
195.13853	2.4
229.11569	0.6
231.21207	1.0
249.22241	1.6
275.20135	8.7
276.20532	0.9
293.21204	100.0
294.21542	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96049	0.2
69.47010	0.5
69.47413	1.2
71.01380	7.9
96.96004	0.2
98.19904	0.3
112.98544	0.3
127.07601	0.6
148.05276	1.0
151.07663	0.6
155.99002	0.2
164.08403	1.1
177.09189	4.9
190.09987	0.3
192.11540	6.2
193.12048	0.5
205.12315	6.7
206.12740	0.4
207.13872	1.0
208.60884	0.2
217.08650	0.3
218.09427	1.7
220.14658	46.3
220.44774	0.2
221.15430	100.0
222.15775	7.9
235.13396	0.9
236.10510	69.2
237.10890	5.3
275.19876	0.3
293.14294	0.4
293.17603	11.7
293.21109	1.3
294.17831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.37256	0.6
54.87913	0.5
61.17888	0.5
77.49389	0.5
79.95733	1.4
88.65015	0.6
95.95241	0.6
96.96005	65.1
110.13936	0.5
123.78073	0.5
125.09718	1.1
127.11310	1.6
139.11290	11.3
153.09230	2.1
171.10255	43.9
172.10612	2.4
207.57338	0.6
220.14531	0.6
221.15402	1.8
236.10553	1.6
265.21722	1.5
266.50061	0.6
273.34311	0.6
275.20215	0.8
293.17920	53.1
293.21228	100.0
294.18240	4.6
294.21548	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	291.2329
Annotation	Grevillol
Peak:m/z	Relative Intensity
51.99680	0.7
55.43732	0.5
57.20998	0.5
59.01371	0.8
61.98824	4.2
67.72398	0.5
69.34882	0.5
71.51427	0.6
73.57955	0.5
87.60504	0.5
93.03985	0.6
145.42734	0.6
179.65321	0.8
185.23843	0.6
209.01067	0.7
291.09058	18.1
291.23273	100.0
292.09082	2.1
292.23633	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
68.25671	0.6
71.01347	0.8
71.51923	1.0
112.98567	0.9
121.02892	0.6
133.02963	1.0
156.13925	100.0
157.14278	4.3
200.12914	5.6
220.14658	3.8
221.15475	6.7
236.10451	5.4
275.19974	0.8
292.19937	6.8
293.17862	1.2
293.21219	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	292.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56009	1.1
57.03426	1.6
59.01372	7.5
69.42297	1.2
71.01366	3.3
71.50907	1.9
85.62691	1.0
131.22992	1.2
156.13927	100.0
157.14270	3.3
166.13123	1.3
200.12918	4.9
218.09380	1.7
220.14522	6.0
221.15482	11.0
236.10507	9.7
254.17149	1.3
264.20483	2.1
292.20007	44.7
293.14139	1.7
293.17801	1.9
293.21136	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34287	0.5
52.26957	0.5
53.21456	0.5
54.21072	0.5
55.01865	0.9
58.00578	1.7
59.01375	35.7
60.01714	0.5
60.60608	0.5
70.84918	1.2
71.01378	19.9
72.99308	0.8
73.02937	1.3
74.88960	0.4
83.01389	0.8
84.98641	0.5
85.02954	4.1
85.06580	11.8
87.00854	1.0
89.02438	18.9
95.01357	1.3
101.02438	12.5
105.03465	0.9
105.09413	0.5
113.02451	6.0
113.06090	4.2
115.00317	1.7
115.07635	2.0
116.14304	0.6
119.03487	7.5
127.07633	1.9
131.07132	49.8
132.07462	1.9
133.01410	1.3
133.02962	5.7
135.04503	2.2
139.82402	0.6
143.03514	0.8
149.04503	0.6
173.08162	1.6
177.01906	2.2
179.03453	1.2
179.05600	0.7
202.06459	0.5
231.10179	0.8
249.11301	0.8
293.12402	100.0
294.12738	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77414	0.5
57.03430	1.8
69.03377	0.4
70.36376	1.5
93.07082	1.1
95.16872	0.5
97.06577	1.8
98.20600	0.7
121.10226	13.7
122.10515	0.6
123.08118	0.6
125.09721	5.9
127.07684	0.6
141.12901	1.2
147.08163	1.0
179.51927	0.5
185.10233	1.0
185.11823	13.7
186.12109	1.2
197.11838	3.4
209.11795	1.1
211.13376	2.0
223.13321	0.7
247.13275	0.8
247.20773	0.7
273.18634	1.2
291.19635	100.0
292.19965	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04754	0.3
54.96136	0.3
57.03444	1.8
59.01360	1.1
61.98813	0.4
69.03459	0.5
71.05042	0.4
71.51436	0.4
83.05000	0.4
83.30181	0.2
93.03424	0.3
93.07088	0.9
95.05016	0.5
97.06580	1.6
111.08165	3.0
121.10229	11.0
122.10568	0.6
123.08152	1.1
125.08836	0.4
125.09724	5.7
137.09695	0.3
139.11247	0.5
141.12840	1.3
147.08176	0.8
149.09651	0.3
165.12805	0.6
167.10783	0.4
167.14236	0.2
177.12802	0.6
179.10733	0.5
185.11812	11.5
186.12160	0.7
195.13907	1.5
197.11789	2.5
209.11809	1.0
211.13342	1.4
213.13034	0.3
223.13371	1.2
239.91515	0.2
247.13451	0.4
247.20601	1.1
255.17944	0.2
263.20297	0.4
271.88278	0.3
273.18698	1.2
289.17758	0.4
291.19635	100.0
292.19977	10.0
303.68228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01378	2.7
71.04998	1.3
71.42792	0.9
83.04990	1.0
93.03451	0.6
95.05028	1.1
97.06631	0.8
98.77676	0.5
109.06612	0.8
111.08164	12.0
112.08515	0.7
113.09673	0.5
119.23245	0.5
135.11751	0.9
137.09714	1.1
149.09605	0.6
164.94287	0.5
167.10747	2.1
177.12843	2.3
179.10760	2.1
195.13898	9.3
247.20525	2.7
273.18564	1.7
291.19647	100.0
292.19980	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	291.1965
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
57.03463	0.6
59.01348	0.5
61.98818	1.6
70.73082	1.4
71.01363	0.9
73.57324	0.5
85.09725	0.5
88.32096	0.5
111.08208	0.6
125.09756	0.7
127.11293	2.2
137.09717	3.9
153.09172	1.1
171.10254	100.0
172.10591	5.3
180.08868	0.5
229.19487	0.8
260.60208	0.6
263.20114	2.2
273.18668	1.2
291.19659	16.2
292.20038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.37130	0.3
59.01356	0.7
69.37086	1.9
80.02724	0.3
83.16579	0.3
91.42037	0.3
92.03698	0.3
95.05017	0.3
99.35679	0.3
102.11655	0.3
106.04239	0.3
112.15842	0.2
119.05026	0.6
125.06064	0.8
127.11327	0.4
139.19713	0.3
140.82574	0.3
142.79124	0.3
148.08942	1.6
149.09705	0.4
150.10477	1.2
151.11273	0.5
163.11256	1.6
165.12833	22.2
166.13167	1.3
175.11157	0.5
176.11987	1.0
177.12822	0.5
178.52953	0.3
179.14343	0.3
191.14345	0.7
217.15921	0.6
225.84148	0.3
247.20645	11.0
248.20979	1.0
263.19891	0.4
273.18591	6.7
291.19635	100.0
292.19971	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30656	0.6
56.28368	0.8
57.03449	0.9
59.01377	100.0
60.01727	1.3
71.01379	6.7
71.51110	0.8
73.02950	2.3
78.54203	0.6
80.96552	0.6
83.01356	1.5
85.02928	3.6
87.00894	0.9
87.46233	0.7
95.01390	1.0
97.06564	1.2
99.00897	1.0
100.04047	0.7
100.82484	0.6
101.02433	5.6
101.92285	0.6
113.02457	1.8
115.00388	0.7
118.06652	1.4
120.99683	1.5
121.03012	0.8
134.03754	0.7
135.04521	1.5
136.72270	0.7
146.03825	0.9
147.04535	1.0
150.03200	0.7
159.03247	0.8
159.04477	3.8
159.08163	1.7
161.03462	1.4
161.04588	2.4
162.03922	2.9
172.05302	1.1
173.02443	1.1
173.06059	1.2
173.11819	1.5
174.03235	2.5
175.07616	6.8
175.12357	1.7
179.03479	0.8
185.06122	1.8
188.04865	0.7
200.04724	1.0
200.08467	0.7
201.09222	2.0
203.07083	4.1
229.08562	3.5
247.09818	1.0
248.09406	1.5
249.13409	8.3
291.05563	1.3
291.08838	4.3
297.93997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1813
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00594	1.5
59.01377	100.0
60.01722	0.7
68.02260	0.5
68.07163	0.6
70.26681	1.7
71.01380	2.3
71.05068	0.7
73.02968	0.6
80.05067	0.7
81.03460	0.7
83.05009	3.6
84.02186	1.2
84.25358	0.5
85.02945	34.6
93.40434	0.6
99.08173	0.9
101.02407	1.1
101.04295	0.9
115.00343	0.8
124.03335	0.7
127.11260	4.8
155.10764	2.8
157.12326	10.3
159.04518	2.2
161.01012	2.9
161.04561	0.6
161.07239	1.3
163.04027	1.1
167.20195	0.6
174.03256	0.9
175.03969	0.7
175.07597	2.5
185.11810	1.9
187.13374	33.3
188.13713	2.1
189.06808	0.9
193.15962	0.7
195.13885	10.9
196.14236	0.8
200.04770	1.9
201.09247	0.7
201.14966	0.7
203.07164	0.9
203.11078	0.7
211.17017	3.6
218.98106	0.6
229.08664	2.2
231.02975	0.8
238.68997	0.7
247.09726	1.0
249.02347	0.7
249.13370	1.5
255.16013	1.8
273.16956	1.8
273.56693	0.8
291.08997	3.1
291.18109	57.7
292.18469	4.0
313.58032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1086
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01873	5.5
57.03437	6.4
58.00598	6.3
59.01378	100.0
61.98827	6.5
67.05527	2.7
69.02975	1.7
69.03455	2.6
70.54762	4.6
71.01382	91.9
71.12877	1.8
72.99313	9.4
73.02946	19.8
73.04062	2.7
75.00851	2.3
83.01373	14.1
85.02947	37.0
87.00864	7.4
89.02443	67.8
95.01392	5.5
96.96016	2.7
97.02962	1.8
99.00892	8.9
101.02437	79.6
101.03120	4.1
110.28818	1.7
111.04526	4.5
113.02447	41.3
117.05602	2.8
119.03512	28.1
119.05004	11.4
127.05167	3.8
129.05573	5.4
131.03500	3.2
143.03481	4.5
144.07658	2.1
145.01414	4.5
148.72479	2.0
149.04568	2.2
159.02969	4.0
161.04572	19.0
163.04010	8.4
164.07106	3.3
173.04517	8.1
173.05908	2.2
179.05637	4.1
181.01410	3.7
196.03743	8.0
201.07591	2.0
211.06029	8.8
228.19702	1.9
247.11848	24.7
291.01550	2.4
291.10938	44.3
291.19577	2.2
292.13095	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03426	0.5
59.01376	100.0
60.01716	1.4
71.01381	5.4
71.50947	0.6
73.02955	1.8
77.11166	0.4
79.95790	0.5
83.01381	1.1
85.02956	1.9
97.06593	0.5
99.00863	0.9
101.02431	5.2
107.72998	0.4
113.02398	2.1
115.00378	0.8
121.02975	0.5
135.04495	0.6
146.03766	1.1
149.02431	0.6
150.03188	0.7
159.04474	2.4
160.97803	0.4
161.04588	1.9
172.05305	0.4
173.02464	1.0
173.06133	0.6
174.03270	1.9
175.07584	3.9
185.06110	1.0
189.32869	0.5
200.04855	0.9
201.09232	0.6
203.07242	1.9
229.08755	2.0
247.09743	0.8
249.13417	8.6
250.13763	0.8
260.51001	0.4
291.08838	2.0
291.14587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
59.01366	2.6
61.98817	1.2
69.44202	4.4
71.01379	21.5
73.02942	78.0
74.03293	1.5
85.02946	1.2
94.48486	0.6
95.65974	0.8
99.00874	4.4
101.02432	1.4
102.98587	4.5
113.02437	0.8
113.09731	3.6
115.00366	16.4
115.47419	0.6
117.01972	0.8
120.99639	0.8
133.01418	2.7
133.42514	0.7
135.04524	0.8
137.07080	0.6
173.11813	100.0
174.12154	4.6
188.45692	0.7
239.12871	1.2
289.13181	1.2
289.18039	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73630	0.9
57.04006	0.8
58.89647	0.9
59.01355	1.1
61.98830	100.0
69.22565	7.3
78.00471	0.9
96.96013	16.1
99.84949	0.9
155.12871	0.8
178.02740	1.8
291.09167	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	291.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86064	1.1
59.01367	11.0
65.11348	1.4
68.99568	5.8
69.72222	7.6
71.01379	13.0
71.14409	1.2
72.99272	2.7
73.02939	48.8
74.03291	1.5
75.00909	1.4
78.95898	19.2
85.02946	3.6
89.02456	5.2
90.55939	1.1
96.96001	2.8
99.00873	7.8
101.02431	8.6
110.98529	19.1
112.98567	7.8
113.02435	3.1
115.00397	3.7
116.92868	1.7
117.01933	100.0
117.05560	1.6
118.02241	2.4
119.03477	2.8
120.99644	2.0
133.01411	7.3
142.99858	3.9
145.01413	8.2
152.04749	1.3
167.01712	1.7
175.09773	3.0
188.97121	1.5
211.00743	2.0
211.06114	3.4
213.14520	1.3
291.01660	2.7
291.10809	2.4
297.75931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0829
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
58.02975	19.1
59.01377	8.0
60.38572	3.5
61.43152	2.8
65.48102	3.4
69.14229	30.4
70.02970	11.8
70.16539	2.5
71.01373	17.5
72.00912	5.3
72.04536	2.9
73.33073	2.9
74.02469	81.7
91.79015	2.5
98.02464	22.3
102.98600	3.1
108.62216	3.2
112.49471	2.6
113.75436	2.5
115.00352	10.9
116.03539	25.3
116.05055	36.7
130.06630	3.8
142.06628	6.8
159.02699	4.5
159.09285	9.3
171.10268	3.8
173.10469	4.8
173.11821	54.9
174.12245	4.9
201.10316	6.1
203.08238	82.5
213.09174	5.3
215.90892	3.2
245.09294	100.0
246.09650	9.4
289.07346	4.4
289.10706	4.2
289.16306	6.5
306.91516	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	289.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03050	0.4
57.03444	2.2
57.39690	0.4
59.01376	6.0
69.12857	1.7
69.13283	2.0
71.01375	10.6
83.05021	6.5
85.02945	1.3
87.00880	0.4
88.49426	0.4
109.06601	1.2
111.08149	52.8
112.08500	1.3
115.00362	7.4
121.49638	0.3
129.09212	3.2
133.01451	0.9
134.92334	0.3
143.10768	0.5
149.87334	0.4
155.07126	0.8
161.51202	0.3
173.08168	100.0
174.08476	3.6
183.04507	1.0
208.99127	0.5
213.09274	2.1
219.71335	0.4
279.24786	0.3
289.16394	2.4
304.99329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26842	0.4
53.46214	0.4
59.01357	1.0
62.52602	0.5
70.17393	1.5
71.01379	39.3
73.81824	0.4
96.96019	1.1
99.76024	0.4
102.98602	0.7
115.00372	10.0
127.11264	3.3
133.01447	1.2
134.84991	0.4
155.10783	1.2
159.08540	0.5
161.03552	0.5
171.10342	1.0
173.11812	100.0
174.12144	4.1
183.04565	0.6
213.09239	0.7
224.74664	0.4
240.67181	0.4
260.50732	0.5
289.12799	0.7
289.16174	0.5
296.86002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21000	0.3
59.01374	6.6
60.01712	0.6
61.01790	0.9
71.01377	20.6
71.51537	0.3
72.01693	0.4
74.99087	0.3
81.00600	0.4
85.02952	1.0
86.53671	0.3
97.06565	0.4
109.06509	0.4
110.09233	0.3
113.09736	1.6
115.00365	12.2
124.22662	0.3
127.11278	2.6
131.03459	0.4
133.01439	0.5
155.10782	0.4
159.08437	0.5
161.03560	5.8
171.10258	0.7
173.11810	100.0
174.12172	4.1
183.04510	0.7
202.06303	0.4
213.09180	1.2
227.12918	0.6
227.16273	0.4
229.13239	1.6
234.64764	0.3
271.14548	0.5
289.12671	0.8
289.15588	5.2
290.16580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0764
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01375	7.7
70.82228	0.8
73.77293	0.4
74.02462	0.3
76.28364	0.3
79.29640	0.3
82.06603	0.4
90.97130	1.5
91.60201	0.3
130.08727	100.0
131.02045	0.4
131.09076	2.8
132.98242	1.0
141.98210	1.1
142.96581	0.7
150.23390	0.4
160.97659	1.3
172.97672	0.6
174.99211	0.7
184.97650	0.7
187.98755	0.6
202.98775	0.4
244.05026	3.2
244.13014	0.6
246.06499	3.0
282.75095	0.4
288.07617	64.1
289.07886	3.3
290.99194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13129	0.7
57.03460	0.8
59.01383	7.1
61.98827	100.0
65.82909	0.7
65.99171	0.6
69.63712	3.6
71.01380	7.7
72.99306	0.8
73.71642	0.8
74.02439	0.7
83.51810	0.7
87.00904	0.9
99.92617	1.0
101.02429	0.9
109.06564	1.1
111.08177	3.2
113.06092	2.6
114.95842	0.7
115.00400	1.9
121.06583	2.9
123.49957	0.7
125.06097	1.2
128.08000	1.0
130.08755	1.5
133.01498	1.6
135.04430	0.7
139.07668	7.6
151.07643	1.9
157.08757	2.2
169.08725	0.9
171.06679	1.2
172.07120	1.3
173.08177	8.7
179.03490	1.3
183.31906	0.7
200.07295	0.9
208.00740	1.8
213.09131	1.2
228.09064	1.0
271.10992	2.3
289.04044	0.9
289.07043	0.9
289.12912	0.9
289.16620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.83185	0.5
59.01381	1.9
65.03985	0.6
69.63354	0.5
81.03457	1.1
83.75045	0.5
92.05051	0.9
93.03463	1.3
99.92577	1.5
101.77410	0.5
104.99250	0.5
106.03119	0.5
108.02163	0.6
108.04562	4.1
109.02930	4.7
119.08652	2.2
124.01651	0.9
124.25341	0.5
134.02477	36.3
135.03284	7.2
136.04039	34.3
137.02443	1.8
137.04411	1.4
148.04089	0.9
149.04816	1.1
154.85574	0.5
176.03499	4.9
181.03825	0.7
190.05086	0.9
211.03017	0.4
231.54602	0.6
288.16037	100.0
289.16125	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	289.005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
69.86932	2.0
71.01378	7.0
71.49655	2.8
72.99297	44.3
74.99373	6.4
76.96494	3.5
78.95906	5.4
83.40907	2.3
85.02950	9.8
87.00871	6.6
92.95979	7.2
93.03442	4.3
111.04473	2.4
114.98879	47.2
115.00344	4.1
117.00436	4.9
126.98814	2.8
129.01842	2.7
129.54880	2.4
133.01395	14.5
142.96603	8.9
148.94945	31.0
156.99860	3.4
159.70378	2.4
172.99405	52.1
173.04565	7.2
184.97774	13.4
184.99318	3.6
186.97314	100.0
187.97481	7.6
190.96030	34.4
191.05595	95.0
192.05925	4.9
202.98695	10.8
215.00467	40.1
216.00581	3.2
228.91476	2.8
228.98370	94.2
229.98547	6.5
289.00351	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03448	1.0
59.01376	96.1
59.29052	0.1
60.01711	0.8
60.99322	0.5
62.96409	0.1
70.99538	0.2
70.99882	0.2
71.01383	0.8
71.05022	0.2
73.02942	0.4
81.31525	0.1
83.05029	0.3
83.44884	0.1
95.05013	0.3
97.06583	0.7
99.04514	2.4
109.06608	0.4
115.00391	0.2
115.04014	0.1
135.04500	0.1
141.09171	0.2
153.09267	0.2
154.12175	0.1
155.10806	0.3
163.11241	0.2
165.12854	2.1
167.10820	0.7
171.10258	2.0
172.23087	0.1
181.12381	0.2
183.13885	0.3
189.12801	0.3
207.12025	0.2
207.13893	3.1
208.14214	0.2
209.11813	8.1
210.12119	0.4
225.14946	5.6
226.15283	0.5
227.12865	52.0
228.13199	3.3
242.40105	0.1
243.07979	0.2
243.16074	0.2
251.12860	1.8
252.13351	0.2
269.13916	15.7
270.14227	1.1
287.14975	100.0
288.15320	7.9
288.18683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46266	0.8
54.86768	0.7
59.01376	100.0
60.40447	0.6
60.70033	0.8
60.99285	0.8
62.57713	0.7
66.15260	0.7
66.87011	0.7
71.01378	4.8
71.51241	0.9
74.66197	0.7
87.11971	0.8
98.13633	0.7
99.04535	3.0
111.03065	0.8
115.00388	1.6
125.09685	1.3
126.88588	0.7
133.01410	0.8
135.04533	1.3
135.68164	0.7
155.10765	3.9
165.12831	1.6
167.10756	0.7
171.06644	0.8
171.10251	10.7
199.09785	3.2
207.13974	3.5
209.11818	7.9
225.11452	0.7
225.14951	6.2
227.12859	48.5
228.13171	3.2
243.15906	1.0
251.12811	3.4
261.53592	0.9
269.13910	16.5
270.14252	1.5
287.14978	99.5
288.15344	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	287.2226
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03433	0.3
59.01374	1.1
69.71404	1.3
73.41457	0.2
78.95887	0.3
90.07339	0.2
94.59454	0.3
95.73699	0.2
99.08135	0.4
99.92565	0.4
101.02465	0.3
106.73450	0.3
113.09729	1.7
125.09706	0.3
127.11249	1.8
141.12820	0.9
143.10771	0.5
155.08978	0.8
155.14294	0.3
163.78763	0.3
169.10536	0.4
199.07961	0.4
199.11566	0.7
211.20595	0.3
223.20578	0.3
227.16429	0.4
239.20117	0.7
240.66702	0.3
241.21721	2.1
243.17598	0.5
269.21136	2.3
285.20746	1.3
287.22244	100.0
288.22604	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	287.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
57.69819	0.5
59.01372	5.7
66.91635	0.6
71.01379	15.7
71.05001	0.7
72.99306	0.7
73.02944	1.1
83.05032	0.9
85.02939	1.2
87.04480	0.6
95.05009	0.7
97.06583	1.3
98.20776	1.2
109.06589	7.4
110.53307	0.6
111.08124	0.6
111.25658	0.6
113.02400	0.8
115.00374	12.4
115.04016	1.3
119.05045	0.7
120.58482	0.5
123.08096	0.7
127.07645	100.0
128.07944	3.4
129.05499	0.6
133.01430	9.3
135.04495	0.8
135.08089	0.6
141.09116	0.6
151.07593	1.2
155.07054	0.8
169.08681	1.7
171.06613	80.7
171.10216	6.4
172.06969	3.1
185.01315	0.7
227.02313	1.0
244.09760	0.7
245.03242	0.8
269.13779	0.8
287.10291	1.2
287.12048	0.8
287.14987	8.8
303.87366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.2
61.98816	19.6
70.50465	42.5
70.50798	32.3
71.01382	41.1
78.85512	17.8
81.36725	18.5
90.10668	17.8
96.51597	18.0
98.19951	20.4
109.85869	19.6
116.07091	18.4
125.02435	23.1
127.07645	100.0
129.01897	31.4
133.01367	24.6
135.28369	17.1
140.40842	17.9
171.06631	97.9
171.10194	38.5
287.09204	23.2
288.07574	19.7
288.15402	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07165	0.3
57.03440	1.6
59.01378	30.7
66.10612	0.3
71.01379	21.7
71.52175	0.5
72.01701	0.5
74.02482	0.8
80.24227	0.3
85.02934	0.4
87.00890	0.4
97.06612	0.5
99.04527	0.5
109.06559	0.5
111.08157	9.8
112.08495	0.6
115.00368	15.2
123.00923	0.4
127.11276	2.7
129.10362	0.4
135.04526	0.4
139.07527	0.3
153.09209	14.9
154.09518	0.6
165.12769	0.6
171.10255	100.0
172.10608	4.9
207.13893	1.2
209.11821	2.7
210.12099	0.4
225.14932	2.1
227.12854	14.5
228.13176	0.9
269.13892	4.2
287.11642	1.4
287.14963	30.9
288.15326	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	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27247	0.7
54.04034	0.8
59.01379	11.3
60.57935	0.8
63.51245	0.8
66.28033	0.8
69.65380	1.8
69.65791	2.7
70.27636	0.7
71.01377	50.5
72.01716	1.4
72.99306	2.4
73.02934	1.1
73.59090	0.7
75.80877	0.7
76.18697	0.9
78.88890	0.8
89.02449	1.0
113.04311	1.8
115.00362	33.0
127.11288	5.7
133.01419	35.8
134.01727	1.4
157.03238	1.8
171.10255	100.0
172.10606	3.6
198.59221	1.0
207.14020	1.3
227.12842	3.3
269.13828	2.1
287.11890	1.6
287.14966	14.3
302.20374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65445	0.8
55.79403	0.8
57.03431	1.4
59.01375	20.6
67.73899	1.1
68.88728	0.9
69.04520	0.9
71.01388	2.7
94.21561	0.8
96.96007	1.2
97.06576	1.1
120.99655	3.4
151.11255	2.8
152.30183	1.0
155.08980	1.1
155.14246	1.1
156.98839	7.1
165.12827	19.7
166.13220	1.2
169.12341	27.5
170.12723	1.9
171.10262	1.6
181.12363	1.8
183.13882	86.7
184.14267	5.5
185.11906	1.1
195.10143	1.6
199.11514	1.2
199.13382	23.4
209.11934	1.1
213.11308	4.9
227.12862	48.1
228.13145	3.0
245.00493	1.1
245.13908	100.0
246.14136	5.8
264.55173	0.9
287.14972	38.3
287.18301	1.9
287.21970	7.9
288.15338	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	287.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
59.01374	4.4
61.98831	3.6
68.99567	70.0
69.03467	1.6
71.01382	15.5
72.99300	2.0
75.00861	1.2
79.99059	2.6
80.99831	2.4
83.01408	4.5
85.02956	3.7
87.00900	1.7
93.03458	1.3
95.01432	1.8
96.99331	2.8
98.20628	2.3
99.00880	30.2
109.28618	1.3
111.00926	6.6
111.01984	2.7
112.98583	100.0
113.02474	2.8
113.99010	1.5
115.00365	7.1
117.00419	3.1
124.98743	3.3
127.00393	4.6
127.07642	10.9
129.01942	1.4
130.99852	1.6
131.02039	4.5
133.01451	5.4
139.00398	1.8
140.98373	1.5
141.00357	1.3
142.99846	33.0
154.99847	2.5
156.99965	1.4
168.97792	5.4
171.06598	13.6
171.10220	7.9
173.00865	9.8
198.98825	10.4
215.01959	3.8
227.00514	2.7
227.64044	1.2
240.99852	4.9
259.00989	3.9
287.00281	2.5
308.84985	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
50.37236	0.4
57.03446	15.5
59.01379	4.0
59.59917	0.5
63.02406	4.8
65.00326	8.2
65.03938	0.5
65.48830	0.5
68.13218	0.5
68.99821	0.7
71.01376	7.2
71.51836	0.6
73.02943	9.7
81.03446	3.8
83.01378	11.8
85.06642	0.6
93.03433	2.5
95.01382	1.0
96.96015	7.0
107.01382	6.5
107.05051	0.9
108.89285	0.5
109.02940	2.2
111.00890	1.1
115.00380	4.1
121.02946	1.4
123.00825	1.0
123.04541	2.7
124.01664	3.1
125.02441	100.0
126.02807	3.0
130.04216	0.9
131.05025	2.3
133.01416	1.0
133.02979	3.3
134.03735	1.6
135.04532	2.9
139.00417	0.8
143.05080	0.6
145.02873	0.9
149.02483	0.6
149.06076	1.4
151.00349	13.2
152.01154	9.8
153.01947	2.8
156.05821	1.0
157.06555	3.1
158.03674	1.2
159.04495	1.7
165.01952	0.6
169.01401	0.9
171.04509	1.0
171.10258	21.2
172.05307	1.6
172.10619	0.8
173.06081	5.8
175.04095	0.8
177.05547	15.4
178.05881	0.6
178.99840	7.6
183.02090	0.6
185.11810	1.3
187.07623	0.7
195.10390	0.8
197.11812	10.4
199.04028	0.8
199.07602	2.3
200.04814	0.6
201.05566	10.1
203.03539	1.7
213.05582	1.7
213.11304	1.3
215.07130	5.5
219.06598	2.2
225.05542	0.8
227.12862	1.7
241.05104	2.1
243.06601	14.2
244.06940	1.1
259.06079	76.4
260.06421	5.7
269.04535	3.2
287.05612	57.9
287.14920	4.7
287.18451	1.4
288.05896	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	285.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
59.01369	5.2
61.58791	0.5
61.98812	1.3
65.03934	1.1
71.01377	65.0
71.52068	0.7
72.01707	1.7
72.99288	1.5
78.98810	0.5
83.05013	1.2
93.03444	1.2
93.07085	0.9
96.95987	1.3
109.02948	0.7
109.06551	0.7
113.96139	0.7
115.00365	17.4
126.26878	0.8
130.08730	0.7
133.01396	2.3
139.99353	3.0
148.48782	0.6
155.01680	3.3
155.24590	0.6
169.08681	100.0
170.08989	4.5
217.46713	0.8
228.03926	1.0
241.54102	0.6
284.26746	1.7
285.03998	5.2
285.09430	1.0
285.13467	2.2
285.17004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58203	0.6
57.03440	0.7
58.00600	2.1
59.01377	100.0
59.28499	0.7
60.01719	1.0
61.98831	6.1
71.01379	33.4
71.20142	0.9
72.99311	1.8
73.02937	0.8
77.09032	0.6
83.01405	0.8
83.05057	2.4
85.02947	4.5
87.00899	1.7
89.02441	43.0
95.01402	1.9
98.16817	0.6
101.02436	12.0
101.03098	0.7
110.06141	1.0
111.04585	0.7
113.02457	12.8
113.03261	0.7
115.00375	1.7
119.03498	14.2
119.04996	3.4
120.99654	6.9
123.04545	0.8
125.06104	1.8
131.03554	1.8
133.01428	1.7
138.05597	1.1
143.03549	2.4
149.04585	2.0
161.04585	3.6
169.05090	1.7
169.08693	3.7
179.05608	10.1
201.07764	1.1
223.84810	0.7
225.16078	8.2
225.18115	0.8
225.51479	0.6
253.81129	0.6
284.26877	1.9
285.04358	2.8
285.10013	0.7
285.13367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.97899	0.4
59.01371	1.2
61.98825	0.7
69.43633	0.7
69.44038	1.5
70.02961	0.8
74.06106	1.7
98.20698	0.7
112.04137	0.4
117.07124	3.0
118.05085	1.0
120.72824	0.3
146.25230	0.3
151.43059	0.4
240.23306	3.2
242.21227	1.7
268.22754	0.6
284.22226	0.7
286.23853	100.0
287.16696	2.1
287.24228	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	284.125
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
58.02955	1.0
59.01374	2.8
60.70141	0.8
61.98830	4.4
68.44324	0.8
70.97558	1.0
70.97900	1.7
71.01364	1.2
74.36932	0.9
82.02958	2.0
83.06145	7.8
84.04540	2.4
101.07204	2.0
109.04060	2.4
109.30162	1.0
111.05658	1.5
113.07207	54.2
113.39178	0.7
114.05580	2.0
114.07542	1.5
120.04494	1.3
120.99636	1.3
126.01981	1.0
127.05128	18.9
128.03511	4.2
138.05579	1.7
139.08748	3.4
145.06158	5.7
151.02589	3.5
152.02995	2.3
152.08255	1.6
152.91800	1.1
153.10332	1.8
154.06175	2.3
155.08200	2.3
156.06609	1.3
158.43604	0.8
164.03404	0.8
176.75049	0.8
178.09822	1.2
180.11414	82.3
181.09825	1.9
181.11734	3.3
198.12460	70.7
199.12758	4.1
206.09297	2.4
209.46051	0.7
222.12436	0.9
224.10370	14.4
233.40726	0.9
240.13498	3.2
242.11429	5.2
243.11635	0.9
256.01370	1.0
266.11432	42.7
267.11887	1.9
284.12494	100.0
284.26727	8.8
285.12885	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	285.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99609	0.8
59.01368	3.6
69.18937	7.5
71.01380	15.6
81.05079	0.7
85.02938	1.3
93.07094	3.0
95.05003	2.2
102.02280	0.7
102.98642	0.8
109.01170	2.9
115.00360	3.1
119.08635	1.7
120.99592	0.8
121.02931	1.0
124.03515	0.9
133.01405	3.1
133.02957	2.1
134.03702	2.7
135.04517	15.3
136.04828	1.5
136.91890	0.8
137.02438	1.7
137.09727	1.8
153.07425	76.0
154.07768	5.1
156.55658	0.7
163.07632	4.8
169.86372	0.9
172.73369	0.7
178.02576	1.7
179.03484	16.8
180.03815	1.2
181.08702	1.4
197.06395	100.0
198.06726	5.3
205.94119	0.8
209.95589	0.7
211.13338	12.2
212.13527	0.7
235.77675	0.8
241.09033	2.9
284.26743	3.3
285.04050	1.4
285.07953	3.7
285.20663	2.6
285.26953	1.5
309.94446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.99307	1.2
58.99603	23.4
59.01376	26.9
60.22407	0.5
60.48159	0.6
61.98820	1.2
67.03148	0.6
69.56815	1.1
69.57211	2.0
71.01380	21.4
72.01720	0.9
72.99314	1.0
73.02937	2.7
75.00868	1.5
77.26545	0.6
83.01374	1.2
83.05041	0.8
85.02954	5.2
85.67416	0.5
87.00874	13.0
89.02447	6.7
90.93070	0.5
95.01403	1.3
96.61235	0.6
96.96015	5.0
99.00875	1.4
99.04519	1.1
101.02428	6.3
102.98592	100.0
103.98960	1.2
109.01167	1.0
113.02444	4.0
115.00346	2.6
115.04100	0.8
119.03502	1.3
121.05090	0.6
133.01384	0.9
135.04512	0.8
139.03064	0.6
153.00204	0.7
153.03726	0.7
155.10754	1.0
156.11079	1.2
157.16948	0.6
159.02985	1.1
161.04565	6.7
167.07106	0.8
175.04047	0.6
179.03441	1.1
179.05545	0.9
199.09724	0.7
205.07076	1.3
209.11803	7.5
239.12799	1.3
249.06137	5.2
268.03876	1.0
283.01767	1.0
283.04904	22.8
283.11716	2.0
283.15494	3.2
283.26404	32.2
301.05084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	1.3
61.98827	0.7
68.45500	0.5
71.01385	5.0
71.27838	1.3
75.00876	1.8
83.42426	0.6
85.02960	0.6
87.00885	0.6
96.95997	2.2
102.98617	2.5
109.01153	1.2
115.00365	0.9
119.08445	0.6
121.06613	0.9
123.02729	2.9
135.04469	0.9
135.27895	0.5
144.74712	0.8
152.98332	1.1
153.00169	1.9
153.03789	3.4
165.09200	1.6
167.07117	0.8
175.60216	0.6
179.03688	0.6
195.32944	0.6
196.10307	0.6
209.11833	8.0
210.12299	0.9
273.41333	0.7
283.06088	0.9
283.11282	0.8
283.15469	2.6
283.26395	19.6
284.26962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01708	1.4
69.43588	3.7
71.01383	3.3
74.26819	0.6
79.16489	0.5
93.03461	0.5
94.22250	0.6
94.26131	0.6
96.96018	3.5
115.00397	0.9
121.31269	0.5
134.81911	0.6
152.79851	0.5
179.10770	9.7
193.13782	0.7
209.11909	1.6
247.06120	0.6
268.03842	0.7
283.06183	0.7
283.11707	0.6
283.26389	15.0
284.26883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01370	1.6
61.98831	0.4
69.92307	0.8
69.92704	0.7
98.20766	0.3
107.05023	96.1
108.05364	2.8
123.04464	0.5
128.86314	0.4
163.11276	100.0
163.51962	0.3
164.11586	5.3
190.27101	0.4
268.03717	0.7
275.45914	0.4
283.06271	1.2
283.17010	94.1
283.22845	2.0
283.26334	26.3
284.03192	0.7
284.14825	0.4
284.17352	9.6
284.26767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92437	0.4
57.03444	0.8
57.58555	0.4
59.01374	4.6
60.25027	0.4
61.98811	0.5
69.71500	0.9
69.71893	1.0
71.01365	0.6
76.03036	0.4
97.06552	0.5
99.08145	0.7
109.06619	0.4
109.17368	0.4
111.08122	1.0
113.09710	2.7
115.07648	1.2
127.07608	0.7
128.08421	0.8
136.07654	1.0
137.09734	0.5
139.11293	3.6
141.09189	0.6
149.09688	0.5
155.10783	2.8
167.10774	6.7
168.11128	0.4
183.10159	0.7
185.11807	0.8
211.03992	2.2
211.20555	0.4
212.09238	0.5
213.11232	0.5
214.12073	0.9
221.19031	1.0
237.18588	0.9
239.03552	2.0
239.20203	0.9
241.14459	0.8
247.17053	0.6
255.19409	0.6
265.18082	8.1
266.18228	0.5
268.03723	4.3
283.06122	3.7
283.19125	100.0
283.26334	38.5
284.03207	1.5
284.19482	9.2
284.26660	3.2
300.69934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03429	1.0
59.01379	5.4
61.98812	0.8
69.71878	1.4
69.72285	0.6
71.01382	1.1
81.66721	0.4
85.06612	0.4
97.02990	0.4
97.06576	1.1
99.08156	0.7
100.04036	0.6
111.08144	0.8
113.09724	2.8
115.07639	1.6
118.22386	0.4
127.07604	0.8
134.06129	0.5
136.07639	1.5
139.11269	3.2
155.10754	3.0
157.12434	0.4
167.10751	6.5
183.10294	0.9
184.44673	0.4
185.11836	1.4
211.03949	2.6
211.20708	0.5
213.11259	0.4
214.12099	0.7
221.19011	0.7
223.08255	0.5
237.18620	1.2
239.03549	2.6
239.20164	1.5
240.04179	0.6
265.18060	8.2
266.18500	0.5
268.03735	4.1
269.04150	0.5
279.01974	0.5
283.06158	3.3
283.19122	100.0
283.26337	42.0
284.03156	1.1
284.06235	0.5
284.19464	8.2
284.26694	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	283.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
59.50995	0.4
65.00320	0.8
71.01378	23.0
71.49536	0.6
71.72075	0.4
72.99309	0.6
73.02951	0.5
75.00845	0.4
80.42513	0.4
83.01395	0.4
85.02948	0.6
88.12920	0.4
89.02436	1.6
91.01886	9.4
92.02231	0.5
95.01377	0.7
96.95941	0.5
98.83574	0.4
101.02434	1.3
103.00344	1.2
103.04065	0.9
105.01870	0.4
108.02174	4.8
109.01180	1.2
111.00885	1.3
113.02419	0.5
115.00367	11.6
119.03535	0.9
120.04539	2.0
121.05035	0.8
123.00880	0.5
123.04520	33.4
124.01672	0.6
124.04850	1.0
124.17756	0.4
128.94812	0.4
128.96768	0.4
133.01418	1.7
133.05109	0.6
139.00308	0.5
141.81837	0.4
149.02440	1.7
152.01146	7.3
153.00166	1.0
161.04562	0.5
164.03452	1.2
164.04785	1.1
167.03485	100.0
168.03847	3.3
178.16718	0.4
179.07077	0.6
180.11354	0.6
202.14384	0.5
217.04759	0.5
223.06177	0.8
223.08212	1.4
240.05107	0.7
241.07184	1.4
268.04114	0.5
283.10440	1.2
283.26425	4.1
284.12592	1.3
291.04352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41709	0.6
59.01383	2.4
65.00346	1.1
70.25471	2.0
71.01378	20.3
91.01891	9.0
92.05061	1.1
93.14337	0.5
96.96007	2.0
102.98590	3.1
108.02169	4.7
109.01167	0.6
111.00874	1.1
115.00364	10.7
120.04541	10.3
123.04516	34.1
124.01656	0.7
124.04879	0.8
133.01379	0.7
152.01151	7.1
164.03514	7.2
167.03484	100.0
167.07135	1.7
168.03844	4.2
240.05019	3.6
268.03922	0.6
283.05484	0.6
283.08481	0.7
283.26385	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85660	1.3
52.46832	1.2
59.01375	9.1
59.26046	1.2
69.03465	2.6
69.14876	1.1
70.26219	2.6
70.26576	2.5
73.35020	1.2
75.67547	1.2
83.05010	1.2
95.05035	3.1
109.06572	2.9
109.23735	1.1
111.08149	29.2
112.08556	1.3
119.08643	1.5
121.06660	1.4
121.10242	1.8
123.08195	2.8
124.49032	1.2
125.06082	1.9
125.09727	11.3
127.07637	2.9
139.11305	4.5
141.09187	4.1
143.07147	1.8
149.09692	1.7
151.07629	3.8
153.09184	4.1
155.10710	3.7
165.09201	2.5
165.12813	2.1
169.08687	100.0
170.09055	3.7
171.10219	3.6
183.10260	14.7
199.09686	2.6
201.16403	1.3
219.17493	2.6
226.08438	1.9
235.17012	9.8
237.14873	2.9
245.15472	1.4
263.16489	16.3
281.14551	1.4
281.17578	33.8
281.24817	2.2
282.17850	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.32388	0.5
53.05563	0.5
55.03945	0.5
57.03439	1.6
58.55415	0.5
59.01375	8.6
62.34795	0.5
69.03460	0.8
70.59677	0.9
70.60007	1.1
83.05012	1.7
95.05007	1.2
96.95984	0.6
97.06572	1.8
98.03724	1.3
98.20609	0.6
99.08157	0.7
109.06578	1.0
111.08138	1.6
113.09734	4.2
115.07629	1.1
123.08121	1.1
125.06071	0.9
126.06870	1.2
135.08139	0.8
137.09697	5.0
139.07619	2.6
139.11272	2.8
141.09209	6.9
143.10754	1.0
149.51865	0.6
151.11246	1.0
153.09195	2.7
154.09975	0.7
155.10780	2.2
165.09193	1.5
165.12831	11.9
166.13124	0.7
167.10735	3.5
183.10350	2.9
183.11722	0.5
185.11832	0.6
191.14391	2.4
193.12294	1.3
209.18990	0.7
211.09685	0.7
212.10567	2.7
213.11198	0.7
215.36067	0.6
219.17526	13.1
220.17911	0.8
232.33725	0.5
237.18646	4.7
245.15436	2.1
253.18008	1.6
263.16483	31.0
264.16833	2.2
281.17554	100.0
282.17938	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	282.0842
Annotation	Guanosine
Peak:m/z	Relative Intensity
58.82826	0.3
59.01376	7.3
61.98816	2.2
64.49295	0.4
66.00971	0.4
69.82310	1.8
71.01376	3.8
72.99318	0.4
73.02950	0.8
75.00871	0.7
78.95873	0.5
82.04102	0.9
85.02924	0.8
87.30167	0.4
89.02432	1.6
101.02426	2.1
102.05585	0.8
107.03629	4.3
108.02032	8.4
111.00834	0.5
113.02473	0.9
115.00363	0.4
119.03503	0.6
121.05025	0.6
123.04568	0.7
125.02547	0.4
126.03091	3.8
126.21149	0.3
133.00482	0.6
133.01553	27.9
150.04201	100.0
151.02594	1.7
151.04639	2.3
152.01070	0.7
152.91733	0.8
156.99913	0.5
161.04535	1.2
162.05640	0.6
167.03468	1.8
169.01401	1.4
184.99443	0.6
223.08209	1.2
223.26488	0.4
268.03677	0.8
282.08417	29.5
283.01682	0.5
283.08606	1.3
283.10776	0.4
283.26422	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	281.1756
Annotation	Fumagillol
Peak:m/z	Relative Intensity
57.03434	3.2
59.01377	60.3
67.01888	7.4
67.16989	1.2
71.01379	2.4
71.06322	2.2
71.06691	1.7
79.52013	1.4
83.05006	4.4
95.05000	5.1
96.96013	2.6
97.06585	24.0
101.02464	1.4
111.08158	2.6
121.10218	9.8
123.08131	2.3
126.28091	1.3
130.21713	1.7
137.02332	1.7
137.09708	4.7
139.07591	1.4
139.11256	4.8
141.05530	1.9
143.07121	3.5
147.08133	3.6
157.08641	5.2
161.04485	1.6
165.09151	4.7
165.12808	2.5
169.08617	2.2
175.11252	1.5
181.08955	1.6
183.10245	100.0
184.10533	4.0
195.10269	1.4
202.00864	3.2
202.25522	1.5
211.13353	1.6
219.17506	3.5
221.06728	1.7
239.12982	1.8
251.10995	7.0
255.73291	1.3
263.16479	78.4
264.16779	5.0
281.12097	9.7
281.17496	25.8
281.24832	4.6
282.12695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76290	1.5
57.03432	4.3
59.01381	29.7
69.03457	17.1
70.36785	3.3
70.37140	3.9
81.03444	3.3
83.05009	7.4
84.02090	1.6
85.02925	2.1
95.04993	8.5
97.02952	43.7
97.06573	23.9
98.06887	1.7
107.05044	1.8
109.06561	4.9
111.08138	11.2
113.09730	3.6
116.20612	1.8
119.08662	3.7
121.10232	3.1
123.08109	3.2
125.06055	4.0
125.09714	5.0
127.07640	1.7
133.06602	3.1
135.08167	10.8
137.09706	18.6
139.11314	2.9
143.07158	19.4
147.06897	1.9
147.08084	2.3
149.09702	3.8
151.11284	2.3
153.09215	3.6
155.10744	7.5
157.08553	2.1
165.09195	6.7
165.12830	17.9
169.08682	24.8
175.07590	2.2
177.12828	3.1
181.08702	9.9
183.10243	15.6
189.12691	2.2
191.14438	4.8
195.10280	2.1
197.11852	3.7
199.09756	16.7
200.10048	2.0
201.16486	3.0
211.09758	3.0
219.17511	50.6
220.17766	2.8
220.62727	1.6
235.17043	2.2
245.15419	3.6
263.16501	92.8
264.16870	7.4
266.44870	1.8
281.17569	100.0
281.20798	3.5
281.24554	2.9
282.18008	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	281.0875
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
57.03437	2.0
59.01377	13.8
69.54317	3.9
71.01373	13.8
72.99334	0.8
73.02933	2.7
75.00868	2.9
78.95944	0.6
83.01380	0.8
85.02953	1.4
87.00856	1.9
87.43042	0.7
88.98802	1.4
89.02444	10.4
96.95988	1.7
101.02435	100.0
102.02781	1.8
102.05611	1.3
103.00365	2.5
110.02523	1.1
111.02007	0.8
113.02459	2.3
115.00340	1.2
117.01890	1.0
119.03487	2.1
126.58963	0.7
131.03510	0.7
133.01517	0.8
145.01440	1.5
152.91731	1.2
161.04546	1.6
165.01881	0.8
179.05646	2.4
182.96979	5.6
184.99364	1.1
213.05637	0.8
221.06618	1.1
224.11848	0.6
243.06206	2.4
280.93137	1.0
281.03458	0.8
281.11548	1.1
285.04001	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	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.04027	0.6
54.71321	0.7
57.03426	1.9
57.05391	0.7
58.90513	0.7
59.01377	18.2
61.98827	0.7
66.41816	0.6
69.03412	0.7
69.22503	4.6
69.22910	1.0
70.54382	0.8
71.01373	1.7
73.02938	0.8
83.05021	1.3
93.07162	0.8
95.04988	1.4
96.95898	0.6
97.06560	2.7
98.03703	1.0
101.02438	0.7
109.06586	1.6
111.08150	4.8
114.47802	0.6
121.02899	0.7
123.08169	5.6
125.06059	1.7
125.09722	7.3
126.10130	0.7
127.11262	4.0
129.09183	0.8
137.06107	1.0
137.09734	1.5
139.07628	1.1
141.09187	2.7
141.12859	0.9
142.09937	0.9
151.07680	1.1
151.11235	1.1
153.09193	2.4
155.10768	6.9
157.08583	0.7
157.28766	0.7
164.11917	0.9
165.12898	1.5
169.08762	0.7
171.10223	1.6
177.12808	0.7
183.10281	1.5
183.13843	3.3
199.09760	0.8
209.19112	1.8
219.17519	25.4
220.17833	2.3
235.17010	1.3
237.18573	7.1
238.68040	0.7
239.12810	1.5
245.15552	1.2
253.18073	1.2
263.16507	19.9
264.16766	1.6
273.09448	0.6
281.12286	3.0
281.17560	100.0
281.24689	2.7
282.17908	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	281.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33791	0.8
55.39429	0.6
56.65873	0.8
57.03440	1.1
58.58636	0.7
59.01100	1.3
59.01375	12.3
60.99300	0.9
61.98808	1.3
63.52225	1.1
71.01375	19.6
71.50018	1.0
73.02934	2.7
75.00865	1.6
85.02945	1.6
87.00842	1.3
88.98354	0.8
88.98813	8.1
89.02443	8.4
93.03457	1.1
96.95998	2.6
101.02438	100.0
102.02768	1.4
102.05627	1.1
103.00344	2.2
113.02406	2.7
115.00353	3.3
117.01962	0.9
119.03482	1.5
120.99580	1.5
121.02943	4.6
131.03453	1.2
133.01451	0.9
139.04012	1.4
145.01367	2.1
146.51735	0.7
150.04210	1.8
152.91711	1.7
161.04477	0.9
165.01924	2.9
169.06474	1.8
182.96875	2.4
187.03809	0.9
203.55373	0.8
211.03612	0.8
213.05559	1.2
243.06183	2.2
257.04630	1.9
280.92944	1.0
281.11328	1.9
285.03989	6.6
286.04193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1601
Annotation	Papuanone
Peak:m/z	Relative Intensity
54.44410	6.3
57.03442	26.9
59.01380	58.6
65.03978	6.7
68.02802	8.3
68.99807	6.6
69.03444	12.1
70.41814	20.1
71.01369	47.2
83.05038	61.1
93.03435	10.7
95.05014	7.9
96.95985	7.3
97.02959	7.0
97.06586	43.9
107.05016	7.9
109.06628	16.4
111.08130	12.5
115.49998	6.7
119.05018	8.8
119.08653	11.3
121.06609	8.2
123.04535	8.8
123.08167	64.4
125.06025	8.7
125.09743	20.2
132.36255	6.6
135.08162	15.4
137.06075	9.8
137.09709	58.3
139.00862	6.3
139.07663	14.4
145.06580	8.3
147.04533	7.4
149.09738	6.2
151.07616	29.1
153.09201	50.5
155.10739	16.2
155.95288	6.9
160.95103	6.3
163.07639	66.4
163.11301	25.3
164.56210	6.7
167.10878	9.6
181.08708	83.4
181.12363	33.6
186.73248	7.6
196.07410	10.1
205.12450	6.7
217.15970	78.0
235.16946	36.3
246.98898	6.7
261.14822	38.1
279.12756	10.4
279.15988	100.0
279.19107	11.8
279.20221	9.7
279.23138	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2325
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.36232	0.4
59.01367	0.7
69.66460	1.7
89.87395	0.4
94.97728	0.4
98.19910	0.8
140.31229	0.4
161.23363	0.4
162.98239	0.4
216.02321	0.4
222.35692	0.4
261.22116	0.5
270.42560	0.4
279.23254	100.0
280.23605	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	280.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.0
68.72317	0.6
69.38172	3.7
71.01372	14.8
72.00902	2.9
72.01730	0.8
72.99317	1.2
74.02480	1.8
92.05054	27.7
93.03445	4.0
93.05354	0.7
96.00945	0.6
99.00889	0.8
102.34505	0.4
109.01675	10.8
110.38525	0.5
114.02010	0.7
115.00363	7.3
116.00715	1.1
118.02977	0.8
118.06604	1.8
119.05032	5.5
120.04548	71.5
120.05312	4.0
121.04879	2.2
126.11337	0.5
133.01425	5.5
134.01779	0.6
136.04036	18.6
137.04398	0.8
147.04495	1.9
150.04208	1.1
163.04007	5.7
163.66467	0.5
164.03497	100.0
164.07130	4.6
165.03880	3.9
180.06642	20.6
181.06990	0.7
200.07133	0.8
244.06152	8.2
257.56784	0.6
262.07089	2.8
280.04407	0.9
280.08051	0.7
280.11700	0.5
287.49841	0.5
290.58267	0.5
302.51163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.16
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
55.01865	1.0
57.03450	6.7
59.01376	48.1
65.79192	0.9
67.01894	1.9
68.99870	1.1
69.03459	4.9
70.60107	1.8
71.01392	1.9
71.04997	1.0
80.02689	2.4
81.03439	5.6
83.01376	4.7
83.05018	12.1
85.02952	2.4
93.03448	2.2
95.01336	0.9
95.05014	14.9
97.02950	21.6
97.06581	26.7
98.03723	2.5
98.06891	1.2
99.04524	1.2
106.04234	2.3
107.05025	2.3
109.06583	3.5
110.03786	1.5
111.04427	1.2
111.08183	1.1
113.06071	3.1
113.09729	2.7
119.05038	1.0
119.08662	2.1
121.06569	3.2
121.10214	4.8
123.04528	7.7
123.08142	2.4
125.06111	2.5
125.09736	1.0
131.05025	1.9
133.05743	1.0
133.06619	6.8
135.08162	11.1
137.09720	14.6
138.10056	0.9
139.07642	15.1
139.11392	1.0
142.02792	1.2
143.07123	1.2
147.08138	1.1
149.06061	1.7
149.09717	4.8
151.07617	3.6
153.09219	6.9
157.08696	3.8
161.09715	2.6
163.07642	7.8
163.11287	34.3
164.08386	1.1
164.11668	1.3
165.09167	3.1
175.11290	2.7
179.10794	1.1
181.08708	14.6
181.12326	14.4
189.12791	6.5
190.62451	0.9
197.08209	4.4
199.14885	2.3
217.15950	100.0
218.16307	6.7
235.16936	3.1
243.13841	2.4
261.14905	20.6
279.16016	19.5
279.19247	1.6
279.23138	6.4
280.16321	2.3
283.21533	0.9
286.07813	1.0
287.36404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63270	1.2
57.03431	1.8
59.01369	9.8
65.03928	1.1
66.78347	1.2
69.03454	2.7
70.17701	1.1
71.01368	5.5
71.05023	12.0
81.03452	1.9
81.68279	1.2
83.05010	5.4
93.03455	1.6
95.05053	6.9
96.96015	8.8
97.02920	2.2
97.06583	4.2
98.03717	4.3
106.04254	1.6
107.05019	1.5
109.02962	2.3
109.06591	26.7
111.04519	20.2
111.08131	3.4
112.05303	2.2
115.07637	2.2
115.99490	1.1
119.04970	1.8
121.06611	2.9
123.08141	4.7
127.07644	11.5
135.08145	4.4
137.06082	2.1
139.07695	2.7
145.06586	1.5
149.06052	1.8
149.09702	3.5
150.06721	1.3
153.09242	1.3
163.03969	1.8
163.11299	13.1
167.10727	4.2
177.12756	1.8
179.14407	2.4
189.09126	1.6
207.10272	2.4
217.15961	41.4
218.16284	2.8
219.14063	1.4
223.13330	3.9
235.17014	2.5
237.01060	1.2
243.13878	2.7
259.13330	1.9
261.14926	100.0
262.15283	8.9
279.12668	5.6
279.15976	20.6
279.23218	10.6
280.16312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.78735	2.6
59.01343	3.4
67.07446	3.0
70.06380	5.3
70.06773	5.3
98.20085	5.2
98.20592	3.8
117.38887	3.1
133.02919	3.6
134.03763	4.4
151.04991	3.1
199.85693	2.8
203.99519	3.0
231.21162	100.0
232.21487	9.2
245.19096	3.4
275.09238	5.3
275.19955	14.1
285.37918	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	277.1226
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
55.01887	0.7
56.72358	0.8
57.99947	0.7
58.02969	12.5
58.99607	0.9
59.01368	3.5
64.80679	0.6
69.76960	1.5
69.77376	2.3
71.01380	4.9
73.02927	1.1
74.02478	2.2
83.01434	0.8
85.02948	1.5
87.02745	2.5
89.02449	0.8
97.04068	1.2
99.00879	2.8
99.05634	18.0
101.02428	2.0
109.02960	1.1
113.03529	0.9
115.00365	3.1
116.01762	3.7
119.03474	0.8
120.99648	0.9
121.02962	1.6
129.03700	0.9
130.12834	0.8
131.05307	0.9
133.02957	2.0
133.04433	4.5
133.06924	38.5
134.07237	0.9
135.04553	1.3
143.04613	100.0
144.04958	2.9
161.02478	4.6
161.08276	0.7
177.01881	2.6
179.03519	1.1
195.10146	0.9
206.02153	1.2
233.04581	2.5
271.29684	0.6
277.12228	47.4
277.21677	3.6
278.12567	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01378	0.7
62.30390	0.4
64.60579	0.3
71.42630	0.4
71.95790	0.4
104.31635	0.3
105.39306	0.4
112.93924	0.4
217.59254	0.4
233.22650	0.7
259.20871	0.4
275.20203	0.5
277.21695	100.0
278.22018	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90196	0.6
54.26185	0.6
57.16124	0.5
58.46093	0.6
60.57532	0.6
64.37730	0.7
68.30751	0.6
71.01377	18.1
71.09720	1.4
79.25499	0.6
93.03468	1.2
98.03056	0.7
109.14944	0.6
115.00365	14.7
119.05024	61.0
120.05353	2.7
133.01422	19.0
163.03999	100.0
164.04332	4.2
175.99973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27398	1.1
68.82639	0.9
70.85923	2.0
71.01380	14.5
72.99291	2.2
89.02410	1.8
93.03369	1.2
105.10784	1.0
115.00370	41.6
115.08125	0.9
119.05027	32.6
120.05370	1.4
133.01431	100.0
134.01813	2.2
163.02591	1.4
163.04007	28.9
164.04352	1.3
164.07198	1.1
176.88651	0.9
180.02710	0.9
211.42006	1.0
244.06029	1.5
275.30740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
53.62610	0.6
57.03445	12.3
59.01373	1.3
61.98823	1.7
69.03458	0.9
71.01356	1.6
81.03464	1.0
83.05024	2.5
85.06597	0.8
85.99494	0.7
87.12196	0.6
88.23923	0.6
88.28388	0.7
93.03440	0.9
94.04192	0.8
95.05034	3.0
97.02947	6.5
97.06570	2.3
99.04485	1.0
107.05027	2.8
108.02169	0.7
109.02937	4.8
109.06589	6.4
111.04512	4.4
112.50027	0.6
119.08686	2.4
121.06591	4.9
122.03731	14.9
123.04542	3.7
123.08183	1.2
124.05293	19.0
125.06120	5.4
127.04006	1.1
129.07376	0.9
134.03740	1.0
135.04514	2.8
135.08153	1.1
136.05244	1.2
137.06068	12.7
139.07640	100.0
140.07959	2.3
142.02744	1.3
145.10205	0.8
147.08168	4.9
148.05322	1.4
149.06079	0.9
149.09731	0.7
151.04025	2.8
153.21877	0.7
162.06870	0.8
163.03992	0.8
163.07590	1.8
163.11261	1.5
168.07899	21.6
168.09267	1.3
169.08632	4.2
171.08176	2.7
175.11241	1.6
177.12820	2.1
180.07889	1.1
185.09741	1.5
187.07607	0.8
187.11281	17.6
188.11580	1.4
189.09187	1.3
190.09984	4.4
205.12320	36.2
206.12662	2.3
217.12244	2.0
231.10197	0.8
235.09877	0.8
235.13364	4.6
249.11293	3.0
266.22534	0.8
279.09174	1.3
279.12277	11.5
279.23233	1.4
280.12656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0785
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.17868	0.3
56.60143	0.3
59.01365	0.8
62.16627	0.3
65.99822	0.4
68.01405	0.5
71.01358	0.9
71.50630	0.4
81.80070	0.3
83.77155	0.3
101.02422	0.4
111.04529	0.3
113.06126	0.3
115.92043	1.0
118.00489	0.3
120.04536	0.7
123.00724	2.1
133.46548	0.3
134.06108	0.5
135.05638	0.4
142.59503	0.3
146.02461	0.8
147.03186	0.7
152.07155	0.5
160.03963	0.4
161.07143	0.5
162.05583	2.7
162.06744	0.7
163.02583	0.3
171.05602	0.4
176.03383	2.0
177.06686	1.0
189.04121	0.7
189.06708	1.2
191.02060	1.5
203.05731	0.7
204.07852	2.2
205.03622	0.9
214.06207	0.6
215.05830	1.5
215.09108	0.3
217.03639	2.0
219.05180	0.3
228.66650	0.3
229.07265	0.8
231.05183	3.7
232.05643	1.4
232.07234	3.9
233.06735	1.3
243.05202	2.9
245.03188	0.6
245.06642	0.4
247.08383	1.3
248.06947	0.5
257.06778	1.1
260.05389	3.8
275.07837	100.0
276.08124	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	275.0783
Annotation	Ranunculin
Peak:m/z	Relative Intensity
56.01450	0.4
59.01373	2.3
61.98800	0.5
71.01377	1.1
71.50602	0.5
72.99312	0.9
73.02952	0.4
92.02541	0.5
97.06598	0.7
99.00879	0.8
101.02472	0.6
115.00332	0.7
115.07657	0.5
115.92083	0.6
120.04514	0.6
120.99625	0.5
123.00724	1.6
127.49546	0.4
134.06093	0.6
159.06639	1.7
162.05589	2.3
171.85692	0.4
172.05267	0.6
175.56741	0.5
176.03387	1.6
177.04190	0.7
177.06676	1.6
188.04594	0.7
189.04111	1.2
189.06720	1.3
190.06204	0.7
191.02086	1.6
191.05727	0.7
204.07762	2.3
205.03532	0.5
205.06140	0.6
214.06171	0.8
215.05650	2.7
217.03613	1.4
229.07249	0.8
231.05232	2.9
232.05522	1.1
232.07228	4.0
233.06772	0.9
243.05171	3.9
245.03036	0.6
247.08328	0.9
250.64490	0.5
257.06842	1.1
260.05444	3.8
275.07840	100.0
276.08136	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	275.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	1.3
67.02978	1.9
69.03438	0.7
70.00397	0.7
70.02926	1.5
71.01379	8.5
73.75162	0.7
82.02975	4.5
83.04986	2.2
91.03967	1.0
91.05486	1.9
98.02421	0.9
98.20666	1.9
99.08075	1.3
107.02432	2.4
109.04068	14.5
112.03973	2.6
113.09703	1.9
115.00267	2.8
117.25325	0.9
127.05131	78.7
128.05408	1.4
134.03661	2.9
135.04431	1.1
139.05202	0.7
145.02905	1.8
145.06905	3.8
146.03682	5.3
147.04524	6.1
148.05257	0.8
149.05891	1.0
158.03734	11.9
159.04501	30.1
159.10258	33.7
160.04979	1.0
164.07053	1.6
172.05302	6.2
173.06061	16.4
174.06776	4.8
175.07614	3.9
183.04340	1.2
185.06041	4.7
185.09563	1.1
186.06837	1.3
187.04089	6.0
187.07634	70.4
188.08035	4.8
201.05598	6.0
201.11186	2.7
202.06337	11.4
203.08565	0.9
203.10739	12.2
213.09201	4.9
215.06944	2.5
216.07703	2.4
229.08649	0.7
231.06731	8.1
231.10165	31.9
232.10419	1.1
275.09235	100.0
276.09515	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	275.2013
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.83249	0.8
59.01377	8.4
70.65643	2.7
71.01353	1.3
104.30921	1.0
133.02924	1.3
134.03699	2.1
162.03166	1.1
177.16483	2.7
179.06921	1.2
203.17722	0.9
212.23358	0.9
231.21167	13.1
232.21539	1.3
257.19193	1.2
273.29422	0.9
275.09213	1.8
275.20129	100.0
276.20474	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	272.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92744	0.4
59.01373	10.4
59.56307	0.4
61.98835	2.5
70.33917	1.4
70.80464	0.4
71.01371	0.7
72.99285	0.5
73.63031	0.4
88.98784	0.6
97.06600	0.5
98.20557	0.5
99.00861	0.7
100.98720	0.4
112.98759	0.8
113.06075	0.8
114.05611	0.8
115.00347	0.9
117.00430	1.8
125.00911	0.5
128.07182	1.6
130.08727	100.0
131.09073	2.7
134.04716	0.8
146.99823	0.5
156.99889	0.7
172.01028	0.4
172.97617	0.9
174.99229	1.0
175.02492	1.1
175.99623	0.4
189.00827	0.4
200.97238	0.5
210.06285	0.4
212.97171	0.7
212.99005	0.7
213.50916	0.4
228.07184	2.3
230.08827	7.5
231.09019	0.8
235.93346	0.5
272.09915	51.7
272.52054	0.5
273.10089	5.2
293.34113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11747	2.5
52.09864	2.4
55.01877	76.1
55.31073	2.5
59.01376	54.3
69.24169	14.7
69.24586	9.0
71.01378	33.6
72.99303	5.5
73.02940	22.5
75.00867	99.3
85.02938	3.9
87.00858	11.9
88.04022	13.3
89.04394	3.9
98.20612	5.2
99.00875	33.1
101.02415	10.3
102.53748	2.6
112.98795	8.6
113.02443	3.4
113.06081	25.8
115.00366	100.0
117.01934	21.3
120.99670	2.9
124.98814	14.0
129.01909	21.1
132.87218	2.5
133.01389	4.1
133.15462	2.7
141.05624	5.8
142.99840	27.8
145.01437	6.4
157.05049	21.7
157.08691	8.8
160.96457	11.8
172.05219	4.0
173.06015	3.2
177.83687	2.9
178.27563	2.9
182.39969	2.7
193.05154	2.7
193.07664	5.1
200.97151	9.1
203.65565	3.1
218.76883	2.7
219.01450	29.3
221.54579	3.0
229.08708	7.0
236.98111	3.8
244.12962	3.3
247.62093	2.8
254.99062	8.9
255.99657	2.7
273.03366	6.0
273.07687	16.3
273.16388	3.8
282.57907	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36002	0.9
59.01369	1.2
71.01382	35.1
71.05018	1.2
71.50092	1.0
78.95875	1.2
87.00906	1.2
97.06573	2.4
99.00886	1.3
102.98528	1.3
113.06084	100.0
114.06416	3.2
115.00374	26.2
116.00653	1.1
117.01926	2.6
133.01436	12.6
141.05562	2.4
145.06189	0.8
156.99905	1.7
157.05054	73.4
157.08675	4.8
158.05362	2.3
168.99944	2.0
169.14725	1.0
172.05283	1.2
175.04282	1.3
200.97131	3.0
210.88197	0.8
212.98929	2.3
229.08542	1.5
273.07742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
61.30249	1.2
63.54895	1.2
69.96860	5.4
71.01377	30.2
72.36890	1.1
83.05038	3.3
106.01381	1.1
107.05042	1.1
113.06082	100.0
114.06451	3.4
115.00368	25.5
133.01440	5.0
138.64818	1.3
139.42310	1.3
157.05057	83.9
157.08678	3.5
158.05447	1.3
181.08673	10.7
187.09596	1.3
193.07571	1.4
197.94388	1.3
229.08730	1.6
281.97607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03444	2.6
59.01368	2.3
59.49464	0.6
68.99839	1.3
69.43036	5.0
71.01376	8.7
72.90571	0.8
72.99316	1.5
73.02941	1.8
83.01368	6.4
83.05038	1.4
85.02937	3.6
93.03458	0.8
95.05019	1.2
97.06580	6.9
99.00871	3.6
100.69697	0.7
101.02454	0.8
107.05035	1.1
108.02179	1.4
109.06581	3.0
111.00938	0.9
111.08137	2.2
115.00362	1.3
119.88940	0.7
122.03801	1.1
123.08163	4.8
124.98782	1.1
125.06101	6.8
125.09716	36.1
126.10055	1.2
127.07638	1.2
135.08163	3.0
137.06064	5.5
137.09727	2.5
138.03262	0.9
139.07669	2.6
141.09177	1.5
142.99866	2.9
151.07632	2.0
153.05577	4.4
153.09193	12.3
154.99873	2.6
155.07121	1.7
165.05597	1.3
169.08737	3.6
169.32509	0.7
171.10220	1.6
173.00908	5.4
174.01674	5.4
181.08765	1.1
189.07677	1.5
197.04588	2.1
197.08131	5.3
227.09200	3.0
241.07100	1.9
271.02539	5.9
271.08218	100.0
271.15555	1.9
272.08609	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	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01864	0.4
55.85614	0.2
57.03437	0.4
61.98827	0.6
64.91129	0.3
70.65100	0.3
70.65443	0.7
71.25758	0.2
72.99286	0.4
81.24774	0.3
95.20523	0.3
100.65201	0.2
108.02185	0.4
128.96060	0.3
135.66963	0.4
139.02565	0.3
191.81107	0.3
197.19046	1.1
211.08875	0.3
221.19057	0.7
223.20654	4.1
224.21133	0.4
225.22212	64.7
226.22554	4.4
253.21678	1.7
269.21124	0.3
271.22757	100.0
272.23105	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	271.0821
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
55.01868	2.7
57.03434	1.5
59.01367	4.7
69.03452	1.0
71.01012	1.4
71.01373	17.0
71.04991	0.9
71.42340	1.9
72.99292	4.4
83.01378	7.0
83.05014	1.2
85.02940	2.8
87.00838	1.0
95.81062	0.9
97.06588	11.9
99.00864	3.4
99.04523	1.0
108.02163	1.8
109.06582	1.9
110.03723	1.6
111.00838	1.0
111.08142	2.5
113.06070	1.4
115.00351	3.1
121.06564	1.2
122.03719	2.1
123.08155	3.6
124.98796	9.7
125.06097	7.1
125.06872	1.3
125.09708	11.6
127.07655	2.0
133.01404	2.1
135.08134	2.2
137.06087	3.4
137.09705	2.3
138.03198	2.0
139.07631	7.8
141.09216	6.5
142.99860	29.6
151.07639	3.5
153.05571	3.5
153.09193	9.4
154.99866	32.3
155.07120	3.9
163.07640	1.1
165.09232	1.0
167.07112	1.0
169.08704	3.8
173.00882	49.7
174.01547	2.1
179.07088	2.5
180.04181	1.5
197.04544	27.5
197.08258	5.0
198.04843	1.3
209.08156	7.1
213.07625	1.2
223.06146	1.8
241.07153	35.6
242.07538	1.2
271.02454	7.3
271.08209	100.0
271.15460	4.0
272.08530	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85334	1.5
57.03429	1.9
59.01371	10.4
61.37703	1.6
61.69552	1.4
68.99800	2.3
71.01382	14.3
72.99327	2.8
74.02447	1.5
83.01389	7.0
85.02943	2.0
90.40990	1.4
95.01374	1.7
97.06584	4.2
98.19859	2.8
99.00879	7.2
99.05609	1.8
108.02206	2.9
109.02946	1.9
109.06569	3.7
111.08105	2.8
112.98809	6.3
115.00345	3.6
123.02773	2.4
123.08164	4.6
125.02436	2.0
125.06081	3.2
125.09688	7.9
128.03542	6.0
129.01921	1.6
129.05577	1.8
133.01463	1.8
135.08113	2.5
137.06065	2.2
137.09650	1.6
139.07605	2.0
141.03809	1.9
141.09288	1.7
142.99904	2.4
143.04610	7.8
153.05563	6.9
153.09204	13.1
155.07135	6.8
165.05533	1.5
169.08646	1.8
171.10220	3.7
173.00832	2.1
174.01671	100.0
175.02126	2.9
176.01083	3.7
176.46553	1.4
183.08252	1.8
191.03455	3.1
197.08171	7.0
217.10893	1.4
227.09183	21.3
267.10495	1.5
271.05835	1.8
271.08203	10.6
271.10910	2.9
271.15598	7.3
271.22757	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1756
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.80084	0.6
53.74612	0.6
57.03444	3.5
59.01364	1.9
61.18827	0.6
61.98804	1.1
70.69383	1.9
71.01372	3.4
71.05011	3.8
72.02139	1.7
73.02939	8.3
77.14237	0.6
85.02943	1.9
87.04507	100.0
88.04828	1.3
89.02422	1.1
90.56821	0.7
93.03487	0.9
99.04516	5.5
101.06075	0.8
108.82611	0.6
117.03465	2.9
121.02913	0.8
125.09696	1.0
127.07625	0.7
137.09708	2.2
149.02402	1.4
151.00389	1.5
155.07169	1.7
158.22305	0.7
163.11223	0.8
189.16496	0.9
195.55762	0.7
207.17476	7.1
223.16905	0.9
225.14977	2.3
251.12697	1.0
269.04532	16.0
269.17548	79.3
269.20859	3.1
270.04840	1.4
270.17871	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	269.2121
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
51.77509	1.2
55.01857	1.3
61.98815	1.9
71.05006	2.2
98.20098	7.2
131.04785	1.2
137.02357	1.6
140.24956	1.2
148.62331	1.2
153.01804	1.2
160.84245	1.2
197.19096	2.9
221.19112	1.8
223.20667	11.2
225.22220	87.5
226.22528	6.3
269.04584	3.0
269.21207	100.0
269.24716	8.3
270.21521	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	271.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53752	1.5
59.01376	13.4
61.98808	4.3
70.87772	5.7
71.01387	11.5
72.99280	2.1
73.02938	3.4
75.00852	3.9
78.55767	1.6
78.95886	2.1
86.76496	1.9
87.00861	2.5
90.97110	4.4
97.34145	1.7
99.00868	6.1
100.98782	5.0
101.02425	2.6
103.00353	3.3
107.38954	2.1
108.02165	61.1
108.02908	2.9
109.02928	6.7
113.02438	4.5
115.00390	4.5
117.00427	3.7
118.96590	3.2
125.02398	4.7
127.97565	3.2
128.07162	2.7
130.08727	100.0
132.98199	3.8
134.04700	2.2
135.08105	1.7
142.99852	7.7
151.03967	1.9
161.00920	5.3
161.04480	4.9
172.97665	4.1
174.99236	30.0
175.02449	33.7
176.98752	7.3
186.36499	1.8
193.94952	1.8
200.97115	4.4
230.08841	7.2
241.05101	1.9
266.67410	2.1
269.45395	2.0
271.08395	13.0
272.09952	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90108	1.6
55.01880	9.5
57.03450	7.8
58.00586	3.3
59.01374	58.8
71.01376	100.0
71.20245	2.3
72.01717	2.2
72.99293	3.6
73.02940	41.5
76.49308	1.5
83.01385	19.7
84.02168	1.4
85.02946	53.9
87.00853	4.0
89.02424	4.8
93.52000	1.5
95.01389	7.9
96.96032	1.7
97.02937	2.7
99.00884	15.3
99.41854	1.4
101.02434	83.4
102.02749	2.2
107.05047	1.8
113.02443	40.8
125.02451	2.4
129.01976	2.6
143.03491	2.8
159.03000	9.5
161.04556	32.7
187.00128	1.4
269.10245	8.4
269.13516	2.5
269.21292	3.5
272.80676	1.6
287.13852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82781	0.2
57.03438	2.0
59.01375	100.0
60.01718	0.9
60.99312	0.5
61.98826	0.4
69.38519	1.6
71.01387	1.0
71.05022	0.3
83.05019	0.7
87.00871	0.4
97.06591	0.6
98.19913	0.5
99.04517	4.8
99.05168	0.3
109.06551	0.6
111.08185	0.3
113.06103	0.3
115.85635	0.2
121.06603	0.5
156.88448	0.3
157.80511	0.2
161.13326	0.5
163.11276	1.1
165.12834	7.9
165.79846	0.2
166.13165	0.4
169.12334	0.3
176.38188	0.3
181.12370	0.3
184.70087	0.2
189.12823	0.9
191.10812	0.6
195.10313	0.3
207.13881	17.6
208.14238	0.7
209.11804	21.6
210.12186	1.0
220.01932	0.3
225.14951	10.8
226.15230	0.6
242.27608	0.2
251.12845	9.2
252.13191	0.6
269.13907	92.1
270.14252	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	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.2
58.05256	0.1
59.01374	71.6
60.01706	0.6
60.99297	0.4
71.01368	0.9
71.05019	0.4
71.51350	0.3
80.44361	0.1
81.03448	0.2
81.07093	0.2
83.05018	3.1
87.00869	6.0
95.04991	0.9
96.96028	0.2
97.06590	1.3
99.04525	1.0
107.08667	0.2
109.06564	0.5
111.04504	0.2
111.08167	0.5
121.06548	0.2
128.28423	0.1
133.06512	0.2
135.04456	0.2
135.11792	0.2
135.86676	0.2
137.09686	0.2
163.11250	1.4
163.14867	0.8
165.12825	20.0
166.13162	1.0
167.91905	0.2
181.12321	4.7
188.20433	0.2
189.12801	1.3
191.10799	1.3
205.38425	0.2
207.13875	16.0
208.14252	0.8
209.11800	33.6
210.12112	1.5
225.14935	13.3
226.15331	0.5
231.46979	0.2
251.12868	5.4
252.13387	0.3
269.13907	100.0
270.14243	6.8
270.17200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82781	0.2
57.03438	2.0
59.01375	100.0
60.01718	0.9
60.99312	0.5
61.98826	0.4
69.38519	1.6
71.01387	1.0
71.05022	0.3
83.05019	0.7
87.00871	0.4
97.06591	0.6
98.19913	0.5
99.04517	4.8
99.05168	0.3
109.06551	0.6
111.08185	0.3
113.06103	0.3
115.85635	0.2
121.06603	0.5
156.88448	0.3
157.80511	0.2
161.13326	0.5
163.11276	1.1
165.12834	7.9
165.79846	0.2
166.13165	0.4
169.12334	0.3
176.38188	0.3
181.12370	0.3
184.70087	0.2
189.12823	0.9
191.10812	0.6
195.10313	0.3
207.13881	17.6
208.14238	0.7
209.11804	21.6
210.12186	1.0
220.01932	0.3
225.14951	10.8
226.15230	0.6
242.27608	0.2
251.12845	9.2
252.13191	0.6
269.13907	92.1
270.14252	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	269.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12068	0.3
51.70122	0.4
56.58205	0.3
57.76174	0.3
58.02963	1.5
59.01373	1.7
70.48653	0.3
71.01371	1.6
71.50910	0.5
83.04989	0.3
85.02917	0.4
96.95998	1.7
97.06608	0.4
98.02472	1.0
102.98578	1.0
109.68021	0.3
114.05598	100.0
115.05936	1.6
126.09235	6.5
130.08763	0.4
133.01434	0.4
133.79037	0.3
134.03778	0.9
135.04520	5.8
154.08725	26.0
155.09090	0.8
163.92506	0.3
166.12381	0.7
169.09834	0.6
175.90709	0.3
183.15042	0.5
225.16052	12.4
227.14027	1.0
269.04507	0.7
269.15067	30.9
269.21243	1.1
269.24765	0.6
270.15372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.0
57.03447	6.8
58.00570	2.0
58.94523	0.7
59.01377	45.9
59.45418	0.7
61.77528	0.8
61.98816	1.0
67.01875	0.8
69.03429	1.3
71.01382	100.0
71.04994	0.9
71.50928	0.7
71.51298	0.9
72.01717	1.5
72.99300	5.0
73.02943	34.5
74.02471	1.5
75.00878	1.6
83.01381	17.6
84.01675	0.9
84.02148	1.3
85.02947	49.5
86.00078	1.1
87.00871	4.5
89.02438	6.0
95.01375	6.5
96.95999	3.6
97.02938	2.6
98.02455	1.7
99.00878	15.6
101.02440	80.1
102.02752	1.6
107.04973	2.0
109.06600	2.0
111.00859	1.6
113.02449	38.8
113.03248	1.9
113.06065	0.8
115.00370	0.8
121.02969	1.8
125.02422	2.2
129.01949	2.9
135.04530	5.6
143.03488	3.2
147.04410	0.8
159.02994	9.6
161.04553	29.2
162.04820	1.0
181.08752	1.1
205.03467	0.9
207.10173	1.7
210.17830	0.8
240.22983	0.9
252.07710	0.8
269.10315	11.6
269.13876	3.1
269.21204	3.6
269.24731	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01865	1.4
59.01378	1.5
61.39824	0.8
69.03460	6.5
69.78297	3.1
71.05017	13.6
81.03418	1.6
83.05025	1.5
83.94944	0.7
98.95605	2.2
121.02962	0.8
123.00896	0.7
195.17496	1.2
221.19064	4.2
223.20656	100.0
224.21088	6.2
267.19629	79.4
268.20004	4.9
278.77875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75620	1.2
54.00308	1.2
57.03444	2.2
59.01365	6.2
61.73717	1.2
61.98815	1.4
68.63644	1.1
70.33860	3.9
71.01370	2.1
71.20210	1.1
72.31158	1.3
87.00879	1.3
95.04991	1.4
97.06573	10.7
99.08115	1.3
113.09722	6.7
121.02923	2.4
125.06061	1.5
127.28294	1.1
143.07140	27.5
170.89720	1.2
178.99875	1.3
208.14037	1.3
221.19107	1.2
249.18590	30.5
250.18861	2.3
267.19611	100.0
268.19986	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	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.98827	100.0
69.69977	3.2
71.01382	1.8
87.00880	0.8
88.04057	0.9
98.19942	0.8
99.00906	0.8
113.19513	0.7
130.08757	3.6
131.09035	0.7
134.04767	1.4
135.03104	1.8
136.03467	1.7
152.91696	0.8
208.90755	1.0
229.97621	0.8
231.93594	0.9
231.97305	1.5
249.15688	0.6
267.94977	2.0
268.07758	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01380	6.5
69.03496	0.4
70.36558	0.9
71.01360	0.6
87.00847	0.4
93.54200	0.2
96.96019	0.7
121.02961	0.4
137.04298	100.0
138.04642	4.0
163.05894	1.6
166.61714	0.3
170.88617	0.3
188.89928	0.3
207.04820	3.6
223.13348	2.8
225.05891	12.0
226.06325	0.5
240.11339	0.3
249.14888	0.3
267.06714	0.6
267.12396	0.9
267.15979	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0717
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
54.12411	1.0
54.52721	1.0
59.01378	11.1
70.87770	2.6
71.01379	11.5
72.47492	1.0
72.99320	1.5
75.00877	3.5
83.81323	1.1
85.02949	6.4
87.00871	100.0
88.01231	1.7
88.04066	2.6
89.02435	6.3
95.01396	1.7
99.00901	3.0
101.02437	2.8
105.01920	2.0
113.02424	7.6
119.03509	1.2
119.92049	1.0
121.03893	1.1
129.09962	1.1
132.24800	1.1
138.93764	1.3
157.01295	1.1
161.04506	1.3
173.03032	1.4
191.05569	5.0
249.06187	1.3
266.97644	1.8
267.07199	26.1
267.10181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
50.59115	0.4
57.03426	0.8
59.01385	2.1
71.01342	0.4
82.26112	0.3
85.21171	0.4
87.00845	0.9
95.01364	0.5
96.96006	5.1
97.06522	0.4
98.11170	0.4
106.07076	0.4
146.11934	0.4
159.86821	0.4
205.12325	1.2
223.13376	100.0
224.13718	5.6
249.14995	0.6
252.04295	2.8
253.23232	0.5
267.06601	2.7
267.09357	0.9
267.12366	14.9
267.15857	1.3
267.19470	0.4
268.12906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1962
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01376	12.6
61.98844	1.0
70.62464	2.6
71.01389	1.7
73.02913	1.0
79.82221	0.9
79.88774	0.9
83.05015	1.6
85.06567	1.3
87.00864	2.5
97.06626	1.2
99.08163	1.2
113.09743	2.1
149.09697	3.4
167.10764	40.6
168.11050	2.7
168.98575	1.2
205.19698	1.5
219.59731	1.0
222.54588	1.1
229.80473	1.1
249.18556	26.8
250.18843	2.0
264.91705	1.3
267.19626	100.0
268.19925	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	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01370	8.5
66.75177	1.7
70.82726	3.6
76.56232	1.4
95.05025	2.9
97.06568	7.7
111.08154	1.6
113.09732	2.1
120.24271	1.6
121.10227	37.2
125.06042	2.4
143.07133	67.7
149.09665	2.4
149.13359	3.8
157.08630	3.4
167.10779	16.0
195.10210	2.8
203.18056	9.7
221.19295	2.4
247.17020	64.9
248.17372	4.3
265.18060	100.0
266.18436	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	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.63072	1.3
57.03406	1.0
59.01377	19.3
62.35300	1.0
69.03437	0.9
70.74076	2.3
71.01380	2.4
71.05013	9.0
80.53082	0.9
83.05027	2.3
85.06583	1.2
94.93280	1.0
96.95996	3.9
97.06592	1.7
129.05611	1.7
132.59244	0.9
133.10295	1.1
149.13354	2.6
163.07759	1.1
163.14905	2.9
181.12410	1.6
186.89952	1.0
203.18033	10.2
205.12398	1.8
207.13878	75.0
208.14244	4.3
247.17017	65.1
247.19028	0.8
248.17319	3.7
260.86179	0.9
265.07175	1.7
265.14999	4.6
265.18051	100.0
266.18323	6.9
273.85782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.217
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
53.28287	0.4
59.01366	1.6
59.78680	0.5
70.80809	0.6
70.81152	0.7
91.71934	0.3
96.96005	15.2
97.06615	0.4
110.90526	0.4
115.07784	0.4
115.40796	0.4
153.05597	0.4
162.35251	0.4
168.80688	0.4
221.00948	0.5
265.14838	14.1
265.21692	100.0
266.15222	0.9
266.22015	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	267.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84999	0.5
54.95383	0.5
59.01373	7.8
61.98841	0.6
69.03440	0.4
69.47006	0.4
71.01363	0.5
75.35138	0.4
77.80054	0.5
83.14198	0.4
86.35745	0.5
87.00890	0.6
96.95966	0.7
102.98576	1.2
103.41393	0.5
113.02336	1.0
120.46397	0.5
120.47301	0.4
133.91661	0.4
137.04295	100.0
138.04617	3.1
156.69276	0.5
163.05830	1.3
207.04807	7.6
225.05878	21.1
226.06154	0.5
267.06842	1.2
267.12805	0.9
267.15942	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	265.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
62.93172	0.5
65.56893	0.6
70.57957	0.5
71.01377	31.3
71.51380	0.7
72.04663	0.4
72.99277	0.8
84.68772	0.5
96.95998	1.2
105.07091	3.4
110.46754	0.6
112.16948	0.6
115.00361	11.4
116.05048	0.6
121.06579	0.5
122.03745	0.6
135.04512	2.0
143.18280	0.5
149.06067	100.0
150.06395	4.0
163.03984	0.6
168.88898	0.5
191.14400	0.7
203.14375	0.8
221.15546	0.8
235.13297	1.4
265.07056	0.6
265.11649	1.0
265.14468	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01376	0.6
68.43694	0.2
69.03439	0.2
70.03678	0.8
71.01391	0.3
71.05028	0.7
79.95718	1.3
83.05000	0.2
87.16811	0.2
96.96007	100.0
97.06577	0.3
103.54563	0.2
105.90141	0.2
113.06081	0.5
125.53810	0.2
135.04434	0.3
144.57278	0.2
144.68454	0.2
159.11797	0.4
177.12830	0.5
185.11801	2.1
203.10794	0.5
203.14505	0.4
205.08681	0.3
221.15361	0.3
229.95790	0.2
265.07483	35.2
265.14444	1.0
266.07846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1806
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.17175	0.5
57.03448	8.6
58.64000	0.5
59.01376	6.9
69.48234	3.4
71.01364	0.6
72.30653	0.4
83.05036	1.3
85.06585	0.9
95.04996	0.6
96.95998	3.1
97.06573	5.3
107.08646	1.1
111.08136	1.1
113.09723	40.9
114.10084	0.9
121.10239	2.2
125.06101	0.8
125.09683	0.8
127.07648	0.9
139.11290	11.1
143.07120	4.9
149.09776	2.3
155.07112	2.2
157.08702	1.0
163.11263	1.3
165.12817	0.8
167.10732	1.7
203.17999	1.3
221.19107	9.8
247.17017	7.1
248.17532	0.5
265.18054	100.0
266.18417	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	263.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01379	10.2
65.03921	0.6
66.84945	0.6
67.01911	0.8
69.03432	1.2
69.23329	3.9
69.23738	1.1
71.01376	1.0
80.02660	0.7
81.03393	0.6
83.05032	2.8
90.32056	0.5
93.03458	1.1
95.05028	5.5
99.50195	0.6
101.02435	0.6
106.04264	0.7
107.05048	0.8
107.08644	1.1
111.08159	34.8
112.08541	0.7
113.02434	0.6
119.05041	0.7
121.06557	1.2
123.08176	1.6
125.09730	1.3
129.33360	0.6
133.11819	0.6
137.09715	7.6
149.09732	8.7
151.07651	0.9
151.11284	0.6
161.09712	0.9
163.11317	0.7
165.12885	0.9
167.10829	4.3
176.42751	0.6
219.17519	17.7
220.17830	0.9
245.15460	2.4
261.56110	0.7
263.16492	100.0
264.16913	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	263.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46252	0.4
59.01376	21.2
61.78684	0.3
69.71891	2.0
80.02647	0.8
95.05019	0.4
97.06592	0.5
98.19905	0.4
100.84267	0.3
107.05023	0.4
107.29241	0.4
111.86290	0.4
119.05025	0.7
120.05762	0.5
123.08077	0.4
147.08127	0.9
148.08977	3.1
149.09651	1.1
150.10397	0.5
151.11279	1.7
161.09718	0.7
163.11284	7.3
165.12833	30.7
166.13197	1.7
189.12785	2.7
191.14395	12.0
192.14729	0.5
201.16400	0.4
203.14563	0.4
207.59467	0.4
217.15907	0.5
219.17519	11.7
220.17885	0.8
227.14333	0.8
245.15404	5.6
263.16489	100.0
264.16833	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	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01375	3.7
61.98831	0.4
70.06007	1.5
70.55373	0.4
71.01382	0.9
72.41164	0.3
73.90815	0.4
76.99743	0.3
78.27932	0.4
89.80873	0.4
117.10680	0.4
122.12731	0.4
147.04500	0.4
150.60875	0.4
219.17516	0.7
219.21181	0.6
245.19086	0.6
251.67450	0.4
261.18417	0.5
263.20126	100.0
264.20499	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	264.1239
Annotation	N(alpha)-Benzyloxycarbonyl-L-leucine
Peak:m/z	Relative Intensity
54.75719	0.4
59.01363	1.6
67.13123	0.5
70.00234	1.0
70.00622	1.0
71.01353	0.6
72.00906	7.3
74.02465	6.2
76.34045	0.4
82.26030	0.5
85.44588	0.5
85.48071	0.4
96.95980	0.6
107.04300	1.0
107.05020	17.0
108.21261	0.5
112.82379	0.6
120.05820	3.7
120.99648	0.7
121.06601	2.9
133.06592	27.0
134.03726	4.3
134.06920	0.9
135.04503	1.5
147.08159	0.5
148.05287	5.1
149.06042	0.6
152.04800	2.2
159.08141	3.5
166.02704	1.4
176.01721	0.7
176.10806	0.6
177.05626	1.4
177.09203	9.0
180.04271	2.5
190.09984	2.2
191.10675	0.8
194.08183	5.9
200.56157	0.5
203.07100	0.8
203.10753	14.2
204.11113	1.0
218.11832	2.7
218.45314	0.5
220.09729	1.8
220.13406	2.8
222.08992	2.7
247.09656	3.6
264.12369	100.0
265.07349	0.7
265.12708	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	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74216	0.5
57.03431	2.4
59.01377	10.1
61.98828	0.8
67.01878	0.6
69.03444	1.3
71.01398	0.8
83.05038	1.7
85.17711	0.5
93.07085	1.3
95.05022	6.1
96.96011	0.5
97.06587	21.9
97.07223	1.1
101.02468	0.7
113.02467	0.6
113.09718	2.9
115.77348	0.5
121.09373	1.0
121.10233	18.1
122.10573	0.5
139.07652	2.9
147.08150	6.0
157.08676	9.7
165.12869	3.7
169.08696	2.6
181.08699	1.2
183.10181	1.6
191.14536	0.8
201.16469	1.8
219.10310	0.9
219.13989	0.6
219.17511	3.6
245.15466	2.2
263.16495	100.0
264.16846	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	263.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85385	1.7
59.01368	20.9
70.98296	3.1
70.98610	2.2
71.05016	63.2
86.44482	1.6
97.06580	23.0
123.08168	3.6
135.11748	3.4
165.12830	2.0
174.43404	1.7
176.83958	1.8
179.10739	2.8
191.10783	7.0
207.13835	3.1
219.13919	2.9
219.17519	13.2
263.16483	100.0
263.19516	3.3
264.16788	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	263.1286
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
57.03453	2.9
57.64339	1.3
59.01378	17.0
69.31707	10.1
71.01367	9.3
79.33153	1.4
83.05025	2.5
83.75188	1.5
85.02917	2.0
95.05034	2.3
97.02937	12.3
97.06593	1.7
105.07075	3.7
107.05029	3.5
108.05798	9.5
109.02950	7.2
109.06570	5.6
111.04527	13.1
111.08134	2.7
113.06073	10.2
116.63706	1.4
119.08659	5.2
119.78855	1.3
121.06586	4.1
122.03735	16.4
123.04533	3.2
123.08167	8.4
125.06086	17.6
135.04504	2.5
135.08148	3.7
136.05305	15.1
137.06070	5.8
137.09746	1.8
138.06844	23.0
139.07643	38.8
140.08005	2.0
144.93105	1.3
148.05293	9.4
149.06085	5.3
151.04013	2.0
151.07640	83.9
152.04828	10.0
152.08418	41.0
153.09195	13.3
159.11819	4.1
161.09749	8.0
163.07642	16.4
164.08395	1.7
167.07121	4.7
170.05818	2.4
172.64600	1.3
177.12718	1.5
185.09622	2.4
186.10471	1.6
188.08400	4.0
189.09222	7.7
189.12767	2.3
190.43484	1.4
201.12839	30.9
202.13126	1.8
203.10753	26.2
203.98386	1.5
204.11528	73.3
205.11830	4.5
219.13873	100.0
220.14275	5.5
248.10562	1.9
263.12860	15.5
269.91956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1497
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	12.8
56.75396	0.8
57.00638	1.1
57.03192	0.9
57.03445	6.1
58.00587	3.0
59.01375	67.4
69.03406	1.3
69.52310	1.0
69.63921	3.3
69.64324	2.3
71.01377	88.3
72.99284	5.3
73.02940	34.0
73.03568	1.1
75.00877	1.8
83.01378	21.9
83.05035	2.3
85.02942	48.6
86.00089	3.6
86.03282	1.6
87.00869	3.8
89.02448	6.3
89.57930	0.9
95.01382	4.4
96.95949	1.3
97.02946	2.5
99.00880	17.7
99.08145	2.9
101.02435	100.0
101.09676	1.2
102.02742	2.0
102.61471	0.9
111.00855	4.0
113.02447	38.4
125.02427	2.0
129.01958	1.7
134.03764	1.0
135.04517	2.8
143.03471	2.5
147.04507	1.2
159.02969	8.0
161.04546	25.3
177.10793	1.0
189.12833	2.8
219.13841	3.4
236.62013	1.0
258.64578	1.0
263.06024	0.9
263.09225	1.9
263.12704	3.8
263.15036	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52065	0.4
55.09558	0.4
59.01377	100.0
60.01719	0.5
62.20103	0.3
69.53160	2.3
71.01363	1.6
73.02959	0.8
79.27315	0.3
101.02390	0.5
109.61881	0.3
116.57825	0.3
135.04546	0.7
187.07628	0.4
203.07069	0.3
203.10831	0.6
231.10281	0.6
239.37776	0.4
263.12878	0.9
264.07761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40422	0.3
56.81855	0.2
59.01377	100.0
60.01706	0.8
63.69699	0.3
69.81866	1.4
71.01385	1.3
71.96959	0.3
73.02955	0.8
80.96508	0.3
85.77950	0.3
93.85329	0.2
94.06622	0.4
101.02454	0.6
134.03775	1.3
135.04546	0.6
149.02435	0.3
164.79562	0.3
189.12910	0.3
219.13986	0.3
263.09348	0.7
263.12823	0.4
263.16406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	3.9
59.01377	7.7
71.01373	1.2
71.09245	0.4
74.02442	0.7
87.00880	3.6
87.02747	2.1
98.20665	1.0
102.98592	1.1
107.52973	0.4
115.05874	0.5
118.96097	0.5
121.02889	0.5
131.05362	1.9
133.06924	100.0
134.07269	2.8
135.04529	1.8
146.03728	1.0
147.04559	0.5
159.04509	0.7
161.06093	2.1
172.05222	0.5
201.09195	1.6
203.07445	7.4
205.05005	1.1
219.10373	0.4
221.08505	19.0
228.94189	0.4
263.09509	5.3
263.12924	2.0
264.10001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.0
57.03447	6.0
58.00587	3.1
59.01376	62.5
61.09528	0.6
63.66328	0.6
68.99802	0.7
69.03439	1.5
69.28549	3.4
69.28963	2.1
71.01377	100.0
72.01727	1.1
72.99292	4.4
73.02940	32.9
74.02472	2.1
75.00862	1.4
83.01381	18.1
85.02944	48.2
85.32671	0.7
86.00088	0.7
87.00860	3.6
89.02444	15.4
95.01380	7.4
96.96040	1.0
97.02950	2.0
99.00880	14.5
99.08152	5.6
101.02434	79.0
102.02773	1.9
111.00885	1.6
113.02441	33.9
115.00329	0.8
116.03540	0.8
119.03475	5.7
125.02448	1.5
125.09725	3.4
129.01936	1.5
131.03474	0.9
133.01390	0.9
135.04568	0.9
137.74741	0.6
143.03523	2.2
151.72287	0.6
157.07700	1.7
159.02977	6.7
159.04221	1.2
161.04547	15.3
165.09064	0.9
171.10248	6.0
173.06076	0.7
175.03981	0.9
181.12358	0.9
183.07739	0.8
187.09752	2.4
189.09180	0.7
197.11790	1.3
205.03615	0.9
207.10286	1.2
215.12939	1.2
217.08693	3.5
225.11314	1.8
227.06737	0.9
237.23888	0.6
243.12404	2.7
261.07867	1.5
261.13434	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	261.0877
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
57.03444	3.3
58.02976	23.7
59.01374	25.6
66.14754	1.1
70.02965	4.3
70.07501	5.5
71.01385	20.1
72.04542	2.5
72.99314	7.1
73.02946	5.7
74.02467	44.6
75.00851	2.7
80.91671	2.0
83.01389	1.9
84.04529	9.5
85.02954	2.6
86.02483	2.3
87.00866	9.5
87.02738	3.1
88.04034	2.0
90.97131	1.3
92.05067	8.9
95.78031	1.3
98.02474	20.4
99.00858	8.7
99.08159	3.2
101.02416	2.1
103.91974	1.7
105.01986	1.9
109.01701	2.4
109.06581	1.8
110.02464	3.2
111.00865	6.6
111.08150	1.2
112.98797	15.4
113.02435	3.2
115.00385	8.8
116.03542	27.3
116.64540	1.2
117.01926	2.4
118.02919	1.3
119.05018	4.0
120.99625	1.5
128.03531	31.5
129.01945	3.8
129.03937	1.6
130.06613	5.0
131.03769	48.4
131.05310	18.6
132.04552	57.7
132.98152	2.2
133.01447	8.5
133.04904	2.3
140.05058	3.9
142.99887	2.9
143.10748	2.9
144.04555	16.5
145.01413	3.4
145.05040	2.6
145.08704	31.3
146.06116	3.6
146.89854	4.3
150.64220	1.4
153.09210	3.2
155.10738	3.2
157.07698	27.7
158.06104	30.0
160.04012	3.1
163.04034	1.7
173.00891	4.7
173.11832	2.3
175.08748	28.7
176.09180	1.6
187.67097	1.4
188.97160	10.7
199.08748	4.6
200.09146	1.4
201.06819	9.8
201.11320	5.4
217.05115	1.4
217.09677	6.6
219.07773	27.9
219.12349	50.6
219.40546	1.2
243.07735	4.6
247.61238	1.2
261.08789	100.0
261.13016	10.7
262.09140	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	261.0878
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
50.98053	1.1
58.02973	25.7
59.01376	17.7
69.03446	2.7
69.84885	3.3
69.85273	2.8
70.02973	3.1
71.01379	8.1
71.05009	6.3
72.99277	1.3
73.02950	3.8
73.10878	1.3
74.02469	31.2
75.00859	2.6
83.05030	3.6
84.04544	15.3
85.02950	1.8
86.02461	2.6
87.04472	1.6
92.05047	10.0
93.03448	1.2
95.35721	1.2
97.06567	1.5
98.02462	17.1
99.04508	1.7
99.08123	1.1
101.02443	12.1
103.42712	1.2
104.74569	1.3
110.02480	3.1
113.02446	3.4
115.00344	2.8
115.04008	15.0
116.03532	16.3
118.02962	2.0
118.06600	2.9
124.33665	1.2
125.06081	1.6
127.03979	1.3
128.03528	33.4
129.01892	1.5
129.03841	1.2
129.47752	1.1
130.06580	6.3
131.03764	50.4
131.05356	4.8
132.04558	55.3
140.05067	4.2
144.04550	14.1
145.01413	14.6
145.05121	1.5
145.08714	13.7
146.06107	5.8
155.31088	1.3
157.06378	1.3
157.07689	29.6
158.06105	32.0
173.06142	1.5
173.08206	1.5
174.03210	1.6
175.08742	29.2
181.12344	2.1
189.05371	1.6
189.06834	1.8
199.08815	5.6
201.06711	9.1
201.11292	2.0
217.09865	8.0
219.07732	28.7
219.12332	13.0
243.07861	4.6
243.12234	1.1
261.08780	100.0
261.13190	22.5
261.22296	1.6
262.09143	6.2
270.58612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.0
59.71323	0.6
70.22884	0.6
70.33241	1.3
71.01414	0.7
73.80568	0.6
86.16496	0.6
98.19926	0.8
107.23223	0.6
137.09723	8.6
155.10771	98.2
156.11107	3.2
171.10255	23.7
172.10617	1.3
181.08701	1.8
199.09740	40.5
200.10078	2.1
215.12871	1.9
217.10782	100.0
218.11130	3.0
259.11838	23.4
260.12103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37105	0.5
59.01376	19.3
60.00993	0.6
60.89293	0.5
71.01376	11.3
72.99303	0.7
75.00878	2.8
77.79926	0.5
78.95927	0.7
87.00850	0.9
96.95999	0.8
115.00388	1.4
118.85887	0.6
123.08186	0.7
125.09659	0.6
127.11303	1.0
129.95346	0.6
133.01448	0.9
133.02974	0.6
135.04509	9.1
137.09732	7.8
141.09183	3.6
153.09196	0.9
155.10771	100.0
156.11081	3.7
164.04761	0.8
171.10249	21.6
177.01967	0.9
179.03467	7.0
180.03838	0.7
181.08673	2.0
183.10262	0.8
194.47749	0.6
197.11766	2.9
199.09741	36.7
200.10097	1.9
201.72444	0.6
217.10788	89.3
218.11143	4.4
241.76251	0.7
259.11832	26.0
259.14926	0.9
259.15427	1.1
260.12192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92130	0.3
66.49740	0.2
69.17790	0.7
69.18206	1.8
71.01378	53.2
72.01727	0.6
79.77117	0.3
96.99290	0.3
106.38303	0.3
115.00369	17.4
118.09462	0.3
119.72795	0.3
143.10770	100.0
144.11128	3.4
180.06694	0.5
193.43469	0.3
199.88934	0.3
205.02644	0.3
209.11794	0.3
220.09537	0.3
244.06624	0.3
259.11832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	0.6
60.61189	0.6
69.28098	5.4
80.02659	1.1
81.03460	1.3
83.05019	6.6
84.02162	3.2
86.42135	0.6
95.05019	0.7
101.41079	0.6
109.42343	0.7
135.08183	0.8
163.11281	4.8
165.12804	2.4
181.12373	0.8
191.10783	0.9
194.20299	0.6
209.11809	100.0
210.12137	5.4
227.12881	10.0
228.13197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	47.8
59.23423	0.7
66.03477	2.7
69.43629	4.7
70.02967	1.4
71.01383	6.2
71.27133	0.7
72.99308	5.4
74.55801	0.8
82.02957	0.8
83.04991	0.8
84.04541	2.5
85.02927	1.1
96.95989	1.4
98.19849	0.7
107.08669	0.9
111.23051	0.9
115.00362	1.0
116.05054	2.4
125.09682	4.5
130.08725	1.1
133.02943	1.0
135.04498	2.0
135.08179	7.0
141.09276	1.2
143.07118	0.9
151.05881	1.0
151.07672	0.8
153.09204	100.0
154.09554	2.9
157.07700	12.8
169.06911	2.8
169.08693	5.4
171.10257	7.1
179.03468	1.1
179.07120	0.9
197.06306	1.7
197.08180	22.9
213.09096	1.3
215.09225	95.5
216.09586	3.9
239.12889	1.8
256.23755	0.7
256.99734	1.9
257.10406	22.8
257.12985	1.7
258.10519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
52.03236	0.4
53.55201	0.4
59.01376	0.5
71.01393	0.7
71.49796	0.5
74.02480	0.7
75.58781	0.4
78.95900	100.0
80.96515	0.5
82.13848	0.5
87.05650	0.6
89.20997	0.4
96.96072	3.2
96.96957	74.3
138.97096	0.6
138.98022	5.9
142.96596	0.5
150.98000	0.6
156.91051	1.8
168.99084	2.4
198.92049	3.2
199.00156	1.8
211.90265	0.5
213.05244	1.2
216.90619	1.5
223.00162	0.5
241.01151	5.4
259.02234	22.5
260.02487	0.5
276.88477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	D-Hexose 6-phosphate
Peak:m/z	Relative Intensity
55.01861	3.6
57.03444	9.2
59.01370	13.0
61.55324	3.6
67.01890	5.4
68.99794	6.5
71.01383	46.0
71.26180	8.1
72.45891	3.2
72.99283	4.6
73.02942	4.8
78.91892	4.5
78.95902	51.4
79.80926	3.6
83.01381	16.9
85.02941	19.4
87.00857	12.1
88.98788	8.1
96.96946	35.6
99.00886	100.0
101.02435	10.2
111.00880	40.7
112.98804	80.1
115.00360	13.7
127.00308	8.9
129.01942	19.4
130.08714	7.3
133.65736	3.7
138.98021	5.7
143.07056	6.4
145.01437	6.9
173.00880	24.5
178.90891	3.8
182.96899	7.4
191.01920	10.7
198.98845	18.6
205.03482	7.7
223.04488	4.7
231.86113	4.5
241.01463	7.9
259.01538	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	259.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30805	0.8
59.01374	3.8
71.01371	4.1
71.04397	2.0
72.00899	8.8
73.02952	1.2
73.72956	0.7
86.02470	48.9
92.05051	46.0
93.05380	1.3
115.00340	1.7
116.05055	50.9
117.05379	1.2
117.97836	0.8
129.05777	1.7
130.06645	1.0
135.04489	2.7
141.02367	0.8
142.06622	19.8
143.06108	2.0
143.07100	11.1
144.08191	6.1
145.01418	0.8
154.06581	4.2
156.06944	4.6
165.79597	0.7
165.81139	0.8
169.07674	9.2
171.09262	51.2
172.09538	2.9
179.03505	3.8
199.09633	0.8
215.08223	100.0
216.08525	4.6
258.99030	1.3
259.07196	24.4
259.11777	2.3
260.07425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39855	1.1
55.01892	0.9
59.01376	5.8
69.40080	3.5
69.40504	3.1
71.01378	7.6
71.05007	1.7
72.00899	10.4
73.02908	1.2
74.02476	1.4
76.47217	0.9
77.38583	0.9
78.95899	3.1
79.95741	1.0
83.11302	0.9
85.01177	1.0
85.02956	1.3
86.02471	48.7
92.05055	48.7
93.05386	1.2
96.96029	1.2
96.96943	1.0
99.08136	1.6
115.00327	2.6
115.03985	1.8
116.05054	48.7
117.05379	2.3
120.99591	1.0
129.00180	2.3
129.05769	3.2
130.06628	1.8
130.08720	1.9
133.01447	1.1
135.04507	3.1
142.05592	1.8
142.06616	19.3
143.06113	2.2
143.07108	12.6
143.11852	1.3
144.08228	6.3
145.01408	3.0
154.06595	3.7
156.06876	3.9
161.04794	2.1
169.07684	11.1
171.09267	53.7
172.09590	2.4
172.95979	0.9
179.03497	1.9
199.09741	1.7
200.09206	1.5
215.00165	2.9
215.08232	100.0
216.08595	5.1
217.10814	2.5
218.93344	1.1
229.12047	1.0
258.99091	3.0
259.01797	1.4
259.07285	6.3
259.11649	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	251.1287
Annotation	[1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate
Peak:m/z	Relative Intensity
58.04343	0.3
58.70753	0.3
59.01376	55.4
60.01708	0.7
70.60149	1.0
71.01373	1.7
94.24424	0.3
98.72379	0.3
133.02927	0.5
134.77061	0.3
147.11786	0.4
163.11273	12.6
180.40002	0.3
191.10773	28.7
192.11119	1.4
209.11812	100.0
210.12128	4.9
251.12842	12.2
252.13223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
52.55028	0.3
59.01362	2.5
61.98806	0.6
69.35152	3.1
98.20424	1.6
233.19101	1.1
251.20143	100.0
252.20477	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	253.2171
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01371	39.1
61.93428	8.8
71.42983	18.4
78.28954	8.2
104.87376	7.8
158.50302	8.2
233.78963	10.1
247.77084	8.0
253.21730	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	254.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
60.01706	1.1
61.98827	100.0
62.49129	0.3
64.04694	0.3
69.54128	1.4
71.01385	0.6
72.99319	0.8
75.00861	1.4
80.91692	0.4
89.02452	0.3
96.96021	0.3
105.01935	1.5
112.98823	0.5
117.00436	0.5
117.12492	0.3
142.99860	0.7
152.91774	0.7
157.13391	0.3
159.01553	0.4
166.05122	0.4
168.99931	0.7
173.43471	0.3
183.01517	0.4
194.07524	0.4
194.92870	1.3
254.99719	0.5
255.05576	0.5
255.23225	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	257.0817
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
50.07969	0.3
52.90571	0.3
59.01385	0.4
60.21430	0.3
62.00476	0.3
64.19930	0.3
66.67413	0.3
71.01384	1.3
71.50909	0.4
76.23054	0.3
85.02457	0.3
85.02924	0.6
91.68134	0.3
96.96008	0.5
115.05533	0.7
124.01676	0.6
133.02948	0.7
135.04564	0.5
137.02379	0.3
143.04997	0.6
146.03754	0.7
157.06581	0.9
158.03734	0.6
159.04485	2.3
160.05261	1.0
167.05035	0.7
169.06631	0.5
169.10092	0.4
171.04514	3.8
171.10240	0.6
172.05296	6.0
173.02467	0.3
174.03194	4.0
180.05812	1.0
181.06552	1.8
183.04509	5.9
184.05267	15.7
185.06050	6.9
185.09697	1.7
186.06490	0.5
187.03990	24.4
187.07590	4.1
188.04636	1.9
189.05466	0.8
195.08131	1.4
196.05273	1.3
197.06059	30.1
198.06818	13.4
199.07265	0.7
200.04749	0.9
201.05467	0.4
202.02734	0.6
211.07672	2.5
212.08331	1.1
213.09187	100.0
214.09521	5.7
215.03500	0.7
215.07149	0.6
216.04271	0.4
217.08691	0.5
231.10234	61.4
232.10585	3.6
239.12891	0.6
242.05682	0.4
257.08160	59.2
257.23831	0.4
258.08481	3.5
258.15350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1855
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.46489	0.4
59.01373	4.9
61.98816	1.3
71.51716	0.5
82.10231	0.4
83.05018	0.6
88.10987	0.4
101.02429	0.4
112.98549	0.9
117.03475	0.8
121.02983	0.4
154.97353	1.3
161.02423	1.1
177.01910	0.8
177.96617	0.5
193.87471	0.4
200.11424	0.4
204.04227	5.1
205.01306	0.6
205.04727	0.9
205.15910	1.0
205.19603	1.3
219.06596	2.5
231.17531	1.1
247.16917	0.6
248.97299	1.4
249.07658	1.1
249.18556	100.0
250.14691	2.4
250.18869	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.06671	0.8
56.25172	0.8
59.01369	3.5
60.32381	0.8
67.49307	0.8
69.35054	6.4
69.35436	1.3
146.37784	0.8
205.19565	1.1
231.17461	1.2
249.18568	100.0
250.18892	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	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74500	0.4
53.80779	0.4
56.73664	0.4
59.01365	1.9
63.25689	0.4
69.26085	0.4
71.01379	25.3
71.51150	0.5
91.05524	6.3
96.96020	0.6
115.00369	10.7
120.29626	0.4
120.98844	1.4
133.02910	0.8
135.04514	100.0
136.04860	2.8
137.09720	1.9
159.03017	0.4
163.59973	0.4
251.09439	0.9
251.12805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86849	0.8
55.01881	10.3
57.03446	6.4
58.00578	4.1
59.01378	60.8
67.39141	0.9
69.03438	2.6
71.01379	77.4
71.51702	1.1
72.01697	1.0
72.99306	5.3
73.02944	35.5
75.00865	1.5
83.00874	1.0
83.01381	21.1
85.02949	45.9
85.06603	2.1
86.00089	2.9
86.03286	1.2
87.00867	4.4
87.08154	2.0
89.02428	6.2
95.01361	5.2
96.95992	3.9
97.02973	2.1
99.00880	15.9
101.02439	100.0
102.02776	2.2
103.04046	1.0
111.00860	2.1
113.02443	35.7
114.02766	1.0
122.03709	1.3
123.09286	1.0
125.02421	2.4
129.01913	2.4
143.03456	2.6
149.02396	1.2
159.02965	7.6
159.04482	6.7
161.02441	1.7
161.04561	23.7
161.05936	2.2
173.06059	2.3
174.06836	1.1
175.03905	1.7
176.04707	5.2
177.01891	4.1
177.09177	2.1
187.07611	3.5
190.06300	1.9
203.10773	9.5
204.04283	9.1
205.01491	1.2
205.08632	4.9
205.12369	1.5
219.06584	4.5
231.10126	1.2
249.07805	19.4
249.11212	2.9
249.13399	35.7
250.14401	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	249.1494
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.03445	1.2
59.01377	11.4
61.09378	0.9
61.98833	3.0
68.99560	1.0
69.03451	32.4
69.44475	5.6
73.02926	1.2
79.95754	0.8
83.05016	2.7
86.56520	0.8
93.03434	1.3
95.05015	4.0
97.06583	2.6
106.04283	1.6
111.08115	1.0
112.98601	1.2
117.03444	2.0
119.05028	1.4
121.02971	1.6
121.06587	1.2
134.07390	2.1
135.08115	0.8
149.13333	3.4
151.11319	1.7
154.06824	0.9
161.02396	2.5
161.13341	1.2
167.10741	3.6
171.10222	1.5
175.11205	1.1
177.01886	1.2
179.10745	2.5
187.14880	3.9
193.12325	7.5
203.14426	1.1
204.04282	12.1
205.01390	1.6
205.08794	1.1
205.12350	9.8
205.15933	10.4
219.06554	7.7
221.15453	17.0
222.15775	1.2
231.11621	1.9
231.13879	34.4
232.14259	2.4
248.97365	2.0
249.07816	5.0
249.14934	100.0
250.14995	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	249.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99597	3.1
59.01381	6.4
65.46526	0.4
71.01374	1.8
71.05002	0.4
71.30370	0.4
71.51655	0.7
73.04053	0.7
78.95904	0.8
87.00869	3.5
88.04025	0.8
101.03555	0.7
117.03802	3.4
119.05357	100.0
120.05704	2.2
121.02946	1.5
122.03649	0.5
128.03549	1.2
132.03023	1.8
133.01558	0.4
133.02800	0.4
134.03758	0.8
134.04727	0.9
135.04524	0.7
147.04501	1.6
148.05280	0.5
158.84746	0.4
159.04419	0.7
161.02419	1.0
161.06113	0.9
162.03214	0.9
164.01802	0.8
164.07207	0.6
171.07697	0.6
175.03944	1.1
175.07607	1.0
176.04820	4.1
177.01944	1.8
177.09200	5.2
187.07658	1.9
189.05884	5.9
190.06375	1.0
191.03397	0.4
191.10841	0.5
192.07797	0.4
202.06340	0.7
203.03568	0.4
204.04256	8.9
205.08694	5.0
207.06949	19.2
219.06584	4.2
219.10150	0.6
231.10324	1.0
234.05333	0.6
248.97185	0.5
249.04077	0.6
249.05081	0.4
249.07892	6.5
249.11311	6.7
249.15012	0.9
250.11800	0.4
250.14487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1341
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	11.0
57.03433	7.2
58.00576	3.6
59.01376	73.4
69.03448	1.5
69.21834	10.9
71.01379	82.4
72.99311	6.5
73.02940	40.1
75.00874	1.4
83.01383	23.9
84.77523	1.1
85.02946	47.9
85.06583	2.9
86.00098	2.3
87.00850	4.3
87.04109	1.0
87.08135	2.8
89.02438	6.8
95.01378	7.7
96.96030	1.6
97.02943	2.5
99.00884	18.0
101.02437	100.0
102.02728	1.7
111.00848	3.6
113.02440	35.1
119.03384	1.1
121.02928	1.4
125.02416	2.5
126.02614	1.2
129.01918	1.8
137.01443	1.2
143.03468	3.1
157.08731	1.3
159.02974	8.0
159.04488	7.8
161.04558	27.3
161.05923	1.7
173.06056	1.3
174.06764	1.3
176.04755	3.5
177.01901	2.0
177.09123	2.2
187.07559	3.4
203.10695	10.8
204.04234	10.7
205.08691	2.7
219.06676	5.8
249.05409	2.1
249.07867	18.0
249.11201	3.1
249.13367	41.3
250.14197	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
52.04594	0.1
53.28169	0.1
59.01369	0.5
61.98833	0.3
71.01375	1.9
71.33193	0.2
78.23538	0.2
79.95726	1.0
82.06613	0.2
103.03991	0.7
132.98172	0.2
157.05051	0.2
176.99394	0.6
183.49770	0.2
184.00157	9.1
184.50557	0.2
186.95631	0.6
191.00948	0.6
200.50011	0.3
204.15295	0.1
205.16058	0.4
220.17033	0.5
231.13879	0.4
232.03761	0.2
247.17012	100.0
248.07979	9.7
248.17346	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	247.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27812	0.7
57.03434	1.2
59.01381	17.7
61.98831	1.8
62.28202	0.7
67.91933	0.8
69.37749	5.7
71.01377	14.4
78.71181	0.6
82.06620	1.8
83.05003	1.3
90.97142	0.8
103.04002	5.4
105.80119	0.7
115.92005	0.7
121.10223	0.9
132.98201	1.4
133.06552	0.8
149.13373	7.8
157.05075	1.9
161.13307	0.9
165.01804	0.9
174.99203	2.1
175.14920	2.1
186.95563	4.5
203.18034	24.3
204.18315	1.2
205.12349	0.9
229.15927	1.8
247.17010	100.0
248.08041	1.9
248.17360	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.3
65.88688	1.8
66.03452	1.7
68.99580	2.9
69.43082	12.0
71.01382	6.1
72.99292	1.8
73.02930	2.6
74.02467	2.1
75.00847	3.1
82.06620	95.5
84.04585	1.6
85.02911	1.7
87.00865	4.2
93.03463	2.6
96.95996	6.6
98.06086	2.7
98.19988	2.6
99.00857	2.8
100.04038	22.3
101.02438	2.0
105.01935	3.3
109.02924	3.5
112.98676	5.0
115.35895	1.6
116.05412	5.0
119.05367	27.4
119.81940	1.8
124.04056	3.5
126.05604	100.0
131.07074	3.6
132.07520	3.8
134.91579	3.5
136.93958	2.8
142.05057	5.7
142.99860	3.0
145.01373	1.9
159.04398	2.3
160.04378	14.5
160.06172	3.0
161.06104	7.7
170.04596	13.2
175.03966	2.1
186.02267	2.2
189.05783	1.8
204.03270	41.4
204.05034	2.9
207.06894	4.5
219.06584	2.9
230.01245	2.5
231.52017	1.9
248.02249	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1184
Annotation	oscr#9
Peak:m/z	Relative Intensity
55.56401	0.5
57.03442	0.7
59.01370	5.4
61.98820	0.9
69.52112	1.0
69.52523	2.4
69.91302	0.4
70.40451	0.4
71.01376	11.4
72.99299	9.4
73.01151	0.6
73.02935	1.4
75.00867	98.9
76.01219	0.5
82.06618	4.6
83.04993	0.6
85.02943	2.6
89.02433	1.0
90.97124	0.6
99.00894	0.9
100.04023	1.7
101.02402	0.9
103.04010	2.6
113.02471	0.6
115.00365	5.2
117.00188	0.9
117.03796	1.0
120.99695	0.6
126.05597	4.4
131.07124	3.3
131.09079	0.4
132.31606	0.5
132.98195	0.9
133.01434	2.4
143.07071	0.5
153.09171	2.0
157.05013	0.9
170.04613	0.9
174.99310	1.1
175.04050	0.6
181.95250	0.5
183.39015	0.4
186.95592	4.1
188.04750	0.5
189.43210	0.5
203.30878	0.5
204.03323	3.2
232.03809	0.7
247.11841	100.0
248.12167	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	246.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03443	0.8
58.02953	1.5
58.50771	1.0
59.01372	3.9
70.02984	2.0
71.01379	16.3
71.50896	1.2
72.04552	3.0
73.02938	1.0
74.02479	7.4
75.02814	1.7
77.07940	0.7
78.31556	0.8
82.02978	1.2
87.72416	0.8
96.00915	3.7
96.96007	0.8
98.02488	2.5
99.00861	2.0
99.02773	0.9
101.02442	0.9
101.09480	0.9
103.04039	1.0
107.91708	0.8
109.01689	31.5
114.01954	2.6
114.09221	5.6
115.00360	3.1
115.21232	0.8
116.03500	1.1
116.05072	1.6
117.05372	1.2
119.05026	0.9
130.08731	100.0
131.09065	2.7
138.09227	1.5
140.10812	13.1
142.06578	1.2
142.08719	15.6
158.08170	0.9
159.04579	1.2
163.88676	1.0
166.08723	8.2
168.06551	1.4
175.02713	4.2
175.04031	1.4
176.03519	9.2
184.08083	1.0
184.09781	5.2
186.07658	3.8
200.07150	2.1
200.09241	1.2
202.08788	1.7
202.10669	1.1
204.06683	1.4
204.08469	6.0
210.07701	41.7
211.08017	1.4
212.01349	0.8
220.64735	1.0
228.08757	19.0
246.07603	11.0
246.09766	14.6
246.13850	1.3
247.05792	1.4
247.09843	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	247.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73793	0.3
59.01381	0.9
63.86027	0.3
66.12617	0.3
71.01380	3.0
71.05045	0.4
71.51635	0.4
79.05528	0.3
82.06630	0.6
93.03423	2.0
103.04018	1.6
103.69873	0.3
106.04240	2.2
109.02950	1.0
111.00876	1.2
121.02949	6.5
121.03770	0.6
124.01638	0.3
126.05595	0.9
133.02948	21.7
134.03732	45.1
135.04564	5.4
137.02437	47.7
138.02777	1.2
139.04004	15.6
145.02992	0.3
146.03735	0.9
148.05173	0.4
149.02434	1.4
150.03224	4.4
157.05099	0.7
159.04507	3.8
159.11771	0.8
159.89668	0.3
160.85901	0.4
165.01933	1.3
173.06085	1.0
174.06854	0.8
175.07584	0.3
177.09192	2.2
178.02698	100.0
179.03142	4.0
186.95621	0.5
188.04866	0.4
197.11790	3.4
203.10762	6.2
204.03317	0.5
232.03775	0.4
247.06029	0.7
247.09737	7.9
247.13390	0.7
248.10176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01374	36.9
70.11065	2.8
70.11421	0.7
71.01378	0.9
78.42709	0.7
98.99445	0.7
127.11291	4.4
139.11292	2.0
146.03697	1.5
155.10744	2.0
157.12338	17.8
159.04497	0.8
172.05231	1.3
180.13371	0.7
185.10262	1.0
185.11832	17.9
191.73595	0.8
200.42638	0.6
201.09195	4.2
201.11150	1.5
203.12859	100.0
204.13217	4.3
245.08147	1.4
245.14069	7.0
269.12524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.1
69.22733	5.9
76.81113	0.7
80.02681	1.0
81.03472	1.0
83.05027	4.8
84.02191	2.3
101.02453	1.1
104.95559	0.6
125.09740	2.8
127.11266	5.8
135.08208	0.9
137.09703	1.5
137.74609	0.7
138.66693	0.7
139.11269	1.5
145.01399	0.7
153.51770	0.7
155.10785	2.4
157.12308	0.6
163.11314	4.8
165.09251	1.7
165.12842	2.8
171.10254	2.6
183.10307	1.3
184.28992	0.6
191.10707	1.0
199.09764	2.1
201.11308	86.4
202.11697	2.6
203.08180	0.6
204.06534	0.8
209.11809	100.0
210.12202	5.0
215.12816	1.2
226.57187	0.6
227.12874	17.6
228.13196	0.7
229.13565	0.6
245.13911	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	245.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	6.8
59.01377	23.6
59.11052	1.5
64.61567	1.5
69.84173	3.8
69.84586	4.1
71.01382	15.3
71.05047	1.8
72.02148	2.5
72.99302	3.4
73.02955	4.7
74.02473	6.1
75.00868	2.2
78.95898	6.9
81.21994	1.5
83.01388	2.2
85.02940	12.2
85.06561	1.8
87.00876	23.9
89.02438	9.1
95.05035	3.7
96.96983	2.4
97.06605	13.8
99.04553	1.7
99.08153	8.9
101.02430	3.6
105.01900	1.8
107.04994	2.9
108.02158	3.3
109.01697	3.3
109.06583	5.6
111.08133	1.7
113.03558	6.5
113.06055	1.8
125.06064	4.5
127.07652	100.0
128.07964	1.9
129.01945	3.6
129.05586	2.9
129.09212	4.7
129.10304	6.7
130.08740	50.0
137.06136	8.4
139.04034	2.3
139.07652	10.6
140.07164	5.5
141.09216	3.7
141.10345	5.5
147.02939	3.4
152.99603	3.0
153.09138	2.6
155.05927	2.9
155.07138	39.4
156.07404	1.9
157.08633	3.4
158.08264	1.9
166.08728	2.1
167.07112	5.2
169.05070	1.8
172.11288	1.6
183.11400	3.5
185.08266	8.9
207.74667	1.5
208.83284	1.7
210.07655	7.0
215.10310	5.0
227.10368	16.0
245.04248	6.6
245.09996	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	245.1028
Annotation	Jioglutin D
Peak:m/z	Relative Intensity
54.59679	0.6
57.03428	0.9
58.02963	6.0
59.01380	4.9
69.03455	1.2
70.02971	5.6
70.86616	1.4
70.87003	0.8
71.01375	2.5
72.00896	1.2
72.04548	1.0
72.98892	1.5
72.99303	24.8
73.99610	0.7
74.02470	30.7
75.00868	58.3
76.01196	0.7
78.95890	1.8
81.03427	1.4
83.01343	0.6
83.05019	4.4
84.04583	0.7
85.02945	1.5
87.00873	2.1
93.03464	1.6
95.01378	3.4
95.05017	3.8
95.78451	0.7
96.96006	0.8
97.02948	3.9
97.06541	0.8
98.02470	6.2
99.00853	0.9
99.04498	1.1
107.05032	1.2
109.01701	1.2
111.04509	4.4
113.06074	1.6
116.03541	9.0
116.05049	10.1
119.05034	0.9
122.06120	0.8
123.00915	0.7
123.04522	1.0
123.08142	1.5
125.02430	1.8
127.07662	1.1
129.05577	2.1
130.06599	0.8
130.08714	3.6
134.24071	0.7
139.04012	8.4
139.07591	1.7
141.05568	1.8
141.09195	1.3
142.06575	1.9
143.11842	0.9
151.04015	3.4
151.07588	3.2
152.99573	1.2
158.08223	0.9
159.09264	2.0
164.10815	0.7
165.09178	1.1
169.05055	7.8
169.08644	3.3
171.06580	0.8
183.09171	0.8
201.10266	2.0
203.08209	23.0
204.08510	1.2
210.07668	1.3
213.04013	0.9
215.05582	3.2
215.10341	1.3
227.09236	6.8
228.08780	1.1
245.10329	100.0
246.10844	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	245.043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03442	3.6
59.01373	28.3
68.99551	2.2
69.03484	3.1
69.62185	8.1
71.01377	53.9
72.99310	14.3
73.02957	7.4
75.00892	3.1
78.95900	95.9
79.96358	1.9
83.01404	5.6
85.02946	9.2
85.06612	5.5
87.00865	10.7
88.04076	2.7
89.02444	13.9
89.87939	2.2
93.03453	2.9
95.01447	2.8
96.96964	8.7
97.02972	7.4
99.00867	14.3
99.04490	2.4
101.02435	43.1
105.01981	2.8
109.06625	2.1
111.00915	7.1
111.04494	3.6
112.98789	13.9
113.02418	13.1
113.03630	2.3
115.00357	18.9
116.07169	21.7
117.01936	4.4
118.96624	1.8
119.03488	26.7
119.04230	2.4
125.02499	4.3
127.07700	6.8
128.03513	16.0
129.01944	11.1
129.04597	3.9
129.05574	82.9
129.10368	6.6
130.08766	8.1
130.96652	6.2
134.61555	2.0
139.04060	6.1
139.07671	1.7
140.07179	2.0
141.01920	2.0
142.99869	2.9
144.98212	2.0
145.01469	10.2
147.03036	2.0
152.96062	2.9
152.99579	77.3
155.03540	2.6
157.00044	2.1
158.08366	2.4
166.99866	1.8
169.01390	1.9
170.97035	4.4
171.00638	32.7
172.97716	9.5
172.99469	4.3
173.00928	6.0
173.02434	1.9
173.04587	7.0
174.99272	3.4
183.11432	3.7
184.97668	5.2
185.01056	2.7
202.95111	8.9
202.98807	2.7
209.06650	13.0
227.10498	5.1
245.04390	100.0
245.06560	5.7
245.11314	7.6
247.87030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02974	20.8
68.89117	0.9
69.48817	5.5
70.02977	17.7
72.00909	4.5
72.04556	4.9
74.02470	87.3
98.02470	23.7
116.02709	1.3
116.03534	31.5
116.05052	32.5
130.06647	4.5
142.06631	7.9
157.07684	0.9
159.09267	6.0
162.94624	0.7
171.17294	0.9
183.09241	2.4
186.05638	2.0
193.66371	0.9
201.10271	9.0
203.08247	85.5
204.08540	4.4
245.09277	100.0
246.09621	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	245.043
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.64622	0.7
59.01393	1.0
71.01385	0.8
71.49989	0.8
72.98893	1.0
72.99305	20.9
73.76464	0.7
78.95898	95.8
87.00874	1.7
88.36177	0.6
90.97140	1.1
96.96952	9.1
101.69796	0.7
114.93582	1.0
114.98832	0.8
118.96613	3.5
130.96623	6.5
139.03995	1.9
142.51331	0.6
146.92555	1.3
148.97685	2.9
150.98038	1.2
152.04166	0.7
152.95982	12.2
152.99573	82.3
158.08173	1.1
160.53357	0.6
160.98546	1.9
170.97002	16.8
171.00626	35.8
172.98347	0.9
172.99583	1.3
174.99239	1.7
178.95044	0.8
190.99747	0.7
202.93355	1.3
202.95100	15.1
204.97455	0.8
244.90173	3.7
244.96191	2.7
245.04289	100.0
246.04688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98828	5.5
64.22292	0.5
64.79524	0.5
67.01888	1.5
75.81075	0.6
90.95953	0.5
94.02917	0.6
98.19943	1.3
99.42425	0.6
99.92578	4.8
111.00858	2.3
139.11290	0.9
154.86714	0.5
154.99774	0.7
159.19977	0.5
167.14354	0.8
181.12347	1.0
183.10286	1.3
183.13873	7.6
193.12312	1.9
207.10217	0.8
211.13368	100.0
212.13719	4.2
225.11391	0.8
243.02907	0.9
243.06480	1.2
243.12263	3.2
243.15942	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	243.1962
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
53.77959	0.5
59.01378	1.2
61.98830	4.2
67.01885	1.8
71.93826	0.4
81.46969	0.5
84.02172	0.6
91.35444	0.5
99.00885	0.5
99.92584	7.3
110.02477	0.6
110.76761	0.5
111.00877	2.1
112.74284	0.4
118.92045	0.5
119.08697	0.5
120.79598	0.4
123.97872	0.4
129.15642	0.5
133.88400	0.4
137.45197	0.4
139.11145	0.5
154.99876	1.0
183.10191	0.8
193.15953	1.3
195.17528	4.4
197.19092	68.7
198.19441	3.4
225.18593	1.5
228.81372	0.5
243.12392	1.8
243.19623	100.0
243.89861	0.7
244.19997	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98825	3.7
67.01888	1.4
71.06818	0.9
83.95300	0.4
97.06575	0.5
99.00854	0.5
99.92583	3.8
110.02487	0.6
111.00868	1.6
118.27797	0.4
125.02392	0.5
125.09724	1.3
139.11304	0.7
171.10243	1.0
181.12271	0.9
183.10291	1.0
183.13797	0.6
193.12364	0.7
211.13383	5.8
223.40298	0.5
225.11336	0.9
225.15042	0.6
243.15977	100.0
244.16309	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	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
50.45613	0.4
59.01365	1.4
60.68551	0.4
61.69799	0.4
61.98823	5.2
67.01871	1.4
67.22059	0.4
76.66914	0.4
90.39131	0.4
98.20674	0.8
99.92583	7.0
111.00854	1.6
125.09721	1.2
127.56949	0.4
141.54158	0.4
160.24834	0.4
166.32735	0.4
171.10199	0.5
181.12372	0.7
181.15913	0.4
197.90584	0.8
211.13403	5.5
225.14970	1.0
227.02446	1.4
243.15979	100.0
243.89632	0.7
244.16287	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01879	0.8
57.03434	0.8
59.01373	5.6
59.32742	0.6
63.11623	0.6
67.49049	0.6
69.28832	3.7
69.29246	1.3
71.01375	5.1
71.05019	3.2
73.02936	6.2
80.27973	0.6
83.05023	1.4
97.02944	4.7
97.06591	1.3
99.00877	20.4
109.06630	1.5
110.03745	1.5
111.00893	0.8
115.00353	1.7
115.72222	0.7
123.08211	1.3
125.09688	5.1
127.07655	4.8
127.11311	1.1
134.03699	1.0
135.04515	0.9
135.08253	0.9
136.05272	0.9
139.11256	2.3
142.02689	1.7
148.95184	0.6
155.14427	1.1
163.11284	7.5
171.10246	1.3
181.12328	24.9
182.12607	0.8
183.10278	3.7
197.11848	1.7
199.09637	0.9
199.13374	19.4
200.13699	1.6
207.10245	39.8
208.10510	2.6
225.11301	78.8
226.11646	3.3
236.68465	0.6
243.12349	100.0
244.12724	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.57138	0.2
55.01882	0.2
57.03442	2.1
59.01375	58.0
60.01713	0.6
60.99321	0.4
70.11082	0.8
71.01385	0.5
71.05013	0.4
72.69001	0.2
73.02936	3.8
73.29845	0.2
83.05009	0.3
83.36596	0.2
94.73970	0.2
95.05024	0.9
99.04535	0.3
111.08179	0.2
129.05582	1.1
137.09697	1.1
139.11281	35.7
140.11589	1.0
155.10741	0.7
162.86310	0.2
163.11272	1.3
165.09207	1.7
181.12328	24.3
182.12653	0.9
183.10242	51.5
184.10571	1.7
197.11865	0.3
199.13376	18.1
200.13670	0.7
201.11327	0.7
207.10225	0.7
225.11295	16.3
226.11609	0.9
243.12340	100.0
244.12668	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03441	2.1
59.01378	28.2
69.01977	0.4
69.03414	0.5
69.41297	0.4
69.55168	2.8
71.01384	1.5
71.05009	1.7
73.02936	1.8
74.84535	0.4
83.05016	0.9
97.02939	1.5
98.20629	1.0
99.00873	5.3
109.04053	0.4
109.06620	0.5
111.00835	0.5
115.00358	0.5
125.09720	3.0
127.07662	1.3
127.11285	1.5
137.09669	0.5
139.11282	18.0
153.12823	1.2
155.10822	0.5
155.14345	0.5
163.11278	3.9
165.09189	0.9
171.10170	0.7
181.12340	17.0
182.12648	0.6
183.10249	23.6
196.08582	0.5
197.11729	1.0
199.13379	29.3
200.13725	0.9
201.11275	0.7
207.10258	15.8
208.10625	0.7
222.43460	0.5
225.11307	38.6
226.11748	1.6
243.12349	100.0
243.15941	16.4
244.12672	4.5
244.16411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01367	1.3
61.98809	0.4
67.01881	0.5
71.01370	0.7
71.05013	2.1
71.27784	0.9
71.58938	0.4
82.40330	0.4
83.04983	0.5
91.04543	0.4
97.02944	2.7
97.06572	0.5
99.00874	13.4
101.66341	0.4
109.06575	0.6
110.03744	1.1
118.27921	0.4
118.44961	0.4
120.34727	0.5
123.08133	0.7
125.09708	3.3
135.08131	0.5
142.02708	0.7
153.12854	0.5
155.14397	1.3
163.11266	5.0
168.39301	0.4
171.10056	0.5
181.12343	12.9
197.11815	0.6
199.13367	15.9
200.13815	0.7
207.10239	24.7
208.10611	1.1
225.11302	45.8
226.11525	2.4
243.12340	100.0
244.12663	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	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
52.67479	0.6
55.01886	0.8
57.68039	0.6
59.01365	2.0
59.36354	0.6
66.03484	10.7
68.01411	2.1
69.97043	1.8
70.03008	0.7
71.01379	2.5
71.97713	0.6
79.01881	0.8
82.02979	26.7
83.01380	1.2
90.97171	0.7
92.05035	0.7
94.02974	2.2
96.04553	1.4
99.00883	1.2
100.11683	0.7
100.92554	0.7
101.02454	1.1
108.04531	2.5
110.02476	100.0
111.00867	1.3
111.02025	6.2
111.02736	1.1
112.98807	2.2
117.01920	1.4
120.04495	0.8
122.02467	7.0
124.04023	2.1
128.03558	0.6
129.01950	1.0
132.03062	1.0
132.98193	2.0
138.05602	1.1
140.03545	9.8
142.99857	2.0
144.98149	1.2
152.03526	17.4
153.03030	9.3
156.80165	0.7
160.97702	1.3
170.61165	0.7
173.00896	1.8
182.04555	1.4
183.01436	1.5
186.99249	12.0
189.00803	8.0
200.05637	42.8
201.06000	1.4
205.03513	1.9
210.98254	1.0
211.11328	0.7
242.98221	7.5
243.06195	36.7
244.06541	2.0
245.46269	0.7
246.01605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20157	0.6
57.03452	3.7
59.01369	3.1
61.98833	1.3
67.01886	0.8
70.85358	1.2
71.01383	1.9
72.99294	0.6
73.02932	3.9
79.20866	0.7
79.95753	0.6
87.00892	1.4
97.06583	6.5
99.00871	3.3
101.02438	67.4
111.00862	0.8
119.04980	0.7
119.08651	4.2
124.00741	1.0
125.01025	0.7
125.09686	1.1
135.04552	0.8
137.09714	2.4
139.07735	0.9
145.01419	100.0
146.01736	2.0
171.04530	3.3
172.42870	0.6
181.08685	2.3
181.12334	0.9
183.10184	0.8
201.11270	1.9
225.07634	2.6
243.02954	7.2
243.05273	1.4
243.08641	9.6
243.12326	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01376	55.6
60.01696	0.5
69.70142	1.9
71.01376	1.1
71.05020	0.5
73.02937	4.0
75.02494	0.3
79.84229	0.3
83.05018	0.5
85.02965	0.3
95.05045	0.7
97.06635	0.5
109.06578	0.4
113.06122	0.4
127.07645	0.6
129.05580	0.8
137.09721	1.0
139.11281	35.5
140.11597	1.0
155.10764	1.0
163.11282	1.9
165.09206	1.7
171.10301	0.3
181.12329	23.1
182.12653	1.4
183.10242	50.3
184.10614	1.9
197.11861	0.6
199.09688	0.9
199.13379	19.0
200.13661	0.6
201.11298	3.0
207.10217	0.9
215.13023	0.5
225.11295	14.8
226.11665	0.9
243.12343	100.0
244.12694	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	242.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09179	0.2
50.24009	0.2
55.01869	0.7
57.03437	0.7
59.01367	3.5
66.03484	13.4
66.10433	0.2
67.01875	0.3
68.01403	2.3
68.99807	0.3
69.03456	0.4
69.78562	0.4
69.78976	0.6
70.02966	0.5
71.01376	6.5
72.99310	0.6
73.02946	0.5
78.03471	0.2
79.01855	0.2
81.02200	0.4
82.02980	28.4
83.01380	2.0
83.03332	0.3
84.00898	0.2
84.04543	0.8
85.02939	0.7
86.57156	0.2
87.00869	0.7
89.02414	0.6
90.03473	0.2
90.97138	3.1
92.01469	0.3
92.05045	0.5
93.03448	0.3
94.02982	2.4
95.01383	0.5
96.04538	1.8
97.02962	0.3
97.71851	0.2
98.02452	0.3
98.06123	0.3
99.00881	2.3
101.02437	2.1
108.00916	0.2
108.04557	2.5
109.01714	0.3
110.02474	100.0
111.00883	1.0
111.02002	7.5
111.02802	1.8
112.12216	0.2
112.98806	4.2
113.02405	0.3
114.05627	0.2
115.00375	0.8
115.65318	0.2
116.98711	0.5
117.01916	1.6
118.96607	1.5
120.04543	0.7
122.02476	8.6
123.02787	0.3
124.04051	3.3
125.02378	0.3
126.05624	0.4
127.05124	0.4
128.03543	0.5
129.01944	2.0
132.03040	1.0
132.97258	0.4
132.98192	4.4
134.02483	0.4
138.01942	1.0
138.05597	0.6
139.02477	0.2
140.03534	11.0
141.00417	0.4
141.03854	0.3
142.99864	3.6
144.98181	4.0
145.00377	0.2
145.01460	0.7
146.99748	0.4
152.03526	18.1
153.03038	10.0
156.98181	1.3
159.01497	0.2
160.97681	4.1
162.95671	0.2
164.03545	0.3
168.98256	0.2
171.96877	0.3
172.97705	1.1
173.00903	4.5
173.98183	0.2
174.99277	0.6
175.01318	0.2
182.04622	0.9
183.01463	1.7
183.04095	0.4
186.99240	35.9
187.99608	0.7
189.00812	19.5
190.01126	0.4
191.01933	0.4
198.99280	2.3
200.05638	39.7
200.97182	0.3
201.06017	0.9
205.03549	2.0
210.98318	1.2
212.97122	0.3
214.98709	0.8
217.00345	0.2
224.97070	0.3
230.98286	0.3
232.99686	0.3
242.98210	21.2
243.00914	0.7
243.06198	33.8
243.98550	0.6
244.06567	1.4
244.12920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70833	0.5
57.03444	12.9
58.00580	0.9
59.01378	10.1
61.98820	4.2
69.03445	1.0
70.99303	1.2
71.05020	3.1
71.60777	0.6
73.02941	2.4
78.00140	0.5
85.02948	6.1
86.03722	0.7
87.04508	53.8
91.91879	0.5
95.05016	0.6
97.06581	0.6
101.06081	11.1
111.08128	1.6
121.10213	3.2
135.08139	0.8
139.11226	0.9
153.09201	20.7
161.13335	5.1
168.14243	0.5
179.10707	0.8
179.14380	1.6
195.13841	1.1
197.11824	10.9
198.12114	0.7
198.40700	0.5
203.16028	0.5
214.34445	0.5
223.09778	1.4
223.13304	3.5
241.05321	1.6
241.10934	6.9
241.14439	100.0
242.05783	0.5
242.14796	7.1
245.42056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76374	0.6
59.01370	3.7
59.73868	0.7
61.98827	100.0
68.27214	0.7
69.65549	3.6
71.01379	3.3
72.99302	0.6
78.95911	3.2
82.02991	0.9
87.00894	0.7
90.97140	1.4
95.01405	1.3
99.00901	0.6
110.02489	2.3
112.07690	0.7
115.00454	0.8
118.96664	1.1
127.32781	0.6
132.98206	2.3
144.98209	2.9
145.01469	1.6
156.63950	0.7
156.98233	0.9
160.97684	2.6
165.01971	0.6
168.04292	1.1
173.54637	0.7
186.99237	25.9
189.00818	13.7
198.99245	1.7
199.80586	0.7
200.05795	1.0
242.06526	1.3
242.08430	0.9
242.98187	15.3
251.00838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09179	0.2
50.24009	0.2
55.01869	0.7
57.03437	0.7
59.01367	3.5
66.03484	13.4
66.10433	0.2
67.01875	0.3
68.01403	2.3
68.99807	0.3
69.03456	0.4
69.78562	0.4
69.78976	0.6
70.02966	0.5
71.01376	6.5
72.99310	0.6
73.02946	0.5
78.03471	0.2
79.01855	0.2
81.02200	0.4
82.02980	28.4
83.01380	2.0
83.03332	0.3
84.00898	0.2
84.04543	0.8
85.02939	0.7
86.57156	0.2
87.00869	0.7
89.02414	0.6
90.03473	0.2
90.97138	3.1
92.01469	0.3
92.05045	0.5
93.03448	0.3
94.02982	2.4
95.01383	0.5
96.04538	1.8
97.02962	0.3
97.71851	0.2
98.02452	0.3
98.06123	0.3
99.00881	2.3
101.02437	2.1
108.00916	0.2
108.04557	2.5
109.01714	0.3
110.02474	100.0
111.00883	1.0
111.02002	7.5
111.02802	1.8
112.12216	0.2
112.98806	4.2
113.02405	0.3
114.05627	0.2
115.00375	0.8
115.65318	0.2
116.98711	0.5
117.01916	1.6
118.96607	1.5
120.04543	0.7
122.02476	8.6
123.02787	0.3
124.04051	3.3
125.02378	0.3
126.05624	0.4
127.05124	0.4
128.03543	0.5
129.01944	2.0
132.03040	1.0
132.97258	0.4
132.98192	4.4
134.02483	0.4
138.01942	1.0
138.05597	0.6
139.02477	0.2
140.03534	11.0
141.00417	0.4
141.03854	0.3
142.99864	3.6
144.98181	4.0
145.00377	0.2
145.01460	0.7
146.99748	0.4
152.03526	18.1
153.03038	10.0
156.98181	1.3
159.01497	0.2
160.97681	4.1
162.95671	0.2
164.03545	0.3
168.98256	0.2
171.96877	0.3
172.97705	1.1
173.00903	4.5
173.98183	0.2
174.99277	0.6
175.01318	0.2
182.04622	0.9
183.01463	1.7
183.04095	0.4
186.99240	35.9
187.99608	0.7
189.00812	19.5
190.01126	0.4
191.01933	0.4
198.99280	2.3
200.05638	39.7
200.97182	0.3
201.06017	0.9
205.03549	2.0
210.98318	1.2
212.97122	0.3
214.98709	0.8
217.00345	0.2
224.97070	0.3
230.98286	0.3
232.99686	0.3
242.98210	21.2
243.00914	0.7
243.06198	33.8
243.98550	0.6
244.06567	1.4
244.12920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30556	0.6
55.01856	0.8
57.03444	11.6
57.64009	0.6
58.00575	0.7
58.03752	0.5
59.01383	5.1
61.98824	6.5
65.47024	0.5
69.03457	0.6
69.47040	4.2
71.01373	0.8
71.04995	2.0
72.99314	0.6
73.02930	2.5
73.49637	0.5
80.01799	0.5
81.03432	0.7
83.01408	0.6
84.02162	0.5
85.02946	6.2
86.03719	0.5
87.04504	36.6
88.04829	1.0
93.07026	0.6
95.05013	0.7
96.95983	1.0
101.06075	15.3
111.08140	1.7
116.15363	0.7
121.10191	1.4
123.08125	0.6
127.37028	0.6
130.08762	0.7
135.08060	0.7
136.80481	0.6
139.11259	0.7
151.07623	0.6
153.09198	16.6
161.13345	4.3
169.12259	0.6
177.12816	0.9
179.14339	1.7
181.06070	0.7
195.13879	2.3
197.04416	0.6
197.11816	2.6
223.07738	0.8
223.13470	2.8
240.99998	1.0
241.10559	2.8
241.14427	100.0
242.14801	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	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03442	7.2
59.01377	11.8
60.01724	0.7
61.98830	5.8
69.03445	2.4
71.01362	1.2
71.05020	4.4
71.51750	1.1
73.02926	1.3
81.03443	0.9
83.05033	1.3
85.02949	2.9
87.00877	0.9
87.04509	25.4
96.95998	2.0
97.06592	1.4
101.06087	5.8
109.06545	1.0
111.08172	1.1
121.10161	0.8
123.08109	1.1
125.09704	1.7
125.38288	0.7
133.55399	0.8
137.09692	1.2
153.09192	10.2
153.12814	3.7
161.09735	1.0
161.13403	1.8
165.09241	0.7
179.10777	5.3
179.14426	1.2
181.06064	1.0
181.08672	1.1
197.11815	100.0
198.12148	2.9
199.06297	0.7
223.09721	6.0
223.13390	3.1
230.96533	0.7
234.35112	0.7
241.00056	1.3
241.05659	1.4
241.10800	60.0
241.14442	52.5
241.18233	1.4
241.21712	2.4
242.11134	2.7
242.14804	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.36545	0.6
55.01873	0.8
57.03429	0.9
59.01374	0.7
61.98823	1.5
69.03449	3.0
69.31400	5.0
71.05019	3.7
83.04994	0.6
92.30035	0.5
92.72585	0.6
103.60252	0.6
123.08177	1.1
125.09707	2.0
137.32524	0.6
147.91878	0.7
151.11266	1.2
153.12846	3.2
161.09660	1.3
179.10765	7.1
183.44447	0.6
197.11815	100.0
198.12131	4.0
208.73523	0.6
223.09700	2.2
239.22673	0.6
241.10797	86.7
242.11055	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03447	0.9
59.01377	43.4
61.98820	1.8
63.20690	0.6
69.03458	3.6
71.51151	0.8
71.51542	0.7
71.52198	0.7
72.99305	3.8
87.25461	0.5
93.58611	0.7
94.44967	0.5
96.95989	1.9
105.07072	0.9
107.08656	17.1
108.08975	0.9
109.01173	1.0
119.08645	1.8
123.02702	1.0
123.04544	0.7
123.08165	1.7
133.02779	0.6
151.07629	1.9
153.00163	0.8
153.03761	1.6
153.09230	1.3
163.07739	0.9
169.08711	0.8
169.12300	1.5
170.71654	0.6
181.08699	14.0
181.10255	0.8
197.11841	3.1
199.09746	100.0
200.10092	4.1
216.17114	0.6
227.75670	0.6
241.00134	1.7
241.05287	0.7
241.10783	6.8
241.14435	1.5
241.18143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.8
59.01377	30.6
59.10060	5.1
61.98828	29.4
70.61953	13.5
70.62304	7.0
71.01381	35.1
72.99301	12.6
73.02925	10.7
75.00870	8.4
78.95888	19.4
80.51085	5.7
83.01380	10.6
85.02935	11.1
87.00867	16.0
89.02418	5.7
94.76293	5.9
96.96925	8.1
99.00883	44.0
101.02437	8.0
111.00864	28.0
112.98812	100.0
114.27861	5.5
115.00352	19.1
117.01886	7.2
124.98750	5.4
129.01968	40.9
129.96785	5.1
142.99863	69.8
145.01407	15.1
145.15764	5.7
173.00917	99.3
181.06075	15.6
191.45316	5.3
205.03496	64.9
208.98543	23.4
222.99843	6.0
241.01143	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	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.8
59.01377	30.6
59.10060	5.1
61.98828	29.4
70.61953	13.5
70.62304	7.0
71.01381	35.1
72.99301	12.6
73.02925	10.7
75.00870	8.4
78.95888	19.4
80.51085	5.7
83.01380	10.6
85.02935	11.1
87.00867	16.0
89.02418	5.7
94.76293	5.9
96.96925	8.1
99.00883	44.0
101.02437	8.0
111.00864	28.0
112.98812	100.0
114.27861	5.5
115.00352	19.1
117.01886	7.2
124.98750	5.4
129.01968	40.9
129.96785	5.1
142.99863	69.8
145.01407	15.1
145.15764	5.7
173.00917	99.3
181.06075	15.6
191.45316	5.3
205.03496	64.9
208.98543	23.4
222.99843	6.0
241.01143	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	239.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94931	0.6
56.16464	0.5
57.03445	78.9
58.03804	0.8
59.01376	3.7
69.03460	4.2
69.45228	3.8
71.05010	2.8
71.13622	0.6
72.33816	0.5
77.43700	0.5
81.07089	1.3
87.00893	0.8
95.05028	1.0
97.06579	0.7
104.82620	0.5
107.05019	2.6
109.06581	14.4
111.04542	0.6
120.05791	2.2
121.06603	0.9
123.08160	25.2
124.08437	0.7
125.08997	0.5
125.09734	4.2
133.06544	0.6
135.08168	6.8
151.11273	17.2
152.11674	0.9
177.12846	2.4
179.05608	3.7
179.10820	3.6
195.13887	67.1
196.14223	2.5
223.17366	0.6
239.12868	100.0
240.13190	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	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31457	1.0
59.01377	98.9
60.01680	1.2
60.49282	0.9
61.98833	1.7
70.24872	2.1
71.01376	5.5
83.01399	1.1
84.23828	1.0
85.02930	4.2
87.00871	16.9
87.96465	0.8
89.02435	2.2
97.02952	1.9
99.00880	4.9
101.02450	2.0
112.82349	0.9
113.63916	0.9
117.01908	5.4
125.02431	2.1
141.01915	1.7
159.02980	1.3
161.04556	17.4
167.12180	0.8
177.03961	1.4
179.05608	100.0
180.05988	1.7
196.63373	0.9
239.05623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05112	0.9
59.01377	94.7
59.03867	0.9
69.33851	1.0
70.40904	2.5
70.41263	1.9
71.01366	5.6
73.02934	3.0
82.52287	1.1
85.02940	4.7
87.00870	18.8
89.02440	1.9
97.02968	1.8
98.20608	1.3
99.00861	4.4
101.02425	2.3
113.02423	1.8
117.01954	5.5
125.02435	3.6
133.78185	1.0
141.01912	2.0
143.83705	0.9
159.03038	1.2
160.94762	1.0
161.04556	19.0
165.04002	1.2
177.04031	1.4
179.05605	100.0
180.05986	2.3
239.07579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
57.03449	0.8
59.01379	13.0
61.98822	3.0
63.11695	0.6
68.01376	0.7
69.34789	4.6
71.01371	1.7
71.19872	0.8
75.00849	1.0
80.02656	2.3
81.03474	3.5
83.01372	0.7
85.02945	1.1
109.06581	1.3
112.45358	0.7
122.03724	6.2
123.08173	5.2
123.78332	0.6
125.09715	8.6
127.07644	2.0
127.85014	0.6
129.01910	1.0
137.09712	2.9
147.81949	0.6
149.06065	0.6
149.09720	2.9
151.07660	0.7
155.07149	1.0
163.11285	1.5
165.09196	1.0
165.12830	8.3
169.08722	1.1
169.12094	0.6
169.26251	0.6
173.35048	0.6
175.14999	0.9
177.04042	0.7
178.09966	2.4
178.59904	0.7
179.10765	26.4
180.07899	1.4
180.11082	1.7
183.42920	0.6
191.14369	1.3
193.08630	1.1
193.16029	3.3
218.99304	1.2
219.13911	1.7
237.14948	100.0
238.15359	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	237.1495
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
51.49606	0.2
52.89317	0.3
57.03433	0.6
59.01377	16.8
61.98827	0.5
71.01369	0.4
71.43883	0.5
80.02661	1.9
81.03457	5.7
83.79625	0.3
87.04491	0.5
93.03464	0.8
95.05036	0.4
97.52534	0.3
109.06637	0.4
121.02944	0.5
121.06532	0.3
123.08155	8.3
125.09711	11.2
125.10629	0.6
129.67451	0.3
137.09712	3.5
147.08160	0.4
149.06117	0.4
149.09721	3.3
163.11246	1.3
165.12843	10.6
169.08656	1.6
175.14828	0.4
177.12762	0.3
179.10754	0.7
191.14389	1.9
193.15988	3.1
194.16415	0.3
218.99348	0.4
219.13947	1.0
221.53427	0.3
237.14946	100.0
238.15262	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28207	0.1
61.98833	1.1
71.51665	0.2
79.95741	0.1
121.02956	0.2
134.03706	0.4
135.04504	0.5
136.05289	0.4
145.35201	0.1
148.05292	7.1
149.05812	0.2
149.09688	1.1
162.06897	0.3
175.07578	0.2
176.08443	0.9
177.09189	36.9
178.09561	1.6
190.09955	1.5
191.10760	0.7
192.11540	28.3
193.11885	1.3
201.09190	0.6
203.07083	0.5
206.09547	0.2
217.06725	0.2
217.08704	2.6
218.09453	7.6
219.09789	0.4
224.10641	0.2
236.10510	100.0
237.10887	5.1
237.14804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17514	0.3
56.59563	0.3
59.01382	1.6
69.74384	0.6
69.74809	1.4
71.01378	28.6
72.01746	0.4
75.00888	0.3
77.03986	0.4
80.96525	0.5
81.42399	0.3
83.01382	0.8
87.00847	0.5
96.95971	0.5
98.19973	0.5
106.55491	0.3
106.97358	0.3
115.00370	10.2
121.02949	100.0
122.03249	3.5
129.01920	0.6
133.01349	0.5
135.04469	0.8
137.09789	0.5
139.11255	0.6
149.06094	0.4
161.02411	0.5
175.11380	0.4
179.03514	0.6
180.03775	0.3
183.10251	1.4
193.05153	0.4
199.13361	0.8
218.99271	0.8
237.03983	0.7
237.07664	0.7
237.11443	0.6
237.14807	0.6
243.12346	4.1
244.12820	0.4
245.64029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
57.78310	0.2
59.01393	1.0
67.05521	0.5
69.42767	1.4
71.01375	5.1
73.02923	0.8
80.96503	0.2
81.03442	0.4
83.01387	0.3
83.05054	0.4
87.04495	0.7
89.06061	1.6
93.03433	0.4
96.95989	0.3
107.05024	0.9
107.08651	1.0
115.00353	1.1
121.02950	1.2
121.06581	0.5
123.08148	3.0
131.08626	0.6
133.05577	0.3
133.06575	4.4
135.04532	0.3
139.11269	0.4
147.08142	0.3
149.09703	100.0
150.10054	4.6
150.92709	0.2
158.20282	0.2
166.01605	0.3
175.07625	0.4
175.11273	0.6
181.12346	0.3
183.10242	0.7
193.08694	1.2
218.99406	0.2
237.07788	1.1
237.11285	4.8
238.11646	0.3
243.12343	2.2
244.12727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0723
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.06381	0.5
57.79599	0.5
58.99604	2.8
59.01377	14.3
61.98833	2.5
70.23476	1.9
71.01376	1.5
72.00905	4.6
72.99304	0.5
73.02942	0.6
78.41754	0.6
79.95757	0.5
80.96541	0.9
83.01402	0.8
85.02973	0.5
86.02489	2.0
87.00864	3.6
87.05637	1.6
92.05051	6.0
98.19981	0.6
99.00858	1.3
101.02444	0.6
103.02220	5.2
105.03793	100.0
106.04136	1.6
108.02135	0.6
113.02409	0.6
118.02958	0.7
118.06635	1.2
120.04554	2.0
121.03001	0.6
128.05070	1.3
130.06615	12.1
131.03757	7.2
131.04694	0.9
134.06097	2.1
144.04565	8.5
146.02461	2.2
146.06114	5.9
147.04596	1.0
148.04044	13.2
148.05145	0.5
154.05298	0.6
155.06151	1.3
160.04028	1.8
164.07190	0.9
172.04042	1.1
173.07237	3.2
174.05573	11.6
175.04335	5.1
175.05855	1.0
190.05072	8.7
191.08272	2.2
193.05379	18.3
193.07092	1.2
194.05746	0.7
217.06229	1.0
218.04538	1.0
220.03680	0.6
235.07317	13.1
235.16182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1184
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
55.01871	10.3
57.03441	7.1
58.13573	2.0
59.01377	83.6
59.60712	1.8
66.13613	1.8
67.39462	1.8
69.19115	15.5
71.01379	84.4
71.05022	3.1
72.99304	7.1
73.02559	2.8
73.02941	34.3
73.06564	2.0
75.00845	2.1
83.01379	20.6
85.02947	46.5
86.00123	3.5
87.00880	4.6
89.02449	6.4
95.01382	6.6
99.00869	17.1
101.02437	100.0
102.02789	2.5
111.00880	3.4
113.02448	34.6
115.00368	1.8
129.01892	2.2
135.04492	3.8
143.03467	2.8
159.02956	7.1
161.02502	2.6
161.04532	19.1
179.03517	2.2
191.07108	4.7
195.56224	1.8
235.06094	3.8
235.09578	2.2
235.11847	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	21.7
59.01378	100.0
65.08418	2.7
67.01871	5.9
68.99810	4.7
70.50860	10.3
71.01011	5.2
71.01379	71.4
73.02943	14.9
75.74440	3.1
83.01387	14.2
85.02936	14.2
86.34216	3.3
87.00827	6.9
87.16444	3.2
93.77126	3.6
99.00884	53.1
101.02441	58.1
111.00872	31.3
115.00355	4.3
127.03960	11.4
129.01935	39.0
145.01430	68.0
171.02913	5.8
173.00806	6.9
174.86276	3.1
184.49170	3.0
200.84329	2.8
202.51196	2.9
210.98888	3.2
233.15431	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94502	0.2
56.22046	0.2
59.01377	4.6
59.96719	0.6
60.97502	0.4
67.93108	0.2
74.99066	7.7
91.02209	0.5
93.00137	1.6
93.03467	0.9
112.02662	0.2
118.96182	1.1
134.99391	6.8
135.99384	0.3
136.97299	1.6
141.07442	0.3
143.05305	1.2
149.00945	63.4
150.00922	2.2
150.88329	0.3
150.98889	0.5
152.33429	0.2
159.08469	1.6
161.06404	3.1
164.73199	0.2
173.04561	1.2
201.04106	0.3
205.65565	0.3
215.05640	1.0
217.07185	91.6
218.07320	5.9
233.10310	100.0
234.10464	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	235.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	3.1
59.01376	7.0
61.98823	0.5
69.89445	1.5
71.01369	0.9
85.02960	0.4
87.00867	2.9
103.02226	5.7
105.03792	100.0
106.04143	2.0
175.04329	5.3
193.05386	19.2
194.05794	0.7
235.06424	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.16
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03445	1.4
59.01373	0.3
63.96359	0.2
69.91267	0.7
71.01374	0.3
74.99552	0.2
82.38101	0.2
87.04520	0.2
98.89040	0.2
115.07632	0.5
125.09706	0.4
127.11270	1.8
134.03751	1.0
145.08647	0.4
155.14459	0.9
171.10263	3.2
183.13850	0.7
185.15396	0.3
195.13893	0.6
202.06364	0.2
211.13440	0.2
213.09187	0.8
213.14946	4.1
214.15498	0.2
228.18855	0.2
229.14418	3.1
230.14812	0.4
231.15988	100.0
232.16330	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34189	2.4
55.01901	2.8
57.03446	19.4
59.01377	100.0
67.01880	5.1
67.47123	2.2
68.99813	4.9
71.01377	67.1
71.05006	3.7
71.19337	3.1
72.30013	2.0
72.41034	2.0
73.02940	16.6
78.62633	2.3
83.01386	15.2
85.02944	16.7
85.53985	2.3
87.00880	4.2
87.04492	2.2
93.03425	3.3
96.96027	6.3
99.00878	37.1
101.02452	25.5
111.00883	29.0
115.00347	6.5
116.07115	3.4
117.05584	33.8
125.02414	2.4
127.04007	5.9
129.01942	36.3
133.01471	3.9
145.01410	25.4
159.00360	2.4
171.10190	3.6
173.00887	4.3
209.42392	2.6
215.09167	3.1
217.73196	2.4
220.43587	2.4
233.04568	3.3
233.10268	13.2
233.15486	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	231.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.5
59.01369	3.3
67.06563	0.4
69.17890	1.7
69.18317	2.5
71.01377	65.2
72.01736	0.8
83.05038	0.6
87.92544	0.6
109.02965	2.3
115.00373	17.5
115.07647	100.0
116.07977	2.7
121.02979	0.5
121.06721	0.5
122.03796	0.9
134.03748	12.2
135.04472	0.6
146.03743	1.2
148.05315	1.5
158.03738	1.9
158.80855	0.5
159.04498	5.5
172.04048	0.4
172.05267	2.8
173.06055	4.7
174.06830	1.3
175.07628	1.1
183.04509	0.5
184.05241	0.8
187.04037	4.1
187.07640	20.2
188.08197	0.7
189.09218	0.5
197.06024	2.6
198.06889	0.5
201.05557	3.7
201.09131	0.6
202.06337	16.1
203.06712	0.8
203.10757	3.4
213.09174	7.4
216.07906	1.3
222.91844	0.6
231.06567	1.1
231.10263	37.5
232.10587	2.0
239.06763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1023
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.83860	0.3
57.03432	0.3
59.01373	3.6
59.08677	0.2
68.54211	0.3
69.03452	0.7
71.01374	2.2
77.32536	0.3
77.68801	0.3
81.10355	0.3
85.02941	1.2
96.96009	0.4
97.06584	0.5
98.20779	0.5
109.02944	0.6
115.00354	0.7
115.07643	3.1
122.03777	0.4
129.33734	0.3
130.04237	0.8
134.03729	23.5
135.04454	1.2
144.05753	0.4
146.03740	1.7
147.04536	0.3
148.05241	0.4
149.06042	0.7
151.07668	2.1
152.03436	0.4
156.05760	0.4
158.03702	3.0
159.04495	7.9
159.08125	1.0
160.05179	0.3
161.02393	0.6
161.06065	0.4
161.09721	0.8
162.03035	0.4
169.06586	0.3
171.10291	0.3
172.05287	11.9
173.06062	12.3
174.03175	0.6
174.06825	2.6
175.07628	2.1
183.04575	0.6
184.05257	0.9
185.09566	0.6
187.04100	7.0
187.07620	100.0
188.04642	0.6
188.08025	5.0
189.09122	0.4
197.06004	1.4
198.06842	1.0
200.04663	0.4
201.05556	20.8
202.06334	41.3
203.06781	2.5
203.10753	4.5
204.04245	2.0
213.09204	11.0
214.09499	0.9
215.07141	0.8
216.07907	2.5
229.08589	0.4
231.10236	64.4
232.10565	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70905	0.4
52.47229	0.4
57.03434	1.0
59.01371	1.2
63.00824	0.3
65.72218	0.3
66.66638	0.3
71.01382	0.9
71.05003	0.7
71.28106	0.4
73.02943	0.4
83.05006	0.3
84.02164	0.6
85.02956	0.8
97.06586	0.6
98.72196	0.3
100.43923	0.4
123.08124	0.3
125.06091	0.4
125.09705	3.3
127.11282	4.2
155.14459	1.9
165.12939	0.7
167.14398	1.4
171.10248	2.3
172.05251	0.9
174.03197	2.1
183.08095	0.6
183.13847	1.0
185.15492	0.3
186.06644	0.4
199.03952	0.4
200.04791	2.1
201.09195	2.3
209.11844	2.3
211.07640	0.4
211.13396	5.7
212.13741	0.5
224.81384	0.4
229.08687	7.1
229.14426	100.0
230.08842	0.4
230.14751	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.85295	0.2
57.03447	1.3
62.00861	0.2
69.63727	1.3
71.05008	0.5
83.05020	0.5
84.02156	0.4
85.02959	0.6
123.08247	0.3
125.09710	2.6
127.11272	4.0
129.33028	0.3
150.55278	0.2
155.14438	2.0
158.41325	0.2
159.96385	0.2
160.06995	0.2
163.11031	0.2
165.12766	0.5
167.14400	1.1
171.10243	4.2
180.53914	0.2
183.13860	1.1
185.11815	0.4
193.12338	0.4
201.14923	0.4
209.11841	2.6
211.13371	6.5
229.14409	100.0
230.14735	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	230.0125
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01360	3.1
66.03488	1.4
71.01369	1.9
72.01722	0.9
72.99306	9.7
73.01163	7.3
80.05063	2.7
81.79608	0.8
82.02972	8.0
87.00862	2.1
89.77686	0.8
96.04545	28.7
98.02483	1.9
98.19839	1.8
98.99109	4.3
99.00880	1.6
100.01206	1.0
101.02465	1.0
108.04545	30.8
112.01221	1.5
112.98811	1.8
113.99244	2.7
114.00183	88.5
114.05602	1.1
115.00409	1.6
127.07626	2.6
132.98169	3.9
142.03310	100.0
142.99760	0.8
143.03635	2.0
158.99559	0.9
174.01286	1.5
186.02287	39.7
187.02686	1.2
188.97160	12.6
189.07698	2.2
230.01257	93.4
230.98190	1.6
231.01569	3.4
231.08737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0127
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
54.30413	0.9
66.03509	1.0
68.54793	0.9
69.39571	1.3
69.39974	5.7
73.01170	6.5
80.05052	2.6
81.00020	0.8
82.02984	6.1
86.25307	0.8
92.38809	1.1
93.15047	0.8
96.04549	26.7
98.99091	5.2
108.04547	28.5
112.90517	0.9
114.00185	87.9
115.00527	1.5
135.98488	0.8
142.03313	100.0
143.03587	1.1
148.65416	1.0
150.85419	0.9
151.04070	0.8
170.34358	0.8
180.30920	1.0
184.46695	0.9
186.02281	39.6
230.01251	91.0
231.01591	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01873	1.3
55.38058	0.1
60.99321	0.1
69.43494	0.2
69.43897	0.7
71.01382	0.9
73.02943	100.0
74.03278	0.9
113.06099	0.9
115.00400	0.2
117.01931	0.5
125.09724	0.2
125.62281	0.1
129.09227	0.1
155.10741	0.4
186.06732	0.2
200.04745	0.1
201.09248	0.1
229.08951	0.8
229.14427	34.7
230.08911	0.2
230.14812	1.4
231.95146	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32556	0.3
57.03436	0.8
66.43744	0.3
67.01884	0.2
71.05011	0.4
73.02934	0.7
77.03046	0.3
81.68079	0.3
82.14240	0.2
83.05018	0.3
83.86991	0.2
84.02155	0.6
85.02915	0.5
96.43518	0.3
97.06588	0.3
99.08147	0.5
111.19148	0.2
125.09731	2.3
127.11276	3.2
129.09225	1.5
133.55341	0.3
155.14381	0.7
165.12849	0.5
167.14398	1.8
171.10248	3.5
172.05334	0.6
173.02650	0.3
183.13922	1.3
193.12277	0.7
200.04797	0.9
201.09148	0.6
209.11829	2.6
211.13380	8.7
212.13667	0.7
229.08768	2.4
229.14429	100.0
230.14763	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.61641	0.2
57.03445	1.6
69.71107	1.1
71.01373	0.8
71.05002	0.7
76.25005	0.2
78.88506	0.2
80.72140	0.2
83.05013	0.4
84.02156	0.6
85.02943	0.6
97.06585	0.6
98.20703	0.2
104.62897	0.2
125.06095	0.3
125.09708	4.3
127.11275	4.5
140.54932	0.2
155.14401	2.4
165.12814	0.8
167.14397	2.2
171.10220	0.5
174.03236	0.2
182.12619	0.2
183.13866	0.7
185.06181	0.2
190.84198	0.2
200.04768	0.4
201.09198	0.3
209.11800	1.4
211.13397	3.3
229.14417	100.0
230.14774	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	229.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01172	1.3
55.01858	3.7
57.03197	1.9
57.03441	18.1
59.01367	7.0
61.98817	1.9
68.99801	1.5
69.03449	6.1
71.01376	10.0
71.04128	1.3
71.05006	5.7
71.50610	2.5
72.00870	1.8
72.99304	2.6
73.02915	2.3
75.00858	2.6
79.05489	2.0
81.03477	7.7
81.40663	1.5
83.01363	4.6
83.05023	13.4
84.99242	1.3
85.02944	6.8
87.00873	9.6
87.04530	1.5
88.04029	4.1
93.28939	1.6
94.46581	1.5
95.01358	6.1
95.04961	3.3
97.02930	9.2
97.06576	2.8
99.00877	21.9
99.04514	16.0
101.02422	2.2
108.04533	2.3
109.02930	3.4
109.06580	10.4
111.00877	70.5
111.04482	10.3
111.08144	4.2
113.02439	19.2
114.00191	4.7
114.05659	1.6
115.03985	1.9
116.07159	5.1
116.85461	1.6
119.07851	2.3
119.08659	37.9
121.02860	2.0
121.06561	5.5
123.00814	2.5
123.04508	4.2
123.08117	1.6
127.04000	4.0
127.07654	6.7
129.01939	74.8
130.02328	1.8
130.08699	2.1
131.08659	6.0
137.02429	7.5
137.09689	10.4
137.99493	1.4
139.03987	4.2
139.07632	8.9
142.03319	3.6
143.11896	2.6
144.03026	7.2
149.09669	4.8
152.08366	1.7
155.03494	64.8
155.10805	2.5
155.52205	1.6
167.03481	27.7
167.10788	3.4
185.04552	14.0
185.16571	5.4
187.18942	1.7
193.01363	1.7
199.02518	4.2
209.25842	1.6
216.86322	1.4
229.03476	9.5
229.10760	100.0
229.15671	19.4
230.01366	2.7
230.11075	3.7
230.15508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.87226	0.4
57.76279	0.4
58.58762	0.5
61.65664	0.4
69.18686	0.4
69.78381	1.9
71.05018	0.5
72.49685	0.4
80.02674	1.9
81.03445	1.9
83.05019	7.6
84.02168	3.7
95.05006	1.3
97.82133	0.4
109.06603	0.6
135.08182	0.7
163.11249	4.9
165.12842	3.2
181.12328	1.2
191.10796	1.1
209.11809	100.0
210.12128	4.4
216.70940	0.4
227.12851	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	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80264	0.5
51.15810	0.5
57.03446	1.4
69.33872	1.9
69.34293	2.5
77.45178	0.5
83.05021	1.5
96.25330	0.6
97.06582	1.8
111.08128	3.7
116.63463	0.5
163.11256	1.9
165.12831	26.3
166.13173	1.6
183.13882	27.5
184.14285	1.2
209.11792	33.9
210.12144	1.6
213.26616	0.5
227.12865	100.0
228.13165	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.36707	0.2
55.98140	0.2
57.03439	0.4
59.01371	2.9
67.01859	0.3
67.17934	0.2
68.30151	0.2
68.99529	0.2
71.05037	0.2
80.02665	0.3
81.03442	0.5
83.05022	1.0
84.02164	0.5
87.95622	0.2
89.04728	0.2
93.03442	0.3
95.01387	0.6
99.92607	0.5
111.00887	0.4
111.08170	1.2
112.98583	0.3
119.36205	0.2
126.61302	0.2
126.90536	0.3
129.50385	0.2
139.00409	0.3
139.11298	1.4
143.45270	0.2
154.99814	0.3
163.11279	0.5
165.12839	21.2
166.13168	0.8
167.10735	0.8
181.12329	0.6
183.13889	100.0
184.14235	4.2
185.11813	3.7
199.13416	0.8
209.11810	11.6
210.12199	0.6
226.80074	0.4
227.12875	27.6
227.16246	3.2
227.20065	1.3
228.13229	1.4
229.45413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03439	0.4
59.01370	0.3
64.09927	0.2
69.91322	1.2
70.55325	0.2
71.01366	0.5
71.04995	0.4
80.02675	1.8
81.03453	1.8
83.01421	0.2
83.05023	6.7
83.54595	0.3
84.02163	3.6
84.05372	0.3
86.47794	0.3
88.95300	0.2
93.81194	0.2
95.05019	0.9
97.06570	0.3
99.00935	0.2
109.06602	0.4
125.06076	0.6
125.09655	0.3
135.08141	0.7
139.11316	0.3
147.03441	0.3
147.11813	0.5
153.12708	0.2
162.25223	0.2
163.11284	5.4
164.11546	0.4
165.12851	4.2
181.12338	0.8
183.13954	0.4
187.88345	0.2
191.10826	1.4
199.13339	0.8
209.11807	100.0
210.12173	5.0
227.07123	0.5
227.12868	4.9
227.20239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.3
59.01376	31.2
61.03384	1.1
69.03456	8.9
71.01372	5.2
71.05020	2.1
72.99297	1.1
73.02959	2.2
73.48447	1.0
80.02650	2.1
81.03442	1.9
81.77991	1.1
83.01376	1.2
83.05021	8.0
84.02156	3.7
87.60658	1.0
95.05026	1.6
99.00906	1.4
108.94244	1.1
111.08125	2.4
115.00374	1.2
120.39413	1.0
135.08110	1.2
137.09703	4.7
139.11285	96.4
140.11679	2.4
141.09171	1.9
155.10793	11.3
163.11307	6.9
165.12814	4.7
183.10257	57.9
183.13757	3.1
184.10555	2.4
191.10777	2.3
209.11812	100.0
210.12112	4.0
227.03491	2.1
227.07170	2.2
227.09296	8.6
227.12869	22.0
227.20125	2.7
228.13004	1.3
229.08012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95350	0.2
57.03432	0.6
59.01360	1.1
61.89383	0.2
62.30869	0.2
67.01867	0.3
68.99844	0.3
76.05922	0.2
80.02691	0.3
83.05027	0.9
84.02154	0.3
95.01398	0.4
97.06599	0.5
111.08162	1.3
116.65350	0.2
132.56947	0.3
139.00410	0.3
139.11279	0.6
156.13866	0.3
163.11296	0.6
165.12836	20.1
166.13203	0.9
183.13884	100.0
184.14310	4.4
185.11877	1.6
199.13387	0.3
209.11810	12.1
210.09094	0.2
210.12054	0.4
226.80165	0.4
227.07144	0.6
227.12881	24.8
227.16324	5.3
227.20042	1.6
228.13159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
62.01163	0.4
73.02943	17.3
93.03458	1.8
95.04465	0.6
95.05015	3.4
107.05024	0.5
109.06577	0.8
110.79301	0.4
121.06553	0.7
145.10168	0.4
163.11279	11.7
181.01718	0.4
181.12328	100.0
182.12659	5.5
207.10248	2.7
212.93303	0.5
213.98552	0.4
225.00414	0.8
225.11302	50.4
226.11685	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	225.1495
Annotation	MKN-003C
Peak:m/z	Relative Intensity
59.01382	3.0
60.82864	0.5
61.98814	1.8
64.03159	0.4
70.59605	1.1
70.59946	0.6
71.01379	0.7
83.05027	0.9
93.03458	4.3
126.90504	1.8
137.02425	0.9
143.07124	0.5
143.86485	0.6
163.14838	0.9
165.12820	0.4
169.12335	0.7
177.12868	0.5
178.83372	0.7
181.12329	1.8
181.15996	1.1
189.12807	0.5
195.13896	7.0
197.15408	4.3
206.99231	0.6
207.10236	1.5
207.13867	25.2
208.14153	0.7
222.37517	0.6
224.90550	1.9
225.00427	2.0
225.11298	3.1
225.14931	100.0
225.92636	0.8
226.15266	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	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01376	6.6
61.98845	1.1
65.35831	1.0
69.49884	7.3
71.01017	1.3
71.01384	16.5
71.01772	1.2
72.02166	1.5
73.02940	28.6
75.13147	1.1
82.09518	1.0
83.05019	2.2
85.02946	1.6
87.00869	3.6
91.05517	9.1
93.03479	1.3
95.05019	1.1
96.95998	4.3
97.06564	1.4
98.20698	1.0
112.96826	1.0
117.07099	3.3
121.02954	1.2
121.06566	3.9
121.67303	1.0
133.06586	7.1
134.07297	1.7
135.06503	12.4
135.08148	2.5
137.09737	13.9
147.43201	1.1
149.06071	1.3
149.09702	4.2
151.11267	3.1
159.08174	1.5
161.06070	9.2
161.09714	33.6
162.06514	1.2
162.10033	2.0
163.04004	15.9
163.11276	3.1
165.09178	3.1
166.09576	1.0
179.10796	1.8
187.11282	13.8
190.09976	25.6
191.10390	1.2
193.01433	1.4
205.12315	100.0
206.12675	6.3
208.03723	2.8
223.06110	21.2
223.08098	3.3
223.13332	9.8
224.06560	1.8
242.11147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0403
Annotation	cspyrone B1
Peak:m/z	Relative Intensity
59.01368	0.9
63.02396	0.4
65.00320	16.5
68.99789	0.2
69.42656	1.5
83.05021	0.2
89.00326	6.3
91.01888	3.2
93.03448	1.9
94.00598	0.2
97.02944	12.8
98.03312	0.4
108.02203	0.2
109.06595	0.3
121.02961	5.9
126.90519	0.7
134.82234	0.2
137.02415	0.6
140.62938	0.2
149.99585	5.2
165.01915	100.0
166.02245	2.9
181.12386	0.6
183.02986	1.2
183.10225	0.3
188.62852	0.2
193.01395	5.5
195.02939	0.2
197.04501	0.4
207.10265	0.7
210.05217	0.3
224.80322	0.4
224.90562	0.7
225.00514	1.2
225.04030	1.9
225.07549	0.2
225.11295	2.3
225.14856	1.0
225.74792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.8
59.01377	1.2
59.96553	1.0
69.03458	1.2
70.51214	2.1
70.51548	1.1
71.01373	3.1
71.05006	2.2
78.03825	1.0
78.64289	1.1
80.18620	1.0
83.05000	1.5
85.06585	2.1
93.03445	2.8
94.04234	26.6
95.05027	1.3
96.96051	1.6
98.16469	0.9
99.00879	5.0
107.08670	1.2
109.64893	1.0
119.08655	4.6
121.06573	1.0
122.07368	6.4
135.08128	2.9
137.09717	100.0
138.10075	1.9
141.19957	1.0
149.70795	1.0
151.11314	0.9
152.80022	1.0
153.09227	1.4
154.08644	1.5
181.07161	2.1
181.08693	39.4
181.12224	1.7
207.10269	0.9
225.07758	2.3
225.11362	5.0
247.05460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81435	0.6
53.89928	0.6
57.03445	4.9
59.01375	100.0
60.01722	0.6
63.62195	0.5
67.79810	0.5
71.01386	2.1
71.51205	1.0
73.63219	0.6
74.89029	0.6
81.03455	1.7
83.05019	1.4
93.03464	2.1
95.04994	1.8
96.96016	5.4
97.06590	9.1
98.43923	0.6
103.13291	0.6
108.02123	0.6
109.06579	1.4
109.08504	0.9
110.34464	0.6
121.06618	0.7
121.16555	0.6
121.70984	0.6
123.08160	2.0
126.90491	1.1
135.08156	2.4
137.02457	1.2
137.09744	3.7
142.66577	0.6
147.08134	4.2
151.11285	1.1
163.11298	1.4
165.09198	2.0
181.08710	1.7
181.12321	3.1
195.02824	1.0
207.10210	1.3
225.00609	5.4
225.07822	1.8
225.11295	50.2
226.11539	2.4
226.87686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.15702	0.4
57.59464	0.5
58.48606	0.5
59.01383	1.4
61.03244	0.4
61.69378	0.4
71.01366	0.4
73.02943	16.1
93.03476	1.4
95.05020	2.7
98.19879	0.8
106.29790	0.4
107.05045	0.5
109.06573	0.8
113.06101	0.7
126.90424	0.4
161.09686	0.5
163.11281	11.6
164.11650	0.8
181.12337	100.0
182.12650	6.0
182.43509	0.4
188.23860	0.4
207.10266	3.4
224.90596	0.4
225.00438	0.8
225.11305	54.6
225.99947	0.5
226.11594	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
65.37318	0.3
69.03461	0.5
69.99079	0.9
81.03429	0.6
83.05026	0.8
87.96918	0.4
93.03456	2.4
95.01334	0.3
97.02940	9.0
97.06595	0.5
98.03341	0.4
99.00874	3.3
109.06586	7.5
110.03726	3.7
111.04536	0.7
121.06586	0.6
123.04516	0.6
125.09716	1.3
126.90507	0.6
129.27380	0.3
135.08186	1.9
136.05286	1.7
137.02524	0.3
137.04312	1.7
137.09782	0.3
138.01933	0.4
142.02711	4.2
145.10223	0.5
153.12871	0.5
161.09692	1.2
161.75581	0.3
163.11266	11.6
164.11623	0.8
165.09204	0.7
179.10764	0.4
181.12329	27.5
182.01022	0.5
182.12682	1.1
183.10252	0.7
189.09126	1.0
197.11816	1.4
207.10245	65.7
208.10588	3.6
224.90573	0.4
225.00343	1.3
225.11302	100.0
226.11629	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	225.1131
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.30107	0.8
59.01377	14.4
61.98841	1.0
67.05505	1.1
69.03458	2.2
70.37183	3.0
71.01383	1.0
71.05005	1.6
73.02940	1.3
80.02672	2.2
81.03458	6.4
83.01422	1.6
83.05028	5.7
84.02148	3.0
85.02930	1.5
93.03445	8.0
95.05035	1.9
97.02953	12.4
99.04530	1.9
107.05033	1.2
109.02933	1.2
109.06588	64.4
110.03751	4.5
110.06910	1.2
111.04484	1.1
120.31155	0.9
121.06571	3.3
123.04475	1.1
125.09743	1.1
126.90521	2.3
134.32932	1.1
135.08153	7.8
136.05304	1.3
137.02457	1.6
138.01936	1.3
142.02704	5.6
161.09709	2.0
163.11282	35.5
164.11661	1.3
165.09224	1.1
179.10793	1.3
181.10677	1.4
181.12320	25.2
182.12614	1.4
183.10193	1.1
189.09146	1.6
195.02907	1.4
197.11795	1.2
198.25352	0.9
202.52519	0.8
202.79431	0.9
207.10245	100.0
208.10612	6.0
224.80391	0.9
224.90614	1.3
225.00340	4.6
225.11304	82.7
225.14943	4.4
225.99965	1.3
226.11584	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	219.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05707	1.1
55.19656	1.1
55.87831	1.0
56.85718	1.0
59.01375	100.0
59.09155	1.0
59.76526	1.1
61.98823	1.9
63.96218	1.5
98.99457	1.1
105.74112	1.0
111.04536	1.3
121.06615	1.5
134.03737	1.1
147.04395	1.2
149.06059	4.1
159.03006	1.1
173.39745	1.6
175.03963	1.9
175.07637	1.7
175.11261	1.7
178.69115	1.1
204.04335	7.7
204.11507	3.1
219.02965	1.5
219.06584	5.0
219.10242	3.3
219.13942	13.2
219.17467	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	221.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59256	1.6
53.04024	1.4
59.01376	47.3
60.99305	18.3
69.39088	3.7
69.39500	7.0
70.83328	1.4
71.01386	5.9
72.99303	100.0
73.02943	6.3
75.00864	11.7
85.02941	2.4
87.00874	8.4
89.02438	17.5
90.64136	1.7
91.02229	13.9
98.20596	3.2
101.02441	22.6
105.01917	6.6
115.00362	18.9
131.03522	1.5
133.01434	36.9
145.01416	21.0
147.02974	2.9
161.04538	3.2
164.94559	2.4
179.03787	3.6
221.06696	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	221.0302
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
56.73934	0.9
59.01378	50.0
60.99304	13.4
65.02426	1.8
66.75981	0.9
70.64639	1.0
71.01376	6.9
71.50473	1.1
72.99306	100.0
73.02918	2.2
75.00868	4.0
84.99372	1.0
85.02921	2.0
87.00874	10.4
89.02447	16.0
99.00896	1.1
101.02431	3.1
102.70040	0.8
105.01955	7.0
115.00376	16.1
116.63486	0.9
117.01920	1.0
120.99642	1.5
127.00340	1.2
129.01941	1.6
131.03452	1.7
133.01437	35.6
145.01408	10.5
161.04559	3.0
161.24911	1.0
164.94572	1.2
177.04004	1.1
229.99640	0.9
232.21648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.3
69.49321	3.3
71.01379	1.2
73.02950	1.6
74.59676	0.4
77.22916	0.5
87.00869	0.6
87.02746	2.0
90.28071	0.5
98.19915	0.7
101.02439	1.1
131.03494	0.6
131.05273	0.8
133.06924	100.0
134.07242	2.8
159.04442	0.7
161.04546	2.3
177.05557	1.3
177.09192	0.7
206.05594	0.6
221.04604	1.1
221.08481	23.9
221.11847	1.2
222.08769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0607
Annotation	Calaminthone
Peak:m/z	Relative Intensity
57.03418	0.5
57.35562	0.5
58.99594	0.5
59.01377	17.1
61.98825	1.4
69.16218	5.1
69.16571	0.8
71.01376	1.9
72.99286	3.1
73.02953	0.8
74.02452	0.7
80.96509	0.9
83.79932	0.5
87.00896	1.4
91.02251	0.7
93.03447	1.3
99.00862	1.5
108.68841	0.5
112.98812	1.6
117.03607	0.7
119.05019	100.0
120.05355	3.2
120.99631	1.7
121.02937	1.3
129.01904	0.8
134.03758	0.8
135.01222	1.7
135.04749	17.4
136.50360	0.5
149.02441	0.7
159.02991	0.5
163.03995	34.1
164.04308	1.2
165.01854	0.7
181.05052	43.4
182.05377	1.4
223.02780	2.2
223.06334	4.3
223.08141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Calaminthone
Peak:m/z	Relative Intensity
50.14351	0.4
59.01376	18.8
61.98817	1.2
69.93795	2.0
71.01369	1.1
72.99293	2.8
73.02932	0.6
80.96475	0.4
84.92926	0.4
92.98355	0.5
93.03433	1.4
93.84401	0.4
101.02438	0.5
102.61173	0.4
107.05061	0.6
109.02978	0.6
111.47540	0.4
119.05020	100.0
120.05367	4.0
120.08193	0.9
121.02985	1.3
122.03746	0.5
134.03763	0.7
135.04507	10.3
141.99657	0.4
149.02429	1.3
151.04051	0.6
161.06078	1.5
163.03999	34.3
164.04414	2.1
165.01897	1.1
179.03476	0.9
181.05052	45.2
182.05409	2.3
193.01450	2.3
193.08687	0.5
208.03726	2.4
208.07402	2.1
223.02670	1.0
223.06157	2.0
223.09747	1.0
223.13287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
59.01384	12.0
60.92157	1.5
61.98817	1.5
71.01383	18.6
71.51824	2.1
73.02943	28.5
78.74172	1.5
83.05035	1.6
85.02951	1.5
87.00861	2.4
91.05531	9.9
93.03435	2.2
96.95992	9.9
97.06584	2.5
107.89430	1.3
117.07072	5.1
121.02912	1.8
121.06593	4.4
133.06592	8.5
135.04517	2.0
135.06511	18.0
137.09715	12.8
148.03954	1.8
149.09740	2.2
151.07671	2.6
151.11250	3.4
161.06079	12.6
161.07372	1.8
161.09711	37.0
162.10095	2.5
163.04002	20.6
163.11311	3.5
164.08325	2.1
165.01881	2.4
165.09169	5.6
171.08194	1.4
176.01114	4.3
179.07114	1.5
179.10753	5.7
180.06535	1.8
187.11266	10.5
190.09981	26.6
191.10544	3.7
193.01414	3.7
205.04977	1.6
205.12315	100.0
206.12636	3.9
208.03751	6.6
223.02737	1.8
223.06146	26.6
223.08142	5.2
223.13365	29.0
241.06549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01379	6.4
61.98837	2.4
68.11835	0.3
69.03450	5.6
69.71795	2.0
71.01376	0.5
71.05005	2.0
78.81977	0.4
80.02678	0.3
83.05019	1.3
85.06587	1.4
93.03468	0.8
95.05007	1.0
97.06561	0.6
108.05782	0.8
109.06573	1.0
111.08171	0.6
125.09697	1.2
135.11798	1.0
135.98590	0.4
141.09190	0.6
149.09724	1.3
151.04045	0.4
161.09761	0.4
161.13333	1.5
166.06395	2.0
167.10770	8.1
176.83800	0.5
177.12808	1.2
179.10759	3.7
179.14407	8.1
180.14713	0.5
193.01408	0.4
195.13890	24.2
196.14247	1.3
205.12306	21.3
206.12704	1.7
208.03726	0.5
223.02797	2.4
223.13371	100.0
224.02861	0.4
224.13727	5.4
240.77747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21066	0.6
52.39558	0.7
57.03427	1.4
59.01384	4.3
69.03457	5.7
69.66698	4.3
71.05003	2.4
83.05049	0.8
85.06604	1.6
88.82608	0.7
95.05026	0.8
97.06572	0.8
108.68208	0.8
109.06623	0.9
113.19293	0.7
122.01744	0.6
123.08095	0.9
135.11751	0.8
149.09740	1.1
161.13368	1.2
167.10788	7.2
177.12798	1.2
179.10818	3.5
179.14389	7.7
195.13895	23.3
196.14270	1.6
200.54219	0.7
205.12326	19.4
206.12675	1.2
223.13370	100.0
224.13744	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	219.0773
Annotation	2-hydroxy-DL-tryptophan
Peak:m/z	Relative Intensity
52.88084	1.1
55.01848	1.7
57.00781	1.2
59.01379	5.7
61.98804	2.8
69.97723	1.2
70.25228	3.3
71.01372	1.4
71.04996	4.3
72.00900	12.3
74.02470	32.8
75.00869	3.1
79.65331	1.2
83.01334	1.5
85.06556	3.4
86.02474	6.2
92.05033	1.2
93.94053	1.3
99.08152	7.9
116.05044	1.5
118.06611	4.5
125.02401	1.6
125.09744	1.2
127.07655	5.9
129.05577	12.4
129.09198	3.2
130.06625	2.8
131.03740	3.0
132.04544	99.1
133.04855	3.2
144.04541	67.5
145.04839	2.1
146.04932	1.4
146.06046	1.4
157.06531	1.8
157.07693	30.6
157.08882	2.6
158.06104	9.4
158.07910	1.4
159.04466	1.4
159.06604	7.5
163.00363	1.5
175.03940	1.7
175.07402	1.7
175.08760	24.4
201.06462	6.5
204.04253	8.2
219.07689	100.0
219.12219	4.7
219.17455	12.2
220.08037	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	219.0873
Annotation	CHEBI:78829
Peak:m/z	Relative Intensity
59.01378	4.6
59.75225	0.8
69.57052	0.7
70.79088	0.7
71.05013	9.3
71.21383	1.6
85.06583	17.7
97.06569	1.0
99.08152	52.5
111.04515	1.0
127.07642	35.1
128.07956	1.4
129.05577	61.8
129.09210	19.0
130.05878	2.3
131.87714	0.7
153.05547	4.5
157.07492	1.0
157.08691	15.2
159.06613	50.1
160.06943	1.1
175.09793	1.3
201.05807	1.5
201.07666	26.2
213.62985	0.8
219.08714	100.0
219.12311	3.0
220.09067	3.5
225.70248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09057	0.3
57.03437	0.8
59.01374	10.9
62.27270	0.4
70.49864	0.3
71.01374	69.7
71.05027	0.5
72.01732	1.0
72.99284	0.5
74.51354	0.4
83.05019	1.0
85.06578	0.5
87.51024	0.3
97.06534	0.5
101.02434	1.1
101.06075	100.0
102.06413	1.9
111.02579	0.4
115.00362	17.7
126.13459	0.4
127.11269	1.0
133.01419	0.7
137.09743	1.9
143.07098	0.6
145.05089	0.5
155.10774	5.1
157.08714	0.6
171.10316	0.7
173.06134	0.4
173.11841	0.9
174.03249	0.9
181.08711	1.2
189.01962	0.4
199.09727	5.9
202.02609	0.9
216.99960	0.5
217.05042	1.0
217.07130	1.3
217.08891	0.6
217.10753	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	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.65870	0.8
57.03441	3.7
59.01379	7.8
61.98836	4.2
68.63728	0.8
69.03454	2.1
70.07715	2.8
70.08126	1.4
71.01369	3.9
71.05000	1.9
74.02500	0.9
75.00873	7.8
77.05666	0.9
81.03452	27.1
82.03796	0.9
83.01382	37.5
85.02940	2.3
87.04493	5.3
88.04023	2.2
89.04362	1.5
97.02943	35.2
99.00874	2.5
99.04514	31.3
99.08147	2.2
111.67769	0.7
115.00373	2.9
115.04021	5.7
124.57149	0.9
125.02442	100.0
126.02766	3.1
127.00376	9.7
127.07656	1.8
129.05551	2.7
129.09300	0.9
132.04523	3.4
140.85017	0.8
143.03482	16.1
144.04614	0.9
157.05063	6.7
159.02977	36.9
159.06595	2.6
160.03392	1.1
161.21057	0.9
181.59537	0.9
187.02467	48.5
188.02786	1.0
201.03981	2.4
201.07701	0.9
219.02994	1.8
219.05040	14.2
219.08559	2.8
219.10519	1.6
219.12355	1.1
219.17528	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	217.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	0.5
61.86758	0.4
66.85659	0.4
67.32269	0.4
71.26048	0.4
71.26402	0.5
87.47153	0.4
90.97146	1.6
91.16850	0.4
112.28882	0.4
118.96645	0.8
125.72489	0.4
132.98195	2.8
156.99896	0.9
174.99236	28.0
175.99493	0.4
207.42560	0.4
217.00281	29.5
218.00591	0.8
220.46329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12364	0.3
59.01377	32.8
70.90617	0.5
71.01382	2.3
71.05021	1.8
72.00905	37.7
72.04543	2.8
72.99295	1.0
73.01223	0.4
73.02895	0.3
87.00873	0.4
90.97150	0.5
98.02473	13.6
100.04033	3.9
118.96596	0.6
130.08713	0.7
132.98190	1.2
144.03018	100.0
145.03346	2.1
155.03499	0.4
174.99216	9.0
177.76228	0.3
187.10844	1.5
216.01273	1.1
216.08730	5.0
217.00282	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	216.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40364	0.4
59.01376	21.3
67.44655	0.4
70.87740	0.8
71.01381	1.6
71.05007	1.7
72.00906	39.8
72.04537	3.3
72.99301	0.5
73.02939	0.4
73.04027	0.5
77.98199	0.3
79.07933	0.3
97.03967	0.3
98.02470	11.5
99.02798	0.4
100.04027	3.6
102.87231	0.3
126.05630	0.5
130.08711	1.4
132.98184	0.7
143.11894	0.5
144.03018	100.0
145.03433	2.0
174.99243	5.4
187.10834	1.9
195.00565	0.4
216.01387	0.5
216.08765	4.8
217.00294	5.4
217.12051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1399
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
52.88752	0.4
53.44286	0.4
58.02965	1.9
59.01370	2.3
69.97466	1.3
71.01380	5.6
72.00909	3.9
72.04559	0.7
73.02961	0.7
74.02469	6.7
82.02971	7.0
83.01395	0.6
83.05035	2.6
83.64643	0.5
84.04070	0.9
84.04546	14.9
85.02940	0.7
86.02476	6.4
89.02461	0.5
89.26379	0.5
92.05049	1.6
97.02952	0.6
98.02511	0.7
99.04565	0.5
111.04494	1.4
115.00350	0.9
115.07647	0.6
116.03545	0.9
116.05053	1.8
126.32994	0.4
128.03540	12.9
128.10799	3.6
130.08723	0.7
135.04474	1.1
139.03998	3.6
139.07579	0.5
140.10799	1.1
141.09268	0.6
141.10324	4.8
142.06622	0.8
142.12350	2.1
143.12733	3.1
144.00864	0.6
153.09296	1.1
154.12387	1.1
155.10765	1.5
156.04288	0.7
167.11867	3.9
168.10277	0.7
169.10605	1.8
169.13443	6.1
171.09258	1.5
171.12239	1.3
171.15015	9.3
172.09796	0.4
173.08308	0.5
195.11334	1.4
195.41776	0.5
197.12932	54.7
198.13234	2.2
199.09637	0.9
215.00970	9.5
215.05475	1.0
215.13980	100.0
216.14317	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	215.1651
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.77918	0.3
52.58816	0.2
53.19194	0.2
59.01386	1.2
61.98828	0.5
70.37203	0.6
71.01378	0.4
89.02409	0.6
89.75083	0.2
122.89453	2.0
136.38109	0.2
139.11282	0.7
140.16554	0.3
142.49788	0.2
144.00894	1.0
167.14359	0.3
169.15968	4.6
171.01906	0.4
179.05469	0.2
186.89729	1.2
197.15459	1.6
200.04697	0.3
213.14975	0.7
215.00970	11.3
215.07179	1.8
215.16493	100.0
216.01233	0.6
216.16870	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	214.1084
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
55.01880	0.9
56.99326	0.4
57.03443	2.7
59.01378	2.1
69.38652	3.5
71.01376	5.1
72.04544	14.5
83.01385	2.0
83.05019	0.9
86.02477	0.7
87.07819	0.5
99.04503	0.6
102.05624	1.2
111.04554	1.2
111.37897	0.4
113.02414	0.5
115.00378	0.7
121.02962	0.6
133.02951	1.3
135.04529	2.5
139.03990	1.2
140.10831	5.1
142.12367	100.0
143.12735	2.6
144.00883	0.7
156.04301	0.5
168.10286	37.3
168.48460	0.4
169.10641	0.7
170.11858	44.3
171.09265	0.5
171.12152	1.3
179.03481	0.8
186.11253	0.8
214.10835	44.9
215.01003	4.3
215.05579	0.5
215.09259	0.7
215.11201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
59.01960	0.3
61.69110	0.3
63.59021	0.3
64.60034	0.3
69.62711	0.9
69.63130	0.6
71.01376	1.7
72.99303	77.1
73.99625	0.6
94.94129	0.3
96.96001	0.3
101.00943	3.1
109.01492	0.3
112.19988	0.3
116.23634	0.3
117.00443	12.4
117.01280	0.7
118.00557	0.4
127.02530	0.8
129.00354	0.4
133.01381	0.4
143.01984	0.8
148.44035	0.3
154.90688	0.4
171.01451	0.8
172.99397	100.0
173.99553	5.8
215.00465	11.7
215.03163	1.0
216.00626	0.9
236.22311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03436	3.8
59.01375	20.8
65.72363	0.3
67.53349	0.3
69.03444	0.7
69.39584	1.1
69.40011	1.4
71.01369	0.4
71.05003	0.3
79.17053	0.4
83.05025	1.4
85.06601	0.7
87.74593	0.3
88.09763	0.4
94.91952	0.3
97.02947	0.6
99.08131	0.4
108.02165	6.5
109.06600	0.4
111.08149	6.4
123.04536	2.5
123.08152	33.2
124.08489	0.9
125.02335	0.7
125.09706	4.6
137.02449	0.5
137.09700	6.3
137.62929	0.4
139.11278	54.5
140.11629	2.3
149.09706	0.4
151.11282	11.6
153.05617	1.7
153.09196	0.6
167.10783	1.9
169.12329	6.9
183.13855	1.3
185.11896	0.4
195.13911	0.8
213.01314	0.9
213.11295	100.0
213.14848	5.7
214.11644	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.49177	0.4
59.01375	5.0
65.86520	0.4
66.11239	0.4
69.34329	3.4
69.79124	0.4
88.02254	0.4
98.19812	0.9
100.51741	0.4
108.02158	1.4
125.02405	0.4
153.05556	0.6
177.17873	0.5
183.13889	25.4
184.14182	0.9
195.13885	20.9
196.14209	1.4
211.13512	0.5
213.14941	100.0
214.15300	5.3
220.58406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17373	0.6
59.01382	5.2
69.83211	0.9
69.83623	1.4
98.19962	0.5
108.02158	1.4
153.05518	0.6
183.13899	22.4
184.14238	1.5
195.13895	18.7
196.14232	0.6
213.14949	100.0
214.15305	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16167	0.2
59.01376	0.5
61.98823	0.7
69.03447	0.8
70.57978	0.7
83.05006	0.6
95.01385	1.0
108.02258	0.2
123.00909	0.5
155.10800	0.5
165.12828	0.5
167.10782	0.8
167.14391	1.5
181.01286	0.3
183.13890	13.2
184.14244	0.5
193.12317	3.4
211.13374	100.0
212.13724	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	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
52.89372	0.3
57.03448	0.3
59.01378	15.5
63.85015	0.3
69.03465	0.5
69.51468	2.1
71.01382	2.2
83.01408	0.3
83.05025	0.4
95.05061	0.5
97.06593	0.8
99.00919	0.3
107.01384	0.3
108.02175	3.3
115.00293	0.3
123.04539	1.2
125.09734	0.6
132.02180	0.7
133.02942	0.5
135.04556	1.4
137.09654	0.3
151.11279	14.0
152.11635	0.6
153.05533	1.6
153.09239	0.4
168.98930	2.9
169.12332	100.0
170.12669	3.4
171.10294	3.3
179.03484	1.0
183.13896	0.5
195.10268	0.9
195.13919	0.4
197.99185	0.6
213.05586	0.4
213.09230	1.8
213.11284	17.0
213.14806	4.5
214.11588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80462	0.4
57.03453	0.4
59.01376	31.5
59.86615	0.3
61.98823	0.5
65.17350	0.3
69.03468	0.4
71.01373	4.6
71.51529	0.5
81.03441	0.6
83.05026	0.6
97.02950	0.7
97.06603	1.0
99.00944	0.5
107.01388	1.2
108.02166	8.7
111.00826	0.4
115.00354	0.8
118.92456	0.4
123.04510	3.2
125.02470	0.4
125.09644	0.5
132.02180	0.6
133.02936	0.9
134.03723	0.5
135.04556	1.8
137.02458	1.0
137.11208	0.4
141.00150	0.8
151.07645	0.4
151.11264	13.0
151.71036	0.3
152.11584	0.6
153.05521	3.1
168.98935	6.2
169.12326	100.0
170.12659	4.5
179.03481	1.4
183.13881	2.2
184.95612	0.4
194.99368	0.6
195.10251	1.3
195.13914	1.9
197.99211	0.5
202.26875	0.4
213.01746	0.5
213.05763	0.6
213.09276	2.5
213.11295	23.3
213.14880	11.0
213.18410	0.7
214.11682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03445	3.1
58.19342	0.3
59.01376	100.0
69.83982	1.8
77.69598	0.4
80.00093	0.4
80.02681	0.4
81.03467	1.0
97.06599	2.2
97.07149	0.4
109.06580	3.1
121.02955	3.9
133.72430	0.4
149.09695	0.5
165.12822	4.0
209.04480	0.6
209.11810	19.9
210.12177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.7
59.01369	6.5
61.98827	19.1
65.00327	1.0
66.01090	0.6
69.03442	2.8
71.01377	15.0
71.05013	1.7
71.51014	0.6
73.02914	1.4
80.02667	1.4
81.03443	2.3
83.01394	1.5
83.05012	4.5
84.02135	1.5
85.02968	1.4
92.99817	1.8
93.03442	3.8
93.33749	0.7
94.02972	1.4
95.01385	0.8
95.05013	2.7
97.02937	0.7
97.06579	3.8
107.05000	1.2
108.02169	1.6
109.06540	0.8
111.08140	2.5
114.05883	0.6
120.02197	0.9
121.02951	59.6
121.06544	0.7
122.03336	2.0
123.08166	1.3
124.04047	4.1
125.06001	0.6
125.09719	6.2
134.03748	1.1
135.08180	1.4
136.01717	0.9
136.98790	1.2
137.02448	1.4
137.09746	0.9
138.03214	0.8
144.00706	0.7
145.10243	1.6
147.11794	1.5
147.99103	0.7
149.09680	1.1
151.11275	22.0
152.11653	0.9
153.12854	2.0
158.16650	0.6
161.09665	0.6
163.11299	6.7
164.98264	1.2
165.01866	1.1
165.05557	0.8
165.12849	22.0
166.13206	1.1
167.10716	1.8
173.09657	1.5
179.03456	0.8
179.10748	6.6
181.05011	0.6
181.12335	29.7
182.12683	1.7
191.10785	13.5
192.11130	0.9
194.02179	0.7
194.05827	0.9
209.00890	2.6
209.04568	10.0
209.11807	100.0
209.94887	7.5
210.12161	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	209.9489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11583	0.1
59.01378	0.4
60.24319	0.1
61.98827	100.0
62.98529	0.1
66.03487	0.1
71.06392	0.1
71.06686	0.1
87.71552	0.1
94.02985	0.3
115.41511	0.1
119.04118	0.1
124.04008	0.6
137.94528	0.1
146.93434	0.2
163.95619	0.3
164.96378	0.5
166.01360	0.1
166.91061	0.4
166.93842	0.1
173.95239	0.2
181.89389	0.1
206.16748	0.1
209.94882	33.7
210.07736	0.2
210.12222	0.1
210.94931	1.8
211.13278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.06600	0.3
61.98819	0.3
69.03445	0.5
69.28309	1.5
69.28731	1.0
73.12560	0.3
75.05256	0.3
76.81897	0.3
79.48911	0.4
83.05014	0.4
86.70223	0.3
89.39882	0.3
89.88348	0.3
98.19903	0.6
110.73716	0.3
155.10805	0.5
165.12790	0.3
166.96016	0.3
167.10800	0.5
167.14409	1.0
183.13881	12.8
193.12309	3.2
210.98911	0.4
211.13374	100.0
212.13710	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39270	0.2
59.01366	0.3
59.81480	0.2
70.01443	0.9
72.95338	0.2
75.80228	0.2
80.02665	1.8
81.03446	1.7
83.05019	8.0
84.86557	0.2
93.03445	0.4
95.05008	0.9
97.06571	0.5
109.06580	0.4
111.08122	0.2
118.97363	0.2
121.02945	4.8
125.06059	0.8
135.08151	1.3
136.01717	0.2
147.11780	0.4
163.11281	6.2
165.12834	4.3
181.12376	0.9
191.10797	1.4
194.02411	0.2
209.11804	100.0
210.12134	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.31225	0.2
57.60112	0.3
58.37027	0.2
59.01371	1.0
61.98833	1.9
70.69150	0.6
80.68106	0.2
84.15093	0.3
92.99813	0.3
93.03430	0.4
94.03003	0.4
120.02185	0.5
121.02953	12.0
122.03303	0.4
124.04061	0.5
146.11757	0.3
165.12804	0.5
181.12358	0.5
191.10744	0.5
209.04549	1.8
209.11815	100.0
209.94843	0.6
210.12131	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03431	1.5
58.08799	0.2
59.01376	1.5
61.98820	2.6
63.64012	0.2
69.03455	0.7
70.52244	0.7
71.01378	0.7
71.05011	0.7
80.02663	1.0
81.03452	3.2
83.01382	23.6
83.05019	4.2
84.01699	0.5
84.02151	1.2
85.02960	0.3
91.01902	0.3
92.99839	0.4
93.03443	0.7
94.02990	0.5
95.01366	0.3
95.05015	1.6
97.02931	0.4
97.06589	4.1
98.88488	0.2
106.04239	0.5
107.05035	0.4
108.02171	0.4
109.06573	0.6
111.08147	0.6
120.02179	0.5
121.02947	15.0
122.03297	0.5
123.08144	2.3
124.04037	1.6
125.06103	0.5
125.09713	21.7
126.10057	0.7
134.03761	0.3
135.08141	2.1
136.01595	0.4
136.98793	0.5
137.02403	0.3
140.63635	0.2
145.10268	0.4
147.11769	0.8
149.09682	0.3
151.11346	0.3
161.09660	0.3
163.11284	10.1
164.11575	0.5
165.01923	0.4
165.12828	3.3
167.10735	0.5
173.09653	0.3
178.67798	0.3
181.12355	1.7
191.10771	7.9
192.11185	0.3
209.04568	2.5
209.11804	100.0
209.94858	0.8
210.12148	5.2
221.94510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03436	6.2
58.00594	1.6
59.01371	6.5
61.98825	44.7
62.28476	0.8
65.00335	1.0
69.03452	2.8
69.16458	0.7
71.01376	21.5
71.04996	1.0
73.02927	1.7
80.02656	1.6
81.03439	2.2
83.01389	2.3
83.05016	4.7
84.02148	2.2
85.02940	1.3
89.02451	0.9
91.01888	0.9
92.99808	2.7
93.03452	5.6
94.02977	3.1
95.01392	1.5
95.05022	2.7
96.43288	0.9
97.02959	1.1
97.06577	4.7
99.04494	1.0
106.43479	0.9
108.02162	1.3
109.02932	1.1
109.06582	0.9
111.08128	2.4
114.29366	0.7
118.86793	0.7
121.02946	58.9
122.03245	1.1
122.60029	0.8
123.08165	1.5
124.04025	6.1
125.02439	1.4
125.09720	9.3
134.03709	1.3
135.08159	1.3
136.01587	1.2
136.98849	1.9
137.02393	1.1
137.09688	1.8
145.10243	1.6
147.11801	1.9
149.09740	0.8
151.11275	26.6
152.11662	1.0
153.12816	4.1
163.11290	11.0
164.98213	2.0
165.01903	1.6
165.09178	1.4
165.12833	18.4
167.10689	0.9
173.09691	1.8
179.10704	6.0
181.12331	46.1
182.12668	2.1
190.99864	1.0
191.10759	17.1
192.11116	1.3
194.02232	1.3
209.00951	3.0
209.04591	10.4
209.11813	100.0
209.94882	19.2
210.12189	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.83116	0.7
57.16412	0.6
57.88313	0.6
58.02974	34.0
59.01376	4.1
61.65907	0.6
62.39233	0.6
66.14696	0.6
69.60477	3.9
70.02979	11.4
72.00903	5.7
91.05533	13.8
92.05063	1.0
103.05539	1.5
113.16540	0.6
116.05071	1.2
129.01979	1.3
135.04497	1.4
147.04509	39.0
148.03973	1.4
148.04984	0.8
160.04045	0.8
162.05624	0.7
162.09196	1.6
164.07158	100.0
165.05525	1.3
165.07491	2.7
165.80942	0.8
176.03482	1.0
177.01907	0.8
177.05147	1.1
192.04286	1.1
206.02943	1.3
206.08197	44.7
207.08456	1.4
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
59.01372	1.2
61.98825	100.0
62.98524	0.1
62.99237	0.1
63.99228	0.1
70.57573	0.2
71.01386	0.1
75.00847	0.2
102.16169	0.1
112.46117	0.1
126.15902	0.1
129.01938	0.3
135.04541	0.1
147.02968	0.3
162.98448	1.5
164.96426	0.3
177.01932	0.5
192.04245	0.9
200.68161	0.1
206.97427	9.2
207.06549	0.3
207.97543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18984	0.8
57.03445	0.9
59.01378	100.0
60.01696	1.0
69.69373	4.0
71.01379	1.3
72.99311	9.1
75.00854	1.3
79.95732	1.4
93.54375	0.7
98.20002	1.7
98.96749	0.9
99.00883	1.1
103.05554	2.5
104.90572	0.7
105.03465	0.8
119.05013	10.8
121.02940	0.8
123.04493	0.8
129.01926	4.4
143.05002	1.1
143.89778	0.9
147.04514	91.8
148.04851	3.8
163.04007	1.3
165.05563	80.4
166.05902	3.2
167.97539	0.8
177.01947	4.6
192.04295	4.1
206.99387	1.5
207.01175	8.2
207.06636	3.0
207.10272	1.5
207.12866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00560	0.9
53.03480	0.7
59.01377	92.0
59.75737	0.8
60.29787	0.9
69.67023	4.9
71.95447	0.9
72.99308	9.2
78.15079	0.8
91.05556	0.9
92.35678	0.8
103.05529	5.2
116.13440	0.8
119.05021	11.3
147.04512	100.0
148.04834	3.2
156.71623	0.9
165.05562	85.9
166.05846	3.7
177.01926	1.8
195.65305	0.9
207.01117	1.0
207.06679	1.4
215.78076	0.7
226.42073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.57094	0.8
57.03436	2.6
57.70987	0.8
59.01371	8.8
69.03452	17.5
69.18890	5.7
69.19293	1.8
71.01403	0.7
71.05000	1.9
72.24611	0.8
77.83450	0.7
83.05016	2.5
91.05434	1.0
93.03452	2.1
96.95981	1.3
97.06566	1.1
98.19904	2.2
108.05827	1.2
109.06581	1.5
111.08136	3.4
121.02965	11.3
121.10241	1.1
127.07625	0.8
139.07622	1.3
147.11809	2.0
153.09187	4.6
163.11287	9.7
165.09195	1.5
165.12849	16.4
168.81696	0.8
181.12332	17.5
182.12651	0.9
191.10770	20.1
209.04604	1.9
209.11809	100.0
210.12190	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	205.123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86986	0.4
56.90966	0.4
57.03447	10.9
59.01391	2.5
59.51444	0.4
62.72025	0.4
68.99803	0.8
69.03445	1.0
71.01370	2.7
72.99303	2.4
73.02947	0.5
73.31033	0.4
75.00858	1.1
78.96667	0.4
79.05563	0.6
83.05021	0.8
85.02953	0.9
87.00885	1.0
91.00067	0.5
92.62910	0.4
95.05019	2.6
97.02946	1.0
97.06570	2.2
99.00892	1.7
101.02431	0.6
105.07084	0.5
106.04230	0.9
107.05032	4.1
115.00342	2.7
115.04035	0.7
115.07648	5.4
119.04996	0.5
121.06577	3.7
122.03709	0.5
123.08173	1.9
124.98745	0.5
125.02457	1.1
127.00323	0.4
129.05579	2.3
131.04982	0.8
133.06601	0.5
135.04530	0.9
135.08170	2.5
138.06900	0.9
143.07117	1.8
145.01434	0.7
145.05032	0.5
145.10262	0.5
147.04495	1.8
147.08151	25.9
148.08525	0.9
149.06070	2.0
149.09726	4.1
151.07668	0.9
157.06534	0.7
157.60963	0.4
159.08159	0.6
160.08931	1.6
161.02423	1.6
161.06055	1.0
161.09706	4.3
163.11279	10.0
164.07135	0.7
164.11652	0.5
165.05615	0.6
171.08153	3.7
172.08910	2.6
173.05936	0.5
175.03993	0.7
175.07619	1.8
175.11285	3.8
176.04800	3.6
176.08408	0.9
177.09224	0.4
177.12849	8.9
185.09810	0.5
187.07697	0.9
187.11270	25.6
188.08372	3.3
188.11661	1.7
189.09201	12.5
190.06375	0.5
190.09967	5.9
191.10356	0.7
203.10773	8.5
204.11147	0.6
205.07097	2.4
205.08745	3.6
205.12317	100.0
205.15915	2.5
206.12625	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	205.1595
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01375	1.2
61.98820	0.4
65.99860	0.2
67.60926	0.2
68.99815	0.2
71.01380	1.4
72.99299	0.8
73.02957	0.2
75.00851	0.5
81.29267	0.2
83.01344	0.2
83.88837	0.2
87.00871	0.6
89.03954	0.2
96.99292	0.2
99.00855	0.6
102.55787	0.2
103.00397	0.1
113.99713	0.2
115.00356	1.4
115.07642	0.9
117.03453	0.4
124.98786	0.2
129.01935	0.3
129.05568	0.2
133.02922	0.2
135.04494	0.2
142.99840	0.4
143.07152	0.2
145.01445	0.3
154.99847	0.2
161.02411	0.3
161.06087	0.4
162.89438	0.3
164.07234	0.2
172.32764	0.2
175.02576	0.2
189.12854	1.8
190.02690	0.2
205.01379	0.5
205.15953	100.0
206.16290	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.4
57.03454	8.8
58.00582	3.1
59.01377	79.6
60.99311	4.0
65.54608	4.4
67.01871	3.5
68.99809	12.3
71.01376	81.8
71.06702	7.4
72.99303	59.8
73.02948	9.6
75.00874	40.6
83.01377	24.2
84.60773	3.5
85.02959	9.5
87.00867	35.2
89.02437	12.0
96.99313	5.7
99.00871	43.4
99.08161	3.5
101.02438	10.3
103.00362	6.4
111.00879	24.5
112.98810	40.6
115.00364	100.0
115.04013	6.4
115.07615	23.5
117.01942	14.2
124.98815	12.4
127.00357	12.2
129.01942	28.8
129.05571	9.7
142.99826	24.5
143.07150	8.4
145.01418	22.3
145.05075	6.6
154.99850	12.0
173.00865	5.0
175.02467	7.5
205.03600	4.8
205.07082	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	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35086	0.8
54.01805	0.9
57.03445	13.9
59.01381	6.7
62.36277	0.8
71.01374	3.1
71.05018	15.8
71.49671	1.5
72.99297	6.3
81.07104	1.2
83.05018	2.3
85.06582	25.5
87.04546	1.1
98.12292	1.0
99.08147	2.6
101.06068	1.8
113.06084	29.6
115.00376	3.1
115.02795	1.2
115.04006	52.1
115.07642	58.7
116.04345	1.2
116.07983	1.1
122.07252	0.9
123.06585	0.8
125.06089	1.1
129.05576	8.2
139.03999	5.5
143.07133	27.6
145.05055	63.5
146.05377	1.7
161.08162	3.2
169.05057	1.3
173.18808	0.9
184.09332	0.9
187.06111	27.0
205.07153	100.0
205.15901	1.5
206.07544	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	205.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82455	0.7
57.03200	1.3
57.03444	14.5
59.01365	5.0
69.55557	5.3
70.82491	0.8
71.05013	18.0
72.99303	4.7
83.05009	2.2
85.06585	26.6
87.04485	1.7
98.19943	1.8
99.08161	2.5
101.02460	1.1
112.36752	0.9
113.06084	29.1
115.00349	1.0
115.04002	55.2
115.07634	48.3
116.04327	1.2
129.05573	6.3
139.04007	6.5
143.07127	25.4
145.05052	63.4
159.06679	1.1
161.08199	3.3
166.29518	0.9
182.74356	0.9
187.06094	29.9
205.07138	100.0
206.07445	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	205.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50900	0.5
54.71491	0.5
58.15298	0.6
59.01353	0.6
70.08482	1.9
72.99303	19.9
75.00885	0.9
81.07083	3.7
85.06585	0.8
87.04521	2.7
88.95314	0.6
93.90023	0.6
99.08152	7.5
101.06083	2.0
113.06066	1.8
115.07642	100.0
116.07966	2.1
125.06062	1.0
129.05569	38.2
130.05894	1.3
131.07108	0.6
133.96423	0.6
143.07130	26.3
144.07510	0.6
159.06618	3.8
161.08200	0.8
179.32510	0.6
205.07146	39.2
206.07471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93078	0.5
59.01385	0.7
68.78843	0.6
70.97999	0.6
70.98315	1.0
71.05025	1.2
72.99309	19.2
73.87366	0.6
75.00893	0.9
76.51213	0.5
81.07095	2.9
83.22534	0.5
85.06596	0.8
87.04534	2.2
89.09485	0.5
98.00040	0.6
99.08150	7.5
101.06082	2.5
113.06071	2.7
115.07648	100.0
116.07983	2.8
125.06049	1.0
129.05576	36.7
130.05896	0.8
143.07129	32.6
144.07478	1.1
159.06616	4.2
161.08214	1.1
171.23186	0.6
205.07155	47.2
206.07545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79122	0.1
54.97943	0.1
56.98557	0.1
59.01376	4.1
60.01709	1.9
61.01525	0.1
61.01809	0.6
61.98825	100.0
62.98538	0.2
70.98474	0.2
71.01410	0.1
71.99336	0.1
75.47308	0.1
80.56133	0.1
106.20452	0.1
142.99814	0.1
152.59521	0.1
160.03694	0.2
193.55833	0.1
204.00027	1.2
204.02657	0.9
224.08740	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	205.0351
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01865	6.2
57.03437	13.5
58.02966	7.1
59.01376	66.0
60.03310	2.4
60.99300	2.9
67.01899	3.2
68.99813	8.6
70.50267	2.4
70.50603	7.1
71.01381	76.2
71.05013	45.4
72.99306	40.1
73.02952	15.6
73.06597	3.7
75.00869	29.5
81.03449	3.7
83.01377	11.3
83.05008	4.9
85.02949	7.4
85.06594	14.1
85.11605	2.7
87.00874	40.0
89.02409	3.6
96.99310	4.3
97.02982	2.7
99.00871	36.3
99.04504	35.0
101.02428	50.2
101.06064	16.9
103.00370	5.8
103.85773	2.5
111.00870	43.3
112.98817	9.7
113.06068	18.2
115.00360	89.4
115.04001	50.8
115.07643	41.4
117.01922	11.7
118.03327	5.8
124.98795	16.6
125.02435	96.3
127.00365	9.3
129.01939	15.5
131.03471	4.0
134.18915	2.3
142.99870	18.2
143.03473	15.9
143.07133	26.1
145.01425	65.0
145.05069	86.7
150.98320	7.8
154.99876	17.9
157.01515	3.0
161.08220	4.8
167.22977	2.6
169.01343	3.4
173.00890	7.5
175.02444	8.2
187.02473	27.3
187.06122	26.7
205.03537	49.3
205.07159	100.0
205.09013	9.0
206.07571	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	203.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.3
59.01375	10.6
69.70992	1.9
69.71400	1.1
71.01367	2.9
71.05014	10.0
73.01156	2.5
73.02943	3.0
75.00883	1.1
82.06632	1.1
85.02975	0.6
85.06580	1.1
87.00891	0.9
97.06579	1.7
99.00878	1.0
99.08150	11.2
100.04002	0.7
103.92020	0.6
104.97739	0.7
112.98821	0.9
113.02457	1.0
116.05115	0.8
116.64595	0.6
125.02333	0.6
127.07571	0.7
127.11308	4.6
129.05536	0.8
131.05046	2.8
135.34921	0.6
137.09712	2.6
139.11276	3.8
140.98286	1.1
142.71008	0.6
143.07079	0.6
150.86838	0.6
155.10759	5.5
157.12320	24.4
158.03716	0.9
158.12662	1.3
159.04512	13.6
161.02611	0.6
161.08122	1.0
166.65601	0.6
174.03204	1.5
175.03944	0.9
178.98485	0.5
179.51476	0.5
183.10306	0.8
185.11812	16.1
186.12128	0.8
188.04730	1.0
201.11275	7.3
203.03523	9.0
203.07144	1.9
203.12859	100.0
204.03989	0.6
204.13147	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	203.1286
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
50.18370	0.3
57.03446	2.6
59.01376	4.5
71.01382	0.8
74.02464	0.5
85.02978	0.4
87.04501	0.5
87.60133	0.4
97.06583	1.1
98.19439	0.5
98.19936	1.7
99.08150	5.4
103.92031	0.7
106.45906	0.4
112.53445	0.4
113.02424	0.5
116.05042	1.2
127.11249	2.1
129.08075	0.5
131.05008	1.5
139.11317	0.5
143.07126	1.7
148.95479	0.5
155.10747	0.9
157.12343	2.1
159.04468	1.1
160.89261	0.5
166.48004	0.4
167.10765	0.7
174.03171	0.8
175.03879	0.4
185.11790	5.1
188.04735	0.5
201.11320	3.3
203.03502	1.8
203.12852	100.0
204.13214	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	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01373	9.1
62.21641	0.4
69.17238	2.8
69.17650	0.8
71.01376	1.7
72.00908	23.8
73.01249	0.5
73.02931	0.7
74.02470	29.7
75.00860	1.0
85.02984	0.4
98.20605	0.8
99.00849	0.8
99.08176	0.7
101.02483	0.4
101.97858	0.4
103.05472	0.4
103.92018	0.9
109.90863	0.4
112.98789	1.2
113.02420	0.8
116.05057	100.0
117.05406	3.0
129.05695	1.6
130.06627	3.0
131.03503	0.9
131.05028	3.7
132.08147	0.9
133.06903	1.0
140.98253	1.0
141.05603	0.6
142.06613	26.2
143.06915	0.7
146.03670	0.6
157.07687	1.1
158.03648	0.4
159.04517	4.8
159.09264	18.7
160.09612	0.8
161.04817	1.2
173.06056	0.9
174.03195	1.4
175.03983	0.5
175.07567	0.4
186.05608	4.1
187.07523	0.6
202.94176	0.4
203.03564	4.1
203.08264	75.9
203.10703	6.0
203.12839	3.5
204.08554	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	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01370	9.1
71.01359	3.4
75.00889	0.8
85.02962	1.2
99.00834	0.8
103.92025	1.7
112.98772	1.8
113.02416	1.2
113.09714	35.1
115.27547	0.8
116.05047	1.1
121.70161	0.8
125.09729	0.9
127.11266	7.9
131.03494	1.1
131.04988	4.2
134.03688	0.9
140.98262	1.5
141.09207	32.5
142.09528	1.7
143.07124	100.0
144.07452	3.2
155.10796	4.6
157.12323	26.6
159.04472	2.1
159.10255	7.0
174.03163	1.9
175.07617	1.2
185.08138	6.8
201.11258	1.0
203.03441	3.7
203.09216	67.3
203.10660	4.0
203.12823	66.2
204.09535	1.8
204.13226	2.0
223.85194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20638	0.4
59.01390	0.6
60.40490	0.4
60.99307	0.5
68.99818	3.9
71.05023	4.6
71.49789	0.7
72.99305	4.3
75.00869	37.6
76.01210	0.5
85.06578	0.5
87.04523	0.6
90.98875	0.5
95.05016	0.7
99.04531	1.4
101.06078	6.0
111.04510	5.4
113.06053	0.7
114.28674	0.4
115.04010	2.7
115.07620	1.6
129.04697	0.7
129.05579	6.3
141.05569	39.6
142.05911	1.3
145.05043	5.0
157.05060	4.7
185.04504	1.4
203.05591	100.0
204.05971	3.2
216.55251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
50.97029	0.2
55.26392	0.2
59.01372	4.4
61.98846	0.4
69.03455	0.7
70.80236	0.6
71.01380	0.4
72.59296	0.3
78.39758	0.2
89.61400	0.2
95.01387	0.5
97.02981	0.3
97.06585	0.3
99.92577	0.5
111.04532	0.4
113.02470	0.3
125.09690	0.4
127.07596	0.5
127.11256	0.6
139.11264	0.9
155.14400	5.5
158.89246	0.4
159.89381	0.4
164.83540	0.4
173.02280	0.3
173.06065	0.8
183.10281	0.3
183.13921	1.8
199.13371	0.5
201.05557	1.6
201.11230	2.3
201.14944	100.0
201.80234	0.3
202.15295	5.1
202.17026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	14.1
55.01859	8.8
57.03442	11.1
59.01377	15.3
68.99808	8.8
69.98447	10.1
71.01376	56.8
72.99305	21.5
73.02937	8.7
75.00869	51.9
76.10702	2.0
80.99823	13.4
83.01366	11.0
85.02952	14.6
87.04488	6.7
89.02448	11.3
96.99309	6.8
98.00095	39.1
99.00876	62.4
101.02435	27.2
103.92050	3.6
104.39079	1.9
112.98810	100.0
113.02439	52.6
115.04018	3.0
116.05046	2.4
117.01941	16.5
125.99560	3.1
127.00362	4.9
129.01924	4.1
131.03494	59.7
140.98297	92.5
141.05623	2.9
145.01430	16.8
158.99367	11.5
159.03036	3.4
160.04056	20.9
173.00899	42.5
177.77704	2.3
185.04521	3.1
200.12183	2.3
203.01933	14.0
203.03636	2.2
203.05583	9.2
203.09158	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	201.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	77.1
60.01709	0.4
66.65667	0.3
69.03437	0.5
71.01401	0.3
71.52164	0.4
71.52865	0.3
95.01398	0.4
100.23878	0.3
102.92285	0.3
111.08170	0.5
113.02440	0.4
113.09723	27.5
114.10040	0.8
136.29671	0.4
139.11311	0.9
141.09206	17.6
142.09514	0.8
149.70801	0.3
157.08636	0.8
157.12320	0.9
159.10255	100.0
160.10579	3.1
173.06032	0.9
183.10204	0.7
201.05525	1.2
201.11316	3.0
201.14975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55340	0.3
53.90075	0.3
56.37603	0.3
57.03450	1.6
58.00586	2.2
59.01383	1.9
69.03439	0.8
69.12227	0.3
69.12545	3.7
71.01375	1.0
71.05010	1.5
73.02939	0.9
85.02943	0.8
87.04512	2.7
95.01365	0.4
95.50123	0.4
97.06592	0.6
99.08141	0.4
105.14558	0.3
111.08199	0.4
113.02423	1.8
121.10214	0.9
123.08235	0.4
125.09698	5.9
127.07572	0.5
127.11283	10.0
131.03549	0.8
137.09709	1.8
139.07677	0.4
139.11302	3.7
153.09253	0.4
155.10754	4.5
157.08685	0.6
157.12431	0.7
159.04514	0.6
165.09177	4.5
171.10240	3.5
172.05231	0.5
173.06049	1.1
183.08714	0.4
183.10280	6.6
199.09724	3.3
201.05568	2.0
201.11302	100.0
202.06247	0.6
202.11635	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	201.113
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01875	1.3
56.98300	0.4
57.03442	3.9
59.01110	0.7
59.01379	8.7
67.01881	1.0
69.03452	1.5
69.93905	1.0
69.94299	0.9
71.01385	1.7
71.05019	2.1
73.02943	81.4
74.03273	0.7
79.61700	0.4
83.05027	2.9
85.02961	2.5
85.06584	0.8
87.04518	1.1
95.05003	1.0
97.06583	12.9
99.08154	9.0
101.06034	0.5
109.06607	2.2
110.95267	0.4
111.04490	1.4
111.08156	0.9
113.09705	1.2
115.07632	0.8
115.92082	2.2
121.06591	0.6
125.09713	0.8
127.07639	8.7
127.11268	3.7
129.41718	0.4
137.09721	1.5
139.07674	2.2
139.11272	6.7
143.07120	1.3
155.10770	3.1
157.08684	4.8
157.09840	0.7
157.12328	2.3
165.09174	0.7
173.06067	1.0
181.08745	2.1
183.06683	1.2
183.10243	8.8
201.05490	1.8
201.07588	3.2
201.11305	100.0
202.11700	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	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03437	1.3
58.00589	1.8
59.01362	0.9
69.03461	0.5
69.56474	0.9
69.56887	1.1
72.99303	1.1
73.02913	0.7
83.05010	0.5
85.02941	0.4
87.04512	0.4
95.05028	0.4
96.18256	0.4
97.06583	2.9
98.20638	0.7
99.08166	2.2
109.06595	0.5
125.09722	4.8
127.11280	9.5
137.09695	1.6
139.11320	2.1
143.10837	0.3
153.09193	0.5
155.10756	3.2
157.12361	0.9
159.04498	0.4
165.09178	2.9
171.10245	3.0
173.06061	1.1
181.08723	1.0
183.10223	4.3
199.09727	2.8
200.77156	0.3
201.05461	1.3
201.11299	100.0
202.06342	0.9
202.11641	3.7
203.75519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0927
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
55.01875	1.2
57.03441	3.0
59.01374	8.3
61.98825	4.4
68.99820	0.7
69.03470	0.5
71.01366	0.8
71.04996	0.5
71.16792	0.7
72.04543	9.4
72.99281	0.5
73.02944	1.0
74.02453	0.6
75.00900	0.8
83.01398	2.3
84.04527	1.0
84.44764	0.5
85.02933	0.7
87.00858	0.7
89.76955	0.4
96.04539	0.6
97.02933	1.0
97.06631	0.5
99.04513	0.6
102.05587	0.7
110.09685	0.6
111.04501	0.8
113.02450	0.8
113.06075	0.5
126.09247	4.4
128.10806	100.0
129.02034	0.4
129.10303	1.9
129.11168	3.2
137.02449	0.7
138.09175	0.5
143.11917	0.5
154.08722	34.8
155.09084	0.9
155.95097	0.5
156.10281	40.4
157.08684	1.4
157.10645	1.0
157.13367	0.5
158.89334	0.6
162.83907	5.4
164.83614	5.7
173.05968	0.5
183.06506	1.3
183.11337	1.7
199.80493	5.9
200.09250	34.9
201.02464	0.5
201.05544	1.0
201.07613	1.1
201.09549	1.4
201.12628	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95906	0.2
59.01376	100.0
60.01713	1.0
69.65398	1.5
99.03880	0.3
113.04623	0.4
138.35616	0.3
157.03563	5.4
158.03677	0.4
159.01515	1.7
181.82451	0.2
201.02538	16.3
202.02675	1.2
203.70905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29253	0.5
59.01374	3.5
70.78229	0.7
70.78555	1.1
82.74136	0.6
91.07289	0.6
109.06580	2.0
111.04510	73.6
112.04853	2.9
127.07647	3.7
129.05518	0.5
138.03145	0.5
139.07626	3.8
153.05563	20.0
155.07095	1.6
157.08681	55.1
158.09056	1.8
183.06602	100.0
184.06963	4.4
201.07669	47.7
202.08083	2.0
221.15773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
59.01382	3.6
64.57281	0.5
68.70491	0.4
70.35487	1.7
72.73826	0.5
96.60209	0.5
99.23727	0.5
107.24673	0.5
109.06570	1.6
111.04517	79.8
112.04849	1.8
127.07635	3.7
129.05515	0.7
139.07660	3.8
153.05571	18.6
154.05917	0.8
155.07172	2.3
157.08688	59.6
158.09000	2.0
160.86726	0.6
172.47034	0.6
183.06610	100.0
184.06972	3.8
201.07671	46.9
202.08034	1.8
211.46506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
55.49143	0.5
57.03436	0.6
59.01378	32.8
60.99299	1.8
69.42838	1.1
69.43253	2.7
71.05025	2.2
76.73215	0.5
85.06601	2.3
94.94485	0.5
95.05015	1.5
95.12875	0.5
97.06590	3.1
98.19881	0.9
99.08153	11.3
101.06094	0.9
103.22883	0.6
111.04514	8.0
111.08155	1.4
124.05339	1.4
127.07647	100.0
128.07986	3.4
139.07658	1.6
155.10727	0.6
157.08699	10.8
169.27151	0.5
173.06076	0.6
193.57314	0.6
201.07674	45.2
201.11314	10.2
202.08069	2.0
205.25975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18556	0.7
50.27755	0.7
57.03447	1.9
59.01373	29.8
60.07457	0.6
68.99836	0.8
69.03437	0.8
70.08952	0.7
71.01377	1.2
71.05019	6.6
71.51478	0.8
73.02940	2.3
83.01377	1.2
83.05001	1.8
85.02937	1.9
85.06573	1.0
86.35875	0.7
99.00869	1.4
111.00877	2.1
111.08150	11.9
113.02442	2.5
127.00363	1.0
127.04002	0.8
136.21753	0.8
136.98766	0.9
137.09702	8.3
139.07619	5.8
139.11244	4.6
153.12871	9.0
154.99831	0.9
155.10765	100.0
156.11099	2.6
156.75441	0.9
157.08682	46.1
158.09035	1.6
166.47885	0.8
169.12262	0.8
180.78285	0.6
181.08710	1.0
181.12297	1.7
197.11792	1.1
199.09744	11.4
199.13373	96.4
199.17104	2.7
200.13736	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	199.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01379	0.5
67.01897	0.2
69.75728	0.9
71.01374	0.3
73.02939	3.0
83.01366	0.4
83.05032	0.3
85.02950	0.4
85.59068	0.2
86.03329	0.2
94.04250	0.2
95.05024	0.3
98.20621	0.2
111.00903	0.4
113.02467	0.3
120.05753	0.2
127.33978	0.2
135.08134	1.4
137.09718	8.0
138.10010	0.2
155.10773	100.0
156.11122	3.9
179.07358	0.2
181.08685	0.3
199.09750	8.7
199.13394	1.3
199.17055	0.5
200.10115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09961	0.1
69.62514	0.7
72.76412	0.1
73.02944	2.9
85.02994	0.2
89.96963	0.1
135.08168	1.2
137.09715	8.4
138.10031	0.3
155.10771	100.0
156.11102	3.8
181.08736	0.2
199.09734	8.4
199.13318	0.3
200.10185	0.2
209.40308	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.59437	0.1
54.54289	0.1
57.03435	0.2
57.76525	0.1
69.49168	0.6
73.02943	2.5
75.85893	0.1
83.05020	0.2
102.03496	0.1
135.08144	1.2
137.09712	8.4
138.10036	0.3
155.10767	100.0
156.11095	4.2
177.30096	0.2
181.08673	0.2
199.09741	8.0
200.10059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.19100	0.3
56.98615	0.3
57.03447	5.4
63.25957	0.3
69.94509	0.6
69.94932	1.2
71.05025	4.4
73.02931	1.7
83.05046	0.8
98.20583	0.4
113.02420	0.4
125.09743	0.9
135.08105	0.7
137.09714	7.3
138.10135	0.4
139.11322	0.4
153.11549	0.4
153.11844	0.2
153.12843	9.6
155.10770	100.0
156.11096	3.4
181.08871	0.4
199.09760	9.1
199.13379	69.9
200.13765	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	199.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06526	0.2
55.01872	0.2
57.03432	0.8
59.01369	0.8
67.01881	0.2
68.99811	0.2
69.37184	0.3
69.37582	1.3
71.05021	2.7
73.02947	0.9
83.01369	0.3
83.05016	0.4
85.02981	0.2
97.02969	0.2
97.42236	0.2
99.00885	0.3
109.02955	0.3
111.00874	0.4
111.08172	0.3
113.02422	0.4
115.74532	0.2
136.24635	0.2
137.09711	1.1
139.11290	3.3
153.12836	10.9
154.13066	0.2
155.10768	9.6
156.11128	0.2
157.08670	1.0
181.08659	0.2
181.12451	0.5
199.13379	100.0
200.13730	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	199.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85753	0.5
57.03454	0.9
59.01368	2.1
61.98826	1.2
67.01871	2.2
68.99797	0.9
69.03469	0.6
70.64986	0.5
70.65321	1.4
71.01366	1.3
71.05016	1.5
73.02953	0.6
74.02454	1.3
81.03481	0.6
83.01373	2.3
84.74481	0.5
85.02919	1.4
92.99809	1.7
97.02909	0.7
97.06561	0.7
99.00877	2.8
99.04548	0.5
99.08155	1.2
109.02933	1.2
111.00834	4.0
111.08159	0.8
113.02458	2.6
121.10211	1.4
127.00347	2.1
127.03995	1.6
136.98796	1.5
137.06033	0.7
137.09695	2.0
148.11510	0.7
153.12801	1.7
154.99849	1.1
155.07147	3.9
155.08986	35.1
155.10765	10.2
156.09332	0.6
156.89386	0.9
162.83899	1.0
163.11301	1.2
164.83565	1.3
165.09195	5.5
169.12299	6.8
171.04472	0.7
173.50696	0.5
181.12321	18.0
182.12740	0.8
197.11801	1.1
198.98749	1.3
199.04161	0.9
199.06061	1.6
199.07922	5.9
199.09683	3.1
199.13377	100.0
199.17126	2.1
199.80478	0.9
200.13776	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	199.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.7
59.01361	0.7
69.40553	1.2
69.40957	2.8
71.05019	6.6
72.84899	0.4
77.31505	0.5
79.86079	0.5
83.05002	1.1
83.47004	0.4
110.92407	0.4
111.00875	0.5
113.02458	0.6
125.09695	1.0
153.12837	14.0
153.14104	0.7
155.10745	1.7
173.21820	0.5
182.91229	0.4
197.12022	0.4
199.13377	100.0
200.13715	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	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
57.11053	0.2
59.01379	0.3
67.01881	0.2
69.03448	0.2
70.86182	0.4
71.01354	0.1
71.05016	4.3
73.02946	0.6
83.01392	0.3
83.05030	0.5
85.02953	0.2
90.10092	0.2
92.99795	0.2
99.00848	0.4
99.08163	0.2
108.04304	0.1
111.00870	0.5
111.04478	0.2
113.02409	0.2
123.08132	0.2
125.09702	0.8
127.00363	0.3
127.04016	0.3
135.08128	0.3
136.98816	0.3
137.06068	0.2
137.09717	2.3
139.11281	4.0
140.11621	0.2
153.12843	10.7
154.13203	0.5
155.10771	29.0
156.11107	1.5
181.08728	0.2
181.12323	0.2
184.00165	0.2
197.11859	0.2
199.09673	3.3
199.13382	100.0
200.13724	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	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03442	0.8
59.01366	1.6
61.98833	0.6
67.01875	1.9
68.99808	1.0
69.03432	0.4
71.01354	0.8
71.05004	1.6
71.52077	0.4
71.52428	0.5
73.02927	0.7
83.01374	1.1
83.05009	1.2
85.02948	1.0
92.99808	1.7
99.00874	2.9
99.08192	0.9
111.00875	3.0
111.04467	0.5
113.02419	1.9
127.00356	1.4
127.03991	1.6
136.98796	1.4
137.09729	0.9
139.07561	0.5
153.12888	0.6
154.99837	1.1
155.08965	2.1
155.10780	6.5
156.89441	0.8
157.08702	0.7
158.68896	0.4
162.83954	1.1
163.11313	0.9
164.83595	1.7
169.12320	4.7
171.04465	0.6
181.08818	0.8
181.12326	16.2
182.12697	0.8
184.05290	0.4
197.11745	1.9
198.98849	0.6
199.06155	0.9
199.09644	3.4
199.13374	100.0
199.16969	2.8
199.80519	1.2
200.13742	3.6
205.16406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68744	0.1
55.01874	1.8
56.55928	0.2
57.03441	0.2
58.99600	0.2
59.01365	0.3
61.98820	0.4
68.52103	0.1
69.43285	0.5
69.43715	0.8
71.01374	0.4
73.02943	100.0
74.03286	1.2
93.07088	0.4
95.01387	0.3
103.16891	0.1
105.68110	0.2
109.01180	2.9
115.55527	0.1
117.01929	1.0
121.02963	0.5
123.00896	1.3
123.08157	0.6
125.02422	0.2
126.90517	0.6
138.03209	0.4
153.01953	0.2
153.05521	0.5
153.07426	4.0
153.12830	0.3
160.84264	0.2
162.83910	0.4
163.07703	0.2
166.99843	1.0
169.12344	0.8
182.02191	2.9
182.05768	0.2
197.04515	0.9
197.06339	0.5
197.11813	16.2
197.80785	0.2
198.12134	0.5
216.29803	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37327	0.4
59.01357	1.2
61.98826	1.0
69.03056	0.3
69.03433	1.9
73.02962	0.5
77.19730	0.4
77.28844	0.4
77.81556	0.4
78.02246	0.3
80.96510	0.5
81.03464	0.5
82.02973	0.4
83.05002	0.8
87.00831	0.6
93.07085	1.6
95.01391	1.2
95.05004	0.8
97.06605	0.6
98.19887	1.2
103.97628	0.5
108.02135	0.7
109.01135	2.0
109.02933	0.7
112.01657	1.1
119.08687	0.5
121.02942	1.6
123.00876	3.7
123.08152	0.4
125.09694	0.5
126.90486	2.0
135.08107	0.4
138.03223	1.5
141.09261	0.6
151.11223	0.6
153.01985	0.8
153.05528	1.1
153.07426	14.4
153.09212	2.1
153.12848	3.9
154.07747	1.1
160.84230	1.3
162.83907	5.1
163.07629	2.9
166.99870	3.0
169.10863	0.7
169.12331	14.9
170.12685	0.7
176.92442	0.4
179.10789	1.7
182.02202	5.9
183.02505	0.4
188.74464	0.4
197.00661	0.5
197.04521	2.8
197.06366	1.8
197.11816	100.0
197.80798	3.2
198.12149	4.4
206.34544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03400	0.4
55.61753	0.4
58.05052	0.4
59.01381	0.6
61.98812	1.1
66.89709	0.4
69.03454	1.9
70.69910	0.7
70.70255	0.9
71.01353	0.5
73.02934	0.5
74.00311	0.4
83.05028	0.7
95.01359	0.7
97.06588	0.6
108.29916	0.4
109.02901	0.7
121.02958	0.8
123.00877	4.6
123.08167	0.4
125.02441	0.7
126.90506	1.9
130.08763	0.4
135.08089	0.4
138.03214	0.8
141.09201	1.2
151.11267	1.0
153.01912	0.6
153.05518	1.4
153.07457	0.4
153.09207	1.4
153.12852	3.6
160.84212	1.8
162.83936	4.5
166.99832	2.2
169.12338	15.5
175.34012	0.4
178.99777	0.6
179.10774	1.2
182.02182	5.8
197.04681	2.0
197.11810	100.0
197.80821	3.8
198.12152	4.6
212.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98823	1.6
64.03776	0.3
66.86192	0.3
68.56686	0.3
69.03456	1.0
69.93299	1.2
69.93653	0.5
71.05018	0.8
79.95834	0.3
83.05017	0.3
95.01367	1.1
95.05004	0.3
97.06583	12.3
98.06946	0.3
99.08152	4.6
103.97688	0.5
109.02956	0.6
109.06605	0.4
116.92813	0.5
121.02936	1.2
122.03716	1.3
123.00887	3.5
125.02391	0.3
125.09634	0.6
126.03226	0.9
126.90495	2.0
137.09714	1.8
138.03223	1.0
151.11263	1.0
153.05609	0.6
153.12843	100.0
154.13187	4.6
160.84216	3.1
162.83908	9.3
166.99843	2.9
169.12308	0.5
178.99844	0.4
179.10765	21.3
180.11092	1.2
182.02206	6.5
183.02472	0.3
196.91064	0.3
197.02055	1.0
197.04585	2.2
197.08159	0.6
197.11823	12.6
197.80807	6.0
198.12122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58395	0.8
56.15024	0.9
57.03446	4.5
57.79012	0.8
58.17976	0.9
58.99596	4.2
59.54332	0.8
62.48250	0.8
63.10235	1.0
67.01896	1.1
68.56866	1.0
70.63750	2.3
80.50553	1.0
83.05013	1.2
85.02945	1.8
85.06580	10.8
85.10022	1.0
93.07090	15.2
95.01356	2.4
95.05013	5.4
108.71513	0.9
109.01180	10.5
113.42163	0.9
119.08667	5.6
121.02959	1.8
123.00874	6.4
124.03501	2.9
125.06039	1.0
126.90505	3.8
138.03238	2.3
153.01886	1.6
153.05449	2.7
153.07428	100.0
153.12830	2.8
154.07718	3.9
163.07628	19.1
166.98521	1.1
166.99806	4.9
167.77730	0.8
169.28983	0.9
182.02237	8.7
197.02895	1.2
197.04544	3.9
197.06371	13.4
197.08083	1.4
197.11807	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03452	0.1
58.56429	0.1
59.01378	0.6
61.98828	0.8
62.47848	0.1
66.03467	0.1
69.03453	1.7
71.01393	0.3
78.95889	0.1
80.02697	0.1
81.03458	0.2
83.01410	0.2
83.05011	1.0
85.06596	0.1
95.01393	0.3
95.05042	0.1
97.02941	0.1
97.06606	0.4
98.20748	0.2
103.97654	0.3
109.02935	0.3
109.06564	0.2
111.00889	0.2
116.92865	0.4
121.02950	0.6
123.00866	1.8
123.04529	0.1
123.08171	0.4
125.02488	0.1
125.09742	0.3
126.90477	0.9
135.11861	0.2
137.02480	0.1
137.09758	0.2
138.03195	0.4
138.16595	0.1
141.09221	1.0
151.11275	0.7
153.01923	0.4
153.05568	0.4
153.09227	1.4
153.12833	3.8
160.84204	3.2
161.84282	0.2
162.83899	8.0
166.99821	1.4
167.10693	0.2
169.12323	15.6
170.00446	0.1
170.12646	0.6
178.99713	0.1
179.10738	1.7
182.02184	2.9
182.05740	0.1
183.02531	0.1
196.81003	0.2
196.91096	0.2
197.04562	1.2
197.11807	100.0
197.80760	5.1
198.12149	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	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.98707	0.4
51.23802	0.4
52.99162	0.4
59.01376	1.1
61.98827	2.2
64.01907	1.0
65.01475	0.4
65.03953	1.5
66.03490	0.4
67.33639	0.4
69.03448	0.6
71.01384	1.0
71.51632	0.5
73.39085	0.4
93.03470	1.1
95.01377	1.9
109.02947	11.8
110.02471	0.7
116.74002	0.4
116.92793	0.9
117.13824	0.4
121.02950	3.3
122.02547	0.7
123.00867	8.4
125.02444	1.0
126.90496	4.8
137.02435	18.1
138.01978	0.7
138.03151	1.6
138.47731	0.4
139.00345	0.5
140.03517	2.7
150.01967	3.0
153.01961	0.8
153.05568	2.5
153.09238	0.6
153.12859	0.5
160.84195	5.4
161.84219	0.5
162.83911	14.1
166.01453	0.7
166.99892	6.4
167.02203	8.3
167.03540	0.8
169.12341	0.9
171.67250	0.4
176.02007	0.4
178.99854	1.4
180.01755	11.4
182.00639	0.7
182.02206	12.9
197.02019	100.0
197.04494	3.3
197.08121	1.1
197.11807	6.9
197.15468	0.5
197.80791	9.2
198.02324	2.6
198.04005	0.5
199.01122	0.6
212.00752	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	197.0453
Annotation	Syringic acid
Peak:m/z	Relative Intensity
55.01899	0.3
63.02398	0.9
64.87050	0.2
65.00311	1.4
67.01881	0.6
68.99799	0.6
69.54128	1.6
69.59469	0.2
71.01389	0.4
71.54700	0.2
78.01089	1.4
79.01902	0.3
82.00632	0.3
83.01373	1.1
89.00326	9.4
91.01891	4.7
92.99805	0.5
94.72839	0.2
95.01388	4.0
97.02930	0.5
97.06580	0.4
99.00925	0.5
106.00603	10.5
109.02973	0.2
110.00084	0.6
111.00882	2.2
112.98801	0.9
121.02950	100.0
122.03291	3.0
123.00876	20.8
124.01246	0.4
126.90536	0.4
127.00373	2.4
135.08174	0.4
136.98811	2.3
137.02441	0.5
137.99602	0.6
138.03218	7.2
139.00357	3.0
139.03996	0.6
141.01918	0.5
146.97249	0.2
153.01961	1.0
153.05566	63.9
154.02692	1.1
154.05879	1.9
154.99876	0.6
165.01949	0.7
166.99841	12.2
176.76460	0.3
181.01483	0.3
182.02196	30.2
183.02502	0.9
197.04536	37.1
197.11697	0.5
198.04837	1.0
201.39595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34549	1.4
57.03445	1.4
59.01358	2.0
61.98829	11.1
65.68301	1.4
71.01397	1.9
71.05040	2.0
71.21636	2.7
80.96535	1.8
81.03437	1.9
95.01384	7.0
97.06581	2.3
99.00831	1.8
103.97636	1.4
109.02930	4.2
111.00899	2.1
111.04535	1.9
112.01652	1.7
116.92823	7.4
118.32914	1.3
119.01425	1.3
121.02952	8.4
123.00861	24.4
123.04500	2.9
125.02428	3.6
125.06082	1.8
126.90505	15.2
134.06813	1.7
137.02432	2.1
138.03198	5.6
139.79166	1.6
140.26674	1.3
142.56120	1.5
151.00327	1.8
153.01897	5.5
153.05566	5.5
153.09190	2.8
153.12857	10.4
154.01541	1.6
160.84201	34.4
161.84274	2.2
162.83896	100.0
166.76772	1.4
166.99861	18.1
169.12299	2.7
178.99837	4.2
179.10667	2.6
182.00633	3.1
182.02194	45.9
183.02588	1.8
188.08432	1.5
196.91063	3.1
196.98430	1.4
197.02216	2.7
197.04457	14.7
197.06049	58.4
197.07944	2.4
197.11794	24.5
197.15466	2.2
197.80753	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55246	1.8
57.03443	5.3
59.01376	27.8
61.98804	1.7
68.99570	2.7
69.03458	100.0
70.48932	5.2
71.01377	2.6
80.02675	2.1
80.96525	2.6
81.03450	5.0
83.05022	8.2
87.00884	2.6
93.03464	7.0
95.05017	8.2
97.06586	9.5
98.12834	1.6
107.05034	2.3
107.08649	3.6
108.18470	1.8
109.02927	2.7
112.98589	2.3
121.02945	4.2
121.06645	3.2
123.00909	3.2
123.04525	3.1
125.06104	2.6
129.01907	1.8
130.99208	3.1
133.10274	5.1
149.09731	9.0
150.03195	8.3
151.04004	4.2
151.05862	3.6
151.07610	3.2
151.11278	56.3
159.08151	9.3
160.84203	7.2
165.01903	2.6
165.05617	4.3
167.10799	14.4
169.79237	1.6
177.09195	40.6
180.04298	7.8
180.08009	2.2
195.02988	2.8
195.05104	2.6
195.06630	7.2
195.10255	86.2
195.13843	4.6
195.81076	2.7
196.10622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.3
59.01382	27.5
69.03453	100.0
69.84598	4.4
69.85004	5.7
71.01379	3.0
76.22366	1.9
83.05016	8.2
93.03442	9.5
95.05013	9.5
97.02934	2.0
97.06588	6.5
98.54542	1.7
107.08673	2.8
108.05793	3.4
121.02903	2.3
121.06606	3.0
121.31161	1.9
123.00930	2.4
123.04549	2.8
123.08185	2.0
125.06073	2.2
130.99234	3.3
133.10223	7.1
133.28534	1.9
135.06642	2.0
149.09714	8.9
150.03197	9.2
151.11275	57.3
159.08134	8.0
160.84213	11.3
165.01952	1.9
165.05560	5.9
167.10785	15.5
177.09212	36.9
180.04262	6.7
194.99330	1.7
195.05052	2.3
195.06589	5.6
195.10249	77.1
195.81128	3.2
208.41708	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1388
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.70367	0.2
59.01369	0.8
61.98834	1.0
66.03479	0.4
69.67508	1.1
74.74829	0.2
76.97893	0.2
77.05818	0.2
94.04280	0.3
98.19933	0.2
107.05016	0.2
108.02127	0.2
109.06580	4.0
111.08144	2.8
121.02985	0.3
121.24524	0.2
122.03719	0.5
123.00845	0.3
123.04510	0.5
125.09702	0.6
135.11768	0.4
137.02400	0.3
138.06818	0.6
139.07715	0.2
150.03212	0.9
151.03996	0.3
151.07623	0.3
151.11290	0.6
152.91695	0.3
158.84657	0.5
160.84203	11.5
165.01923	0.4
165.05577	0.6
167.03519	0.2
167.14391	6.2
176.89479	0.5
179.10771	4.2
180.04327	0.4
180.11418	0.2
188.79141	0.2
194.90387	0.4
194.99440	0.4
195.13892	100.0
195.81099	5.5
196.14220	4.5
212.97058	0.2
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	Quinic acid
Peak:m/z	Relative Intensity
53.99666	0.5
57.03434	0.6
59.01367	2.1
67.05528	3.6
69.03461	0.8
70.34583	1.1
70.34972	1.1
71.05019	0.8
72.99311	15.0
75.00874	1.0
78.56892	0.5
85.02945	4.6
85.06581	6.9
87.00867	4.8
87.04512	3.7
90.71818	0.5
93.03445	0.8
99.04505	3.1
101.06078	100.0
102.06418	1.2
111.00882	7.7
111.04510	1.2
115.04008	39.5
116.04311	1.3
123.66592	0.6
129.05577	27.5
145.05061	6.2
147.06648	2.3
167.21956	0.5
191.05608	44.9
192.05965	1.1
193.78865	0.5
199.01115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
55.01873	0.3
59.01370	2.4
64.60014	0.3
69.03454	1.0
71.01373	2.2
73.02944	2.6
76.72716	0.2
83.01373	1.2
85.02945	2.8
86.00112	0.3
87.00865	2.0
89.02440	0.3
89.03956	3.7
93.03430	0.6
95.01380	0.6
97.02949	1.0
98.20711	0.5
99.00862	1.9
101.02439	3.8
106.04232	1.0
106.06664	0.4
108.02171	0.7
111.00864	0.8
113.02428	0.6
117.03452	7.3
121.02975	1.4
121.06615	0.3
125.02444	1.0
133.02936	2.5
134.03731	100.0
135.04051	2.3
137.02428	7.6
138.02734	0.3
139.03993	2.3
140.01181	0.3
141.01932	0.9
149.02412	0.5
149.06064	11.8
150.03242	1.3
150.05574	0.6
155.03534	0.6
161.04533	4.7
165.01941	0.3
165.05499	0.2
178.02699	25.3
179.03107	0.3
193.05051	20.9
193.07114	4.2
193.08710	0.5
194.05437	0.6
204.43275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0297
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
56.52489	0.2
58.44897	0.2
59.01370	1.3
65.00314	0.4
66.50088	0.2
69.03428	0.3
71.01376	0.9
71.50764	0.4
75.00864	0.6
75.67184	0.2
75.98561	0.2
77.03963	2.9
79.05522	0.5
81.03480	0.3
87.00882	0.7
89.03992	0.8
93.03467	1.4
95.01382	0.4
95.05031	5.5
97.02923	0.4
105.01956	1.0
105.03458	15.7
106.03691	0.3
107.05035	3.0
108.02163	0.7
109.02956	0.6
111.00907	0.3
112.78949	0.3
121.02968	1.5
122.03745	1.2
123.00897	0.4
123.04523	19.3
123.73687	0.3
124.04879	0.8
125.02412	0.4
129.01970	0.4
132.02174	0.8
133.02954	100.0
134.03265	2.5
135.04523	0.6
136.01677	2.1
136.05307	0.6
137.02402	0.4
147.03021	0.3
149.02405	0.4
150.03241	1.7
151.00304	0.3
151.04002	6.9
151.07657	0.5
151.08839	0.3
152.07190	0.3
165.01930	1.1
165.05571	1.0
177.01927	1.2
177.04138	0.3
179.03448	0.4
179.60776	0.3
180.00656	0.4
180.04315	2.1
195.02991	4.1
195.05084	1.2
195.06693	1.7
195.10225	0.6
203.45741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
52.52828	0.6
53.46082	0.5
57.03436	1.4
59.01378	2.7
61.22554	0.5
63.11324	0.6
66.46901	0.5
67.01889	0.8
67.05531	3.1
69.03469	1.4
70.03152	2.4
71.01374	0.8
72.73933	0.6
72.99305	15.4
85.02953	8.8
85.06588	8.1
87.00874	9.4
87.04509	4.3
93.03459	1.2
99.04536	3.9
101.06076	100.0
102.06425	1.9
111.00880	16.9
111.04510	1.6
112.01307	0.6
115.04005	38.1
116.54053	0.5
117.05617	0.9
127.03970	1.2
129.01952	0.8
129.05576	28.9
145.05078	8.7
147.06624	1.7
149.44823	0.6
173.04546	1.3
191.01981	2.3
191.05602	59.9
192.05917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16710	0.2
57.03437	0.9
59.01370	2.9
67.01899	1.3
69.03433	0.3
71.01378	2.2
71.15683	0.4
71.16008	0.3
73.02924	0.9
81.03445	0.7
83.01379	0.3
83.05011	0.9
85.02946	22.3
87.00872	7.7
93.03450	7.6
93.04031	0.4
95.01446	0.4
96.02160	0.3
99.00838	0.4
99.04509	1.0
101.02435	0.5
109.02946	1.5
111.00871	3.8
111.04513	2.2
113.02432	0.3
125.02422	0.3
127.04014	4.1
143.03499	0.3
148.94992	0.7
153.01842	0.3
155.03471	0.5
171.02992	1.1
173.04504	2.3
191.05594	100.0
192.05981	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03442	3.0
59.01383	3.0
60.13728	0.4
67.01873	1.2
67.05509	0.6
69.03432	0.6
70.90585	0.8
71.01368	2.6
72.99290	2.5
73.02933	1.1
81.03445	0.7
83.01351	0.4
83.05006	0.7
85.02943	20.7
85.06579	1.7
87.00873	13.0
87.04499	1.0
93.03448	5.0
99.00896	0.7
99.04492	1.5
101.02431	0.7
101.06072	20.0
101.10359	0.4
109.02940	1.1
111.00871	16.2
111.04512	1.6
115.04002	7.1
117.01894	0.4
127.03996	3.2
129.01912	2.3
129.05573	5.8
130.32214	0.4
131.03481	0.9
145.05049	1.5
155.03474	0.5
171.02936	0.7
173.00888	0.6
173.04520	2.0
180.81506	0.3
191.02069	3.1
191.05592	100.0
192.05989	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03451	1.3
59.01375	11.9
61.98837	0.3
64.01403	0.2
67.01890	0.6
71.01381	0.7
71.52141	0.2
72.99313	0.4
73.02949	1.1
77.03954	0.3
83.01383	0.2
85.02946	6.8
87.00874	7.9
93.03460	0.9
101.02440	0.3
101.06062	0.4
107.78079	0.2
111.00877	17.1
112.01254	0.3
117.01967	0.5
118.99314	0.3
119.05003	1.2
121.02950	100.0
122.03276	2.3
127.04022	0.3
129.01958	1.1
131.03484	0.8
133.65742	0.3
145.86145	0.3
147.00948	0.2
147.04509	6.6
147.08125	0.2
148.01695	0.4
148.84181	0.2
154.99821	0.3
163.03975	0.9
173.00922	0.8
176.01076	1.7
191.01933	1.7
191.03513	10.7
191.05598	8.3
191.07112	0.5
191.10840	0.4
192.03870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65810	0.3
57.03449	4.3
58.40575	0.3
59.01375	4.9
60.52792	0.3
62.05446	0.4
67.01889	2.7
69.03432	0.5
69.95535	0.4
69.95884	1.5
71.01373	4.3
72.99292	1.7
73.02936	1.0
81.03453	0.6
83.01401	0.9
83.05030	0.7
85.02943	33.9
85.06596	0.4
86.03256	0.6
87.00871	26.9
87.04546	0.6
88.01215	0.4
93.03452	6.5
99.00871	1.1
99.04501	1.4
101.02441	0.7
101.06080	7.0
109.02951	1.5
111.00873	43.1
111.04474	2.4
112.01232	0.8
112.98811	3.7
113.02393	0.6
115.04000	2.9
127.03985	4.3
129.01947	4.6
129.05577	2.1
130.99905	0.5
131.03474	0.8
145.05096	0.6
154.99904	0.4
155.03549	0.5
171.02945	1.1
173.00876	0.8
173.04541	1.7
184.17928	0.4
191.02034	5.8
191.05595	100.0
192.05984	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	187.0611
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
50.95843	0.4
59.01377	1.8
70.66766	1.3
71.05029	0.5
81.07096	2.8
95.05027	1.9
96.43468	0.5
99.08172	2.0
105.43749	0.4
113.06071	9.5
125.06084	10.3
125.89737	0.4
139.04010	14.5
141.05573	1.3
143.07130	93.1
144.07431	2.4
169.05051	100.0
170.05383	3.0
187.06102	37.6
188.06416	1.4
200.76340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0764
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.03439	0.7
59.01382	2.2
61.98833	2.9
65.92625	0.3
68.99792	0.4
69.03427	0.4
71.01375	1.3
71.51849	0.3
73.02917	0.3
85.06598	0.4
85.25708	0.4
87.00889	0.4
89.28813	0.3
90.97117	0.4
96.99316	0.9
97.06566	1.3
99.00831	0.4
99.04494	0.6
113.06083	1.0
123.08173	0.5
124.98805	0.4
125.02405	1.1
125.06076	0.6
125.09714	9.4
141.12840	2.2
141.86815	13.1
143.05000	0.4
143.07066	0.8
159.04465	0.7
159.87883	4.8
168.88881	0.8
169.04973	0.3
172.05287	21.1
173.05681	0.5
187.04179	4.0
187.07632	100.0
187.09596	4.8
187.13242	2.4
187.86113	1.2
188.07988	4.1
204.04234	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	187.0975
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
59.01377	77.1
97.06584	2.7
99.08153	24.1
100.08483	0.7
123.08165	1.0
125.09715	21.0
127.07648	10.8
141.86823	0.7
143.10774	0.6
145.08701	100.0
146.09013	3.0
149.90456	0.7
176.46835	0.5
187.06184	0.6
187.07680	2.3
187.09744	10.6
187.11279	1.7
187.13309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
51.53846	0.3
58.97968	0.3
59.01374	79.9
71.01410	0.5
71.50716	0.6
84.13039	0.3
87.00878	0.5
90.56702	0.4
97.06583	1.0
99.08150	24.0
100.08526	0.6
113.06082	0.6
125.02509	0.6
125.06139	0.3
125.09723	2.6
125.61916	0.4
127.07643	17.0
128.07977	0.7
140.36235	0.4
141.12837	1.7
141.86824	1.5
142.71460	0.4
143.07115	0.8
145.08696	100.0
146.09047	2.8
187.04112	0.7
187.07811	2.0
187.09717	2.4
187.13359	9.6
188.13676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0351
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.05180	0.2
53.30497	0.2
69.83887	0.4
69.84308	0.4
75.74197	0.2
102.03483	0.5
112.67828	0.2
116.05006	0.3
116.55128	0.2
141.86786	0.6
144.04539	100.0
145.04889	3.7
159.03264	0.9
188.03510	4.5
190.27347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37872	0.3
54.53036	0.3
55.01904	0.3
57.03444	3.0
59.01379	2.8
60.99301	0.3
65.55207	0.2
67.01890	2.4
69.03446	0.6
70.39499	0.3
70.39702	0.5
70.40076	0.5
71.01378	2.1
72.99296	0.4
73.02944	0.8
81.03477	0.7
83.01392	0.5
83.05026	0.6
85.02949	29.4
86.03268	0.6
87.00874	27.4
88.01245	0.3
92.95991	0.5
93.03452	6.5
99.00885	0.3
99.04501	0.9
101.02452	0.9
109.02927	1.4
111.00879	45.3
111.04498	1.8
112.01225	1.0
119.70669	0.3
127.03999	4.4
129.01956	3.3
147.02995	0.5
148.94923	2.1
154.99879	0.4
155.03477	0.4
171.02974	1.0
173.00897	1.3
173.04576	1.3
191.02034	7.3
191.05602	100.0
192.05959	2.7
192.20393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.6
59.01382	5.8
67.01885	3.8
69.03442	1.0
69.54492	3.4
71.01382	4.8
72.99305	1.7
73.02953	1.1
75.20503	0.6
81.03452	1.1
83.01390	1.4
83.05003	0.9
85.02945	44.3
86.03320	0.9
87.00873	49.7
88.01195	0.7
89.43958	0.4
93.03458	5.9
96.78271	0.5
99.00871	1.3
99.04497	1.5
101.02459	1.6
101.06068	5.8
103.36958	0.5
109.02953	1.7
111.00877	100.0
111.04517	1.6
112.01196	1.5
112.98809	3.2
115.04000	2.9
117.01967	0.6
127.03992	3.3
129.01942	8.1
129.05576	1.1
130.99875	1.1
131.03470	0.9
139.88797	0.5
145.04900	0.6
148.94983	0.6
154.99913	0.7
158.24408	0.5
171.02985	1.0
173.00937	2.3
173.04491	1.2
191.01994	13.1
191.05598	94.2
192.05956	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Scopoletin
Peak:m/z	Relative Intensity
57.03440	0.6
59.01376	8.4
67.01904	0.3
71.01372	0.8
71.05379	0.2
72.99312	0.4
73.02949	1.0
74.82860	0.3
85.02948	5.0
87.00871	5.9
93.03459	0.7
96.94110	0.2
101.06077	0.4
104.02676	16.3
104.76924	0.3
105.02991	0.5
110.41467	0.3
111.00880	10.2
115.03989	0.2
120.02155	1.4
123.00901	0.5
127.04021	0.4
129.01961	1.0
129.05507	0.2
131.03503	1.0
147.00925	0.3
147.04471	0.5
147.08177	0.4
148.01662	16.7
149.01982	0.5
173.04532	0.4
176.01137	100.0
177.01476	3.5
180.00607	0.3
191.01978	1.6
191.03500	24.2
191.05585	9.1
191.10674	0.5
192.03845	0.9
195.61485	0.2
207.62514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.118
Annotation	[1S-(endo,endo)]-1-(Hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
59.01381	3.7
68.99804	0.7
71.51600	0.5
83.05014	1.2
85.06573	0.6
97.02942	0.9
99.25279	0.5
112.98849	1.0
113.02406	0.5
123.08147	1.0
127.79536	0.5
137.09700	1.0
139.11256	1.4
141.09206	2.8
149.09747	1.3
155.10771	30.9
156.11060	0.9
156.32796	0.5
167.10764	28.6
168.11154	0.8
183.10240	0.9
185.11810	100.0
186.12175	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	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01378	29.9
68.99812	1.0
70.36972	1.3
70.37340	1.3
71.01382	3.9
71.05013	5.5
73.02933	0.8
87.04523	0.7
97.02946	1.1
106.17840	0.7
111.08137	1.1
112.98816	2.1
113.02425	0.8
115.04010	88.7
116.04359	2.5
123.08125	0.6
139.11299	2.1
139.87285	1.3
141.09218	3.0
141.12816	0.9
151.85091	0.7
159.56969	0.5
167.10765	16.4
183.10184	3.3
185.00955	0.8
185.11819	100.0
186.12248	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	187.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80505	0.6
53.72268	0.7
59.01375	68.8
60.06423	0.7
61.98815	3.1
69.66970	2.2
69.67384	1.0
69.68810	0.6
71.01365	1.3
73.02943	0.9
90.97147	1.4
96.01629	0.6
97.06589	1.5
100.82272	0.6
113.06078	1.1
115.02519	3.8
115.05486	0.9
117.00437	6.5
122.89397	0.6
125.06087	0.8
125.09718	9.9
132.98152	1.4
141.86781	4.6
142.89343	2.5
143.02000	2.5
143.07135	0.9
144.99934	1.7
159.01479	100.0
159.85995	1.1
159.87801	1.6
160.01651	5.1
184.46861	0.6
186.95575	2.2
187.00983	15.4
187.04044	2.7
187.06081	1.6
187.07642	1.8
187.09744	5.8
187.13402	2.2
188.00775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0246
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
57.93359	0.3
59.01373	0.4
59.45757	0.4
67.01898	1.7
71.01379	0.5
71.05016	1.6
71.06835	0.7
77.13163	0.4
81.03452	5.0
90.14985	0.4
97.02946	0.4
98.02445	0.3
99.04511	42.8
100.04852	0.7
109.04987	0.4
114.98878	0.4
115.04002	10.1
125.02435	100.0
126.02798	2.0
139.48698	0.3
143.03481	11.5
159.74974	0.4
187.02457	15.8
188.02881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.061
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
59.01377	2.3
67.01904	0.6
69.51300	1.0
69.51723	1.2
71.01368	0.5
71.05025	0.6
73.84851	0.3
81.03462	1.1
81.07092	2.7
95.05016	1.9
97.02985	0.9
97.06613	0.4
98.02481	0.5
99.00895	1.3
99.04511	7.8
99.08176	1.2
113.06073	9.2
114.05619	0.5
115.04006	2.0
125.02443	18.0
125.06078	17.9
125.07040	0.5
126.02773	0.3
139.04008	12.0
140.29018	0.3
141.05573	1.4
142.05115	0.7
143.03519	1.6
143.07130	84.2
144.07483	1.9
169.05051	100.0
170.05426	2.9
187.02644	2.5
187.06104	38.6
188.06401	1.4
188.09236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9699
Annotation	3-Phosphonooxypyruvate
Peak:m/z	Relative Intensity
56.48018	1.0
56.83605	1.1
59.98521	1.2
62.82277	1.1
69.54594	4.5
71.01383	7.4
88.02983	1.1
98.20689	1.8
101.02431	1.6
102.94389	16.7
108.90169	2.5
125.99557	3.0
138.98085	6.0
146.93394	2.2
152.95947	2.0
154.97533	2.7
182.96985	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	183.0662
Annotation	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
Peak:m/z	Relative Intensity
56.48129	0.4
57.03432	0.8
59.01385	0.7
65.00327	0.6
65.03953	1.5
67.01886	0.6
68.99846	0.4
69.03465	0.7
73.11319	0.4
83.05016	0.6
93.07087	0.7
95.01390	0.7
95.05041	0.5
97.02927	0.7
97.06544	0.5
111.00869	1.0
111.04555	0.7
121.06615	1.7
124.01653	2.6
124.98839	0.7
133.75948	0.4
139.04076	2.3
139.07648	100.0
139.11201	2.1
140.08037	3.0
152.98262	0.7
165.01906	4.5
168.00638	0.9
182.99289	0.5
183.02994	4.0
183.06618	2.0
183.10275	5.0
198.43950	0.4
204.16391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1025
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
50.21627	0.8
59.01375	3.2
65.03965	6.0
67.01890	1.5
68.99557	1.6
69.03439	4.5
69.78587	3.9
75.42396	0.7
83.05011	1.7
95.01378	1.7
109.06564	2.3
111.00861	2.0
111.04432	0.8
111.08126	1.7
112.00486	1.0
112.98560	2.6
119.36700	0.8
121.06561	2.3
123.00857	1.5
124.01627	1.4
125.06046	0.9
127.07656	1.3
137.02435	1.7
137.09695	2.1
139.00401	2.4
139.04010	3.3
139.07634	3.4
139.11270	16.2
152.98221	0.7
153.00674	1.0
155.10768	18.1
156.11067	0.9
164.98271	1.2
165.01904	1.2
165.09178	3.2
168.00630	2.4
168.02028	0.9
183.00571	5.0
183.02972	4.7
183.06667	3.0
183.10245	100.0
184.10588	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	183.1025
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.03427	7.0
59.01368	4.8
59.98496	2.1
65.03954	9.6
67.01883	5.2
68.99558	9.1
69.03434	10.1
69.30575	4.0
69.30996	9.2
71.01373	2.0
71.05018	5.1
81.03467	3.2
83.05008	7.3
85.02956	2.9
93.03465	4.0
95.01385	4.9
95.04988	2.5
97.06598	2.0
98.95604	1.8
99.04520	10.9
109.02901	2.3
111.00879	7.4
111.04523	3.6
111.08155	2.8
112.00432	2.3
112.98574	13.7
121.06582	7.3
121.10169	2.4
123.00924	2.0
123.04492	2.1
123.08116	2.8
123.52576	1.8
124.01666	2.8
137.02444	2.3
137.09671	6.2
139.00342	2.3
139.04012	9.6
139.05812	1.7
139.07639	6.8
139.11275	23.0
139.99918	1.6
152.98286	5.2
155.10783	3.7
165.01901	5.6
165.07330	2.2
165.09180	3.0
168.00629	6.6
171.26759	1.7
171.30595	1.9
182.99297	2.9
183.02919	11.8
183.04292	1.9
183.06677	7.8
183.10239	100.0
183.13843	5.9
200.02025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0614
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
51.63987	0.6
53.21875	0.5
57.03447	1.5
59.01374	50.9
67.01894	0.8
69.03442	2.6
69.79137	2.6
70.02965	2.6
71.01378	13.8
73.02943	0.7
73.30533	0.6
78.95884	0.7
80.05022	0.8
84.04541	9.3
85.02938	1.7
85.06585	13.2
94.02985	4.5
95.01405	0.9
95.05025	2.3
96.00893	1.4
96.96946	1.0
97.01692	6.4
97.02946	2.3
97.06586	1.7
97.95119	0.6
98.02474	1.6
98.06129	1.4
98.20582	0.6
98.20927	0.5
99.00803	0.6
99.04520	2.7
110.02478	2.5
110.07047	0.5
110.10870	0.5
111.04535	1.0
112.04041	100.0
112.07693	1.2
113.02467	3.4
113.03650	0.7
113.04347	2.6
113.06108	3.8
122.06115	8.8
122.06955	1.0
123.04511	0.9
124.04037	77.4
125.02435	1.1
125.04388	1.4
126.03227	1.0
140.07167	35.5
141.05568	9.3
141.07474	1.2
141.09210	0.9
155.03503	1.5
166.05081	5.6
167.03516	0.7
184.06133	92.1
185.04539	3.2
185.06464	3.0
185.08037	0.7
185.11816	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	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01365	0.2
66.48959	0.1
68.99817	0.1
69.03452	2.8
69.77064	0.7
71.01383	0.2
71.05024	1.6
72.20245	0.1
73.02932	1.0
85.02953	0.2
85.06585	0.4
95.05032	0.1
97.06567	0.8
112.98803	0.3
113.09723	7.6
114.10001	0.3
115.07646	3.8
116.07970	0.2
123.08119	0.3
125.09709	2.4
135.86157	0.1
139.07658	0.2
139.11275	1.1
141.09186	0.5
141.12833	0.8
155.10869	0.1
157.07617	0.1
157.08723	0.8
157.09778	0.1
162.99773	0.1
167.10742	1.0
169.08704	0.3
185.11812	100.0
186.12160	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	179.056
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
53.82106	1.5
55.01881	3.1
57.03446	3.7
58.00594	3.2
59.01379	84.0
65.76111	1.6
68.99801	1.7
69.03454	6.5
70.70999	2.8
71.01377	72.0
72.99308	3.3
73.02934	13.4
75.00870	5.1
83.01379	9.9
85.02950	28.0
87.00873	100.0
89.01881	2.6
89.02441	34.0
89.02953	3.0
94.81699	1.7
95.01389	3.4
96.20294	1.5
97.02952	9.8
99.00873	28.0
101.02438	18.3
107.05022	1.9
108.25445	1.5
113.02448	10.1
114.69862	1.5
117.01941	20.0
119.03531	2.1
125.02438	14.9
134.03751	6.7
134.96181	1.5
135.04509	70.6
136.94000	4.1
141.01941	8.6
143.03497	2.2
159.02980	5.3
161.04546	67.1
177.04108	2.9
178.95079	2.9
179.03545	14.6
179.05608	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03449	13.7
59.01375	19.1
60.94489	0.5
62.22963	0.7
69.03458	3.5
69.20216	2.1
69.20649	3.7
71.01380	19.7
72.01761	0.6
72.99308	1.8
73.02943	1.4
79.05521	4.2
80.02679	1.8
81.03459	4.0
83.01384	1.6
83.05028	3.5
85.02942	4.8
87.00871	18.3
87.01390	1.2
89.02435	6.7
91.05527	20.4
92.05874	1.1
93.03438	1.3
94.02971	0.7
95.01373	0.8
95.05025	17.8
97.02943	3.2
97.06575	6.2
99.00898	4.3
101.02453	2.7
106.04273	0.6
107.05027	2.3
108.02166	5.4
109.02959	1.3
109.06578	6.4
113.02462	1.6
117.01945	3.2
119.08662	2.3
121.02961	1.6
121.06595	2.5
122.03761	0.7
123.04527	22.3
123.08166	2.7
125.02440	2.5
125.06059	0.9
133.06586	1.4
134.03751	1.1
135.04518	100.0
135.08138	6.9
136.04842	3.7
137.09718	2.5
139.11255	1.2
141.01953	1.5
149.09702	8.7
151.00415	1.2
151.04042	0.9
151.11278	13.0
152.11624	0.8
159.02959	1.6
159.08165	2.7
161.04550	13.6
161.09712	37.9
162.10043	2.0
163.07605	6.0
164.01102	0.9
164.08415	19.2
177.04085	0.7
177.09236	1.2
178.81599	1.0
178.99808	0.9
179.03505	12.8
179.05602	15.2
179.07266	1.8
179.10765	92.5
180.03851	0.8
180.11073	3.2
183.10201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.4
55.20670	0.6
55.27924	0.7
57.03444	14.5
58.00597	1.0
59.01374	21.6
63.02398	1.0
65.48214	0.6
69.03464	2.1
69.43768	1.3
69.44175	3.6
71.01377	15.8
72.99295	0.7
73.02960	1.8
75.00915	0.8
75.69122	0.6
77.03983	0.7
79.05524	8.9
80.02668	4.3
81.03444	7.1
83.01386	1.4
83.05013	6.9
85.02958	4.9
86.65472	0.7
87.00871	18.1
89.02427	5.8
93.03468	1.8
95.01421	0.9
95.05016	31.5
96.05366	0.7
97.02968	2.0
97.06577	1.6
99.00867	5.7
101.02387	3.2
105.03494	2.3
106.04243	1.0
107.01381	1.1
107.05016	10.1
108.02144	3.4
109.03014	1.1
109.06602	8.8
113.02465	1.9
117.01930	3.7
119.05027	0.7
119.08647	4.5
119.09374	0.8
121.02951	2.6
121.06581	6.8
123.04523	11.7
123.08172	1.6
124.05270	1.0
125.02434	3.5
129.01999	0.8
130.24535	0.7
133.06500	0.9
134.03764	2.0
135.04509	23.7
135.08144	10.5
137.09718	5.0
141.01958	1.9
144.05809	1.7
144.51154	0.6
145.06561	2.1
146.07402	0.7
149.09695	6.2
151.00320	1.4
151.04007	1.1
151.11273	9.1
152.70383	0.7
159.03029	0.9
159.08173	6.6
161.04543	12.1
161.09706	100.0
162.04839	0.7
162.10007	3.1
163.07614	1.6
164.01193	1.1
164.08398	31.5
165.08778	1.2
177.09200	2.2
178.99919	1.0
179.03491	6.3
179.05589	14.9
179.07236	1.6
179.10754	77.5
180.11076	3.1
190.77753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.087
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
57.03482	1.2
59.01112	0.9
59.01379	13.6
65.00362	1.0
65.69854	0.7
67.01924	1.0
68.29080	0.6
69.03476	1.2
70.11304	1.3
70.11691	1.4
71.01431	1.1
78.75780	0.6
79.95819	0.6
80.02722	1.1
80.58545	0.9
81.03506	2.1
82.00717	0.6
83.05025	13.8
85.06610	0.7
89.02473	1.0
93.03471	3.3
94.04240	10.7
95.01421	0.9
95.05057	1.4
98.00165	0.9
99.00887	3.7
100.67776	0.6
101.02440	0.9
107.01455	0.6
108.02229	1.6
109.02962	1.7
109.06641	2.8
111.00926	0.8
118.96676	0.8
119.08714	2.1
121.06693	0.7
122.03745	1.0
122.07394	2.8
123.00877	10.5
123.04549	2.7
135.08142	5.4
137.02463	1.7
137.06068	1.3
137.09715	36.1
138.01997	3.2
138.10069	1.1
139.04024	0.8
151.00360	72.3
152.00702	2.1
153.09247	1.2
163.07616	1.6
165.01923	1.8
166.02705	100.0
167.03033	3.5
181.01421	1.4
181.05061	21.7
181.08679	23.4
182.05382	1.0
201.25948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0457
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
52.88768	0.3
59.01369	0.5
61.98843	0.3
67.35989	0.3
71.39235	0.4
92.05048	4.0
94.02973	1.1
96.96039	0.5
108.04549	49.0
109.04887	1.2
110.06134	0.9
117.60853	0.3
120.04548	4.8
121.23375	0.3
122.02479	1.0
123.03249	1.1
136.04037	0.5
138.05598	100.0
139.05936	2.2
152.00751	0.3
152.03532	1.0
162.96828	0.3
164.03549	0.4
165.90167	0.3
182.04558	28.2
183.03166	0.5
183.04878	0.6
186.06805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03432	1.1
57.06183	0.5
59.01378	10.5
67.44644	0.5
69.35477	1.1
69.35885	3.1
71.01379	4.9
71.05016	0.9
72.99302	6.4
73.02943	0.7
85.06585	43.4
86.06884	0.7
87.00869	2.4
87.04508	1.8
87.09487	0.6
96.99338	0.9
112.58532	0.6
113.06086	42.3
114.06423	1.0
115.00404	3.5
115.04006	100.0
116.04356	2.4
117.01945	1.6
124.98798	2.4
129.01897	0.7
129.05598	1.6
131.07143	8.7
142.99864	0.9
157.05055	9.7
175.06104	62.5
176.06419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
54.94004	0.5
57.03444	0.5
58.67470	0.6
59.01382	4.3
65.78592	0.5
69.84015	2.2
85.06584	39.4
87.04506	1.2
113.06085	39.2
114.06420	1.0
115.04008	100.0
116.04323	1.4
129.05568	1.7
131.07140	7.0
157.05066	11.3
175.06114	55.3
176.06413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	Esculetin
Peak:m/z	Relative Intensity
57.48970	0.4
59.01376	0.8
69.78288	1.5
77.03954	4.7
80.45723	0.4
81.03463	1.5
82.58555	0.4
89.03971	7.5
93.03463	1.5
95.05026	5.6
96.07423	0.4
98.20647	0.4
105.03457	29.2
106.03803	1.1
107.01385	0.8
109.02995	0.4
121.02939	1.9
123.04521	1.7
129.01956	0.5
132.02153	0.5
133.02953	64.9
134.03282	1.4
139.04030	0.6
149.02406	3.4
162.03239	0.9
177.01920	100.0
178.02274	3.8
181.30450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98823	0.5
69.55524	0.2
70.34335	0.5
70.34734	0.5
71.01384	0.6
79.29908	0.2
79.64272	0.2
87.00888	0.6
89.02434	0.3
108.76694	0.2
119.18404	0.2
119.93739	0.9
134.96085	59.9
135.96138	3.2
136.94002	100.0
137.94078	4.9
144.35204	0.2
151.92709	15.9
152.92783	0.8
176.76974	0.3
178.95050	74.7
179.05618	0.4
179.95155	4.3
195.28476	0.2
196.96069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.65322	0.1
55.01880	0.2
57.03427	0.2
59.01376	3.7
61.11461	0.1
66.17604	0.1
69.03439	0.2
70.34247	0.3
70.34638	0.3
71.01374	2.7
72.99306	0.2
73.02950	0.5
75.00874	0.6
77.56482	0.1
79.05527	0.2
83.01398	0.3
85.02947	0.7
87.00875	3.1
89.02438	1.4
89.03955	0.3
91.05534	0.6
93.03465	0.2
95.01408	0.2
97.02958	0.4
99.00893	0.8
101.02433	0.7
106.04233	0.3
107.05036	1.9
108.02219	0.2
113.02441	0.4
117.01936	0.6
117.03446	0.4
125.02449	0.6
133.02939	0.2
134.03738	6.0
135.04517	100.0
136.03899	0.3
136.04854	3.3
141.01907	0.3
159.03015	0.4
161.04539	2.6
179.03484	17.3
179.05568	2.4
180.03827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
51.27560	0.4
55.01868	1.4
57.03446	5.4
58.00589	0.9
59.01376	18.8
65.97704	0.4
69.03445	1.9
69.74819	0.9
69.75243	1.8
71.01376	19.2
72.99303	1.4
73.02944	2.3
73.72274	0.4
79.05515	0.9
81.03461	0.5
83.01381	2.0
85.02948	5.0
86.17594	0.4
87.00867	17.8
87.01388	1.0
88.55592	0.4
89.02435	8.1
91.05527	17.0
92.05842	0.4
93.03426	0.8
95.01395	0.7
95.05001	3.8
97.02953	2.6
97.06590	3.3
98.19929	0.5
98.47433	0.5
99.00864	5.1
99.54082	0.4
101.02440	3.9
107.05018	1.6
108.02165	2.5
109.02917	1.6
109.06583	2.0
113.02476	2.3
115.26920	0.5
117.01897	3.2
121.02962	1.3
122.03737	0.7
123.04520	10.7
123.08167	0.9
125.02403	2.5
133.06586	0.5
134.03709	1.6
135.04517	100.0
135.08119	2.0
136.04831	2.6
137.09712	0.7
141.01918	1.9
146.03732	0.5
149.09702	3.7
150.05537	0.5
151.00386	0.5
151.11269	5.1
159.02968	0.9
161.04550	11.1
161.05888	0.7
161.09724	4.0
163.07628	3.3
164.01100	1.2
164.04788	0.7
164.08437	4.4
177.04190	0.5
179.00015	1.0
179.01889	0.7
179.03487	13.5
179.05594	15.3
179.07162	1.6
179.10764	37.6
180.11043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.01871	1.8
58.00571	4.4
59.01374	100.0
60.34243	1.6
69.03461	2.7
70.61464	4.2
71.01374	81.0
72.99320	8.2
73.02949	9.0
75.00867	35.5
81.03436	2.2
83.01388	4.0
85.02945	13.9
87.00333	3.5
87.00871	54.8
89.02438	38.5
95.01332	4.2
97.02956	4.6
99.00888	13.9
101.02437	10.6
113.02439	8.8
117.01962	8.4
119.03450	2.2
125.02467	7.9
141.01939	5.8
143.03539	2.2
159.02962	2.8
161.04538	37.2
179.05591	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1181
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.01871	0.3
55.04175	0.3
57.03439	0.6
58.57480	0.3
59.01376	1.9
60.99294	0.4
66.71590	0.2
67.01888	3.5
68.99808	0.7
69.03443	0.8
69.79456	1.2
71.01384	2.9
72.99290	1.0
73.02946	1.9
75.00851	0.8
81.03476	0.5
83.01385	0.5
83.05023	0.7
85.02937	1.2
93.03455	15.2
94.03777	0.4
99.00887	1.3
99.04525	0.3
101.02439	0.6
109.02901	0.3
111.00869	1.4
111.04521	3.2
111.08120	2.0
112.98798	0.6
113.02437	0.3
115.03967	0.3
125.09767	0.3
127.11284	9.8
129.01952	0.3
129.09221	0.6
130.06612	1.0
130.21471	0.3
131.07140	0.5
137.02419	0.7
140.01155	0.4
141.05551	0.3
142.99834	0.8
143.75394	0.3
145.01392	0.7
145.02945	0.4
155.03506	0.4
155.10771	2.0
171.10271	1.1
172.83063	0.5
173.01054	0.5
173.02446	0.8
173.04538	3.0
173.11812	100.0
174.05554	0.5
174.12146	4.1
178.71930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03424	1.9
58.00578	1.6
59.01374	34.6
67.01885	0.7
68.99795	2.3
70.71716	1.4
71.01378	47.2
72.99304	4.6
73.02940	9.5
75.00858	1.6
81.04990	0.6
83.01370	1.9
85.02942	9.4
85.06578	4.5
87.00871	82.2
96.99299	1.8
97.06600	0.8
99.08212	0.7
100.98768	1.6
112.98792	2.9
113.02406	1.5
113.06076	3.3
115.00364	100.0
115.04013	8.6
116.00689	1.0
117.82494	0.7
124.98810	4.3
127.00379	1.4
127.97553	1.6
129.01945	1.7
129.09224	1.3
131.03505	1.2
131.05014	1.6
131.07114	1.0
142.99852	1.1
146.03745	0.8
147.04532	1.2
157.05061	0.8
174.88945	4.7
175.02507	27.0
175.04013	3.8
175.06125	6.2
175.07640	1.8
175.09808	2.1
175.11313	1.1
176.01195	0.9
176.03145	0.7
176.04871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.5
68.99796	7.0
70.89020	11.1
71.01380	18.9
75.00871	8.1
75.43507	5.9
85.06557	5.7
87.00890	10.2
91.73942	5.6
100.98808	95.6
113.06057	9.8
115.00334	24.5
115.04008	18.9
117.01945	6.7
127.97508	100.0
131.01271	6.0
142.99834	21.3
146.50546	5.8
148.98581	12.7
151.27371	6.3
175.02402	9.8
175.06099	13.5
177.51091	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	172.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35209	0.3
58.02977	2.4
63.22731	0.3
66.91450	0.4
70.85699	0.4
70.86035	0.8
71.86440	0.4
74.59890	0.4
80.31000	0.3
93.03437	0.6
103.38050	0.3
111.08163	0.4
128.08012	0.6
128.10818	7.3
130.08730	100.0
131.09088	1.8
172.09781	21.1
173.10199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.0
55.01878	7.2
57.03434	4.2
58.02972	2.3
59.01376	7.1
67.01879	2.8
68.99812	7.0
69.03459	0.9
71.01378	100.0
71.26923	1.3
72.99301	10.0
73.02943	10.8
75.00863	2.2
76.31764	1.1
80.99800	1.8
81.03448	1.1
83.01379	11.6
83.05012	2.4
85.02944	7.0
85.06579	1.9
86.06137	1.4
87.00864	7.5
93.03448	10.6
96.99309	10.7
97.02906	1.0
99.00877	37.7
99.04492	2.1
100.07647	2.9
101.02434	8.0
111.00864	16.5
111.04510	17.4
112.98804	31.1
114.05637	1.2
115.00359	6.9
117.00230	0.9
124.98803	27.5
128.07159	8.1
129.01933	5.9
129.05562	2.8
132.06613	1.8
137.02405	1.1
140.98277	1.8
142.99855	70.2
145.01402	1.3
154.99872	1.2
155.03477	10.8
173.00914	18.5
173.04584	5.2
173.05820	1.0
173.08095	1.0
174.07632	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	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
51.60765	1.5
59.01374	18.9
60.99287	2.3
61.02945	4.6
61.98817	1.7
67.01886	11.5
68.99818	11.9
69.03448	4.0
70.98643	4.1
71.01374	11.5
71.04991	1.7
72.99304	26.9
73.02944	33.8
75.00868	40.5
83.04997	3.4
84.99303	4.2
85.02943	4.3
89.02435	12.9
93.03444	35.3
93.99593	1.5
95.29353	1.7
96.99278	3.2
97.02942	8.5
99.00838	3.1
101.01799	2.7
101.02435	37.2
101.06077	2.4
111.00838	4.2
111.04511	10.4
111.08126	5.5
112.98808	54.8
117.01928	21.7
129.05571	2.0
131.07143	5.0
133.90669	1.5
137.02429	2.2
140.98293	5.9
142.99840	2.3
145.01419	100.0
172.82967	1.8
173.00903	23.5
173.02312	1.9
173.04543	8.2
173.08122	5.4
174.01790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00311	2.4
55.01871	6.2
57.03445	3.1
59.01379	10.1
67.01893	2.2
68.12001	0.9
68.99827	4.5
69.27470	1.6
69.27878	5.2
69.72649	0.8
71.01378	100.0
72.01710	1.3
72.99310	4.8
73.02950	8.6
75.00876	1.6
80.99825	1.8
83.01385	11.4
83.05016	1.2
85.02941	4.7
87.00868	4.7
93.03472	6.0
94.76270	0.8
96.99319	11.1
99.00875	34.6
101.02431	2.9
111.00871	9.5
111.04516	3.2
112.98808	28.5
115.00369	5.1
124.98796	29.5
129.01936	2.7
131.07111	3.3
132.87077	0.9
137.02483	1.1
140.98277	1.8
142.99849	67.1
144.00179	1.4
154.99870	0.9
173.00900	18.2
173.04416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	100.0
59.03322	0.8
66.03465	0.3
68.99821	0.5
69.03454	0.8
70.02982	0.7
70.79362	0.5
80.23016	0.3
81.03453	0.5
97.02964	0.7
106.77467	0.3
108.02158	0.4
109.02479	0.4
112.08544	0.3
119.78754	0.3
122.89428	1.0
123.00910	0.3
124.01659	0.3
125.02443	11.9
125.06070	0.5
125.09703	0.3
132.86761	2.0
151.11218	0.5
151.51192	0.3
153.01556	1.4
153.99088	0.4
157.11749	0.3
168.03917	0.5
168.06656	0.3
168.13913	11.8
168.83641	1.3
168.98920	0.8
169.01399	5.3
169.05092	0.6
169.12549	0.3
186.47310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0506
Annotation	2-Hydroxy-6-oxo-octa-2,4-dienoate
Peak:m/z	Relative Intensity
57.03438	0.3
57.61382	0.2
69.28791	1.1
69.29219	1.2
75.74746	0.2
81.07097	3.5
83.01396	0.3
84.65025	0.3
84.99022	0.3
94.93611	0.4
97.02940	0.7
97.06609	0.6
99.08163	1.4
108.90736	0.3
110.59715	0.3
111.04522	0.3
113.05290	0.4
113.06075	7.3
113.06817	0.5
114.50018	0.3
125.02423	0.8
125.06075	7.1
125.09756	0.3
143.07130	100.0
144.07484	2.5
169.05052	15.1
170.05402	0.6
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
52.88625	0.3
67.79338	0.3
68.99841	0.3
69.66946	1.7
85.02930	0.3
86.21980	0.3
95.04999	0.3
99.00880	0.4
108.02114	0.3
127.07645	100.0
128.07971	3.1
130.08705	0.6
144.04549	0.8
153.05571	0.3
153.34798	0.3
171.02005	1.2
171.06630	11.2
171.10260	5.3
171.13863	0.6
172.04118	0.4
172.06961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0661
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01367	0.6
59.47068	0.4
70.59293	1.0
73.90781	0.5
77.50783	0.5
99.00865	0.9
103.65427	0.5
108.02190	0.6
124.37946	0.6
127.07647	100.0
128.07997	3.8
130.08731	8.8
144.04553	1.3
171.01918	1.1
171.06627	10.2
171.10245	7.4
171.13889	1.6
172.09801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
58.02973	1.3
59.01376	6.5
59.01650	0.5
67.01883	1.5
69.03465	0.5
71.01382	1.5
72.99306	0.5
73.02960	0.7
75.00877	0.5
82.06654	0.6
83.05043	0.9
83.83932	0.3
85.02953	0.7
85.06603	1.2
93.03451	5.9
93.04009	0.3
97.02975	0.3
98.19925	1.0
99.00884	0.7
101.02431	0.4
108.13062	0.3
109.06625	0.4
111.00893	0.6
111.04532	0.9
111.08157	6.8
112.98815	0.8
113.06108	1.3
115.04070	0.3
116.05090	0.4
124.62219	0.2
128.04999	0.3
128.08028	0.8
128.10815	2.4
129.09219	0.5
130.08733	100.0
131.07137	6.5
131.09088	2.2
142.99815	0.3
144.04523	2.8
145.01428	0.9
145.02995	0.3
164.77879	0.3
172.04016	1.2
172.09760	15.0
173.00993	0.4
173.02400	0.3
173.04678	1.4
173.05902	0.3
173.08183	3.7
173.09892	0.5
187.09085	0.3
193.68494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
54.73086	0.4
56.30893	0.4
61.42446	0.4
62.76775	0.4
69.92050	1.3
69.92467	0.8
72.99286	0.3
75.95837	0.4
77.03976	1.2
91.01913	0.5
93.03436	2.4
98.19949	0.5
108.02184	0.8
108.43494	0.3
119.05010	0.5
121.02949	100.0
122.03249	2.5
135.04498	0.7
137.02480	0.9
147.04507	1.5
150.03236	1.1
165.01924	11.3
165.05524	1.8
165.83275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
69.43312	2.3
69.43727	1.1
72.99306	28.6
77.03976	0.5
91.05548	1.3
101.03989	1.5
103.05537	4.8
117.03455	0.9
119.05025	33.3
120.05366	1.6
121.02947	7.3
121.05672	0.5
147.04514	100.0
148.04861	4.8
150.03168	0.9
151.00334	0.8
165.01888	1.6
165.05556	34.0
165.09204	1.0
166.05908	1.4
179.09634	0.5
182.10335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.092
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
59.01369	0.7
61.98799	0.4
65.00330	0.8
65.03974	1.5
66.03471	0.5
71.01380	0.7
71.06556	0.6
72.99294	0.4
73.95316	0.3
75.00864	0.7
77.03962	2.4
87.00887	0.3
89.02445	0.5
91.01894	0.9
92.99826	0.5
93.03455	2.9
93.99330	0.3
94.02993	0.4
95.01415	0.4
107.05023	0.9
108.02201	0.6
108.04567	0.4
109.02952	1.9
119.05029	1.8
120.47800	0.3
121.02953	53.8
121.06600	0.8
122.02471	0.6
122.03308	1.3
123.00936	0.4
123.04523	1.9
135.04509	2.6
136.05295	28.6
137.02444	3.6
137.05649	0.6
138.03218	2.3
138.05574	0.4
147.04517	2.5
149.00952	1.1
150.03220	10.2
151.00298	0.5
151.03598	0.4
164.83614	1.6
164.89621	1.3
165.01933	8.5
165.05547	4.4
165.09196	100.0
166.02470	0.4
166.04968	0.6
166.09554	3.5
168.04337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
60.55308	0.5
68.75403	0.6
70.02753	2.4
92.05059	4.2
94.02977	1.7
98.19960	0.6
108.04550	90.9
109.04871	1.9
110.06110	1.0
120.04545	5.9
122.02451	0.8
122.06134	0.6
123.03212	1.4
123.04515	1.6
124.01529	2.1
133.55763	0.5
136.04039	10.1
138.05598	100.0
139.05984	2.6
152.01147	4.1
152.03456	2.3
164.03540	1.0
166.05072	63.4
167.02097	2.8
167.03510	1.9
167.05435	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	168.0665
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
50.60309	0.7
53.13307	0.5
55.01873	0.6
57.03451	1.2
57.35239	0.5
59.01385	0.9
60.95921	0.6
66.03479	0.7
68.99822	1.1
69.03455	7.3
69.36053	4.0
71.01397	2.0
75.12245	0.5
75.24654	0.6
76.97012	1.6
78.95901	6.6
80.96535	0.7
81.02164	0.6
81.03443	0.7
82.03001	3.8
82.18179	0.6
83.01380	1.0
85.02957	1.9
90.69446	0.5
92.02213	0.8
92.05069	1.6
94.02974	0.7
94.98071	0.6
95.01375	0.7
96.04538	3.8
96.95982	1.2
97.02953	5.7
97.06591	0.5
98.19908	1.1
99.00893	1.4
107.03757	4.5
107.05016	0.7
108.02140	0.7
108.04553	20.6
109.01788	0.6
109.02427	0.9
109.04881	0.9
110.06100	2.6
111.00864	1.0
113.02422	5.9
120.04556	1.5
121.05325	10.9
122.02500	2.1
122.06116	66.3
123.06428	1.5
124.04031	1.6
124.04838	1.6
124.07613	1.3
125.02467	4.0
125.06101	1.7
125.99626	0.9
126.90395	1.7
126.98814	1.2
135.03261	4.2
136.04001	1.7
138.05606	22.4
139.02733	0.7
139.05927	0.7
141.01929	0.9
143.07130	3.8
148.04092	0.7
150.05594	100.0
150.98875	16.9
150.99937	0.5
151.05939	2.9
152.96828	4.2
153.00514	1.3
153.01688	3.2
153.04311	2.8
153.99086	0.9
166.05081	27.3
168.02885	1.4
168.03899	1.9
168.06645	26.0
168.83607	8.3
168.91402	0.9
168.99921	3.6
169.01453	6.3
169.05045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1121
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
52.07231	0.8
61.98829	13.7
63.12456	1.0
71.51172	1.1
71.51546	1.5
116.92083	8.4
117.91862	0.9
118.99255	6.6
119.05029	32.8
119.07909	0.9
125.02387	1.1
125.84651	0.9
127.62541	0.9
135.04535	1.3
153.59906	1.0
154.61855	1.0
162.89259	1.4
163.00356	3.0
163.04007	4.9
163.11278	100.0
163.99974	1.3
164.11632	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.04689	0.6
56.34187	0.6
70.66745	1.9
72.00903	35.8
74.21509	0.5
77.56358	0.6
77.87483	0.6
91.05553	2.9
103.05524	6.1
112.40302	0.6
119.04975	1.4
120.05406	0.7
142.44821	0.6
147.04507	100.0
148.04865	4.0
164.07153	55.6
164.80643	0.6
165.07494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.23027	0.2
55.01886	0.2
59.01371	1.2
64.10336	0.2
71.01389	0.8
71.49734	0.3
72.99297	1.0
75.00867	10.9
77.03960	5.1
77.88797	0.1
79.95744	0.3
85.02937	0.2
87.00873	4.4
89.02438	0.5
91.01913	0.2
93.03477	0.8
94.02984	0.3
99.00867	0.7
99.31738	0.2
101.02437	0.3
105.01931	3.6
117.01913	0.3
121.02950	100.0
121.20477	0.1
122.02454	0.9
122.03296	2.6
123.04554	0.2
124.09200	0.2
124.71069	0.1
129.01942	1.6
137.02496	1.1
138.05659	0.2
147.02985	1.2
147.04462	0.2
147.48427	0.2
150.03215	0.8
162.18829	0.2
164.89551	0.9
165.01915	9.6
165.04039	7.6
165.05467	0.4
166.02235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76697	0.9
52.43876	1.1
55.01870	2.9
57.03449	8.2
58.00590	3.0
59.01377	47.6
68.99798	3.1
69.03451	2.2
70.23605	1.6
70.23975	2.0
71.01379	100.0
71.05006	3.5
72.01716	1.6
72.99307	8.6
73.02564	1.6
73.02948	22.1
75.00856	4.3
79.39500	0.9
80.88192	0.9
81.03460	5.2
82.36534	0.8
83.01374	10.0
85.02944	40.3
85.03462	1.9
85.32178	0.9
87.00871	57.8
87.04504	1.1
89.02442	12.6
95.01412	2.1
97.02923	3.3
97.91938	0.9
98.20037	1.1
99.00877	35.7
99.04516	9.2
101.02431	16.4
103.00410	0.9
113.02435	7.8
115.00378	1.6
115.03990	1.9
117.05569	1.2
125.02420	0.9
131.02553	1.4
131.03500	20.2
143.03488	2.5
143.88896	1.2
160.89243	13.3
161.00922	2.0
161.02383	2.5
161.04552	19.0
161.08070	1.2
161.89395	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.009
Annotation	(4R)-4-Hydroxy-2-oxoglutarate
Peak:m/z	Relative Intensity
55.01870	3.0
57.03454	4.2
58.00594	2.7
59.01376	44.3
64.14846	0.9
68.99820	3.4
69.03458	2.0
70.35583	0.7
70.43417	2.4
71.01377	100.0
71.05017	2.1
72.01707	1.3
72.84348	0.7
72.99297	8.0
73.02943	20.0
75.00873	2.8
81.03455	5.3
83.01385	7.0
85.02946	33.5
87.00871	55.1
87.04505	1.2
89.02448	9.7
95.01398	3.0
97.02950	3.0
98.19941	0.9
99.00877	42.0
99.04510	5.1
101.02447	10.5
103.00356	0.9
112.98801	1.4
113.02448	7.3
115.00404	1.2
115.04017	1.2
125.02465	1.1
131.03493	17.9
133.02954	1.1
143.03474	1.3
143.89075	0.8
160.89250	8.8
161.00923	2.3
161.02422	2.7
161.04544	15.6
161.06528	0.8
161.89435	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	161.0455
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.79351	1.0
55.01874	1.9
57.03448	16.6
58.00591	1.4
59.01376	41.8
61.20768	1.1
64.75083	1.1
69.03451	2.8
70.45172	2.1
71.01377	48.8
71.05015	36.4
72.99304	6.9
73.02939	25.1
75.00884	1.7
81.03450	3.7
83.01382	9.1
85.02944	41.2
87.00871	30.7
89.02437	7.6
95.01377	5.4
97.02947	4.6
99.00869	4.9
99.04512	55.6
100.04797	1.6
101.02436	100.0
102.02802	1.9
112.27531	1.0
113.02437	10.7
115.03996	6.8
115.07617	1.4
117.05561	12.6
129.01939	1.1
131.03488	16.7
143.03491	19.3
161.04543	67.5
161.08139	1.8
181.53217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
59.36255	0.9
69.84431	3.7
78.39700	0.7
91.05532	100.0
92.05865	2.5
93.03455	1.6
119.05022	33.9
121.38965	0.9
135.04521	8.7
163.04016	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22327	0.2
69.34885	0.2
69.47137	0.7
69.47559	0.6
76.03723	0.2
91.05527	0.2
93.03459	1.1
106.59077	0.2
117.03485	0.3
119.05023	100.0
119.92669	0.2
120.04587	0.2
120.05360	2.9
135.04585	0.2
163.03999	11.7
164.04366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
63.71002	0.2
69.46269	0.9
69.46670	0.4
74.50474	0.2
83.06068	0.2
86.94110	0.2
91.01868	0.3
91.05504	1.0
92.05046	0.5
92.41035	0.2
93.03465	1.4
98.20631	0.4
102.98608	0.3
112.37157	0.2
119.05022	100.0
120.04542	0.7
120.05362	3.1
135.04517	0.5
138.49205	0.2
147.04437	0.4
162.89290	0.6
163.00351	0.9
163.03999	11.3
163.07655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0763
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
53.43814	0.1
58.99627	0.6
59.01395	0.4
71.01418	0.2
71.51387	0.2
74.99130	0.4
85.63059	0.1
91.01909	0.2
91.05548	0.6
92.48792	0.1
93.03449	0.3
102.98594	1.2
102.99126	0.1
118.99280	0.4
119.05019	9.4
119.46168	0.1
120.05373	0.5
121.02956	1.3
122.03709	0.2
135.04465	0.2
147.04526	2.3
148.05289	100.0
149.05621	3.8
151.85243	0.1
162.83917	0.4
162.89339	0.3
163.00397	0.4
163.03978	1.6
163.07616	5.1
163.11267	0.6
173.12440	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	155.1077
Annotation	60046-50-6
Peak:m/z	Relative Intensity
59.01383	0.4
69.13827	0.4
69.96832	0.7
69.97231	0.8
73.02941	5.9
98.19962	0.6
102.51982	0.3
135.08136	0.5
137.09697	4.4
140.01085	0.5
155.10770	100.0
156.11098	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	155.1078
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01873	0.7
55.79886	0.3
57.03428	0.6
59.01369	1.4
61.56059	0.3
73.02941	6.4
81.03466	0.3
83.01380	1.4
84.00908	0.3
85.02947	1.3
92.07117	0.3
98.19876	0.6
99.04523	0.4
110.02597	0.7
111.00885	0.7
111.04514	0.4
111.08186	0.5
113.02428	1.2
114.05602	1.4
125.06114	0.4
127.00358	0.4
137.09717	4.2
140.01129	1.2
146.06125	0.4
154.99875	0.5
155.03508	0.9
155.10771	100.0
156.06630	0.5
156.11107	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	157.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86314	0.4
57.03449	0.6
59.01383	2.2
66.55744	0.3
67.05525	0.4
68.99807	0.6
69.83270	1.7
71.01379	0.9
71.05025	0.5
72.86308	0.3
84.99308	1.9
85.02944	3.1
101.13235	0.3
111.04552	0.4
113.06081	100.0
114.06409	3.1
127.00342	1.3
139.07669	0.4
139.76880	0.3
156.89461	0.6
157.05052	10.0
157.08749	0.8
157.12331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.94340	0.3
52.91381	0.3
57.03434	1.0
59.01377	1.9
59.19628	0.3
68.99808	0.8
70.99214	0.7
70.99558	0.5
71.01392	0.8
77.84830	0.3
84.99323	1.3
85.02940	6.5
88.69291	0.3
89.33364	0.4
99.00851	0.7
101.13470	0.3
113.06084	100.0
114.06414	2.7
127.00356	1.1
151.66791	0.4
157.01372	0.5
157.05055	9.2
157.08725	1.1
157.12329	0.5
172.26892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0869
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
52.46826	0.9
57.03421	1.2
58.73693	0.9
59.01374	20.2
67.05543	1.2
68.99817	1.9
69.03436	1.9
69.66618	3.4
69.67019	2.2
71.01377	14.6
73.02898	1.3
83.05041	1.9
84.99309	11.9
85.02928	1.7
86.02427	1.1
95.05019	1.0
97.06585	1.1
98.19978	1.9
99.00869	2.5
109.06576	6.7
111.04506	1.9
111.08141	3.8
113.06053	1.8
113.09725	1.7
115.00500	1.0
127.00365	8.7
127.07644	35.1
139.07642	26.8
156.89494	1.9
156.97780	1.6
157.01413	2.4
157.03310	1.2
157.08684	100.0
157.12228	5.1
158.06088	0.9
158.09029	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	159.0298
Annotation	2-Formylglutarate
Peak:m/z	Relative Intensity
50.22720	0.6
53.38885	0.6
55.01871	9.6
57.03445	25.3
58.00597	3.8
58.03757	0.7
59.01384	1.5
59.05006	0.9
67.90399	0.7
69.03463	0.8
71.01373	4.7
71.04239	1.2
73.02936	1.9
78.55936	0.9
83.01381	100.0
84.01717	2.0
85.02944	10.6
86.06164	0.7
87.00861	1.0
87.04510	15.5
98.00072	1.7
99.00900	4.1
115.04021	0.7
127.00354	7.0
129.01915	1.3
159.02997	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
52.87477	0.8
56.26334	0.7
57.03451	1.2
59.01374	9.9
71.01373	2.5
71.19931	1.4
75.00867	2.4
81.93241	0.8
85.02953	1.9
92.24200	0.9
100.04008	0.8
100.54401	0.9
101.02415	1.8
101.18864	0.8
102.05601	100.0
103.05952	2.8
109.89877	0.8
126.13298	0.8
128.03529	44.5
129.01910	2.2
146.04593	23.0
147.03009	1.9
147.04897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
51.13999	1.4
52.75103	1.3
57.03442	14.1
58.00578	4.5
59.01375	100.0
60.01704	1.6
60.89076	1.2
67.01884	3.0
69.89333	6.3
71.01367	25.2
72.64539	1.4
72.99306	9.0
73.02911	1.4
75.00867	30.7
77.51441	1.4
83.01389	7.4
85.00513	1.2
85.02944	6.6
86.50743	1.3
87.00871	6.6
89.02437	10.6
99.00888	7.8
99.12412	1.3
100.72186	1.3
101.02415	6.8
102.05610	6.4
103.05315	3.2
103.05934	21.0
105.70273	1.4
111.00871	6.8
117.01844	1.7
129.01920	11.4
129.03877	10.9
130.03935	1.4
142.85858	1.5
147.02997	11.5
147.04851	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01370	11.9
59.30218	5.7
63.24189	6.2
69.86279	30.3
71.01369	22.8
75.00893	6.5
99.00882	9.3
103.05525	23.6
119.04999	19.0
121.03014	6.1
147.04506	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	148.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
60.21155	1.7
66.92008	1.7
69.93212	8.8
71.01378	3.5
71.08964	1.6
86.03259	1.5
87.14234	1.9
89.02428	7.4
95.05022	5.1
105.03448	3.4
107.83620	1.7
119.05008	3.8
121.02953	37.9
134.03778	2.2
147.04523	19.5
148.05289	100.0
149.02428	24.2
149.04483	4.2
149.05804	6.5
169.74556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
56.65640	2.0
59.01376	27.6
61.72324	1.9
64.42073	2.1
69.03436	4.6
69.97271	8.8
71.01373	38.6
72.99316	15.7
73.02940	26.5
75.00869	68.0
81.99780	2.5
85.02943	4.6
87.00874	14.9
89.02440	100.0
101.02431	2.5
103.03992	10.0
121.02954	3.8
131.03493	17.5
131.70505	1.9
134.45419	2.7
149.02563	4.3
149.04541	84.9
150.04129	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
51.18547	1.0
52.40998	0.8
70.88022	1.1
70.88349	1.6
72.78530	0.8
72.99333	1.0
97.06582	1.9
99.08154	100.0
100.08501	3.0
127.07646	1.4
143.07097	1.3
145.08698	53.8
146.08997	2.8
157.13745	0.8
161.57430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95920	0.9
69.45277	4.5
69.45687	2.2
97.06585	1.9
99.08148	100.0
100.08474	3.6
101.02467	1.2
116.09067	0.8
126.00591	0.8
127.07681	1.1
143.07072	1.1
145.08691	52.5
146.02472	1.2
146.09010	2.0
156.89183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64919	1.0
55.52731	1.0
61.35994	1.0
68.25786	1.1
69.30718	1.0
69.46533	7.4
75.93098	0.9
77.15539	1.0
83.05051	1.2
83.21169	1.0
96.78721	1.0
97.06596	2.7
99.08150	100.0
100.08490	3.6
121.92693	1.1
124.61725	1.0
127.07658	3.5
143.07153	1.2
145.08698	56.7
146.02499	1.8
146.09027	2.5
147.34842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0713
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.10308	0.7
57.03443	39.6
62.61570	0.8
69.66910	4.0
71.01368	2.0
71.05016	39.0
72.05371	1.2
83.05023	2.2
85.02946	1.6
97.06617	0.8
98.19980	1.3
99.08149	100.0
100.08483	3.5
143.07129	15.5
144.04517	2.4
144.06633	3.5
144.07628	1.1
156.27646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1077
Annotation	Isobutyl isobutyrate
Peak:m/z	Relative Intensity
51.85217	2.1
53.17050	2.1
53.78988	2.2
55.01881	3.9
57.03441	5.5
59.01374	4.4
59.84558	2.1
61.98816	6.4
62.04057	2.2
64.34161	2.1
66.92352	2.1
68.99794	2.0
69.03454	6.7
70.59907	6.4
71.01373	27.7
71.05014	3.9
71.89544	2.2
78.89291	2.1
81.03440	4.7
85.02957	19.9
87.00866	6.6
87.04506	4.3
97.02950	6.1
99.00837	5.0
99.04530	3.9
108.98965	2.2
113.02431	4.2
125.02422	9.5
126.05594	4.0
142.05078	6.8
143.03503	8.3
143.07219	2.8
143.10765	100.0
144.04601	17.5
144.06660	74.3
144.11055	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	144.0455
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
57.03441	0.4
57.47038	0.2
59.01373	0.3
61.98822	0.3
69.96313	1.0
71.01369	0.6
73.02940	0.6
83.01386	0.3
83.05013	0.5
87.00859	0.4
98.06139	0.3
98.20582	0.3
101.02424	1.8
101.06056	0.5
112.85224	0.2
115.00454	0.3
116.05058	1.8
117.03439	0.3
117.55022	0.2
126.03523	1.1
126.05637	0.3
128.60045	0.2
133.75882	0.2
142.03020	0.2
142.05110	0.3
144.04547	100.0
144.06644	5.8
145.01437	0.5
145.03923	0.4
145.04916	6.1
145.06802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
56.16599	0.3
57.03445	0.4
57.79789	0.3
58.75868	0.2
61.98822	0.5
66.37919	0.3
71.01383	0.7
71.27058	0.6
73.02937	0.4
83.05030	0.4
101.02455	1.5
101.06104	0.4
102.03506	0.5
115.00367	0.4
116.05033	0.5
126.05597	0.6
144.04541	100.0
144.06645	6.3
145.01459	0.3
145.04893	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.77303	0.2
53.72083	0.2
57.03433	0.2
59.46889	0.2
64.12603	0.2
71.01379	0.4
71.50806	0.2
71.96238	0.2
96.80997	0.2
99.08138	1.0
101.02432	0.7
108.34711	0.2
116.05063	1.6
117.03458	0.3
126.03493	0.9
126.05598	0.3
142.02951	0.4
144.04547	100.0
144.06615	3.6
145.04892	6.9
145.06886	0.2
145.08701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	Oxoglutaric acid
Peak:m/z	Relative Intensity
56.03670	5.6
56.06130	6.3
56.42982	5.9
57.03433	12.5
59.42207	4.9
71.12147	12.5
73.02938	15.8
85.15693	5.9
87.04349	5.8
101.02440	100.0
145.01416	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	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
53.93904	5.4
57.03436	24.5
69.96552	24.9
71.01373	14.1
73.02945	13.6
74.97212	5.4
80.67007	5.7
80.81403	8.1
98.19976	9.3
101.02427	100.0
114.69553	5.7
115.00361	8.1
145.01410	7.6
158.20161	6.3
163.66147	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	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
52.06886	5.8
57.03424	16.0
70.56243	10.1
71.01365	18.0
73.02936	14.5
87.00886	9.5
101.02441	100.0
102.02760	7.0
102.05625	11.4
108.50706	5.0
115.00352	13.1
115.38062	6.1
118.68253	5.8
119.76112	5.8
122.36800	5.7
144.96432	13.9
145.01436	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06929	4.6
52.06092	4.0
57.03441	14.3
60.78897	4.1
70.82382	4.8
70.82700	4.7
73.02945	12.6
83.01391	4.5
90.22399	5.1
101.02441	100.0
119.66063	4.9
127.00447	4.7
143.83867	4.5
145.01445	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
50.73560	0.3
50.82147	0.3
59.18633	0.3
65.03956	0.7
65.08995	0.3
66.84995	0.3
70.32072	0.8
83.75045	0.2
90.08575	0.3
93.03454	100.0
94.03785	4.6
97.77994	0.2
101.21778	0.3
108.02145	0.6
137.02438	22.4
138.01935	1.1
138.02829	0.9
155.80861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.69175	0.2
52.86543	0.2
54.76179	0.2
67.01870	0.3
69.45896	1.2
79.95727	0.3
94.03813	1.2
95.01382	0.4
105.31943	0.2
108.02170	50.8
109.02505	2.4
111.00890	1.2
123.03271	0.3
128.51099	0.2
129.90886	0.2
138.01964	100.0
138.86008	0.6
139.00421	0.6
139.02316	4.8
139.03993	0.4
144.44458	0.2
154.09161	0.2
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
55.01872	2.0
65.99839	1.2
67.01876	3.2
68.99835	1.2
69.38979	3.2
69.39413	3.9
80.44320	0.9
83.01408	2.1
93.03461	2.6
94.03786	8.0
94.98077	1.1
95.01385	1.4
95.05019	3.5
108.02148	5.0
110.03202	0.9
111.00877	12.0
111.04516	1.3
120.04501	1.0
123.03262	76.7
124.03603	3.3
126.77922	1.0
137.99605	1.2
138.01878	10.3
138.02896	7.4
138.05598	100.0
139.00362	7.4
139.03955	4.4
139.05937	4.2
139.07692	2.3
146.96167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0765
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
55.01863	16.1
67.01866	17.1
68.99804	10.6
79.81392	10.3
79.95697	14.0
83.01377	21.4
94.98086	21.6
105.50221	11.3
111.00880	73.8
111.04488	11.5
111.08031	10.6
117.65433	10.1
119.36403	11.6
123.74935	10.0
124.01643	16.6
139.00374	60.0
139.04015	32.4
139.07675	100.0
139.99294	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	141.0558
Annotation	mesifurane (enol form)
Peak:m/z	Relative Intensity
51.70291	0.9
55.01866	4.8
56.74580	1.0
59.01109	1.5
59.01377	18.5
67.01881	2.8
68.99815	27.1
69.03457	3.6
69.84098	1.8
69.84486	2.8
71.01381	3.5
71.05019	2.4
72.99303	1.0
83.01397	3.7
85.02946	7.2
95.01376	9.0
96.04556	1.1
97.02945	3.4
97.06583	4.0
98.06135	1.0
99.00871	3.6
111.00889	11.8
111.04508	21.6
112.98788	1.6
113.02467	4.1
123.00894	4.2
124.78622	1.0
125.99522	0.9
141.01973	13.1
141.05579	100.0
142.04977	4.5
142.05948	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
66.64828	0.9
70.45119	3.8
71.01377	65.8
72.01727	1.6
72.99310	15.1
78.69805	0.9
81.33513	0.9
87.00890	1.7
89.02435	7.3
93.07619	0.9
98.20604	1.0
115.00364	100.0
116.00715	3.0
120.13625	1.1
133.01425	26.8
133.90700	1.0
135.45654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
51.43079	0.9
54.68921	0.8
59.01356	1.9
61.46888	0.9
70.93532	2.4
71.01379	62.1
72.99299	15.3
79.76121	1.0
83.52155	0.9
87.00866	2.2
89.02447	9.7
97.43064	0.9
107.03631	3.3
115.00367	100.0
116.00700	3.9
125.84998	1.0
132.86768	0.9
133.01425	28.7
134.04729	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
55.64968	0.8
59.01361	1.3
69.39170	1.9
69.39582	4.3
69.72099	0.8
71.01378	56.6
72.01732	1.1
72.99304	12.8
77.03968	1.2
77.19656	0.8
87.00858	1.6
89.02450	7.6
93.57719	0.7
93.61436	0.9
95.05051	1.5
105.03440	2.8
115.00366	100.0
116.00703	2.9
133.01413	29.1
133.02959	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63924	0.3
63.55345	0.3
65.01440	0.6
68.02552	0.4
70.53540	0.3
70.53886	0.7
72.01694	0.4
72.63776	0.3
75.00825	0.3
80.02560	0.3
92.02547	6.7
106.61065	0.3
107.03636	25.9
108.03969	0.8
116.00710	0.7
126.94386	0.3
128.86813	0.3
129.85789	0.4
134.04726	100.0
135.05232	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	129.0558
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
50.19622	2.1
55.01864	6.5
57.03446	9.4
58.29646	1.9
59.01365	4.4
64.55410	1.5
67.01883	7.3
67.15332	1.6
68.99812	5.5
70.58984	4.8
70.59318	1.8
71.01392	3.5
73.02953	2.9
83.05000	4.9
85.02942	30.4
85.06581	100.0
86.06902	2.1
87.00866	2.6
101.02441	11.0
108.64987	1.7
111.00797	1.8
111.04487	8.8
112.90702	2.4
128.90149	15.6
129.01949	16.4
129.05566	28.0
130.08754	20.6
135.84883	1.8
139.62636	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	129.0557
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01863	13.9
55.33289	14.3
71.01357	15.9
71.24228	26.1
85.02946	56.2
85.06602	16.0
127.57619	13.4
128.90141	28.3
129.01938	37.3
129.05551	62.7
130.08749	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	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
59.28252	17.1
64.78738	14.9
67.02407	13.2
69.47452	100.0
71.25356	12.9
84.11225	14.4
85.02961	24.0
129.05542	46.0
142.76497	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	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65541	0.7
59.01375	1.1
70.82529	1.1
73.02950	1.2
88.85782	0.5
100.40439	0.6
111.98267	0.6
130.08730	100.0
131.09093	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
68.51679	0.3
70.56006	1.2
71.01377	64.9
72.01720	0.8
72.99303	15.8
87.00883	1.2
89.02443	7.9
115.00366	100.0
116.00722	2.4
126.30384	0.4
133.01424	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
55.88234	0.4
59.01372	0.7
60.39583	0.5
62.19765	0.4
70.40137	0.6
70.40470	0.8
71.01376	61.4
72.01719	1.2
72.99302	13.2
87.00861	1.9
87.86157	0.4
89.02437	8.1
112.63962	0.4
115.00362	100.0
116.00697	3.5
124.51533	0.4
133.01416	29.3
134.01759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.0
62.11198	0.7
69.52874	0.7
69.96343	0.6
70.50258	1.5
70.50646	1.9
71.01379	63.3
72.01717	1.5
72.99306	13.6
83.88016	0.7
85.86066	0.7
87.00867	1.7
89.02439	7.4
111.81133	0.7
115.00367	100.0
116.00715	2.5
133.01431	27.7
134.01810	0.7
148.16110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.87717	4.3
55.01865	16.4
57.03446	59.9
59.01364	6.7
67.01886	100.0
68.99815	17.0
70.87450	8.5
71.01374	23.2
73.02941	11.5
78.07407	4.5
83.01357	15.5
85.02945	36.0
88.04028	11.0
93.72668	4.4
96.99326	5.8
99.00841	6.1
101.02411	10.2
129.01955	57.3
130.08710	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04889	0.4
55.01872	1.0
57.03450	4.5
59.01374	0.6
67.01885	10.1
68.99828	2.4
71.01386	1.5
71.02611	0.8
71.02949	0.6
72.99290	1.0
73.02934	1.2
83.01395	0.8
85.02942	2.2
87.00854	0.5
92.89775	0.5
101.02428	0.8
128.14156	0.5
129.01923	3.3
130.08730	100.0
145.80699	0.5
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	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
56.46027	16.2
65.78820	16.2
70.58707	35.7
85.02947	30.5
85.06599	15.5
94.71028	14.2
119.63827	15.2
129.01921	17.0
129.05573	100.0
130.08752	30.0
131.36879	14.4
131.52155	17.8
143.83849	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	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
70.98570	27.7
85.02944	27.4
85.06591	29.1
103.08736	12.3
128.90120	18.8
129.05566	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
69.39842	7.6
69.40247	2.7
93.03466	4.8
94.02981	5.4
108.02168	2.6
114.08280	1.3
121.02953	100.0
122.02482	7.5
122.03304	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	125.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.0
55.01865	4.4
56.18710	1.3
60.31014	1.4
67.01883	2.6
68.99821	1.7
69.03450	20.6
69.52277	3.8
69.52683	5.5
71.01383	1.8
79.01892	3.3
79.99036	2.2
80.99816	3.4
81.03455	7.3
83.01373	3.2
95.01389	2.9
96.99310	55.6
97.02947	22.1
98.02463	1.5
98.19933	3.4
107.01378	2.1
124.98102	0.9
124.98798	37.3
125.02439	100.0
125.06083	6.5
125.09653	1.9
125.99181	1.6
126.01938	2.6
126.02795	4.3
138.64117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
70.99761	11.7
71.00084	8.4
71.01381	10.9
72.81466	7.7
74.24420	7.0
78.70116	9.2
117.44405	7.4
126.90437	100.0
127.00378	36.5
127.04008	11.3
127.07638	98.3
128.03526	35.6
128.07156	67.9
139.32742	7.9
140.14711	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01894	0.5
56.15509	0.5
69.19527	0.5
70.77061	0.5
70.77406	0.9
73.02943	100.0
74.03273	2.4
99.00878	8.7
117.01940	17.5
121.83075	0.4
136.71071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44320	0.3
59.12014	0.4
66.14131	0.4
70.88883	0.8
73.02943	100.0
74.03297	2.6
81.41955	0.4
99.00871	8.4
99.01465	0.7
116.92877	0.6
117.01935	17.8
118.02239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01372	4.1
63.68587	1.0
69.72340	3.2
69.72755	2.9
71.01379	3.6
72.99308	1.1
73.02911	1.4
75.00908	1.1
91.05530	2.1
92.11705	1.1
96.24908	1.4
101.03960	26.6
102.04293	1.8
111.31650	1.5
117.03461	14.4
118.92696	3.1
118.93417	1.7
119.05025	100.0
120.05360	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	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.56435	1.0
58.60512	1.1
71.24271	2.0
91.05539	2.5
95.87187	1.1
101.03966	29.6
108.82166	1.1
117.03462	14.4
119.05024	100.0
120.05343	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	1197.5906
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	2.6
83.92533	0.2
84.02175	0.2
85.02947	11.4
86.00109	1.7
87.00871	5.8
87.66185	0.3
89.02443	4.1
90.49724	0.2
93.03429	0.2
95.01395	2.8
96.95994	0.2
97.02950	3.9
99.00881	2.2
101.02438	14.7
102.02793	0.3
109.02907	0.2
111.00873	0.8
111.34315	0.2
112.01643	0.6
113.02448	14.6
115.00380	1.1
119.03513	1.1
119.05008	0.2
124.01598	0.2
125.02431	3.0
129.01923	0.6
129.09216	0.5
131.03503	0.7
134.03751	0.3
134.54453	0.2
135.04533	0.7
139.04037	0.3
141.01938	0.2
143.03491	3.8
149.04587	0.6
150.03020	0.2
159.03014	1.1
161.04555	6.3
162.04765	0.3
178.02766	0.2
179.03496	0.5
179.05623	0.3
191.05511	0.2
209.11813	0.3
221.06593	0.7
229.21828	0.2
245.06712	0.2
249.94644	0.3
275.09238	0.4
296.10931	0.2
325.99280	0.2
514.10620	0.2
579.38983	13.8
580.39221	2.1
733.09930	0.2
741.44391	3.3
742.44659	0.5
787.37811	0.2
837.46484	0.9
849.45892	0.3
903.49957	1.8
904.50653	0.3
976.56055	0.2
1035.53772	8.4
1036.53662	1.5
1065.54895	13.2
1066.55066	2.0
1153.57886	0.3
1197.59058	100.0
1198.59277	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	0.2
85.02954	0.3
87.00861	0.3
89.02453	0.8
89.03965	1.3
93.03454	1.5
95.05020	4.2
97.02938	0.2
98.19894	0.4
101.02450	1.4
104.02689	0.3
105.03455	16.5
106.04332	0.7
108.02145	0.2
109.02939	1.5
111.00884	0.4
113.02460	0.7
115.00367	8.0
118.70093	0.1
119.03533	0.4
121.02940	2.0
123.04510	2.1
125.02426	0.6
132.02173	1.6
133.02950	100.0
134.03772	12.4
135.03035	0.2
135.04526	6.1
137.02437	7.4
138.02811	0.2
139.04002	2.3
143.03433	0.2
147.04567	0.2
149.02451	0.9
150.03233	0.7
151.04005	0.5
158.03758	0.2
159.04477	0.7
161.02480	0.2
161.04565	0.5
161.06003	0.2
164.97278	0.2
165.01982	0.3
172.05254	0.3
173.06055	0.2
176.04778	0.2
177.01915	59.8
178.02690	14.4
179.03477	11.5
179.05554	0.2
180.03755	0.3
183.13861	0.4
187.03944	1.2
187.07681	0.3
188.04819	0.7
193.12180	0.2
197.06102	0.3
198.06796	0.3
201.05548	0.2
202.06364	0.7
207.13882	0.3
211.13373	6.4
212.13593	0.4
220.38919	0.1
221.06749	0.3
229.14050	0.2
235.08180	0.3
235.13435	0.3
257.15536	0.3
277.21704	4.1
278.21921	0.3
283.13388	1.3
287.07632	0.2
299.16528	0.7
301.14468	0.5
309.14911	2.7
317.17242	0.2
323.09753	0.2
327.15973	7.3
328.16275	0.3
345.17050	0.8
379.12433	1.5
397.13431	2.6
398.13937	0.2
407.33777	0.2
415.14471	0.5
591.26520	2.8
592.27228	0.2
609.27649	1.4
657.35211	1.6
675.35895	1.3
676.35248	0.2
725.29871	0.5
743.31525	1.4
869.48920	6.4
870.49500	1.3
959.51093	0.2
985.51587	4.3
986.51758	0.8
1003.52618	28.6
1004.52875	5.3
1029.50623	0.4
1047.51587	45.7
1048.51855	11.0
1077.80420	0.2
1163.53137	0.4
1164.53027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
57.03436	3.8
58.80559	0.6
61.22149	0.6
65.78944	0.7
68.99567	100.0
69.03437	0.6
69.13914	2.4
69.14339	4.2
69.60458	0.7
69.99895	0.9
75.48000	0.6
84.02146	1.3
85.02938	7.9
85.46101	0.6
85.88907	0.7
112.98550	2.7
113.02428	2.3
113.06079	24.6
114.05627	3.3
114.06335	0.6
115.44296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
57.03440	10.5
58.76588	0.7
63.06443	0.6
67.01868	0.7
68.99566	100.0
69.03445	2.9
69.61050	4.4
69.99878	0.9
71.01378	2.7
83.01363	1.8
84.02154	3.5
85.02943	29.0
86.02470	0.8
86.03346	1.0
95.01370	0.9
112.98559	2.8
113.02427	12.5
114.02019	0.9
114.05589	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	113.0609
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
55.01867	2.6
57.03205	1.3
57.03446	15.2
65.67818	1.2
67.01858	1.3
68.99567	100.0
69.03439	3.9
70.59295	2.7
71.01379	1.6
77.04362	1.0
83.01383	1.6
84.02153	5.0
85.02945	41.7
86.03248	1.3
112.98579	3.5
113.02453	15.2
113.06086	13.6
114.05608	12.6
114.86552	1.3
124.78239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.2
83.01328	0.2
83.05022	0.5
85.02953	0.4
87.00858	0.4
89.02438	1.5
89.03958	1.3
93.03444	1.4
93.65142	0.2
95.05019	4.6
96.96010	0.3
97.02959	0.4
99.00852	0.2
101.02430	1.9
104.02644	0.3
105.03453	18.7
106.04324	0.9
108.02176	0.2
109.02940	2.0
111.00868	0.4
113.02444	0.7
115.00364	10.2
119.03521	0.5
121.02953	2.1
123.04517	1.9
125.02446	0.6
132.02170	1.7
133.01349	2.6
133.02948	100.0
134.03764	13.4
135.04530	6.1
137.02434	8.0
138.02826	0.2
139.04010	2.7
143.03508	0.2
146.03772	0.2
149.02409	0.9
150.03229	1.0
151.03984	0.7
158.03749	0.2
159.04535	1.0
161.02458	0.2
161.04636	0.2
161.05946	0.4
163.11258	0.5
165.01900	0.2
165.12862	0.2
172.05209	0.4
173.06047	0.3
174.03206	0.3
177.01915	41.1
178.02687	15.6
178.04984	0.3
179.03479	9.9
179.05460	0.4
180.03848	0.3
183.13869	0.3
185.06042	0.2
187.03946	1.2
187.07654	0.3
188.04788	0.7
197.06024	0.4
198.06960	0.2
201.18719	0.2
202.06342	0.5
207.13893	0.3
209.11807	9.5
210.12146	0.3
211.13376	6.3
212.13791	0.2
221.06624	0.4
227.12796	1.1
235.08226	0.4
235.13449	0.3
239.68973	0.2
243.13857	0.3
257.15341	0.3
261.41769	0.2
281.15512	0.2
283.13412	1.4
299.16422	0.8
301.14380	0.6
305.08755	0.2
309.14951	2.8
327.15973	8.2
328.16321	0.6
345.17007	1.4
379.12268	1.0
397.13464	2.0
415.14478	0.6
468.23865	0.2
472.89590	0.2
589.24829	1.7
591.26428	2.4
592.27448	0.2
600.59131	0.2
607.26196	1.7
609.27820	1.7
610.27216	0.2
725.30530	0.3
743.31238	1.3
744.31958	0.2
783.38031	0.8
801.39099	6.9
802.39386	1.0
819.40051	2.4
820.40277	0.3
837.39044	0.2
935.42694	4.0
936.43011	0.4
953.43774	26.5
954.43848	4.4
979.41650	0.3
985.46490	1.1
986.46002	0.3
997.42731	44.3
998.43030	8.6
1029.45398	30.3
1030.45715	6.2
1145.46362	1.3
1146.46790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1126.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	2.8
84.09828	1.1
85.02939	7.4
87.00858	4.3
88.60283	1.2
88.98814	1.6
89.02444	8.6
94.82125	1.2
95.01373	2.5
97.02982	1.2
98.52032	1.1
99.00867	1.6
101.02441	12.0
102.02753	2.4
113.02449	9.4
114.02723	1.9
115.00344	1.8
119.03480	2.7
125.02444	2.9
133.01501	1.2
135.04524	1.8
143.03455	3.7
149.38625	1.1
161.04550	4.9
162.04819	1.3
179.05542	1.8
280.17496	1.1
357.22482	1.3
375.75641	1.2
577.37549	4.4
578.37872	7.0
579.37787	6.1
580.38330	2.5
674.39911	1.6
675.39679	2.7
709.40021	1.3
901.47559	5.0
902.48395	3.0
903.48682	8.9
904.48920	8.0
1063.53076	22.1
1064.53589	6.8
1065.53711	21.4
1066.54016	62.1
1067.55469	2.8
1126.52698	100.0
1127.53186	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	1126.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
80.10983	0.6
83.01352	2.1
85.02953	7.5
86.00093	0.9
86.03275	0.7
87.00856	3.7
88.98776	2.1
89.02439	6.9
90.02767	0.9
91.02870	0.5
93.42887	0.5
95.01392	2.9
96.01720	0.5
97.02975	1.4
98.03215	0.7
98.19952	0.7
99.00858	1.5
101.02430	11.6
102.02764	1.7
103.02817	0.6
113.02433	10.8
114.02762	1.3
119.03503	2.6
125.02451	2.7
143.03474	3.5
161.04536	5.0
162.04898	1.3
163.04950	0.6
179.05594	2.0
232.12561	0.5
301.23227	0.5
328.29166	0.6
426.29053	0.6
577.37372	5.6
578.37628	7.6
579.38153	5.8
580.38245	3.3
581.91650	0.7
673.40216	1.2
674.40015	1.9
675.40454	1.1
676.40094	1.3
706.41479	0.7
901.48053	4.1
902.47906	4.7
903.48749	8.0
904.48999	10.2
1063.53125	21.2
1064.53833	7.8
1065.53809	18.3
1066.54089	64.1
1067.54028	4.0
1126.52734	100.0
1127.53174	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	1128.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	4.9
85.02943	16.4
86.03304	2.4
87.00879	9.0
89.02433	10.5
95.01373	4.0
97.02948	6.0
99.00871	2.9
101.02427	21.5
102.02781	3.0
103.02942	2.0
105.03448	2.7
105.74135	2.0
109.02942	1.9
113.02454	22.5
114.02782	3.6
115.00352	6.0
125.02428	4.0
131.03508	2.8
133.01408	8.4
133.02953	17.7
134.03676	2.9
135.04523	3.5
137.02412	2.6
141.43782	1.6
143.03490	7.6
161.04594	8.2
161.59364	1.5
162.04906	1.7
177.01933	8.9
178.02690	3.8
179.03467	6.4
198.82164	1.6
211.13310	2.2
289.49142	1.8
327.16043	2.4
349.41327	1.8
609.40198	8.5
610.40546	12.5
611.39941	8.9
612.41144	6.5
642.91309	2.0
706.42310	4.7
707.42719	4.4
773.45923	1.7
818.91144	2.3
882.43793	2.1
903.50000	4.5
904.50067	7.7
905.49872	20.9
906.50275	19.2
933.50342	4.0
934.51422	4.8
935.51788	10.9
936.51630	12.4
951.42596	3.6
994.43390	3.4
995.41345	3.7
1012.45013	1.9
1013.43304	2.3
1065.54041	16.2
1066.54443	10.9
1067.55371	41.1
1067.76709	3.3
1068.31836	2.5
1068.55603	96.5
1069.55969	5.1
1128.54187	100.0
1129.54688	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	1125.569
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	0.9
83.01379	3.0
84.02166	0.4
85.02946	13.1
86.00105	1.1
87.00867	6.3
89.02438	6.2
93.03448	0.6
95.01385	3.7
96.96004	0.2
97.02939	4.2
99.00879	2.7
99.04517	0.5
100.01196	0.2
101.02435	16.8
110.30619	0.2
111.00856	0.5
112.01642	0.5
113.02444	18.8
114.02822	0.3
115.00379	0.8
115.03991	0.5
119.03478	1.1
124.01646	0.4
125.02438	5.2
129.15007	0.2
131.03473	1.4
133.01442	0.9
133.02937	0.8
134.03705	0.4
135.04524	0.7
137.02420	0.3
143.03488	6.9
144.03819	0.2
149.04539	0.7
159.02985	0.5
161.04543	7.8
161.05885	0.4
177.01932	0.3
178.02641	0.4
179.03421	0.6
179.05583	0.4
191.05573	0.4
198.99832	0.2
212.33598	0.2
221.06654	0.6
245.06763	0.5
275.07712	0.3
305.08633	0.4
327.15952	0.3
330.21545	0.2
341.63959	0.2
455.14047	0.5
476.07071	0.3
489.35446	0.4
517.35474	0.5
518.59503	0.2
543.36676	0.3
609.40033	21.8
610.40552	2.7
689.42310	0.3
705.42053	6.9
706.42383	0.9
717.41669	1.3
729.67188	0.3
735.43262	0.8
753.44434	0.5
771.45081	2.4
772.45447	0.3
835.37286	0.4
903.49506	23.8
904.49939	3.1
933.50513	17.4
934.51190	2.2
978.00134	0.3
1065.54736	100.0
1066.55017	17.8
1126.50049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1126.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	2.4
85.02947	12.3
86.03266	1.6
87.00883	9.6
89.02438	19.8
91.02848	1.6
95.01371	4.7
97.02921	4.3
99.00848	1.9
101.02442	19.8
102.02764	2.2
113.02443	17.5
114.02753	3.2
115.00331	3.8
118.82253	1.3
119.03477	4.5
122.19901	1.2
125.02410	4.9
128.46739	1.5
133.01390	4.4
133.02951	4.1
135.04539	1.8
137.02438	2.3
139.05193	1.3
140.40662	1.5
143.03503	4.7
143.29366	1.2
161.04514	3.7
161.05798	1.4
178.02654	2.6
179.03423	2.8
299.96228	1.4
373.93100	1.6
419.82828	1.5
607.38586	3.2
608.39246	2.4
609.39752	6.3
610.40076	2.9
703.39832	1.9
704.41504	3.1
705.40778	2.7
706.41840	2.2
771.44354	1.3
901.48022	4.0
902.48328	7.0
903.48688	19.3
904.48907	16.9
908.30573	1.4
931.49652	2.2
932.49445	2.4
933.49481	11.7
934.49951	12.2
1063.53760	14.9
1064.55151	7.3
1065.53870	30.5
1066.54236	100.0
1067.55493	6.4
1126.52795	73.3
1127.52905	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	1123.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.6
83.01382	2.9
84.02152	0.2
85.02944	10.4
86.00110	0.7
87.00870	5.7
88.98799	3.1
89.02441	9.2
91.75351	0.2
93.03431	0.3
95.01379	3.9
96.08492	0.1
97.02950	3.2
99.00878	1.7
99.04499	0.2
101.02436	18.2
102.02734	0.3
111.00821	0.3
111.04520	0.2
112.01630	0.5
113.02444	15.6
114.02792	0.3
115.03993	0.3
119.03500	3.3
123.04517	0.1
124.01576	0.2
125.02442	3.8
126.88709	0.1
129.01875	0.2
131.03474	0.7
133.01454	0.3
135.04497	0.5
139.04008	0.2
143.03493	4.7
145.36880	0.1
149.04512	0.3
153.05540	0.4
159.02968	0.4
161.04541	7.5
165.05440	0.2
175.41039	0.1
178.02522	0.1
179.05608	3.3
181.04967	0.2
209.11879	0.1
221.06628	0.6
275.07568	0.9
305.08762	0.5
457.33105	0.4
485.14798	0.4
485.32233	0.3
511.34467	0.2
577.37390	22.5
578.37726	2.3
673.39496	6.1
674.40118	0.6
685.39417	1.1
703.40857	0.7
721.41742	0.9
739.42548	1.4
740.43396	0.3
883.47473	0.3
901.47943	22.5
902.48126	3.1
1033.51892	0.2
1063.53235	100.0
1064.53540	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	1125.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01879	0.2
81.03425	0.9
83.01381	3.7
84.02145	0.3
85.02943	12.6
86.00095	1.1
86.03243	0.4
87.00868	6.3
89.02438	7.9
89.90122	0.2
95.01375	4.2
97.02351	0.3
97.02939	4.0
97.78461	0.2
98.20012	0.3
99.00864	1.9
99.04492	0.4
101.02435	17.2
111.00827	0.4
112.01615	0.5
113.02440	17.2
114.02689	0.3
115.00320	0.3
115.03960	0.8
119.03496	1.4
124.01665	0.3
125.02431	5.3
129.01913	0.3
131.03497	1.5
133.01387	0.5
133.02902	0.4
135.04469	0.2
137.02414	0.2
143.03488	7.2
144.03732	0.3
149.04501	0.6
153.05516	0.3
159.02937	0.3
161.04538	8.5
161.05884	0.5
179.05544	0.5
181.04962	0.2
181.38570	0.2
181.57768	0.2
221.06569	0.9
245.06635	0.4
275.07675	0.6
293.08679	0.3
305.08594	0.4
390.70172	0.2
455.13934	0.5
517.35107	0.5
555.16193	0.2
609.39984	21.1
610.40356	2.4
658.23254	0.2
689.42261	0.2
704.41492	0.2
705.42139	7.0
706.42316	1.0
717.41876	1.4
735.43146	0.9
752.23718	0.2
753.43860	0.9
771.45172	2.8
901.48407	0.3
902.48102	0.7
903.49457	27.1
904.49713	4.4
915.48810	0.3
932.49951	0.5
933.50519	18.6
934.50696	3.2
1064.54651	0.9
1065.54639	100.0
1066.55005	17.8
1126.52356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	2.8
80.96510	1.0
81.31226	0.0
83.01384	0.3
85.02937	0.5
87.00869	0.1
95.95193	0.2
96.96004	48.2
97.02922	0.1
97.95940	0.1
98.52128	0.1
99.00903	0.1
99.08152	0.1
101.02431	0.8
113.02467	0.2
122.97581	0.6
125.02314	0.1
133.01399	0.1
138.97057	1.0
143.03470	0.1
150.97067	0.8
152.98643	0.1
164.98643	0.4
179.03540	0.1
180.98122	0.6
198.99146	0.3
222.99052	0.1
241.00209	2.4
271.02411	0.1
299.01791	0.1
314.04208	0.1
325.09534	0.1
343.10629	100.0
344.10947	4.1
441.91977	0.1
540.07019	0.1
771.20044	0.2
928.54199	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	0.7
83.01382	2.0
85.02946	8.8
86.00076	0.4
87.00871	4.8
88.98802	6.6
89.02439	19.7
95.01379	3.7
97.02934	1.9
99.00868	0.9
101.02435	16.7
113.02444	14.7
113.09820	0.3
114.02696	0.5
119.03489	6.5
125.02444	3.2
131.03490	1.4
133.01398	0.7
135.04503	0.3
143.03494	4.2
149.04486	0.5
153.21356	0.3
159.02869	0.4
161.04544	4.0
165.21187	0.3
179.05585	4.2
221.06631	0.8
257.84689	0.3
275.07690	0.7
291.19675	0.6
299.47598	0.3
461.99911	0.3
465.01437	0.4
485.14917	0.5
575.35736	5.7
576.36194	0.9
640.17926	0.3
640.28650	0.3
671.37921	7.1
672.38190	1.2
683.37988	1.4
719.40234	0.8
737.41168	1.3
871.46710	0.5
899.46429	24.5
900.46619	4.3
933.65839	0.4
1031.51794	0.5
1033.52136	0.7
1061.51636	100.0
1062.51965	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	1123.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03364	0.8
82.72602	0.3
83.01382	2.6
84.02125	0.2
85.02946	10.7
85.03407	0.5
85.59167	0.2
87.00875	5.7
89.02439	17.4
89.03210	0.6
95.01383	4.1
97.02949	3.2
99.00880	1.2
99.04444	0.4
101.02439	15.7
101.03073	0.8
107.01319	0.2
109.02885	0.2
111.00729	0.2
111.04411	0.3
112.01581	0.3
113.02445	17.2
113.03165	0.8
113.03544	0.6
115.00243	0.2
115.03965	0.4
119.03494	4.6
125.02439	4.4
127.03944	0.3
129.01831	0.2
129.51660	0.2
131.03487	1.7
133.01414	0.3
133.02885	0.3
135.04427	0.3
137.02342	0.3
143.03494	5.9
144.03705	0.2
144.11343	0.2
149.04561	1.0
149.05496	0.2
151.18005	0.2
153.05476	0.4
159.02841	0.3
161.04524	3.0
164.54987	0.2
179.03316	0.3
179.05583	1.3
209.11632	0.2
221.06624	1.2
245.06575	0.3
252.36790	0.2
275.07666	0.3
293.08447	0.2
305.08591	0.4
313.33768	0.2
371.02167	0.2
423.10883	0.2
447.95877	0.2
455.13739	0.6
464.47308	0.2
481.04172	0.2
491.49442	0.2
607.38519	6.2
608.38562	0.7
703.40613	7.2
704.41089	0.9
715.40613	1.5
733.41949	0.7
751.42859	1.0
769.43591	2.3
770.43811	0.3
901.47925	25.1
902.48523	3.1
913.49347	0.4
931.49005	21.2
932.49390	2.9
1018.71680	0.2
1057.53320	0.3
1063.53259	100.0
1064.53589	16.0
1123.05981	0.2
1123.54883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.538
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.8
83.01379	2.6
85.02948	12.1
86.00092	1.0
87.00873	5.5
89.01940	0.7
89.02443	6.8
95.01382	4.3
96.96007	1.0
97.02937	4.7
99.00876	1.4
99.04523	0.5
101.02438	15.4
111.00905	0.5
112.01642	0.6
113.02444	16.4
115.00363	1.2
119.03482	1.3
125.02457	4.1
131.03484	1.3
133.01462	1.7
134.03691	0.7
135.04498	0.8
136.01706	0.5
143.03484	6.0
145.78857	0.3
149.04529	0.5
150.03156	0.4
151.04018	0.6
159.02994	0.3
161.04553	7.1
179.03474	0.8
179.05675	0.8
181.05005	0.6
184.11017	0.3
185.32155	0.4
221.06619	0.8
245.06616	0.6
275.09344	0.6
299.01907	0.7
305.08813	0.5
314.04245	0.5
431.31506	2.4
455.13681	0.4
477.18130	0.6
575.35699	1.9
593.36853	23.1
594.37305	2.6
609.14648	1.1
689.39081	6.4
690.39612	0.7
701.39032	1.1
719.40479	0.4
755.42157	3.5
759.31604	0.4
884.58990	0.5
887.46436	25.1
888.46844	3.4
917.47455	23.3
918.48096	3.2
970.55029	0.4
1049.51648	100.0
1050.51831	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	1109.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	1.1
83.01378	3.6
84.02197	0.3
85.02944	12.8
86.00071	1.0
87.00867	6.7
87.04533	0.3
89.02435	6.2
93.03470	0.3
94.56548	0.2
95.01382	4.0
97.02348	0.5
97.02941	5.4
99.00864	2.2
101.02435	19.6
107.05003	0.3
111.00850	0.8
111.04550	0.3
112.01646	0.5
113.02444	19.0
115.03986	1.0
119.03506	1.5
125.02436	5.1
131.03471	1.2
133.01407	0.4
135.04506	0.5
143.02451	0.4
143.03491	6.9
149.04492	0.6
161.04532	9.1
179.05609	0.4
221.06592	0.8
261.63858	0.2
275.07623	0.3
292.12433	0.3
305.08768	0.3
316.41119	0.3
383.29697	1.6
413.30652	1.2
440.35837	0.2
455.13992	0.3
483.31485	0.3
501.31961	0.4
505.32193	0.4
517.31708	0.5
527.33881	0.3
545.34735	2.0
557.34741	0.3
575.35889	9.8
576.35809	0.9
593.36902	15.9
594.36914	1.6
689.39050	8.0
690.39172	0.9
701.38666	1.4
755.42035	3.2
756.43097	0.3
759.76813	0.3
887.46381	30.2
888.46387	3.8
917.47461	25.1
918.47711	3.7
1049.51611	100.0
1050.51965	15.3
1070.75586	0.3
1134.84521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	1.0
83.01379	3.2
84.02153	0.3
85.02946	12.8
86.00087	1.1
87.00871	5.5
89.02440	7.5
95.01373	4.6
96.96011	0.3
97.02954	4.6
99.00874	2.3
101.02435	16.7
109.02952	0.4
111.00855	0.6
112.01663	0.6
113.02444	17.9
114.02775	0.3
115.00352	0.6
115.03970	0.7
119.03481	1.4
124.01625	0.3
125.02441	4.5
131.03459	1.0
133.01405	1.0
134.03719	1.5
135.04478	0.8
143.03491	6.2
149.04529	0.6
161.03278	0.4
161.04553	8.7
178.02580	0.3
179.03268	0.3
179.05580	0.6
191.05457	0.3
221.06569	1.1
234.94141	0.3
236.87648	0.3
239.77129	0.2
245.06674	0.4
275.09256	0.5
305.08606	0.3
307.11810	0.5
391.00775	0.3
433.33316	1.9
455.14096	0.4
463.60263	0.3
503.33578	0.6
529.34619	0.3
583.31091	0.9
595.38464	27.0
596.38782	2.3
601.32147	1.0
643.33344	1.0
691.40558	6.0
692.41565	0.6
703.40344	1.0
757.43701	2.4
889.47955	22.4
890.48035	2.7
919.49103	22.4
920.49609	3.1
1051.53223	100.0
1052.53467	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	1107.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
77.71817	0.4
80.96504	0.9
81.03431	1.0
83.01390	2.9
85.02949	10.6
86.00063	1.3
87.00879	5.7
87.82990	0.4
89.02440	5.6
95.01399	3.9
97.02945	4.2
99.00867	1.1
99.04525	0.5
101.02435	14.8
112.01678	0.4
113.02451	16.4
119.03499	1.0
125.02435	4.3
131.03476	1.2
133.01443	0.8
137.17271	0.4
143.03488	6.0
156.92123	0.4
161.04547	8.3
179.05592	0.7
183.01230	0.6
209.11732	2.1
221.06613	0.8
223.62534	0.4
245.06557	0.4
277.21695	1.5
293.08786	0.6
297.15173	1.1
397.13391	1.1
404.68597	0.4
499.34702	0.5
591.38983	24.0
592.39423	3.0
654.06842	0.5
687.41101	7.1
688.41675	0.8
699.40698	0.9
717.42480	0.5
735.43445	0.6
751.12354	0.4
753.44257	2.3
754.44318	0.6
756.65472	0.5
885.48492	24.8
886.49036	3.5
915.49579	17.7
915.68573	0.8
916.50244	2.4
1047.53784	100.0
1048.54175	16.3
1107.53137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	1.0
85.02958	2.9
86.03333	0.5
87.00880	1.2
89.02442	1.7
95.01386	1.0
97.02956	1.0
98.19956	0.6
101.02438	2.9
113.01762	0.6
113.02418	4.1
114.02760	0.7
114.68431	0.6
125.02441	1.0
143.03494	2.1
161.04526	1.9
316.20831	0.6
559.54059	0.7
577.37640	3.1
578.37732	2.7
579.38202	2.0
580.38116	0.7
641.69781	0.6
675.39496	0.8
739.41962	0.6
871.47479	2.4
872.47546	1.2
873.46564	2.7
874.47778	1.7
901.47998	1.8
903.48859	1.4
904.48193	1.1
1033.52356	15.0
1034.52319	3.2
1035.53162	4.2
1036.53198	14.0
1037.54822	0.9
1096.51721	100.0
1097.51953	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	1096.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02975	2.8
87.00855	0.9
89.02422	0.7
95.01422	0.5
97.02949	0.8
101.02437	2.8
113.02444	3.8
125.02444	0.6
131.03517	0.4
143.03499	1.2
146.37248	0.4
161.04552	1.0
577.37268	2.6
578.37573	2.3
579.38147	1.3
580.38641	0.9
871.46912	2.7
872.48022	1.0
873.47424	1.3
874.47961	1.4
901.47705	1.4
902.47906	0.6
903.49579	1.0
904.49335	1.3
1033.52063	15.2
1034.52539	3.7
1035.53223	5.5
1036.53088	13.7
1037.54248	1.2
1096.51733	100.0
1097.51965	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	1099.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04269	0.5
79.95722	0.6
80.96521	0.6
83.01402	2.6
85.02950	13.3
85.03468	0.9
85.70950	0.5
86.00053	1.2
87.00871	6.9
89.02447	12.2
95.01389	6.8
96.96001	0.6
97.02947	2.9
99.00874	2.5
101.02443	20.6
112.01635	0.5
113.02447	20.6
115.00371	1.1
119.03503	4.3
125.02432	4.8
131.03453	0.7
133.01427	0.7
135.04478	0.6
143.03505	6.4
152.59819	0.5
161.04553	10.1
174.09471	0.6
179.05569	2.4
221.06712	0.9
243.99840	0.6
262.62589	0.7
301.17474	0.6
485.32452	0.7
541.40649	0.6
548.25751	0.5
577.37457	26.6
578.37799	3.3
673.39288	7.2
674.39825	0.7
685.38983	1.2
721.41577	1.3
739.42725	1.7
901.48029	21.2
902.48413	3.4
1063.53296	100.0
1064.53345	20.1
1064.76416	1.1
1099.50916	86.3
1100.51270	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	1096.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	2.0
85.02960	5.7
87.00860	2.6
89.02469	3.7
89.02950	0.8
95.01382	1.7
97.02950	1.9
98.03226	0.8
99.00906	0.8
101.02441	6.3
102.02758	0.8
113.02444	8.3
114.02796	0.8
125.02433	2.0
128.92076	0.7
143.03470	3.2
161.04527	3.3
293.09732	0.7
577.37463	4.0
578.37817	6.3
579.37854	5.8
580.38458	2.4
673.40399	1.1
675.40314	1.2
676.40521	1.0
741.43976	0.8
743.05646	0.9
871.46698	3.0
872.47333	3.2
873.47284	6.4
874.47784	6.4
901.48383	1.9
902.48938	2.2
903.48297	2.5
904.49023	6.3
1033.52026	15.8
1034.52136	4.9
1035.53076	12.1
1036.53125	43.0
1037.53711	2.9
1096.51733	100.0
1097.51929	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	1094.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	1.0
82.79582	0.7
83.01394	2.3
85.02942	6.0
86.03252	0.9
87.00877	4.0
89.02438	9.1
95.01387	3.1
97.02919	2.2
99.00822	0.8
101.02442	9.7
102.02752	1.0
113.02456	10.9
114.02786	0.9
119.03474	2.3
125.02426	2.3
131.03471	1.0
143.03479	4.9
161.04546	2.3
179.22353	0.8
206.82004	0.8
221.06551	0.8
257.40323	0.8
348.81870	0.8
575.35614	1.0
577.36963	3.2
578.37738	4.3
671.37939	1.2
672.38129	0.9
673.38843	1.4
674.39508	2.1
739.43420	0.8
869.45227	2.4
870.45911	2.2
871.46539	6.0
872.46771	9.0
899.46368	2.3
900.45728	1.6
901.47369	5.5
902.47815	8.0
1031.50549	18.7
1032.49683	4.8
1033.51392	14.5
1034.51843	54.3
1035.51843	3.8
1094.50134	100.0
1095.50574	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	1093.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	0.9
83.01383	3.5
85.02945	13.2
86.00105	0.9
86.03263	0.2
87.00871	6.0
89.02441	6.9
95.01385	5.0
97.02945	4.5
99.00880	1.8
99.04498	0.3
101.02438	17.0
102.02790	0.3
109.02942	0.2
112.01678	0.4
113.02445	19.6
115.04013	0.9
119.03494	1.4
124.01672	0.2
125.02442	5.2
125.65706	0.2
129.01881	0.3
131.03510	1.0
134.72972	0.2
135.04518	0.2
137.02409	0.2
139.04097	0.3
143.03487	7.4
149.04544	0.8
153.05574	0.2
159.02953	0.4
161.04544	8.4
179.05544	0.4
181.04996	0.3
195.06711	0.2
221.06593	1.2
245.06625	0.5
275.07773	0.4
278.25598	0.2
305.08832	0.2
359.86655	0.2
455.13797	0.4
457.33096	0.5
485.32819	0.6
511.34082	0.3
577.37415	30.4
578.37714	2.9
673.39490	5.6
674.39807	0.6
685.39581	0.9
686.39465	0.2
703.40320	0.5
721.41479	1.1
739.42841	2.5
788.51721	0.2
871.46869	22.3
872.47070	3.4
901.47949	19.2
902.48450	2.3
918.10620	0.2
1033.52209	100.0
1034.52380	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	1094.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
78.40627	0.8
83.01373	1.6
85.02946	11.0
86.03285	1.4
87.00865	5.0
89.02432	10.7
95.01372	4.7
97.02954	3.9
99.00864	1.1
101.02427	17.0
102.02794	1.2
113.02444	17.3
114.02776	2.7
119.03483	2.3
125.02442	4.2
126.02802	1.2
131.03535	1.0
133.02985	1.5
135.04573	1.5
143.03500	8.1
144.03827	1.3
161.04564	4.5
165.70732	0.9
191.05516	1.3
221.06525	1.7
260.30756	0.9
358.84012	0.9
375.94281	0.9
554.39435	0.8
575.35706	1.6
576.36353	1.9
577.37396	8.1
578.37610	10.1
671.37573	1.4
673.39038	2.2
674.39471	3.8
686.38757	1.1
739.41919	1.5
769.11450	1.0
869.45734	1.8
870.46356	2.4
871.46173	8.8
872.46753	16.7
899.46484	2.0
900.46362	2.4
901.47070	6.5
902.47894	14.1
1031.50708	13.7
1032.51636	4.8
1033.51831	13.2
1034.51990	100.0
1035.52148	8.1
1094.50183	73.8
1095.50757	14.7
1120.05212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01853	0.2
79.78815	0.1
81.03466	0.8
83.01376	2.2
85.02946	9.8
86.00089	0.7
87.00872	4.7
89.02439	5.0
90.14472	0.2
95.01382	3.6
97.02940	4.0
98.19891	0.5
99.00877	1.6
99.04528	0.2
101.02440	11.7
108.19359	0.2
111.00880	0.3
112.01642	0.4
113.02444	13.7
114.02753	0.2
115.03987	0.6
115.11342	0.2
119.03479	0.8
121.58383	0.1
122.27988	0.1
125.02436	4.0
129.01950	0.2
131.03467	1.1
135.04535	0.2
143.03488	5.7
149.04510	0.6
159.02972	0.3
161.04536	6.5
179.05565	0.3
181.04993	0.2
221.06601	0.8
229.88669	0.2
245.06618	0.4
270.26889	0.2
275.07870	0.2
305.08746	0.5
367.78574	0.2
385.83023	0.2
455.13831	0.5
457.33408	0.3
485.33008	0.3
509.44559	0.2
511.34375	0.3
562.15955	0.2
577.37402	22.4
578.37708	2.2
657.40161	0.2
673.39496	6.1
674.39832	0.7
685.39569	1.7
703.40466	0.6
721.41522	0.9
735.31464	0.2
739.42828	2.1
740.43427	0.2
871.46838	23.8
872.47363	3.3
899.72040	0.2
901.47931	17.0
902.48450	2.4
911.13257	0.2
1033.52197	100.0
1034.52441	18.0
1041.60022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	1.1
83.01003	0.2
83.01386	2.2
83.05009	0.2
85.02948	11.2
87.00869	5.5
87.42805	0.2
89.02441	16.0
90.23678	0.2
95.01382	4.1
97.02944	3.4
99.00875	1.4
99.04512	0.3
101.02435	14.6
107.01331	0.2
109.02917	0.3
110.74989	0.2
111.00855	0.3
111.04485	0.2
113.02444	17.2
115.04025	0.5
119.03501	4.4
125.02443	4.4
127.00514	0.2
131.03493	1.7
135.04486	0.3
139.04022	0.3
143.03491	6.2
149.04530	1.0
153.05495	0.3
159.02931	0.4
161.04564	3.4
165.32901	0.2
179.05608	1.1
221.06644	1.3
245.06606	0.5
275.07672	0.5
302.43106	0.2
305.08728	0.3
388.67239	0.2
455.14008	0.6
575.35870	7.7
576.35974	0.9
600.13690	0.2
632.64276	0.2
671.37988	7.2
671.49347	0.4
672.38251	0.5
683.37830	1.4
701.39026	0.8
719.39886	1.0
737.41022	2.3
869.45282	24.3
870.45453	3.4
881.45380	0.3
899.46417	21.6
900.46527	3.1
1031.50635	100.0
1032.50842	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	1093.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.9
83.01379	3.4
84.02162	0.4
85.02946	12.1
86.00085	1.4
87.00874	5.3
89.02440	5.2
92.43338	0.2
95.00755	0.2
95.01379	3.8
97.02946	4.3
99.00861	1.9
99.04479	0.3
101.02437	14.9
111.00865	0.3
111.04517	0.4
112.01669	0.6
113.02442	15.2
114.02757	0.2
115.04016	0.5
116.71106	0.2
119.03516	1.0
123.00859	0.2
123.04485	0.2
124.01587	0.2
125.02442	4.7
131.03487	1.3
135.04536	0.3
137.06079	0.3
143.03487	5.4
149.04538	0.5
153.05560	0.4
159.02943	0.5
161.04538	7.3
179.05586	0.3
221.06593	0.9
241.90904	0.2
245.06578	0.4
266.81448	0.2
267.65921	0.2
275.07822	0.3
305.08862	0.5
366.24460	0.2
401.37659	0.2
413.30481	0.2
455.14279	0.4
457.33087	0.2
479.93750	0.2
485.32599	0.5
511.34122	0.3
577.37402	23.9
578.37799	2.4
673.39471	5.8
673.50995	0.3
674.39886	0.6
685.39075	1.1
686.40131	0.2
703.40851	0.6
721.41339	0.8
739.42468	2.2
740.42865	0.2
871.46875	22.4
872.47241	3.3
872.62567	0.3
883.46240	0.3
901.47980	16.4
902.48206	2.5
1033.52185	100.0
1034.52368	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	1083.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95729	2.8
80.96511	1.0
80.96963	0.1
83.01386	0.1
85.02925	0.3
87.00880	0.1
89.02436	0.3
94.98063	0.1
95.01371	0.1
95.94659	0.0
95.95219	0.8
95.95789	0.1
96.96003	46.6
97.95955	0.1
99.00889	0.1
101.02431	0.7
113.02449	0.3
119.03495	0.1
122.97575	0.7
138.97061	0.9
143.03506	0.1
150.97057	1.0
152.98616	0.2
164.98653	0.4
167.00130	0.1
168.98154	0.1
180.98116	0.7
182.99704	0.0
198.99190	0.3
222.99127	0.1
225.00742	0.3
241.00206	2.4
255.02991	0.1
271.02234	0.1
300.02667	0.1
312.84430	0.1
341.09061	100.0
342.09369	3.5
438.48880	0.1
625.14197	0.2
741.19794	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	1083.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	6.0
80.96512	1.9
83.01365	0.2
85.02933	0.4
87.00864	0.5
89.02484	0.1
94.67026	0.1
94.98062	0.1
95.01342	0.1
95.95232	1.3
96.96005	100.0
97.02924	0.1
97.95909	0.2
99.00869	0.3
101.02422	0.5
110.97571	0.7
113.02449	0.4
122.97570	0.6
125.02434	0.1
133.01443	0.1
135.14922	0.1
138.97064	5.9
141.95804	0.1
143.03487	0.3
148.05260	0.7
150.97064	1.1
152.98631	0.2
161.04552	0.1
162.06882	0.1
163.07675	0.3
163.86163	0.1
164.98637	0.7
168.98128	0.8
180.98103	0.8
182.99748	0.1
198.99149	0.2
205.08699	0.2
209.04059	0.1
213.00735	0.2
217.08890	0.1
219.50771	0.1
222.99150	1.3
225.00723	0.5
235.09808	0.2
241.00212	22.6
242.00560	0.5
253.87375	0.1
314.04483	0.1
319.17569	0.1
335.12238	0.1
361.18381	0.1
405.08548	92.8
406.08893	4.4
639.15906	0.2
677.49854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
75.99179	0.1
76.24688	0.1
78.66215	0.1
96.95965	0.2
113.09676	0.1
115.00364	9.6
126.27195	0.1
133.01434	0.6
133.02948	0.1
135.04539	0.1
135.08156	0.9
137.09714	6.2
138.09999	0.2
142.46005	0.1
155.10771	100.0
156.11084	2.2
181.08690	0.2
199.09740	96.2
200.10091	2.7
229.28702	0.2
231.10355	0.3
238.05446	0.1
255.02777	0.3
275.09164	0.6
283.02438	0.9
298.04892	0.6
299.05551	0.3
315.10831	31.0
316.11200	1.2
404.57022	0.1
555.58386	0.1
705.25800	0.1
723.74500	0.1
755.20392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	0.6
107.01389	1.2
108.02175	0.9
109.02978	0.3
115.00359	0.2
121.02941	0.7
122.29155	0.2
124.45025	0.2
135.00873	0.5
148.01653	0.9
151.00354	4.4
159.04550	0.3
163.00368	0.6
164.01163	0.4
178.99855	3.3
183.04556	0.3
192.00516	0.3
199.03970	0.4
200.04539	0.2
203.03703	0.2
211.04025	0.4
215.03464	0.3
216.04182	0.3
226.02705	0.8
227.03491	1.7
243.02957	6.1
243.05347	0.4
250.84088	0.2
254.02226	1.5
255.02969	17.8
256.03455	1.0
271.02454	39.0
272.03012	2.7
273.03848	0.5
299.02023	1.6
299.05130	0.3
300.02716	76.7
301.03384	12.0
302.04010	0.5
343.04578	0.8
348.58533	0.3
412.28610	0.2
611.75226	0.3
667.84418	0.2
723.17291	0.2
757.18256	100.0
758.18628	8.8
845.64844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
82.01709	0.9
82.02976	1.0
83.02519	1.4
84.00888	0.4
84.16245	0.2
85.04065	1.2
87.05643	0.5
93.03463	1.3
95.02506	2.0
97.00442	0.5
97.04128	0.2
98.01213	1.2
99.01997	13.3
101.03520	0.3
106.04218	0.4
107.05005	0.3
109.04076	0.6
110.01215	0.5
110.03591	0.7
111.02010	2.0
111.04361	0.2
112.02748	0.2
112.03998	0.2
112.05161	1.6
113.03567	3.4
113.07207	0.8
115.00344	0.7
115.07992	0.4
115.08766	5.7
116.05062	5.6
117.03456	0.3
118.06637	1.5
119.05027	5.5
125.03554	1.2
125.07206	3.6
127.05142	1.9
127.08752	0.6
128.03627	0.3
128.04652	1.0
130.06197	6.2
131.04712	0.4
133.01399	0.5
133.02931	0.3
133.05325	0.5
134.03722	0.8
134.06087	0.6
135.04559	0.3
135.05655	0.4
136.07690	0.8
137.03551	0.6
137.07213	1.7
138.03076	0.8
139.05124	0.4
140.04953	0.4
141.06696	8.1
142.06616	2.4
143.08252	1.0
144.07726	0.4
146.06113	4.7
147.04475	0.3
150.03081	0.3
151.05109	0.3
152.05931	0.2
152.08264	1.2
153.06688	5.0
154.05211	0.3
154.09843	1.4
155.03387	0.5
155.08257	0.8
156.04115	0.4
157.02548	0.2
157.07684	0.7
158.06113	1.9
160.03967	0.3
160.07701	1.2
161.07201	0.4
162.05598	0.6
163.03998	3.3
163.08769	1.4
164.07094	0.3
165.04240	0.3
165.08989	0.2
168.04478	0.4
170.05911	0.2
170.09340	4.2
172.07538	0.3
172.10901	2.2
173.07161	1.7
174.05608	0.5
174.09163	0.2
175.08754	0.6
176.07112	0.5
177.01891	0.3
178.02614	0.2
179.04637	1.1
180.06647	9.3
181.06454	0.2
181.07718	2.5
182.09441	0.3
183.05614	0.7
185.07147	1.1
186.05580	3.4
187.05083	2.6
187.08549	0.3
188.07027	0.8
189.06694	1.4
191.08289	1.1
193.08171	0.3
193.09805	3.7
197.07201	0.8
198.08875	0.5
199.08781	0.8
201.06691	1.8
202.09824	0.6
203.08264	5.3
205.09784	0.8
206.09253	1.1
207.07826	0.3
213.06482	0.3
214.09901	0.3
215.08224	0.6
217.09811	0.8
217.13547	0.2
218.09311	1.0
219.07713	1.7
220.10910	0.7
221.09306	0.3
224.05582	0.2
224.08348	0.3
224.10373	0.8
225.06703	1.4
225.10425	0.4
227.11836	1.7
228.10168	1.0
231.07765	0.3
233.09483	0.4
234.12433	0.3
237.08762	1.4
239.11961	0.5
240.11346	0.6
242.09357	3.8
242.12917	0.5
243.07693	0.5
244.07129	0.2
244.10774	0.3
244.14449	0.3
245.12930	0.8
246.08940	0.3
248.10379	0.7
250.11954	3.4
254.09802	0.2
256.14542	1.2
257.12900	1.0
258.08716	0.2
259.12006	0.8
260.10397	3.3
260.13953	0.5
262.11856	0.5
262.15601	1.4
266.11798	0.7
272.14130	0.5
274.11975	0.6
274.15576	0.5
275.09174	0.5
276.09756	1.1
277.13028	0.6
282.12482	0.4
283.13452	0.4
284.13794	0.3
287.11844	0.3
288.13531	0.7
290.15002	0.3
294.11026	0.7
299.15070	1.9
300.13269	1.0
301.16687	0.6
303.11346	0.4
305.12878	1.6
317.12836	0.2
317.16156	5.7
319.17612	1.6
322.15656	0.8
323.14059	1.5
344.14151	0.3
345.15634	0.8
350.44031	0.2
353.15860	0.5
357.15744	0.2
363.13544	0.4
366.14536	2.1
371.17181	0.7
374.18381	0.4
379.17889	0.4
380.16165	6.9
381.16309	0.4
397.18829	1.7
403.21335	0.2
403.61188	0.3
407.17337	0.4
414.17914	0.6
421.22467	0.8
423.16797	1.1
441.17679	0.6
461.21863	0.2
464.22995	0.7
509.21863	0.7
553.20764	0.6
570.23389	0.8
595.25378	0.4
663.29102	0.4
669.30579	0.7
689.26880	0.6
695.28198	0.5
706.28497	0.2
707.28253	3.3
708.28308	0.3
724.30939	6.9
725.31244	0.7
726.32477	0.9
871.37830	8.7
872.38239	1.7
898.38336	0.3
904.34326	0.2
963.42865	0.4
1061.45618	0.9
1079.46240	100.0
1080.46533	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	1069.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65192	0.3
81.03468	1.5
83.01383	4.7
83.05042	0.3
85.02948	17.0
86.00087	1.4
87.00874	7.7
87.04508	0.3
89.02441	10.2
95.01386	6.1
97.02949	6.4
99.00868	2.4
99.04497	0.4
101.02438	21.3
109.06544	0.3
111.00873	0.6
111.04509	0.4
112.01653	0.7
113.02448	25.2
114.02784	0.5
115.03992	1.0
119.03489	1.7
123.00775	0.3
123.04547	0.4
124.01682	0.6
125.02438	6.7
127.03979	0.4
131.03516	2.0
137.02490	0.3
143.03487	8.4
149.04533	1.1
153.05568	0.5
159.02959	0.4
161.04549	10.8
179.05614	0.4
181.04996	0.3
184.36049	0.3
221.06590	1.5
245.06573	0.7
261.12479	0.3
275.07550	0.4
289.15039	0.3
293.08856	0.4
293.95221	0.3
305.08612	0.4
455.14145	0.4
456.14658	0.3
457.33212	0.4
485.32568	0.8
518.23431	0.3
542.71259	0.3
577.37421	34.7
578.37744	3.8
638.76624	0.3
657.40265	0.3
673.39392	6.3
674.39557	0.9
685.39478	1.2
703.40735	0.7
721.42163	0.8
739.42725	2.4
871.46875	21.1
872.47095	2.5
901.47870	15.2
902.48187	2.1
1033.52222	94.2
1034.52380	17.8
1069.49805	100.0
1070.50195	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	1.3
83.01374	4.0
84.02193	0.3
85.02940	14.6
86.00105	1.1
86.03279	0.3
87.00867	7.0
89.02433	8.3
95.01378	5.8
97.02937	5.9
97.86330	0.2
99.00871	2.6
99.04519	0.4
101.02431	18.7
107.05029	0.2
111.00878	0.7
112.01675	0.8
113.02440	22.6
114.02811	0.4
115.04008	0.7
119.03460	1.5
124.01627	0.6
125.02436	6.0
129.01854	0.3
131.03500	1.9
135.04436	0.4
137.02434	0.3
143.03477	8.1
149.04547	0.9
159.02939	0.5
161.04536	10.1
161.05904	0.5
179.05534	0.4
221.06602	1.1
245.06642	0.6
275.07724	0.5
455.13989	0.5
485.32349	0.5
577.37384	32.8
578.37744	3.8
657.41425	0.3
673.39423	5.6
674.39801	0.6
685.39673	0.9
703.40411	0.6
721.41351	0.5
739.42749	2.6
868.19153	0.3
871.46790	17.8
872.47260	2.4
901.47955	12.0
902.48798	1.9
1033.52148	86.0
1034.52295	17.2
1069.49731	100.0
1070.50098	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	1.5
83.01382	4.2
85.02950	14.7
86.00078	0.4
87.00873	8.3
89.02441	26.8
90.02726	0.4
95.01385	5.5
97.02947	5.6
98.20624	0.7
99.00871	1.8
99.04519	0.5
101.02440	24.6
111.00880	0.4
111.04521	0.4
112.01681	0.4
113.02444	26.1
114.02756	0.5
115.04014	1.0
118.95708	0.4
119.03497	7.4
123.00897	0.3
125.02450	6.9
128.31479	0.3
131.03488	2.7
133.02982	1.7
135.04501	0.9
137.02412	0.6
141.01808	0.3
143.02437	0.6
143.03500	8.2
149.04544	1.4
159.03017	0.4
159.04295	0.3
161.04547	4.5
177.01917	1.4
178.02721	0.5
179.03473	0.4
179.05600	2.0
210.44722	0.4
221.06628	2.0
245.06573	0.7
286.72772	0.4
292.92624	0.3
392.34042	0.4
455.13968	0.4
575.35803	6.7
576.36249	0.5
671.37982	6.1
672.38330	0.7
683.37860	1.0
701.39032	0.8
719.40198	0.9
737.40961	2.4
825.74701	0.4
869.45404	20.0
870.45624	2.8
899.46521	15.9
900.47260	2.1
904.47479	0.4
905.49695	0.5
1031.50647	100.0
1032.50781	16.8
1067.48291	97.6
1067.72754	0.6
1068.48560	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	1067.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	1.4
83.01395	4.0
85.02943	14.6
85.23140	0.6
87.00869	8.5
89.02441	29.2
95.01382	7.5
97.02940	6.6
98.20707	2.2
99.00848	1.9
100.86908	0.6
101.02438	26.8
101.03108	1.3
113.02446	28.7
115.00372	2.0
119.03497	7.3
125.02454	6.2
127.03961	0.8
131.03479	2.5
133.01433	1.9
133.02974	3.2
134.03726	0.6
143.03497	8.9
149.04466	1.1
161.04544	4.7
171.10182	0.8
177.01897	1.6
178.02638	0.7
179.03416	0.9
179.05600	1.8
197.11716	0.7
209.11705	1.0
216.23170	0.6
221.06583	1.6
230.11281	0.7
245.06706	0.8
309.20670	1.9
327.16064	0.8
341.23499	0.9
364.77274	0.7
447.61145	0.6
460.87610	0.7
505.02582	0.6
575.35773	6.9
671.37878	6.1
683.37207	1.3
701.38177	1.2
737.40875	3.3
738.42651	0.7
831.57996	0.7
869.45306	23.6
870.45898	2.4
899.46368	21.2
900.46930	2.9
1031.50574	100.0
1032.50940	17.7
1067.48218	93.7
1068.48669	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	1069.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01838	0.3
81.03453	1.1
83.01385	4.2
84.02129	0.3
85.02948	14.9
86.00088	1.2
87.00876	7.6
89.02440	8.3
95.00822	0.5
95.01385	5.4
97.01984	0.3
97.02947	6.1
99.00886	2.4
99.04536	0.4
101.02439	19.7
106.72532	0.2
107.47850	0.3
108.73114	0.3
111.00820	0.3
111.04469	0.2
112.01622	0.8
113.02448	22.6
114.02780	0.4
115.04029	1.3
116.92812	0.3
119.03474	1.4
124.01677	0.4
125.02447	6.6
127.03983	0.4
129.01950	0.6
131.03473	1.8
137.02464	0.4
143.03490	7.6
149.04517	0.9
153.05589	0.4
155.03386	0.3
161.04546	10.4
179.00296	0.3
179.05687	0.3
181.05009	0.3
221.06676	1.3
245.06543	0.3
250.85092	0.2
293.08591	0.4
455.14011	0.3
457.33420	0.3
485.32596	0.5
511.34473	0.5
577.37408	35.0
578.37744	3.0
673.39484	5.5
674.40027	0.5
685.39209	0.9
703.40564	0.5
721.41614	0.7
739.42523	2.7
837.32928	0.3
871.46844	18.5
872.47607	2.1
901.47870	15.1
902.48431	1.6
930.55469	0.3
979.87787	0.4
997.02466	0.4
1033.52222	84.2
1034.52429	12.9
1069.49817	100.0
1070.50208	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	1066.503
Annotation	Unknow
Peak:m/z	Relative Intensity
74.51730	2.2
83.01374	4.1
84.17150	2.2
85.02950	12.8
87.00859	3.9
89.02446	4.7
98.20705	9.6
99.67935	2.5
101.02413	9.0
113.02464	11.5
115.00345	3.6
125.78724	2.4
133.01437	3.2
133.02928	6.0
161.04523	3.0
577.37378	4.6
578.37976	5.5
579.37817	5.6
580.38232	6.5
799.72272	3.1
843.46490	6.1
844.47229	8.1
874.47449	7.2
1003.50690	9.1
1004.50763	4.7
1005.51251	14.9
1006.52075	58.0
1066.50586	100.0
1067.51013	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02898	0.3
89.02458	1.2
93.03472	0.8
96.96018	0.3
99.00905	0.3
104.04801	0.4
109.02948	2.0
111.00865	0.3
115.00371	16.6
119.05022	0.8
121.02945	2.9
122.82272	0.3
123.00913	0.4
124.01653	0.4
133.01424	20.1
137.02405	1.0
139.04001	0.7
146.03777	0.5
147.00864	0.3
149.02454	0.8
159.04495	0.6
161.02423	0.6
163.03972	0.3
165.01912	0.4
170.03708	0.5
171.04514	1.1
173.02420	0.5
174.03151	0.4
174.94206	0.3
175.00327	0.9
175.03908	0.5
175.15471	0.2
177.02042	0.3
182.03789	0.3
183.04474	0.5
185.02472	0.6
186.03107	0.3
187.04025	0.8
189.01913	0.5
189.05510	0.3
195.04492	0.6
197.02419	0.5
197.06142	0.5
198.03148	0.7
199.03923	1.4
201.01953	0.3
203.03548	0.4
211.03989	2.4
212.04811	0.9
213.01981	0.7
213.05605	0.9
214.02724	0.5
215.03560	0.6
217.01340	0.5
223.03938	2.2
224.04726	0.9
225.02005	0.6
225.05606	0.8
226.02634	0.7
227.03484	2.3
228.04170	0.4
229.01329	0.6
237.01849	0.4
238.02768	0.9
239.03494	4.3
240.04204	2.9
241.01427	0.3
241.05035	4.0
242.02306	0.7
243.02959	0.6
250.02716	0.6
251.03473	1.7
252.04254	0.5
253.01312	2.3
253.05093	0.6
254.02205	1.1
254.05704	0.6
255.02977	2.0
255.06660	0.5
256.03735	0.9
257.04507	0.9
259.02505	0.3
264.04425	0.3
265.01288	0.3
266.02130	1.6
267.02957	8.2
268.03738	4.6
269.01279	0.5
269.04507	3.2
270.05072	0.3
271.02472	1.4
279.02933	1.8
280.03769	1.5
281.01364	0.4
281.04535	1.2
282.01547	0.9
282.05133	0.4
283.02463	2.3
283.05728	0.5
284.03165	0.7
285.04053	0.5
286.04861	0.6
291.06653	0.8
293.00958	0.6
293.04166	0.5
294.01682	0.6
295.02451	4.6
296.03247	3.4
297.03986	4.3
298.04819	1.2
299.05530	5.3
301.04919	0.4
303.06577	0.5
305.08145	0.5
306.01727	0.4
307.02731	0.3
308.03323	0.3
309.00436	0.7
309.03821	0.4
310.01059	0.7
310.04562	0.5
311.02060	0.7
311.05615	2.2
314.05960	0.4
315.06491	1.1
317.04706	0.4
317.08154	1.0
318.05167	0.7
319.06027	0.6
321.04138	0.5
323.01892	1.9
323.05307	0.3
324.02780	2.9
325.03488	5.3
326.03775	0.4
327.05161	0.5
329.04535	0.4
330.05228	0.8
331.06097	1.0
333.04126	0.3
333.07617	1.5
335.05652	0.4
337.03519	0.3
338.04211	0.9
339.04898	0.5
343.06122	1.8
344.07056	0.4
345.03967	0.5
346.04745	1.9
347.05347	0.5
353.02997	0.3
358.04785	0.6
359.05502	1.9
360.06235	0.8
361.02917	0.6
361.07120	6.5
362.07819	0.4
365.06714	0.5
369.04498	0.4
371.05582	0.8
373.07458	0.3
374.04367	0.4
375.04886	0.4
377.06525	0.6
385.03564	0.3
386.04306	0.6
387.04919	2.2
388.05670	1.1
389.06726	1.9
403.04218	0.5
405.06064	2.5
406.06766	0.4
415.04520	1.0
416.05344	1.1
417.06244	4.7
419.08246	0.4
429.05927	0.5
431.03604	2.2
432.04388	0.4
433.05609	18.7
434.06012	2.2
443.04135	0.3
445.05576	0.6
447.06808	0.3
448.07947	34.9
449.08627	9.3
450.08939	0.6
459.03503	9.4
460.04010	1.4
461.04840	0.3
474.05859	6.8
475.06421	2.5
476.06766	0.4
491.09930	1.1
517.07605	0.5
709.07288	0.3
782.15363	0.3
864.10754	0.3
905.23480	100.0
906.23828	12.9
931.21466	18.9
932.21606	2.0
949.22516	20.6
950.23297	2.9
1065.23621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09821	0.3
89.02446	0.9
93.03444	1.0
98.53905	0.3
102.70821	0.3
109.02934	2.5
111.00888	0.4
115.00363	17.1
119.05046	0.6
121.02946	3.2
123.00906	0.7
124.01692	0.6
133.01421	18.9
133.03004	0.8
135.04517	0.5
135.23618	0.3
137.02434	0.8
137.71364	0.3
139.04022	0.8
146.03699	0.4
147.00850	0.5
147.04456	0.4
149.02420	1.2
159.04410	0.3
161.02429	0.6
163.04083	0.4
167.05019	0.3
170.03720	0.5
171.04491	1.0
173.02406	0.8
175.00356	1.0
175.03862	0.5
177.01881	0.6
183.04451	0.9
187.03947	0.5
189.01842	0.7
191.03476	0.4
195.04482	0.7
197.02388	0.4
197.05956	0.6
198.03183	0.9
199.03925	1.5
201.01874	0.4
203.03430	0.6
207.04555	0.4
211.03973	2.3
212.04715	0.8
213.01903	0.5
213.05663	0.4
214.02748	0.7
215.03447	0.7
217.01353	0.6
223.03932	2.2
224.04727	0.7
225.01842	0.4
225.05466	0.4
226.02614	1.1
227.03442	3.0
228.04044	0.5
229.01483	0.3
229.04999	0.6
238.02687	1.0
239.03490	5.1
240.04207	2.6
241.01472	0.6
241.05011	4.2
242.02208	0.7
242.05667	0.4
243.02956	0.4
251.03490	1.2
252.04172	0.9
253.01424	2.1
253.04971	0.6
254.02194	0.8
255.02959	2.4
255.06538	0.8
256.03638	0.9
257.00961	0.3
257.04398	0.6
265.01398	0.6
266.02209	2.0
267.02963	9.2
267.05994	0.3
268.03748	4.5
269.01706	0.4
269.04462	2.8
271.02432	1.6
271.05679	0.4
278.02289	0.4
279.02948	2.0
280.03601	1.9
281.01065	0.6
281.04544	1.2
282.01700	0.8
283.02441	2.4
283.06052	0.7
285.03659	0.3
291.06592	0.9
293.00992	0.6
293.04626	0.5
293.07919	0.5
294.01773	0.8
294.05090	0.3
295.02435	5.3
296.03189	3.7
297.03973	3.7
298.04700	0.9
299.05499	4.4
303.06277	0.5
308.03287	0.4
309.00568	0.6
309.03775	0.7
310.01144	0.8
311.01880	1.0
311.05579	2.2
315.06561	1.1
316.07217	0.5
317.07874	0.5
319.05951	0.5
321.00604	0.4
321.04086	0.7
323.01913	1.7
324.02646	2.8
325.03476	5.1
326.04584	0.4
327.05499	0.4
329.04596	0.4
331.06067	1.1
333.07684	1.1
338.04279	0.9
339.05078	0.9
343.05923	2.0
344.06836	0.5
345.03607	0.4
345.07565	0.4
346.04880	1.0
347.05295	0.4
358.04849	0.5
359.05505	2.0
360.06357	0.7
361.02921	0.5
361.07129	6.6
362.07584	0.4
365.06995	0.4
369.03903	0.4
371.05542	0.8
374.04108	0.4
375.05005	0.5
386.04291	0.5
387.05032	2.8
388.05612	0.6
389.06757	1.6
389.76944	0.4
401.06381	0.5
403.04346	0.8
405.06177	2.0
415.04547	1.1
416.05255	1.2
417.06198	4.9
419.03772	0.5
431.03943	2.6
432.04446	0.5
433.05627	17.6
434.06042	1.7
448.07944	31.4
449.08640	8.8
450.09180	0.7
459.03546	10.2
460.04077	1.2
461.05069	0.5
474.05954	6.1
475.06821	2.5
491.09909	1.3
517.07513	0.7
782.17865	0.3
905.23468	100.0
906.23804	13.5
931.21387	17.3
932.22357	2.5
949.22540	19.7
950.22656	3.2
1065.23486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
73.77155	0.3
81.03450	1.2
83.01383	4.5
84.02171	0.4
85.02946	17.3
86.00094	1.5
87.00872	11.0
89.02435	17.2
93.03448	0.6
95.01379	6.6
97.02939	6.1
98.19942	0.4
99.00890	3.3
99.04497	0.3
101.02434	29.3
102.02766	0.5
111.00862	0.7
111.04531	0.6
112.01675	0.9
113.02441	27.3
114.02754	0.6
115.03935	0.5
119.03490	5.8
124.01645	0.4
125.02433	8.5
129.01874	0.4
131.03468	1.3
133.01352	0.3
133.02936	0.4
135.04500	0.6
139.03984	0.3
143.03477	8.8
144.03812	0.4
149.04558	0.5
153.05569	0.9
159.02957	0.6
161.04546	14.1
162.04884	0.4
179.05582	7.0
179.07028	0.6
181.05040	0.5
221.06604	1.0
249.56387	0.3
275.07733	2.2
305.08676	0.6
323.09726	0.5
425.12708	0.4
458.75546	0.3
485.14935	1.4
485.25516	0.3
485.32758	0.8
577.37384	40.5
578.37701	4.5
655.38721	0.4
657.39392	0.4
673.39417	17.6
674.39862	2.4
683.92169	0.3
685.39417	3.8
686.39697	0.4
703.40906	1.8
721.41107	1.6
739.42584	5.1
740.43274	0.4
880.66882	0.3
901.47919	56.8
902.48138	9.2
915.44385	0.8
1003.50317	1.0
1063.53210	100.0
1064.53479	18.6
1064.76697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	0.2
83.01385	2.6
85.02945	15.1
86.00099	0.8
86.03304	0.3
87.00871	7.2
87.01384	0.4
89.02441	6.3
93.03459	0.4
95.01382	5.3
97.02947	1.3
98.19864	0.4
99.00868	2.4
99.04448	0.2
101.02436	12.9
109.02934	0.2
111.00869	0.6
112.01673	0.5
113.02445	17.2
114.02799	0.3
115.04005	0.4
119.03526	1.1
125.02463	0.7
129.01918	0.4
131.03470	1.4
137.02455	0.2
143.03496	2.2
149.04556	0.3
155.03589	0.2
161.04544	7.2
161.05904	0.4
170.77548	0.2
173.04492	0.3
179.05577	0.4
180.20180	0.2
191.05663	0.7
215.05473	0.3
216.46049	0.2
245.06654	0.6
249.94179	0.2
251.00163	0.2
263.07782	0.6
386.72501	0.2
425.13492	0.3
457.32834	0.4
485.32892	0.3
511.33627	0.2
541.65906	0.2
577.37421	25.3
578.37750	2.5
668.97314	0.2
673.39368	2.6
691.40454	2.8
692.40613	0.4
709.41901	2.0
841.45807	23.5
842.46155	3.3
871.46881	12.9
872.46826	1.8
1003.51111	100.0
1004.51404	16.4
1063.51709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02949	4.6
75.00865	0.6
81.03453	1.6
83.01376	5.4
84.02161	0.5
85.02943	20.6
85.06566	0.5
86.00092	1.6
86.03266	0.4
87.00868	10.3
87.25156	0.4
88.53756	0.4
88.98840	0.4
89.02435	10.6
93.03475	0.5
95.00818	0.6
95.01381	6.4
96.96011	0.9
97.02940	7.6
99.00877	3.1
101.02435	26.8
102.02761	0.6
107.01380	0.5
111.00858	0.7
111.04528	0.6
112.01662	0.9
113.02444	27.9
114.02790	0.6
115.00344	4.0
115.03999	0.8
115.07613	0.6
119.03491	2.3
124.01675	0.6
125.02431	8.5
127.04044	0.5
131.03471	1.9
133.01431	5.0
133.02913	1.8
134.01836	0.4
134.03734	4.6
135.04558	2.5
137.02434	0.7
137.09679	0.5
143.03482	10.0
149.04552	1.1
161.02498	0.6
161.04541	12.1
162.03181	1.1
177.01889	1.3
178.02692	3.8
179.03406	1.6
179.05598	0.4
181.04991	0.4
209.11855	0.5
213.11333	0.7
219.95831	0.4
221.06680	1.3
229.01363	0.5
231.10248	1.5
245.06628	0.9
253.23247	0.4
275.09302	8.5
276.09546	1.3
293.10449	1.7
294.10605	1.3
305.08807	0.7
382.06223	0.5
387.32437	0.6
391.10306	0.6
409.11194	0.6
435.34818	1.5
444.41830	0.4
455.13953	0.7
505.35156	1.4
549.38000	0.4
579.38940	0.7
595.38348	1.4
596.38879	1.5
597.39966	30.4
598.40381	3.4
692.40533	0.5
693.42047	8.2
694.42114	0.8
705.42017	1.5
759.45068	6.2
890.47888	0.9
891.49396	28.9
892.49420	3.4
920.49255	0.7
921.50464	42.9
922.50696	5.2
1053.54675	100.0
1054.55017	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	1055.364
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	0.2
74.58185	0.1
79.95731	1.9
80.96519	0.9
83.01373	0.2
85.02942	0.5
86.00083	0.1
87.00846	0.1
94.98119	0.1
95.01389	0.1
95.95280	0.2
96.96007	45.0
97.95943	0.1
99.00890	0.1
101.02427	0.9
113.02453	0.2
115.00352	0.1
122.97551	0.5
133.01364	0.1
138.97069	0.9
143.03500	0.1
150.97050	0.8
152.98569	0.1
164.98648	0.4
168.98051	0.1
180.98132	0.6
198.99153	0.2
222.99101	0.1
223.01141	0.1
240.97720	0.1
241.00223	2.2
343.10641	100.0
344.10959	3.6
348.90283	0.1
361.58960	0.1
423.82034	0.1
542.22339	0.1
969.19366	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	1049.5166
Annotation	Solanigroside G
Peak:m/z	Relative Intensity
72.99285	1.8
73.02575	0.4
73.02937	6.2
76.39046	0.3
81.03461	1.7
83.00936	0.4
83.01383	6.7
84.02133	0.7
85.02946	26.6
86.00058	1.5
87.00869	14.3
87.04467	0.4
89.02442	15.8
93.03413	0.5
95.01383	8.6
97.02946	9.8
99.00868	3.8
99.04475	0.7
101.02436	33.5
107.01346	0.6
107.05023	0.3
109.06546	0.3
111.00806	0.9
111.04469	0.4
112.01633	0.9
113.02441	35.5
114.02715	0.5
115.00345	0.6
115.03986	1.7
119.03510	2.2
121.02916	0.4
123.00845	0.6
123.04469	0.4
124.01608	0.7
125.02438	10.2
129.01891	0.6
131.03482	3.1
133.01334	0.9
135.04448	0.7
137.02419	0.6
138.27632	0.3
143.03490	13.3
145.60812	0.3
149.04466	1.3
151.03856	0.4
153.05534	0.6
159.02921	0.5
161.04541	13.7
167.03360	0.3
179.05498	0.5
181.05011	0.7
183.80350	0.3
203.39955	0.4
209.04456	0.4
217.66257	0.3
220.46004	0.3
221.06647	1.6
245.06592	0.8
275.07349	0.6
275.09445	0.7
291.25568	0.3
293.08652	0.9
305.08743	0.6
343.26453	0.5
355.26358	0.4
383.29495	2.5
413.30664	1.6
425.30362	0.6
435.81406	0.4
450.34552	0.3
453.29993	0.4
455.13806	0.9
455.31537	0.4
483.30908	0.6
501.32098	0.5
517.31403	0.8
527.33759	0.6
545.34760	2.8
557.34753	0.7
575.35822	12.7
576.35956	1.3
593.36902	32.8
594.37170	3.0
657.25549	0.4
683.37738	0.4
689.38989	17.5
690.39246	1.7
701.38916	3.5
755.42255	10.5
756.42267	0.9
887.46399	61.7
888.46686	7.9
917.47424	50.5
918.47748	6.6
1049.51660	100.0
1050.52014	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	1051.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	3.0
73.02935	2.8
75.00864	0.3
79.01914	0.3
80.96449	0.4
81.03455	1.6
83.01376	4.8
84.02125	0.4
85.02948	19.2
87.00873	9.1
87.04462	0.3
89.02443	32.1
89.02952	1.0
93.03402	0.9
95.01387	7.1
96.95940	1.4
97.02946	6.7
98.20678	0.4
99.00875	2.1
99.04458	0.5
101.02441	29.3
102.02711	0.5
109.02887	0.5
111.00819	0.6
111.04456	0.4
113.02447	30.2
115.00285	1.4
115.03930	0.9
119.03499	8.1
119.04829	0.5
123.04451	0.5
124.01666	0.4
125.02447	7.8
127.03936	0.5
127.57471	0.3
129.01875	0.3
131.03494	2.2
133.01414	1.6
133.02901	0.7
134.03647	0.9
135.04422	1.0
137.02391	0.5
139.03963	0.3
141.98560	0.3
143.03496	9.3
149.04488	1.4
159.02951	0.4
160.86130	0.4
161.04556	5.2
166.22395	0.3
177.01683	0.4
178.02606	0.5
179.03311	0.7
179.05591	3.2
181.04955	0.6
191.05438	0.7
213.78076	0.3
221.06645	2.4
245.06635	0.7
263.61227	0.3
275.09048	1.1
297.32220	0.3
305.08597	0.5
371.13684	3.5
372.13409	0.4
416.21255	0.4
433.33063	1.0
449.14545	1.0
594.36084	0.4
595.38422	8.2
596.38892	0.9
690.39838	0.5
691.40363	8.7
692.40906	0.8
703.40021	1.0
757.43567	5.2
888.46411	0.7
889.47913	25.2
890.48511	2.8
918.47845	0.8
919.49030	46.4
920.49500	5.8
1051.53247	100.0
1052.53625	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	1047.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99128	2.6
72.99580	1.0
73.02768	3.7
73.03230	1.6
80.96378	0.5
81.03263	2.1
83.01189	3.9
83.01743	1.3
85.02749	20.4
85.03328	6.2
85.03646	0.9
87.00677	12.3
87.01275	3.5
89.02235	37.8
90.02634	0.5
90.45776	0.4
95.01167	7.5
95.01844	1.9
97.02731	6.9
97.03436	1.9
99.00711	1.0
99.01247	0.6
99.04337	0.8
101.02219	30.3
101.02965	7.0
111.04322	0.7
111.05016	0.5
111.48867	0.4
113.02198	36.7
115.00187	0.9
115.03792	1.3
115.04531	0.5
119.03236	8.3
119.04186	1.5
125.02172	9.8
125.03183	1.6
131.03233	3.4
133.01248	0.8
135.04256	1.2
137.02205	0.5
137.05836	0.6
143.03200	13.5
143.04453	1.9
149.04237	2.7
149.05592	0.7
161.04222	6.4
179.05269	4.7
221.06601	3.1
244.99480	0.5
245.06288	1.2
263.07425	0.5
275.07324	1.5
405.15500	0.5
455.14056	0.9
464.58798	0.5
510.13373	0.5
524.55286	0.6
543.32788	0.6
573.34381	3.4
591.35358	15.3
592.35449	1.3
671.39209	0.6
687.11292	0.5
687.37439	18.8
688.37134	1.7
699.37189	2.6
709.08929	0.6
753.40533	10.3
754.40662	1.5
885.44794	65.8
886.45013	8.2
915.45886	54.2
916.46222	8.6
942.01752	0.5
1047.50269	100.0
1048.50452	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	1049.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	0.4
79.95708	0.2
81.03430	0.2
81.95349	0.2
89.27217	0.2
93.03458	0.3
96.96001	4.6
97.02937	0.4
97.06610	0.2
98.95594	2.7
98.96438	0.7
102.98572	1.1
107.05003	0.2
108.02163	0.4
109.02225	0.3
109.02944	4.1
115.00379	2.4
115.29559	0.2
121.02965	1.8
133.01430	1.9
133.02945	0.7
134.03732	10.6
135.04552	1.8
136.01656	2.4
137.02434	1.6
149.02411	0.4
149.99612	0.3
151.00389	0.4
151.03995	2.4
162.03172	0.4
163.00534	0.2
165.01926	6.2
166.02357	0.2
174.06856	0.3
175.07596	0.3
177.01859	0.2
178.02692	1.0
179.03392	0.3
183.02896	0.3
187.07628	0.3
189.50154	0.2
191.03333	0.2
193.01384	1.3
195.02971	0.9
199.03917	0.8
202.06273	0.3
203.03430	0.2
203.10754	0.4
213.09145	0.5
215.03427	0.2
218.54362	0.2
226.02646	0.3
227.03410	1.1
228.04285	0.2
231.10246	2.1
241.00208	0.5
242.99907	0.6
243.02946	1.9
254.02118	0.8
255.02811	0.9
256.03580	0.3
257.08145	0.4
263.09302	0.2
269.04517	1.2
270.01724	0.4
271.02451	23.2
272.02863	1.0
275.09250	2.2
285.04047	1.3
286.04657	0.3
287.05612	0.5
293.10291	14.9
294.10529	0.5
297.04065	0.3
299.01935	44.8
300.02478	4.2
311.02039	0.2
314.04297	50.0
315.05026	19.1
315.09003	0.4
316.05490	0.8
322.48654	0.2
327.05173	0.3
357.06042	0.8
405.08691	1.3
406.09027	1.0
407.08566	2.2
408.08957	1.6
409.11725	2.6
639.15601	100.0
640.15912	8.6
640.26654	0.3
641.16058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	0.5
87.74671	0.1
89.02467	0.2
93.03471	0.2
96.96015	0.3
107.01383	1.4
107.36056	0.2
108.02174	1.1
109.02943	0.3
115.00359	0.5
119.05016	3.6
119.05832	0.3
121.02951	0.8
124.01679	0.3
133.01427	0.9
135.00873	0.5
148.01683	0.6
149.02336	0.2
151.00360	6.5
151.01588	0.3
152.01059	0.2
153.01932	0.3
163.00362	0.7
163.03987	3.6
164.01128	0.5
169.01425	0.3
174.03209	0.2
178.99850	3.6
187.03940	0.3
192.00594	0.3
199.03972	0.5
201.01886	0.2
211.03900	0.4
215.03513	0.5
216.04242	0.5
226.02687	0.9
227.03474	1.7
239.03293	0.2
243.02965	7.0
244.03558	0.6
245.04427	0.3
254.02287	1.5
255.02954	20.0
256.03345	0.9
271.02444	44.1
272.02991	2.9
273.03949	0.6
279.05243	0.2
283.02527	0.3
299.02008	2.1
300.02710	88.8
301.03394	12.7
302.04153	0.3
325.03357	0.2
343.04492	0.9
757.18225	100.0
758.18622	7.3
787.14301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	2.0
73.55320	0.6
78.95876	0.8
83.01370	3.0
85.02948	12.6
86.00079	0.8
87.00874	5.9
89.02447	7.6
95.01406	5.0
97.02927	1.1
99.00845	1.9
101.02444	12.4
102.99296	0.7
113.02451	17.3
119.03483	0.8
121.10202	0.7
131.03450	1.6
133.01443	0.9
143.03450	2.0
152.99559	1.4
161.04549	6.1
184.99442	0.6
322.01611	0.8
343.43842	0.7
453.72986	0.7
577.37500	19.5
578.37421	1.7
691.40228	1.5
706.34930	0.8
709.42230	1.0
803.45398	0.8
841.45856	11.1
842.45801	1.1
871.46576	6.6
1003.51202	44.7
1004.51251	4.5
1039.48804	100.0
1040.49097	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	1045.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	0.2
73.02935	0.2
78.52930	0.1
79.95732	5.5
80.96025	0.1
80.96513	2.2
83.01374	0.2
85.02947	0.3
87.00853	0.5
88.82203	0.1
88.87531	0.1
94.98064	0.1
95.95233	1.5
95.95812	0.1
96.96006	100.0
97.95979	0.2
99.00889	0.3
101.02444	0.6
110.97558	0.6
113.02456	0.3
122.97576	0.5
124.96637	0.1
125.02448	0.2
138.97066	5.8
141.95811	0.1
143.03477	0.3
148.05281	0.5
149.06053	0.1
150.97050	1.1
152.98631	0.2
162.06850	0.2
163.07652	0.2
164.98639	0.6
165.01921	0.1
168.98071	0.7
180.98134	0.7
182.29700	0.1
182.99684	0.1
198.99155	0.1
202.06430	0.1
205.08615	0.1
207.36864	0.1
213.00645	0.2
216.33842	0.1
217.08682	0.1
222.99165	1.3
223.02426	0.1
225.00714	0.6
235.09709	0.2
241.00217	22.0
242.00500	0.4
265.66693	0.1
271.02438	0.5
299.01883	0.8
314.04291	1.0
315.04910	0.4
366.15765	0.1
367.10632	0.9
405.08551	90.1
406.03421	0.2
406.08871	4.4
444.54358	0.1
536.85986	0.1
639.15625	2.1
640.16400	0.2
641.15918	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	1033.5206
Annotation	Desgalactotigonin
Peak:m/z	Relative Intensity
72.01720	0.4
72.99302	2.7
73.02942	9.1
74.03268	0.2
75.00873	0.4
79.01910	0.2
81.03450	3.0
83.01380	9.2
84.02158	0.7
84.02649	0.2
85.02945	36.9
86.00093	3.2
86.03299	0.3
87.00870	18.4
87.04519	0.2
89.02439	19.5
93.03475	0.5
95.01383	12.1
95.05019	0.1
97.02945	14.6
99.00874	5.3
99.04509	0.7
101.02436	43.3
102.02771	0.5
107.01447	0.4
107.05035	0.3
108.02206	0.2
109.01343	0.1
109.02949	0.6
111.00877	1.2
111.04508	0.5
112.01657	1.7
113.02444	50.5
114.02779	0.5
115.04018	2.4
119.03500	3.1
119.05057	0.2
123.00890	0.3
123.04562	0.3
124.01620	0.9
125.02441	15.3
125.06040	0.2
126.02783	0.2
127.04021	0.4
129.01971	0.9
131.03499	3.5
133.02939	0.6
135.04507	0.5
137.02463	0.5
137.06082	0.3
139.03976	0.5
141.01968	0.2
143.03490	19.4
144.03867	0.2
149.04535	2.3
149.05800	0.2
151.03987	0.2
153.05598	1.1
159.03021	1.0
161.04544	18.3
162.04968	0.3
163.03976	0.3
165.05556	0.2
167.03528	0.2
167.88040	0.1
177.01883	0.3
179.03511	0.3
179.05577	1.5
181.05040	0.5
195.06667	0.3
221.06659	1.9
223.06012	0.3
245.06659	1.4
275.07730	1.7
287.07828	0.2
293.08667	0.9
293.21274	0.3
305.08704	1.6
323.09747	0.4
413.30338	0.4
455.13940	1.5
456.13736	0.2
457.33218	1.0
470.55176	0.2
479.63379	0.2
484.32828	0.2
485.32510	0.9
511.34296	0.6
577.37372	58.3
578.37714	5.4
578.46899	0.2
640.37579	0.2
655.38300	0.9
657.39948	0.5
673.39490	21.4
674.39844	2.3
685.39508	4.6
685.51746	0.3
686.39331	0.5
703.40521	1.6
721.41821	1.5
739.42645	10.5
740.42877	1.1
871.46838	63.9
872.47229	7.2
901.47913	45.8
902.48224	5.7
1033.52173	100.0
1034.52344	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	1033.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01711	0.4
72.99300	2.8
73.02941	8.7
75.00873	0.3
79.01894	0.2
81.03456	2.6
83.01382	9.7
84.02170	0.5
85.02946	35.9
86.00090	3.2
86.03272	0.4
87.00871	18.6
87.04520	0.4
89.02441	19.9
90.02813	0.2
93.03461	0.3
95.01382	11.4
95.05004	0.2
97.02943	13.5
98.69147	0.2
99.00877	5.5
99.04518	0.8
101.02437	42.1
102.02784	0.3
107.01392	0.3
107.05001	0.3
109.02929	0.5
111.00876	1.0
111.04494	0.6
112.01673	1.5
113.02444	47.7
113.32978	0.2
114.02766	0.6
115.04014	1.6
119.03504	2.6
119.04954	0.3
121.02988	0.3
123.00879	0.3
123.04523	0.5
124.01652	0.5
125.02440	15.5
125.06071	0.2
125.81705	0.1
126.02732	0.2
127.03999	0.5
129.01945	0.7
131.03496	3.5
133.02948	0.7
134.03798	0.2
135.04514	0.9
137.02409	0.4
137.06096	0.4
139.03969	0.4
141.01930	0.2
142.02725	0.2
143.03488	21.3
144.03792	0.3
149.04530	2.3
151.03986	0.3
153.05573	1.5
155.03534	0.2
159.03000	1.1
161.04544	18.3
162.04921	0.2
165.05534	0.4
167.03520	0.3
169.05017	0.2
177.01930	0.4
179.03445	0.3
179.05565	1.3
181.05034	0.5
195.06654	0.2
205.03522	0.3
211.06133	0.2
220.55315	0.2
221.06624	1.9
230.51134	0.2
241.07312	0.2
245.06635	1.7
263.07608	0.2
269.06595	0.2
275.07657	2.1
276.08206	0.2
287.07651	0.2
293.08765	1.2
305.08667	1.5
322.20905	0.2
323.09961	0.3
351.38553	0.2
368.74084	0.2
395.11627	0.2
406.85846	0.2
413.30655	0.2
429.62949	0.2
455.13992	1.8
457.33136	0.7
465.91589	0.2
477.86823	0.2
485.32877	1.0
501.32346	0.2
511.34109	0.4
577.37372	59.0
578.37634	5.1
619.38147	0.2
633.39886	0.2
655.38770	0.9
657.39801	0.6
673.39490	23.6
674.39978	2.2
685.39545	5.3
686.39923	0.4
703.40527	1.8
721.41687	2.0
739.42615	12.4
740.42664	1.2
818.38324	0.2
871.46875	69.9
872.47192	7.8
883.46539	0.5
901.47913	49.6
902.48206	5.8
917.45355	0.3
1033.52173	100.0
1034.52393	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	1033.5203
Annotation	Desgalactotigonin
Peak:m/z	Relative Intensity
72.01700	0.4
72.75054	0.2
72.99303	3.4
73.02941	9.4
75.00874	0.6
79.01897	0.3
81.03452	2.7
83.01383	10.9
83.82811	0.2
84.02165	0.8
85.02946	40.2
86.00095	3.6
86.03280	0.3
87.00872	20.1
87.04530	0.3
89.02439	21.8
90.02806	0.2
93.03464	0.5
95.01382	12.6
95.04977	0.3
97.02943	15.3
99.00876	6.9
99.04504	1.0
101.02438	48.2
102.02768	0.9
102.05618	0.4
105.03454	0.5
107.01366	0.5
108.02164	0.3
109.02940	1.2
111.00890	1.3
111.04508	0.7
112.01660	2.0
113.02444	52.0
114.02760	0.9
115.00352	0.7
115.03994	1.6
119.03484	2.7
120.84878	0.2
121.02948	0.5
123.00848	0.4
123.04513	0.3
124.01665	0.9
125.02440	15.5
125.06046	0.2
127.03981	0.3
128.03479	0.4
129.01921	0.8
131.03499	3.7
133.01419	0.8
133.02946	4.1
134.03809	0.9
135.04515	1.1
137.02435	1.3
137.06090	0.6
139.00339	0.4
139.03993	0.6
142.02686	0.2
143.03491	21.2
144.03813	0.4
146.04604	1.0
149.02519	0.2
149.04555	2.6
151.00331	0.3
151.04008	0.4
153.05569	1.2
159.02971	1.1
161.04546	19.9
162.04877	0.3
165.05635	0.3
167.03511	0.3
177.01909	2.2
178.02753	1.2
179.03516	0.6
179.05585	1.6
181.05046	0.7
195.06638	0.4
211.13252	0.3
221.06641	2.0
245.06595	1.3
266.29233	0.2
275.07657	1.8
292.79391	0.2
293.08780	1.0
299.16537	0.2
305.08737	1.3
309.14746	0.6
323.09933	0.3
327.16031	1.1
352.79965	0.2
413.29868	0.2
455.13928	1.4
457.33099	0.9
485.32526	1.1
511.34357	0.8
546.91626	0.2
577.37390	61.2
578.29120	0.4
578.37744	5.4
581.25592	0.2
655.38409	0.9
657.39679	0.7
673.39490	23.4
674.39728	3.0
685.39404	5.2
686.39423	0.4
703.40381	1.8
721.41498	1.6
739.42706	12.8
740.42963	1.2
798.65710	0.2
855.45502	0.4
871.46857	68.0
872.47192	9.5
873.46100	1.9
883.46729	0.5
901.47906	52.5
902.48303	7.3
917.45050	1.4
918.45844	0.3
1033.52173	100.0
1034.52405	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	1033.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43937	0.4
71.51333	0.5
73.02968	0.8
77.03962	1.9
79.46808	0.4
82.19402	0.4
83.01406	0.6
85.02948	1.7
87.00880	1.3
89.02429	1.9
89.03972	1.2
93.03474	1.0
95.01403	0.6
95.05014	4.5
95.05557	0.5
97.22224	0.5
101.02420	2.5
102.05566	2.8
105.03457	17.0
106.04273	0.8
109.02954	1.5
111.08163	0.4
113.02425	2.2
115.00377	8.3
116.92880	1.1
121.02977	2.5
123.04510	1.5
125.02464	0.6
128.03513	1.6
131.03497	0.4
132.02177	1.2
133.01350	3.0
133.02948	100.0
134.03761	17.0
135.04520	5.2
137.01469	0.7
137.02443	9.8
139.04018	3.0
142.01057	0.4
143.03470	1.1
146.04587	5.7
149.02376	0.7
150.03255	1.2
151.04013	0.7
159.04495	0.6
161.04550	1.0
161.05998	0.4
171.10303	0.8
177.01918	67.4
178.02701	22.6
178.04295	0.9
179.03485	10.2
187.03981	0.6
188.04747	0.4
197.11772	0.9
202.06380	0.8
211.13351	6.3
211.15169	0.5
212.13644	0.4
216.82988	0.4
235.08229	0.6
249.18536	0.7
253.09317	0.8
260.38293	0.4
280.57574	0.4
283.13315	1.2
291.19589	1.7
299.16574	0.5
301.14520	0.7
309.14941	2.4
309.20663	4.3
310.21072	0.5
327.16031	6.0
328.16000	0.5
338.90350	0.4
341.23224	0.8
342.23587	0.8
345.16971	0.7
447.22275	1.1
547.01996	0.4
551.13641	0.5
563.24084	0.4
577.37085	2.5
581.26099	1.1
661.24194	0.5
673.39819	1.0
739.42792	3.6
847.16638	0.4
855.45343	3.2
871.47131	3.4
873.46454	19.7
874.46637	2.3
899.44159	1.0
901.48169	3.0
917.45294	33.8
918.45850	5.5
1033.51965	6.0
1034.51172	0.9
1037.14368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04700	0.3
72.99294	0.6
87.00850	0.6
89.02432	0.3
93.03458	0.5
94.74582	0.3
96.96008	3.7
97.06577	4.5
98.19916	0.6
104.10145	0.3
105.03454	0.5
106.04230	0.8
107.05035	0.3
108.02169	0.7
109.02937	1.3
112.84400	0.3
115.00363	24.2
116.00721	0.6
116.84515	0.3
117.03463	1.1
121.02957	1.3
123.04523	0.5
133.00365	0.3
133.01425	30.9
133.02916	5.0
134.03732	100.0
135.04539	21.5
136.01633	0.7
136.04857	0.8
137.02437	13.8
138.02705	0.4
139.03978	0.7
150.03107	0.3
151.03998	4.3
165.01894	1.5
174.06870	1.3
175.04010	0.3
175.07590	0.5
177.01921	6.1
177.72339	0.3
178.02693	19.1
179.03482	5.8
183.04457	0.4
187.04027	0.3
187.07578	1.5
191.05609	0.4
196.03763	1.6
202.06412	0.6
203.10703	1.3
205.08759	0.7
211.03906	0.9
213.09151	1.2
219.10345	0.3
227.03516	3.5
228.04135	0.5
231.10242	20.7
232.10568	0.8
247.09581	0.3
249.11313	1.0
255.02963	13.9
256.03641	1.7
257.08289	0.5
263.09161	0.6
271.02463	0.4
271.06107	0.6
275.09238	15.7
276.09476	0.6
282.03769	0.8
282.99954	0.3
283.02448	29.6
284.03162	5.4
293.10287	75.0
294.10641	2.6
298.04800	26.9
299.02078	1.5
299.05524	20.1
300.05905	0.7
312.04871	2.9
314.04218	1.5
315.05066	0.6
341.06616	0.9
406.45810	0.3
409.06195	0.5
409.11307	11.3
410.11758	0.8
471.93826	0.4
623.16089	77.9
624.16400	6.6
848.01575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.506
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51392	0.4
72.01725	0.6
72.99306	4.9
73.02937	5.2
75.00886	0.4
77.00520	0.3
81.03450	2.8
83.01377	7.4
83.05029	0.4
84.02153	0.6
85.02948	32.2
86.03297	0.3
87.00871	19.8
87.04489	0.2
89.02441	52.3
90.02795	0.7
93.03465	0.7
94.86597	0.2
95.01384	11.1
95.05011	0.4
97.02944	11.5
99.00875	3.9
99.04510	0.9
101.02438	42.2
102.02824	0.4
105.03455	0.7
107.05035	0.3
109.02972	0.7
111.00891	1.1
111.04539	0.8
112.01678	0.5
113.02445	49.3
114.02809	0.4
115.00402	0.3
115.04000	1.4
119.03498	12.1
120.03822	0.3
123.00901	0.4
123.04497	0.4
124.01650	0.5
125.02444	14.5
126.02859	0.3
127.04042	0.6
129.01875	0.4
131.03491	5.1
133.01456	0.4
133.02948	3.6
134.03751	0.3
135.04515	1.0
137.02448	0.9
137.06099	0.3
139.04005	0.5
141.01901	0.3
143.03493	21.3
144.03752	0.4
145.01385	0.3
149.04526	3.6
151.03938	0.3
153.05530	1.0
159.02972	1.0
161.04549	7.7
161.05893	0.4
163.03947	0.3
165.05931	0.2
167.03525	0.2
177.01941	2.1
178.02673	0.8
179.05608	4.1
181.05107	0.6
183.13696	0.3
185.04535	0.4
195.06631	0.3
203.05533	0.4
221.06670	2.7
245.06676	1.4
263.07651	0.6
275.07709	1.9
293.08731	1.1
305.08691	1.2
323.09888	0.3
339.00864	0.3
393.48322	0.2
439.32379	0.2
455.13998	1.8
511.26105	0.3
575.35822	30.2
576.36096	2.3
624.11115	0.3
653.36847	0.6
655.38794	0.6
671.37952	22.7
672.38348	2.3
673.04663	0.3
683.37994	4.9
684.38495	0.6
701.38531	1.6
719.40338	1.5
737.41119	13.4
738.41119	1.6
773.37274	0.3
869.45306	68.3
870.45660	9.3
871.45123	0.3
899.46423	57.3
900.46619	7.9
915.44073	1.1
916.42554	0.3
1031.50623	100.0
1032.50879	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	1031.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	4.8
73.02934	4.7
75.77005	0.6
81.03441	2.4
83.01374	8.2
85.02944	31.4
87.00869	18.5
87.04490	0.6
89.02439	47.1
93.03439	0.8
94.20104	0.5
95.01376	10.5
95.05008	1.1
95.98054	0.5
97.02946	10.9
97.06573	0.6
99.00861	4.0
99.04522	0.8
101.02435	40.1
102.02775	0.6
105.03429	1.4
109.02925	0.8
111.00866	0.7
111.04559	1.2
111.38167	0.6
112.01630	0.8
113.02441	49.8
114.02757	1.1
115.00367	1.7
115.03973	1.4
116.92845	2.9
119.03499	12.8
123.04497	0.6
125.02431	14.8
131.03487	4.2
133.01442	1.3
133.02945	7.5
134.03793	1.2
135.04469	1.0
137.02406	1.5
139.04008	0.8
143.03493	18.9
149.04544	3.0
153.05583	1.5
159.02936	1.1
161.04552	7.9
167.89828	0.6
171.10229	1.9
177.01920	5.6
178.02670	1.7
179.03415	1.5
179.05568	5.2
193.05144	0.7
194.19754	0.6
197.11848	1.4
209.11755	0.9
221.06680	3.5
225.14908	1.0
245.06644	1.4
275.07773	2.0
291.19659	1.5
305.08698	2.2
309.15067	1.0
309.20575	4.9
341.23270	9.3
384.51279	0.6
397.13327	2.7
415.14417	2.3
455.13669	1.8
533.42151	0.6
575.35785	29.0
575.44830	1.4
576.36182	2.2
653.36804	1.0
671.37952	23.2
672.38446	2.6
683.37982	4.3
701.38922	1.4
707.34595	0.7
719.40198	1.8
737.41010	13.6
738.41974	1.3
768.26160	0.7
869.45313	66.4
870.45795	9.1
871.45227	1.1
899.46362	58.1
900.46826	7.6
903.41034	0.8
915.43689	2.6
924.71204	0.7
1031.50598	100.0
1032.50537	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	1019.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	2.8
72.99297	0.2
92.34476	0.1
93.03477	0.2
97.02962	0.2
97.06583	0.3
98.19841	0.2
105.03423	0.2
108.02142	0.2
109.02954	0.5
115.00368	2.1
121.02952	1.2
133.01430	3.0
133.02927	1.4
134.03726	4.9
135.04533	2.0
137.02432	1.0
139.03998	0.4
148.01721	0.2
149.02655	0.1
150.03154	0.2
150.04277	0.2
151.00354	0.5
162.03119	0.2
163.04109	0.1
165.01933	4.1
175.03972	0.2
177.01910	1.0
178.02701	4.1
179.03481	1.4
187.03987	0.2
193.01413	0.9
199.04031	0.7
201.01932	0.2
204.24921	0.1
207.03046	0.2
215.03476	0.4
226.02721	0.2
227.03488	1.4
229.01517	0.1
231.10269	0.3
242.02180	0.3
243.02934	2.0
254.02235	0.4
255.02956	0.5
257.04544	0.2
269.04599	0.9
270.01627	0.3
271.02454	24.7
272.02811	1.2
275.09195	1.5
282.01572	0.1
285.03973	1.5
286.04669	0.3
287.05533	0.3
293.10312	3.7
299.01932	47.9
300.02441	3.3
313.03537	0.4
314.04288	63.1
315.04947	9.5
316.05383	0.4
357.05942	0.2
398.32239	0.1
409.11368	0.6
477.10757	0.3
489.16675	0.2
504.34467	0.2
609.14539	100.0
610.14801	9.0
950.86078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	0.2
96.96030	0.3
101.02439	0.2
115.00377	0.5
133.01414	0.4
135.04512	0.4
165.05377	0.2
179.03464	0.4
191.05560	0.2
211.82629	0.2
275.09229	0.2
290.92218	0.2
339.20889	0.2
399.41864	0.2
470.30051	0.2
495.29636	2.8
531.27234	100.0
532.27557	7.5
615.97650	0.2
674.20886	0.2
933.25391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00907	1.4
73.04064	7.1
74.02466	1.5
74.87395	0.3
80.96487	0.3
82.01715	1.2
82.02980	1.2
83.02498	1.2
84.00916	1.3
85.04066	0.8
87.05622	0.9
93.03439	1.8
95.02516	2.7
96.96001	0.6
97.00430	0.5
97.04044	0.5
98.01266	0.4
99.01996	14.4
99.05637	0.3
101.03532	0.5
109.04084	1.1
110.01168	0.5
110.06181	0.4
111.01985	1.2
112.02782	0.5
112.05167	3.2
112.07681	0.4
113.03572	3.8
113.07222	0.6
115.00349	0.9
115.05120	0.3
115.08764	7.9
116.05054	4.7
116.07175	0.4
117.03447	0.5
118.06640	1.2
119.05018	7.9
121.02962	0.3
124.05125	0.4
125.03604	1.3
125.07191	4.1
126.05589	0.8
127.05120	1.1
127.08772	1.1
128.03557	0.4
128.04625	0.5
129.10307	0.4
130.06212	12.8
131.04622	0.6
133.01422	0.9
133.02899	0.7
133.05313	0.5
134.03746	0.8
134.06105	0.8
135.04512	1.0
136.07658	1.0
137.03505	0.5
137.07191	2.2
138.05643	0.3
139.05118	0.7
141.06680	4.8
142.06606	3.0
143.08260	0.5
144.07802	0.7
146.06122	0.5
150.03114	0.3
151.05174	0.4
152.05954	0.3
152.08258	0.3
153.06694	4.4
154.09860	1.2
155.03334	0.5
155.07249	0.3
155.08295	3.7
156.04144	0.6
157.07681	0.4
158.06033	0.3
161.07278	0.3
162.03206	0.6
162.05490	0.4
163.04025	3.8
163.08786	0.4
164.07047	0.3
167.11884	0.7
168.04474	0.8
168.11380	0.3
169.13458	0.6
170.09343	1.6
172.10910	5.9
173.07155	1.1
173.09361	0.3
174.05556	0.6
175.08714	0.4
177.01817	0.4
178.02670	0.7
179.03275	0.4
179.04659	1.4
179.11888	2.1
180.06642	11.4
181.07719	2.7
181.09787	0.7
182.09314	0.6
184.10892	0.3
185.07098	1.0
186.12450	0.8
187.05147	3.4
188.07050	0.4
191.05658	0.6
191.08287	1.4
191.11671	0.4
193.09795	4.5
193.13394	0.5
194.13020	0.6
195.11349	0.5
196.10893	0.4
196.14543	2.5
197.07162	0.9
197.12917	1.8
198.08812	2.4
201.06631	1.1
202.09810	0.6
203.08253	0.8
205.09782	0.8
206.09386	0.8
208.14476	0.9
211.11978	4.9
212.14012	0.9
214.12027	0.3
214.15579	6.0
218.09328	0.9
219.07748	1.3
222.12463	0.5
224.08354	0.4
224.10439	0.7
224.14000	1.2
225.06654	1.5
225.10330	0.4
226.15616	0.7
228.17075	0.5
229.13034	2.0
231.07751	0.4
234.12473	0.7
237.08818	1.0
239.11668	0.4
240.11432	0.4
240.13525	1.8
242.15094	0.4
243.14575	0.6
248.10355	0.7
249.08701	0.3
250.11932	6.6
251.12502	0.5
251.15059	2.2
252.13435	1.4
253.16631	2.5
255.11029	0.7
256.14328	0.3
257.12924	0.3
260.10495	1.1
262.11948	0.5
269.16180	7.5
271.17737	3.9
275.09180	2.6
276.09869	1.5
281.16174	0.7
283.17850	0.5
285.19205	0.7
288.09897	0.3
292.16641	1.6
294.10797	0.6
297.15680	2.4
299.17221	0.3
305.12903	1.3
309.15704	0.3
314.04126	0.4
318.14624	0.3
322.15604	1.0
326.18332	0.9
328.19876	0.9
334.17789	0.3
349.18774	5.4
353.16290	0.6
354.17621	0.5
359.17059	0.7
366.14285	1.6
366.18356	0.4
373.22333	1.3
375.16568	1.0
379.17819	0.8
391.23495	0.6
393.17651	0.5
413.21970	0.5
416.22964	0.9
423.16727	0.9
443.21655	0.3
448.25656	2.8
478.24518	0.4
500.24152	0.3
522.23328	1.2
547.24890	0.7
615.28729	0.6
621.30597	0.8
639.15680	0.6
642.31299	0.4
647.28412	0.6
659.28156	2.6
676.30939	6.6
677.31433	0.6
678.32251	1.1
806.34772	0.3
823.37689	8.7
824.38342	1.2
850.38141	0.5
1013.44318	1.1
1014.43713	0.3
1031.46240	100.0
1032.46472	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	101.0244
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
53.26677	6.5
55.01865	6.6
57.03443	26.2
58.34435	5.5
63.59536	5.5
65.29240	6.4
66.69518	5.7
70.87356	13.6
73.02950	15.2
83.01376	6.5
101.02435	100.0
102.05608	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	101.0244
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01872	10.3
57.03453	10.4
57.03684	1.7
58.00589	2.1
59.01371	6.4
70.44983	1.7
70.45295	3.1
71.01379	5.4
73.02948	19.0
83.01373	2.4
84.95119	2.4
100.94610	100.0
101.02442	35.1
102.05605	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	1017.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	6.9
71.01693	0.3
77.03961	2.6
77.91563	0.4
87.34364	0.3
89.03964	1.5
90.91451	0.3
93.03469	1.3
95.05025	5.1
96.96014	0.4
99.92567	0.4
105.03456	16.0
106.04242	0.4
109.02944	1.2
111.00854	0.5
115.00371	9.5
116.92857	1.3
121.02960	1.9
123.04494	1.8
132.02145	1.2
133.02951	100.0
134.03766	14.7
135.04523	4.8
136.89127	0.3
137.02426	10.2
139.03996	3.5
149.02417	0.9
150.03223	1.3
151.03972	0.6
159.04562	0.4
161.02420	0.4
165.01901	0.6
171.10277	0.6
177.01918	71.3
178.02692	23.0
178.04306	0.8
179.03488	9.0
183.13808	0.4
187.03993	0.4
187.98235	0.3
195.13953	0.5
202.06425	0.4
211.13376	5.7
253.09232	0.8
275.20102	0.4
277.18094	0.4
283.13409	0.6
293.21185	4.2
294.21359	0.4
299.16489	0.5
309.14935	1.2
327.16025	4.5
375.29739	0.4
447.22321	1.4
529.29852	0.5
581.25977	1.3
723.43512	3.0
825.40393	0.5
839.46173	2.1
857.46777	16.9
858.47150	2.7
901.45856	33.6
902.46161	5.7
1017.50690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	10.5
72.99293	1.2
73.02948	2.0
83.01418	0.4
85.02966	0.8
88.98803	1.4
96.96008	5.4
99.00849	1.0
101.02408	0.8
113.02428	0.8
115.00366	14.5
122.07008	0.5
133.01451	2.4
133.02916	0.6
134.03760	0.9
135.04518	1.1
135.08154	1.9
137.02443	0.8
137.09731	7.5
151.00334	1.5
155.10770	100.0
156.11108	2.7
162.03207	0.5
166.02721	4.8
177.01874	0.5
177.04105	1.0
178.02600	0.7
181.05060	5.1
199.09750	26.0
200.10086	0.9
209.11784	1.1
221.08305	0.5
256.99835	1.0
275.09265	1.1
373.12619	0.5
387.10553	0.9
387.14896	0.5
395.13898	4.5
397.13669	0.5
399.14780	0.8
402.13480	0.5
403.13983	1.5
417.15411	1.2
455.86374	0.5
475.18060	1.5
502.55737	0.5
538.97711	0.5
893.34412	82.4
894.34705	11.2
1009.34601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65348	0.5
71.01376	7.9
77.03952	1.9
78.95898	0.4
89.03962	1.4
93.03458	1.6
95.05016	4.5
101.02435	0.3
104.02683	0.3
105.03452	17.2
106.04247	0.9
109.02947	0.8
111.00866	0.6
113.02380	0.3
115.00367	8.6
116.92767	0.2
118.36469	0.3
120.97511	0.2
121.02936	2.9
123.04517	1.6
132.02164	0.9
133.02950	100.0
134.03758	18.5
135.04549	3.9
137.02435	12.0
139.00368	0.3
139.04007	4.0
144.14217	0.2
148.20326	0.2
148.63077	0.2
149.02419	0.7
150.03218	1.2
151.03993	0.8
152.99628	0.3
165.01985	0.3
177.01915	77.8
178.02692	26.7
179.03476	8.7
183.13809	0.2
187.03992	0.4
202.06310	0.4
211.13364	6.7
213.05379	0.3
235.08215	0.3
253.09303	0.3
277.21713	4.5
278.22205	0.3
283.13382	0.7
301.14572	0.3
309.14874	1.6
327.15973	4.5
345.16974	0.7
420.74435	0.3
429.21011	0.6
447.22137	1.0
453.45486	0.2
513.30853	0.4
563.25037	0.5
581.25806	1.6
707.43781	3.5
708.43317	0.4
823.46204	1.7
824.46777	0.5
841.47400	13.6
842.47382	1.9
867.45374	0.3
885.46332	27.9
886.46661	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	1001.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	7.4
71.50469	0.3
73.22350	0.2
77.03963	2.2
78.95901	0.3
89.03955	1.5
93.03439	1.4
93.97923	0.2
95.05022	5.0
97.49068	0.2
100.87545	0.2
104.09061	0.2
105.03457	15.8
106.04308	0.9
109.02953	0.8
111.00861	0.5
111.77857	0.2
115.00365	7.9
121.02947	2.0
123.04499	1.4
124.01704	0.2
132.02199	0.8
133.02953	100.0
134.03757	17.4
135.04529	5.1
137.02438	10.6
137.03529	0.3
139.03990	3.6
149.02452	0.8
150.03246	1.1
151.04039	0.4
159.04474	0.3
165.01949	0.5
177.01917	74.0
178.02692	25.2
179.03484	9.6
183.13882	0.3
187.03925	0.5
188.04749	0.3
202.06377	0.2
211.13367	4.7
211.15390	0.2
229.23970	0.2
235.08237	0.3
253.09248	0.3
277.21695	5.2
277.24313	0.2
278.22208	0.3
283.13425	0.5
299.16495	0.6
301.14331	0.5
309.14975	1.7
327.15970	4.9
345.17081	0.4
359.01996	0.2
429.21283	0.3
447.22104	0.7
513.30859	0.4
563.25000	0.7
563.47845	0.3
564.95416	0.2
581.25873	1.2
707.43610	2.9
708.43463	0.3
817.29810	0.2
823.46387	2.3
824.47565	0.3
841.47443	13.4
842.47913	1.9
867.44324	0.3
885.46344	24.5
886.46692	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	992.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	2.6
69.06738	0.9
69.07072	11.8
70.06587	1.0
71.04974	2.1
71.16940	1.9
72.14182	0.9
76.84753	1.0
79.05494	30.3
81.03416	48.7
81.07055	29.0
83.04977	2.6
83.08598	4.1
85.02898	1.3
85.06506	1.1
89.03400	0.9
89.03896	1.5
91.05483	38.8
93.07044	41.8
94.07859	1.0
95.04961	7.3
95.08609	27.2
97.02876	2.0
97.06520	2.7
103.05457	3.7
105.03382	1.3
105.07027	13.4
107.04951	2.3
107.08591	11.9
109.06495	2.2
109.09610	0.9
109.10167	10.0
114.90901	1.1
115.05424	2.1
117.03348	1.3
117.07027	6.0
119.08579	26.4
120.09326	1.4
121.06508	8.8
121.10137	10.6
123.04401	2.2
123.08050	3.1
123.11692	1.4
128.06194	1.2
129.07004	4.7
130.07787	1.2
131.04942	1.9
131.08560	6.6
133.02843	3.9
133.06508	1.0
133.10144	5.9
135.04396	3.3
135.08084	1.2
135.11702	5.1
137.09621	15.8
141.07024	2.0
143.04861	1.9
143.08586	1.6
145.02814	2.6
145.06523	2.1
145.10081	3.4
147.04405	3.8
147.08035	6.6
147.11674	2.6
148.08829	5.1
149.05977	1.2
149.09619	3.0
149.13249	3.2
153.06969	1.0
157.06500	1.4
157.10129	1.9
159.04427	12.4
159.11687	3.4
159.14215	0.9
161.02321	9.0
161.05974	2.6
161.13228	3.0
163.03908	53.7
163.14784	1.2
165.05457	5.6
165.06819	1.3
165.09103	12.0
167.08595	1.1
167.10719	1.1
169.06477	1.6
171.04329	1.9
173.02347	35.2
173.03859	1.7
173.05971	4.0
173.13290	1.9
175.03886	4.3
175.11235	1.1
175.14751	1.5
177.05499	1.1
178.07762	1.3
181.06607	2.0
183.04445	2.1
183.07959	1.5
183.10123	2.9
185.05934	1.4
185.13261	0.9
187.03906	21.6
187.14920	1.2
189.05435	3.1
191.03401	1.1
193.10101	3.1
193.12169	0.8
197.05931	2.3
197.09505	1.2
199.03903	21.1
201.05423	5.8
203.03300	0.9
205.04996	1.1
209.09625	2.1
211.07458	2.3
211.11133	1.7
212.04654	1.0
213.05472	6.2
215.03299	1.3
217.04942	1.9
221.09644	3.4
225.05461	4.0
225.09036	1.6
227.06982	1.6
229.04886	3.9
237.09077	2.9
239.07040	2.5
239.10632	14.0
239.12811	1.5
243.21039	1.8
253.08601	1.3
255.10133	6.6
259.20639	3.1
261.22223	5.6
263.10651	1.8
265.08606	3.6
267.10068	1.6
277.21646	2.2
281.11771	4.8
283.09613	13.8
283.13202	3.8
291.10135	4.9
299.12738	1.4
307.22687	1.4
309.11276	9.8
313.21622	1.5
327.12262	27.8
329.13821	5.9
333.24246	1.4
335.22067	1.9
335.25815	26.4
337.14099	1.5
345.13345	21.3
347.14752	3.7
383.14609	1.0
401.15958	85.5
402.16113	2.0
403.17459	4.5
419.16971	1.4
429.19122	4.7
500.34677	1.7
525.30963	1.1
535.18109	8.7
559.33862	1.2
569.32294	3.6
587.33618	8.0
605.34772	10.0
617.34320	1.0
619.36011	1.2
623.35175	1.1
637.36694	1.4
643.36017	4.6
651.28748	0.9
651.38629	5.7
661.37323	63.8
662.37158	2.4
679.38385	100.0
680.38190	2.8
795.38617	3.0
992.56036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	7.0
69.07081	20.7
71.05000	4.4
71.53413	3.0
71.53841	2.5
73.02925	7.3
74.58457	2.4
79.05501	69.4
81.03404	4.1
81.06592	4.8
81.07063	77.1
83.05011	3.5
83.08614	12.2
85.02908	19.5
85.06568	4.2
91.03961	12.6
91.05489	73.8
93.07047	84.9
93.07645	4.1
95.04977	8.2
95.08614	66.6
97.02897	7.0
97.06551	5.8
97.10172	6.5
99.08124	3.2
105.04509	3.3
105.07044	72.1
107.08590	40.9
109.02843	3.0
109.10162	26.8
111.08105	3.1
117.07028	22.8
119.08585	49.2
121.10145	38.5
123.08075	3.4
123.11704	7.5
127.03947	3.9
129.07013	11.5
131.08572	31.0
133.10152	46.9
135.11708	29.7
141.07021	3.3
143.08569	14.0
145.05000	4.9
145.10130	29.0
147.11700	37.9
149.13278	14.3
151.00435	2.2
155.08574	4.0
157.10155	12.7
159.11711	25.2
161.13284	25.2
163.06056	8.4
163.11229	2.3
163.14807	6.0
171.11662	13.3
173.13300	14.7
175.14804	14.2
177.12726	2.4
183.11751	4.3
185.13283	10.2
187.14828	5.1
197.13284	4.0
199.14854	5.8
201.16374	2.9
209.13275	3.4
211.14850	2.6
213.16481	2.9
231.21036	3.1
239.18153	3.5
241.19586	23.4
243.21123	4.3
257.19003	9.4
259.20618	53.6
261.22263	9.2
269.50455	2.2
301.73242	2.5
315.23376	4.4
331.22964	4.1
333.24268	46.3
335.25845	82.8
337.27368	6.7
446.28149	3.2
467.56683	2.9
519.41876	7.6
537.43060	4.7
589.24530	2.6
593.45190	15.6
604.86798	2.9
611.46790	100.0
701.48199	3.4
719.48505	3.5
737.49408	3.1
970.56439	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	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	6.7
69.07075	24.6
69.20164	1.6
69.20574	6.5
71.05002	4.7
73.02908	2.9
73.06559	0.9
77.03929	0.9
79.05498	59.1
81.03429	9.4
81.07063	75.0
83.04977	8.4
83.08624	12.2
85.02911	10.8
85.06545	4.0
86.09676	1.0
91.03961	3.7
91.04903	1.4
91.05487	49.0
93.07048	70.0
95.04978	8.7
95.08613	50.3
97.02901	8.1
97.06534	8.7
97.10173	7.5
99.04450	2.3
99.08082	2.3
103.03963	0.9
103.05476	2.0
105.04522	2.2
105.07037	33.6
107.04967	6.1
107.08599	43.6
109.02878	2.1
109.06507	4.7
109.10162	30.2
111.04391	1.1
111.08090	5.0
113.09679	1.2
115.05437	1.6
117.07019	16.6
119.08588	28.6
121.06502	3.1
121.10152	26.3
123.08063	3.0
123.11723	7.0
125.09632	5.6
127.03912	4.8
128.06245	1.6
129.05537	1.1
129.07019	6.4
130.07750	1.1
131.08583	21.8
133.06522	1.7
133.10143	23.8
134.64021	0.9
135.08015	3.0
135.11691	18.1
137.09593	3.1
137.13255	0.9
139.11072	1.0
141.07014	1.6
143.08588	6.1
144.09322	1.0
145.04956	2.4
145.09084	1.1
145.10144	16.8
147.08084	1.1
147.11693	11.7
149.09650	7.0
149.13278	12.4
151.11208	0.9
155.08560	2.8
157.10124	4.6
159.11691	14.7
161.09552	1.8
161.13275	7.9
163.11201	4.9
163.14828	2.8
165.12733	1.1
169.10097	2.8
171.11703	4.6
173.04456	2.4
173.09523	1.3
173.11804	2.1
173.13264	8.7
175.11195	1.8
175.14844	2.9
177.09196	0.9
177.12703	1.7
177.16243	1.0
179.14348	1.9
181.10139	1.7
183.11716	3.2
184.07330	3.6
185.13252	4.0
187.11203	1.0
187.14769	3.9
189.11261	2.4
189.16336	1.5
191.14323	1.0
195.13808	2.5
197.13246	2.3
199.14780	2.7
201.16483	1.4
203.14427	1.0
209.13286	1.3
215.17918	1.1
219.17465	1.6
227.12810	8.5
229.14319	9.7
239.17986	3.0
243.21065	3.5
247.20552	1.5
255.15858	4.0
257.19012	5.7
259.20486	3.1
260.80194	0.9
261.22180	10.3
267.15958	1.7
269.17502	12.5
275.20074	23.7
277.21558	1.2
291.19556	1.2
293.21179	2.5
309.20526	3.5
317.24637	2.8
331.22656	4.1
333.24298	2.6
335.25818	100.0
349.23761	26.0
351.25378	2.6
367.24850	3.3
405.25882	0.9
413.21515	1.4
419.24020	0.9
489.35846	10.9
505.35162	1.6
511.37564	1.0
515.37305	12.2
517.40320	0.9
529.38934	53.0
545.38812	1.0
569.41992	16.3
583.40228	0.9
591.43964	1.0
609.45178	45.6
610.45264	1.7
627.46338	13.9
649.39551	1.5
673.42993	2.1
691.45221	1.2
771.49451	2.7
842.05408	0.9
867.85876	1.0
986.56573	3.0
992.75830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	45.7
69.03430	7.7
69.07067	19.9
71.01342	1.3
71.04991	6.1
71.52112	1.1
71.52509	2.1
73.02895	2.7
77.03915	1.5
79.05494	48.4
80.38365	1.2
81.03419	76.2
81.07059	54.3
83.04982	11.0
83.08617	23.8
84.93901	1.2
85.02908	7.5
85.06532	3.8
87.04469	1.3
88.75030	1.0
91.03950	2.4
91.05482	48.7
93.07046	47.4
93.07639	1.7
95.01270	1.5
95.04973	27.5
95.08601	26.0
97.02892	8.4
97.06525	11.2
97.10168	17.9
97.37641	1.6
99.04436	1.9
99.08113	1.8
103.05471	1.8
105.07033	41.9
107.04961	12.3
107.08590	32.9
109.02842	2.0
109.06498	8.7
109.10147	13.4
111.04455	2.8
111.08095	9.4
113.09657	1.3
115.05459	2.8
117.07001	14.1
119.04981	1.4
119.08582	30.1
121.06507	10.1
121.10156	18.9
123.08075	5.8
123.11705	4.0
125.09634	16.3
127.03880	2.0
128.06210	3.9
129.07014	15.3
131.04916	1.8
131.08580	27.0
133.06491	5.6
133.10136	23.6
135.08054	6.1
135.11716	12.3
137.09630	5.4
141.06963	1.9
142.07779	3.3
143.08542	7.7
145.06485	4.5
145.10138	15.9
147.08014	7.4
147.11697	14.7
149.09628	14.7
149.13275	5.3
151.11192	3.5
153.09097	4.3
155.08621	3.3
157.10129	16.1
159.08044	3.0
159.11696	8.9
161.09682	3.0
161.13239	4.2
163.03943	1.9
163.11182	10.1
163.14749	1.3
165.09129	1.5
165.12718	3.7
167.08543	1.8
169.10127	4.5
171.10229	2.0
171.11694	4.4
171.41249	1.3
173.09570	2.6
173.11859	2.4
173.13290	4.1
175.11192	10.1
177.12776	4.8
179.14227	2.4
181.10103	1.6
183.11688	4.8
185.13306	3.6
187.11148	3.2
189.09256	1.4
189.11195	7.8
189.12762	2.6
193.12236	21.0
195.11826	1.4
195.13826	2.4
197.09566	1.2
197.13278	3.2
199.11099	1.4
201.12724	1.5
205.12172	2.2
207.13792	2.3
211.13164	2.9
213.12653	2.0
219.13795	1.8
223.13174	2.1
225.14609	1.6
227.12766	18.1
229.14224	5.6
239.14273	1.4
245.13861	2.9
249.14908	3.5
255.15875	5.8
257.19000	4.4
267.15915	73.4
269.17462	12.2
273.18488	1.8
275.20062	22.9
291.19534	3.7
293.21130	3.3
297.22202	1.9
299.20111	2.7
301.14285	3.8
315.23260	2.3
317.21326	1.7
341.21274	1.5
349.23761	28.2
367.24658	2.6
369.24237	2.4
373.23843	2.3
385.23615	2.1
403.24664	2.3
419.24442	2.1
421.25934	9.8
429.19916	1.3
429.26260	2.3
431.29453	2.1
435.27313	1.7
437.25183	2.8
443.28210	6.7
447.27390	28.9
449.30359	4.4
459.27478	5.0
461.29001	74.1
462.29486	1.5
467.31424	5.8
475.30298	1.5
477.28445	4.3
485.32751	2.3
489.28146	1.6
493.31760	9.2
501.31937	2.9
503.29874	1.7
519.33496	1.7
523.34137	7.7
541.35260	100.0
542.34851	1.6
554.22223	1.5
559.36328	45.5
569.30774	3.4
573.37408	3.7
581.28522	1.6
583.35907	3.4
587.31885	3.9
591.39343	6.7
605.32935	2.2
667.37720	3.7
685.38837	3.0
694.52887	1.7
703.40735	2.5
788.89728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.5
67.05510	63.4
69.03417	3.3
69.07073	13.4
70.10827	1.8
71.04980	3.3
71.08617	0.9
71.60120	0.7
73.02899	2.5
79.05498	44.1
81.03423	79.2
81.07062	64.2
83.04987	5.3
83.08154	1.3
83.08627	22.5
85.02911	9.1
85.06535	2.2
91.03946	6.4
91.05487	33.6
93.07049	46.5
95.04976	29.0
95.08614	45.2
97.02924	6.2
97.06536	5.1
97.10178	8.1
98.88223	0.8
99.08102	0.8
105.04526	1.1
105.07039	25.8
107.04970	6.5
107.07875	1.4
107.08602	29.3
109.02877	1.2
109.06528	5.2
109.10170	21.8
111.04437	2.1
111.08090	8.3
115.05450	2.2
117.06990	8.2
119.04971	0.8
119.08591	23.5
121.06504	4.6
121.10152	25.2
121.11035	1.2
123.04460	2.6
123.08081	3.2
123.11713	8.2
125.09663	5.8
127.03909	2.1
128.06168	0.9
129.07008	10.8
130.01743	0.8
131.08577	20.4
133.06531	3.5
133.10139	14.6
135.08046	2.8
135.11696	17.1
137.06062	0.9
137.09595	3.1
137.13277	1.9
139.11223	1.0
142.07816	2.2
143.08586	2.8
145.04948	3.0
145.06480	1.6
145.10129	11.4
147.04356	1.7
147.08051	3.7
147.11699	16.4
149.09650	5.7
149.13280	8.4
151.11179	1.1
153.09198	0.8
153.12770	0.8
155.08559	1.9
157.10121	12.8
159.11723	8.8
161.09679	0.9
161.13278	7.4
161.14499	1.1
163.05994	4.2
163.11205	2.8
163.14807	4.4
165.12778	1.9
169.10114	1.5
171.10275	1.0
171.11737	2.4
173.09642	1.1
173.13240	7.2
175.11200	8.3
175.14850	2.9
177.12801	1.0
177.16415	1.3
183.11702	1.1
185.13300	2.5
187.14848	3.8
187.80565	0.8
189.11223	3.3
189.12807	1.4
189.16389	1.0
191.14409	0.8
193.12265	21.8
197.13231	0.9
199.14830	1.6
201.16420	1.8
205.12285	1.0
205.15839	0.9
207.13885	1.0
211.13356	2.0
213.12611	0.8
219.17542	0.8
227.12776	7.2
231.13644	0.8
233.15469	1.1
235.13354	2.5
243.21132	5.7
247.17030	1.0
249.14876	2.6
259.13419	1.8
261.22150	23.6
267.15939	94.6
273.14944	2.0
279.23114	1.3
283.24026	0.7
301.14230	2.3
301.25198	6.4
303.23431	0.9
309.17102	5.2
317.24777	3.0
333.16840	1.4
335.25827	100.0
336.26297	1.2
375.18011	1.2
403.25427	1.0
417.26395	1.1
417.31503	1.2
421.25906	3.4
435.27515	3.7
435.32809	4.3
449.29077	1.7
453.33771	7.8
461.28732	1.3
463.30469	0.9
471.34793	4.8
509.36032	2.0
527.37366	81.3
528.37616	1.4
545.38409	89.3
546.38483	1.3
559.39862	3.3
569.38446	14.3
570.39832	0.9
577.40674	1.1
587.39258	3.2
593.38300	1.4
611.39270	2.6
623.39618	4.0
635.39264	5.7
653.40320	3.6
671.41492	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	933.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
67.05510	10.1
68.93169	0.6
69.03146	0.6
69.03436	8.1
69.07076	5.1
70.69672	1.1
70.70032	0.9
71.01366	0.8
71.05003	1.4
73.02922	7.3
79.05502	7.7
81.03426	3.6
81.07062	12.8
83.05002	1.0
83.08617	2.6
85.02911	17.3
86.16102	0.6
89.30383	0.6
91.03960	10.0
91.05484	8.9
93.07055	9.0
95.04986	2.1
95.08612	10.0
97.02898	15.1
97.06535	1.8
97.10184	1.3
99.04456	1.7
101.02393	2.6
103.05470	0.6
104.44643	0.7
105.07041	7.8
107.04961	0.7
107.08601	7.0
109.02909	1.0
109.06500	0.8
109.10174	4.8
111.08099	1.1
115.03967	1.2
115.05434	0.8
117.07027	4.4
119.08585	7.2
121.10171	3.1
123.08062	0.9
123.11742	0.9
125.09640	0.6
127.03934	5.0
128.06255	1.9
129.05542	0.9
129.07007	5.3
131.04843	0.6
131.08572	7.3
133.10139	6.3
135.11716	2.3
141.07004	4.0
143.08571	7.7
144.09282	0.7
145.04977	2.9
145.10143	6.9
147.11700	2.9
149.13254	0.9
155.08537	6.7
156.09412	1.1
157.10141	6.3
158.08386	0.9
159.11719	3.6
161.13272	2.2
163.06073	0.7
163.11235	0.6
165.07040	1.1
167.08553	2.9
168.09389	1.5
169.10133	7.4
171.11674	6.5
173.13289	3.0
175.14748	1.2
179.08669	1.1
181.10085	4.3
182.10831	0.8
183.11711	7.9
184.07338	0.9
185.13287	5.1
187.14865	2.5
193.10239	1.3
194.61684	0.6
195.11729	3.7
197.13275	4.8
199.14850	2.3
201.16420	1.2
207.11757	1.6
209.13263	4.8
211.14873	4.2
213.16431	1.7
219.11787	0.7
221.13313	2.4
223.14838	3.3
225.16437	2.5
227.17995	1.8
233.13232	0.8
235.14886	2.1
237.16412	2.3
239.17941	1.3
241.19623	1.1
247.14850	1.1
249.16492	0.7
251.18146	1.0
265.19662	0.8
267.21103	1.1
285.22144	0.8
297.22235	0.8
309.22208	0.8
313.21970	0.7
321.22302	0.7
335.25934	0.9
337.25397	0.9
339.23264	1.0
349.25327	1.0
351.27002	0.8
363.27151	0.9
457.14856	0.7
461.33887	0.8
499.39850	0.7
501.36142	1.0
513.35645	0.9
517.40454	2.3
535.41437	1.9
539.37238	1.9
541.38782	0.9
591.44458	4.7
607.43488	2.8
609.45172	100.0
610.45154	2.8
621.45142	2.3
633.44843	1.1
651.46198	1.3
693.47461	0.9
699.45721	1.4
717.47754	0.9
735.48303	2.8
753.48627	3.0
761.88922	0.7
771.50488	29.0
933.55951	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	926.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40776	1.3
67.05511	100.0
69.03420	6.1
69.07071	19.7
71.05009	3.0
71.53317	1.5
73.02918	9.8
74.07847	1.2
74.24657	1.2
79.05498	77.1
81.03446	2.9
81.07062	96.0
83.04982	2.7
83.08627	13.7
85.02911	36.5
85.06545	5.0
87.04476	2.5
91.03967	24.2
91.04907	1.9
91.05486	52.0
93.07050	98.4
95.04977	6.1
95.08614	73.8
97.02903	21.1
97.06540	6.8
97.10179	5.9
99.04478	2.7
99.08096	5.3
105.04546	3.5
105.07038	37.1
107.08604	45.4
109.06513	2.9
109.10159	40.2
111.08086	3.1
111.11752	2.5
115.03947	1.8
117.07036	16.2
119.07729	1.6
119.08588	30.2
121.10152	49.0
123.08060	2.8
123.11719	15.8
125.09673	2.2
127.03952	8.9
129.05499	1.7
129.07016	6.3
131.08582	26.8
133.10141	36.0
135.08147	1.3
135.10704	2.5
135.11702	34.8
137.09665	2.5
137.13275	4.2
143.08588	4.4
145.04982	14.8
145.10139	22.8
147.11694	25.6
149.09653	2.0
149.13258	19.6
157.10129	7.2
159.11710	20.7
161.13271	12.3
163.06036	17.5
163.11237	2.8
163.14827	4.7
169.10092	1.7
171.11708	7.1
173.13290	16.1
175.14902	6.7
177.12752	3.3
177.16438	2.5
185.13275	5.5
187.14825	7.9
189.16342	4.3
199.14850	1.7
201.16408	3.9
203.17987	2.5
205.19637	3.5
213.16394	8.8
215.17975	27.0
217.19623	4.4
231.17415	12.0
233.19025	21.7
235.20653	2.7
241.19554	2.6
243.21161	5.2
259.20584	8.7
261.22150	16.1
305.21048	7.6
307.22693	98.1
309.24258	13.7
310.30988	3.0
317.24655	3.4
333.24234	7.4
335.25830	93.6
337.27454	10.0
361.27255	2.1
362.89691	1.4
475.33667	2.3
475.39734	2.6
489.35883	2.0
493.40485	6.1
503.37885	1.5
515.36981	1.9
567.44208	34.3
585.45197	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	1.8
67.05511	35.9
69.03423	2.3
69.07070	10.4
69.20760	4.4
69.21184	4.3
71.04977	1.7
71.08636	17.4
73.02916	4.8
79.05074	1.5
79.05499	18.8
81.03398	1.2
81.07059	44.1
83.08634	9.7
85.02910	18.5
85.06525	1.0
85.10181	11.1
91.03952	9.8
91.05484	10.7
92.83615	0.9
93.07047	23.1
95.08614	38.5
97.02906	9.2
97.06521	1.5
97.10151	3.9
99.08092	1.7
103.07589	1.2
105.04546	1.0
105.07059	7.5
107.08603	15.7
109.09468	1.6
109.10156	18.4
111.11717	1.1
117.07036	3.2
119.08566	5.7
121.10156	14.5
123.11710	8.3
127.03933	4.5
131.08582	6.9
133.10118	6.6
135.11700	12.0
137.13239	2.7
145.04956	6.5
145.10165	4.8
147.11684	3.9
149.13258	7.0
159.11697	6.1
161.13243	3.5
163.06009	8.4
163.14824	3.3
173.13255	4.5
175.14850	2.2
177.16307	0.9
187.14870	2.4
239.23672	3.0
243.21083	9.2
248.56784	1.0
261.22171	38.1
313.27380	100.0
314.27570	1.9
317.24704	6.8
335.25812	85.4
336.26086	1.2
437.56671	1.0
485.38272	1.3
573.48828	46.4
574.48932	1.1
591.42645	1.0
591.49915	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	922.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.0
67.05508	63.7
69.03433	12.3
69.06741	1.2
69.07073	19.7
70.10789	4.5
71.01305	1.0
71.04984	4.7
71.08668	1.1
73.02917	7.8
79.05495	43.3
81.03419	79.1
81.07056	66.9
83.04987	7.4
83.08618	24.0
85.02907	61.0
85.06531	2.9
86.03236	7.9
91.03963	28.0
91.04899	2.2
91.05482	36.0
93.07047	47.2
95.04373	1.8
95.04964	29.0
95.08611	42.4
96.08935	1.4
97.02897	27.8
97.06528	7.0
97.10162	9.1
98.03217	2.4
99.04435	3.0
99.08090	3.1
105.04559	1.2
105.07039	29.6
107.04944	7.8
107.08588	29.0
109.02866	4.1
109.06516	5.6
109.10154	23.9
110.07136	3.3
111.04427	1.7
111.08107	7.7
111.11724	1.1
115.03946	2.4
115.05460	1.7
117.07009	9.2
119.08584	26.5
121.06495	4.5
121.10149	28.6
123.04411	2.5
123.08072	4.4
123.11694	8.4
125.09641	9.1
127.03933	17.1
128.04242	4.5
129.04369	1.9
129.07008	12.1
131.08566	23.1
133.06522	3.1
133.10133	16.8
135.08034	2.4
135.11690	14.1
137.09607	3.5
137.13203	1.4
139.11224	1.3
142.07758	2.7
143.08553	4.2
145.04959	27.4
145.06230	1.5
145.10109	15.7
146.05313	8.1
147.04355	1.3
147.05437	1.5
147.08029	4.1
147.11694	16.5
149.09621	6.1
149.13252	10.1
155.08540	1.7
157.10124	11.4
157.95921	1.0
159.11723	10.6
161.13249	13.9
162.13571	3.0
163.04739	2.2
163.06027	31.0
163.11160	3.9
163.14798	4.7
164.06369	5.3
165.06461	2.4
165.12781	3.8
169.10103	2.3
171.11676	5.2
173.13258	7.8
175.11185	9.7
175.14830	3.8
177.16464	1.6
179.14365	1.6
181.94896	1.1
183.11757	1.9
185.13263	3.1
187.14796	4.8
189.11201	3.6
189.12762	1.8
191.14388	1.0
192.71260	1.2
193.12260	22.0
195.13704	1.3
199.14841	2.0
201.16377	1.6
206.48683	1.0
207.13791	1.3
211.13229	1.9
213.16328	1.1
215.17953	1.8
227.12767	8.4
233.01056	1.2
233.22838	1.2
235.13354	2.7
241.14224	1.3
243.21227	6.3
249.14786	2.7
255.21091	8.6
256.21423	5.2
257.21722	2.1
259.13339	1.4
261.22150	22.3
267.15921	94.2
268.16418	1.4
271.20651	1.2
273.22122	7.5
274.22498	5.3
275.22742	1.4
279.23093	2.0
285.16882	2.1
285.22217	1.5
285.25732	1.3
301.25272	5.7
309.16870	4.4
317.24854	3.2
325.11288	4.1
326.11606	2.3
335.25806	88.1
336.25967	1.9
363.25223	1.2
367.02280	1.1
399.32587	5.8
400.32996	8.7
401.33087	4.7
414.31854	1.1
417.26297	1.4
417.33762	12.7
418.33990	16.0
419.34326	9.5
421.25937	2.7
435.27454	2.5
435.32523	5.1
449.28500	1.3
453.33679	8.7
471.34821	5.4
475.30362	1.7
509.36041	3.2
527.37354	72.4
528.38208	1.4
545.38385	100.0
561.37823	1.4
563.39081	7.8
569.38580	6.4
581.39124	1.3
587.38812	3.2
606.10785	1.2
611.39392	2.4
623.38904	3.2
635.39081	3.1
653.39990	1.9
660.34631	1.4
671.41376	3.5
689.42255	1.7
696.47833	2.9
727.39331	1.2
922.48193	14.1
922.96710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.2
66.45188	1.0
67.05511	46.1
69.03419	2.5
69.07071	6.5
69.16215	10.3
70.16638	1.1
71.04998	12.2
73.02908	3.0
79.05501	24.5
81.03416	1.8
81.07063	64.6
83.04974	4.3
83.08631	5.9
85.02914	8.3
85.06555	5.0
87.04457	0.9
91.03947	4.3
91.04982	1.3
91.05495	16.9
93.07053	30.2
95.04977	2.3
95.08070	1.5
95.08617	19.3
97.02906	5.0
97.06524	4.4
97.10182	2.9
98.20730	1.8
99.08118	1.3
103.08730	1.0
105.07046	11.5
107.08591	15.5
109.06490	1.9
109.10156	11.8
111.08095	1.5
117.07005	2.8
119.08588	6.9
121.10144	13.0
123.11728	11.8
127.03939	1.6
131.08565	6.1
133.10156	16.3
135.11731	8.5
136.06142	1.2
145.05061	1.8
145.10100	3.4
147.11702	2.4
149.13234	4.9
151.11189	4.9
159.11781	4.6
161.13208	2.0
163.06001	2.4
163.14803	1.0
173.13245	1.7
175.14761	1.2
183.13670	1.6
187.13344	2.3
187.14818	1.1
195.13741	1.8
229.14345	2.3
241.17694	1.1
257.17279	1.9
259.20444	1.0
261.22018	1.6
269.17465	5.2
301.20108	11.0
335.25833	19.3
385.15869	1.3
437.34299	1.3
485.36169	1.7
503.37347	58.5
511.37311	1.2
514.66522	1.2
517.38794	2.0
529.38940	16.5
547.40186	1.9
561.41547	100.0
562.41443	1.2
673.43390	1.2
705.45453	2.1
788.61517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41911	0.4
67.05502	2.9
69.03429	12.7
69.07070	10.3
70.93938	0.7
71.05002	2.1
73.02505	0.7
73.02916	12.3
73.06551	1.2
79.05479	1.7
81.03423	6.1
81.07053	4.8
83.01343	0.4
83.08616	1.2
85.02905	100.0
87.04467	1.8
91.03956	38.5
91.05475	1.6
93.07037	2.8
95.04980	0.6
95.08608	4.1
97.02893	35.6
97.06526	2.2
97.10184	0.7
99.04459	5.2
99.08091	0.9
101.02341	0.6
103.03937	1.8
105.07024	4.2
107.08589	4.3
109.02883	6.5
109.06492	0.5
109.10168	2.5
115.03928	2.1
115.07590	2.3
117.05495	0.4
117.07040	0.8
119.08587	2.8
121.10152	4.0
123.11701	1.0
125.08758	0.6
125.09624	4.8
127.03919	31.2
127.11182	0.9
131.08540	1.7
133.10133	2.8
135.11678	3.3
137.13242	0.4
143.08549	0.6
145.04959	59.2
145.10110	3.7
147.11676	5.1
149.09750	0.4
149.13246	2.1
151.11169	0.6
157.10143	0.6
159.11678	3.6
161.13254	18.0
163.06015	64.4
163.11182	1.0
163.14813	0.6
173.13269	3.0
175.14835	1.3
177.16373	0.7
181.12161	0.6
185.13228	0.6
187.14841	0.9
189.16441	0.5
199.14853	1.3
201.16478	0.6
203.17973	0.9
204.08678	1.3
209.11603	0.5
212.82184	0.3
213.16438	0.9
215.17972	1.4
217.19557	0.9
253.19456	0.5
255.21072	27.4
265.50000	0.4
271.08118	1.1
273.22128	27.3
283.15381	1.1
285.25739	5.2
289.09128	2.4
301.16357	0.8
307.10114	0.4
316.90482	0.4
325.11301	14.1
335.25787	1.6
381.31500	2.9
399.32584	40.6
400.32764	0.5
415.32108	1.0
417.33640	64.1
418.33844	1.2
435.27716	0.6
543.36597	1.9
545.30151	0.4
561.37769	1.4
579.38965	4.7
774.61096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.9
69.03442	2.4
69.07059	0.6
71.01351	0.6
71.04992	0.9
71.08643	1.2
71.53702	0.6
73.02916	3.1
79.05492	1.3
81.03430	2.6
81.07067	1.7
83.08608	0.9
85.02895	3.7
85.10204	0.8
87.04505	0.5
88.22337	0.4
91.03958	2.3
91.05492	1.5
93.07037	0.9
95.04963	0.9
95.08630	1.3
97.02894	4.5
99.04473	0.7
100.62827	0.4
101.02412	0.9
105.07044	1.0
109.02875	0.9
109.10161	0.5
119.08590	0.5
121.10163	0.7
127.03936	1.1
129.07016	0.5
131.08601	0.4
147.11771	0.6
149.09669	0.5
157.10138	0.6
160.11200	0.4
185.04263	0.8
193.12334	1.1
197.15338	0.4
203.05244	0.7
243.08479	1.6
267.16095	0.7
283.15067	2.0
313.27594	1.1
339.17996	0.8
347.09576	2.2
363.09299	0.5
365.10687	0.6
405.13708	4.8
436.31174	0.4
473.59790	0.5
476.23392	0.5
497.30969	4.8
501.23160	9.5
659.36115	5.6
663.28308	9.4
757.47614	3.0
919.52380	100.0
920.52234	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	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.6
67.05506	11.8
69.03429	1.7
69.07072	6.0
70.96753	0.6
71.01338	0.3
71.04985	1.2
71.08634	17.7
73.02908	1.2
79.05066	0.5
79.05496	6.3
81.03420	49.8
81.07057	14.6
82.55333	0.3
83.04987	2.6
83.08623	16.9
85.02910	5.3
85.06544	0.8
85.10186	10.7
87.04485	0.5
89.06027	0.9
91.03955	3.0
91.05482	8.6
93.07051	4.6
95.04968	15.1
95.08608	14.3
97.02882	3.7
97.06532	1.1
97.10171	4.9
99.08102	0.5
99.11742	0.6
103.07599	1.0
105.07031	7.0
107.04951	3.6
107.08586	2.7
109.02863	0.3
109.06518	1.7
109.10157	7.1
111.04456	1.6
111.08089	4.3
111.11700	0.7
115.03903	0.4
115.05507	0.7
117.07028	1.1
117.09143	0.4
119.04950	0.5
119.08578	7.8
121.06502	1.8
121.10155	4.1
123.04433	2.0
123.08080	0.9
123.11710	3.2
125.09626	0.8
125.13301	0.3
127.03918	1.2
129.07008	4.6
131.08571	4.5
133.06487	1.9
133.10132	2.6
135.08047	0.4
135.11702	1.0
137.05997	0.4
137.09621	0.9
137.13239	1.2
142.07800	1.5
145.04955	1.7
145.10112	1.1
147.04453	0.6
147.08058	2.0
147.11681	4.8
149.09621	3.3
151.14809	0.3
157.10144	5.6
159.11821	0.3
161.09662	0.4
163.06038	3.3
163.11200	1.5
165.12766	1.6
165.16377	0.4
171.11693	0.4
173.09657	0.5
175.11188	6.1
179.17857	0.3
187.11194	0.3
189.05525	0.4
193.12250	23.2
201.18678	0.4
205.12343	0.7
211.13356	1.4
221.22649	0.4
223.13524	0.4
232.32405	0.3
235.13249	1.3
239.23697	1.9
239.99963	0.3
249.14952	1.2
257.24802	2.2
259.13339	1.1
267.15921	100.0
268.16248	0.9
272.20151	0.4
273.14899	1.0
298.27496	0.3
301.14337	2.1
306.65802	0.3
309.16989	3.0
313.27368	97.2
314.27689	1.2
319.15640	0.5
333.16986	0.6
337.16452	0.5
362.22333	0.3
375.17911	0.7
376.24811	0.4
393.18878	0.4
411.20404	0.4
429.21323	0.3
505.38904	87.8
506.38940	1.4
523.39941	3.8
547.40015	6.5
555.40503	0.6
565.40802	0.6
589.40912	1.2
601.40918	3.0
613.41125	1.9
631.41998	2.5
649.42834	1.8
688.50488	0.4
914.52649	0.8
928.23492	0.3
934.75146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.415
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.2
69.03442	0.2
70.06595	12.3
72.08157	10.2
77.03915	0.4
78.28914	0.2
79.05489	0.4
81.03408	0.5
81.07063	0.4
82.06577	0.5
83.04971	0.3
84.04505	3.0
84.04974	0.3
84.08133	1.5
85.02892	0.3
85.04021	1.9
91.05482	2.0
93.07051	1.3
95.04967	0.5
97.02866	0.3
99.09194	0.9
103.05468	5.8
105.07061	0.9
110.06039	0.5
115.05433	1.4
117.05762	1.4
117.07038	0.5
118.06548	7.4
118.13066	0.2
119.08638	0.4
120.08107	87.1
121.08405	0.4
127.08692	2.0
129.07013	0.2
130.06528	100.0
131.06888	0.5
132.08095	14.3
139.08673	1.4
141.10265	0.2
142.06509	2.5
142.07550	0.3
143.07318	0.8
144.04489	0.3
144.08089	7.4
144.09236	0.4
145.07576	0.3
146.06013	27.9
147.06407	0.2
147.09195	0.3
154.06535	1.2
155.08232	0.3
156.08090	1.0
157.07623	0.4
158.06029	3.4
158.08379	0.4
159.09180	40.6
160.07600	1.7
160.09584	0.2
165.10263	3.2
168.06804	0.2
169.07614	10.7
170.06015	6.7
170.08211	0.3
171.09192	3.3
172.11212	0.2
173.07118	0.4
173.10646	0.2
174.12788	1.2
175.08690	0.8
177.10217	0.4
181.07703	1.3
181.09732	4.2
182.06027	0.9
182.08376	0.2
183.09151	1.7
184.07619	0.2
184.11226	0.6
186.08951	0.3
186.10300	0.6
187.08679	5.5
188.07068	62.5
189.07401	0.5
196.11191	0.3
197.07161	1.5
198.05498	0.6
198.07761	0.2
199.08742	1.8
199.12349	0.4
200.07303	0.2
201.13911	2.7
205.09726	56.0
206.10031	0.4
207.10107	0.2
208.10898	0.3
209.07214	0.3
209.09184	2.6
211.08708	0.7
211.12286	0.4
213.13803	0.2
214.09721	0.3
215.08165	7.2
216.11368	2.4
217.09738	0.2
217.13390	0.3
217.40205	0.2
219.14900	0.4
221.07101	0.2
222.12238	0.3
225.06602	0.7
225.13914	0.4
226.09850	0.6
227.11864	0.3
228.11366	0.2
229.13365	14.3
231.14987	0.5
232.10840	2.2
234.12799	0.2
236.10384	0.4
237.06633	0.2
239.08148	0.8
239.11742	0.2
241.13374	0.5
241.61374	0.2
243.07654	0.4
243.12445	0.3
244.10899	2.3
246.12885	0.3
251.11838	0.6
252.14877	0.3
253.13379	1.4
254.09314	0.4
256.10980	0.4
257.12851	36.6
258.13092	0.3
259.12073	0.2
259.14502	0.4
260.10370	0.2
262.11887	5.7
268.14392	0.9
269.12811	0.3
270.15979	0.5
272.10297	0.7
274.15479	0.5
280.14462	1.7
281.12878	2.7
282.08893	0.3
285.12335	15.3
286.15482	1.3
289.12918	2.1
290.11707	0.4
296.13965	0.8
297.12552	0.2
298.15540	0.4
300.09891	0.3
302.14987	3.4
302.18311	0.2
304.16748	0.3
308.14008	0.2
310.15552	0.3
311.13214	0.3
313.16907	0.3
314.11462	0.3
314.14981	3.8
316.16675	0.4
324.13403	0.8
325.16333	0.3
328.16556	0.8
332.16052	0.4
342.14490	3.2
355.17584	0.9
356.16016	1.3
359.17139	6.5
364.16766	0.9
371.17163	0.7
373.18823	1.4
383.17267	1.3
391.17395	0.3
399.16577	0.8
400.16086	0.3
404.19745	0.2
409.18726	2.1
411.16727	0.3
416.19254	0.3
419.17273	1.1
421.22141	0.3
428.19553	0.2
436.19720	0.6
443.20648	0.6
444.19000	0.4
449.21609	0.6
463.23669	0.4
472.23822	0.2
474.24918	0.8
482.23901	1.5
489.21216	0.7
500.22943	8.8
501.22101	0.2
502.24576	4.4
510.23624	1.7
518.23975	2.8
528.22412	6.0
535.26544	0.7
545.24988	0.5
546.23523	12.9
563.25879	0.4
564.24432	0.5
576.35492	0.2
629.30798	1.5
651.28833	0.3
657.29895	0.8
682.32623	0.3
686.32574	0.3
710.32349	0.8
714.31763	0.6
743.34741	0.3
771.34332	0.5
844.41125	0.3
872.39685	0.7
890.41669	1.2
918.41144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03878	1.3
67.05424	12.5
67.05823	1.3
69.03349	2.7
69.06989	3.7
70.06531	1.3
71.04908	2.6
71.05324	0.7
71.52513	0.7
71.52872	0.5
73.02879	0.8
73.95738	0.4
75.77501	0.4
79.05406	15.3
79.05907	1.2
81.03331	37.6
81.04092	1.3
81.06971	13.5
81.07482	1.0
83.04893	3.5
83.08533	12.5
83.09060	0.7
85.02908	3.4
85.06477	1.1
91.03867	1.7
91.05483	12.0
93.07047	10.3
93.07581	0.5
95.04975	16.0
95.08608	6.6
97.02895	2.4
97.06544	3.1
97.10178	12.9
98.21349	0.4
99.04424	0.5
99.08038	0.5
105.07045	9.7
105.07693	0.6
107.04967	12.2
107.08598	8.9
109.02814	0.6
109.06528	6.8
109.10171	4.2
111.04324	1.3
111.08088	4.4
113.05930	1.0
115.05395	1.1
117.07017	4.2
119.04853	0.9
119.08592	9.0
120.07989	0.5
121.06509	7.4
121.10146	7.3
123.04361	1.7
123.08089	3.4
123.11617	0.9
125.05937	0.6
125.09630	9.9
127.03806	1.0
128.06126	0.7
129.07010	6.4
131.04849	1.3
131.08568	8.0
133.06497	3.4
133.10127	5.1
133.31647	0.4
135.04343	0.6
135.08073	4.8
135.11591	1.7
136.06070	0.6
137.05928	0.9
137.09560	1.1
138.80888	0.4
139.11119	0.5
141.06891	1.7
142.07672	1.1
143.08545	2.3
143.10652	0.8
145.04869	0.6
145.06509	5.1
145.10123	3.4
147.04443	2.4
147.08040	4.1
147.11705	5.0
147.19928	0.5
149.05983	0.5
149.09622	4.5
151.07455	0.5
153.09116	3.2
155.08437	1.5
157.06395	1.7
157.10144	6.2
159.07962	1.6
159.11591	1.4
161.05896	1.6
161.09528	1.6
163.06020	0.8
163.07402	0.6
163.11166	3.8
165.06984	0.6
165.12659	1.6
167.07114	0.6
167.08467	0.9
167.10568	1.5
169.06482	0.5
169.10045	1.7
171.08054	2.7
171.10231	0.6
171.11641	2.3
173.05952	1.0
173.09515	1.5
173.11761	0.5
173.13182	1.6
175.07498	0.8
175.09843	0.5
175.11189	5.5
177.12663	1.3
181.06439	0.7
181.10074	1.2
183.08008	0.7
183.11623	0.9
185.09514	0.6
185.13181	1.3
187.07501	0.6
187.11066	1.4
187.14673	0.8
189.05473	0.6
189.11121	5.9
189.12708	1.3
191.10573	0.7
191.14211	1.2
193.10449	0.8
193.12254	14.1
195.11624	1.2
197.09476	0.9
197.13177	1.1
199.11125	1.9
199.13004	0.5
201.12605	1.0
203.14325	1.0
205.12137	1.8
207.11664	0.5
207.13757	0.6
209.13309	0.7
211.11104	1.1
211.13208	1.6
213.12685	1.4
215.14394	2.1
217.12177	1.6
219.13766	2.6
221.13382	0.6
223.11256	0.6
223.13214	1.7
225.12732	1.0
227.12698	1.8
227.14542	0.8
231.13712	1.3
233.15392	3.4
235.13206	1.8
237.12662	1.4
239.06882	0.5
239.14140	0.6
243.13760	0.6
245.15395	0.8
249.14769	1.7
251.14511	0.5
255.13751	1.6
259.13144	1.5
267.15936	43.9
269.15292	0.6
271.16891	1.0
273.14804	6.8
273.17438	0.8
275.16345	1.0
281.15295	0.7
283.16788	0.5
287.16147	0.6
289.14493	0.5
309.16995	1.0
321.22122	0.8
323.16333	0.6
331.20547	0.8
337.17227	0.5
339.23187	2.9
349.21686	5.0
357.24307	1.8
367.22659	12.2
385.23770	19.1
403.24863	5.4
415.32095	0.7
441.26318	10.2
450.12097	0.5
459.27448	96.0
460.27896	1.6
477.28516	100.0
478.28821	1.6
491.30063	13.2
501.28427	5.6
509.31137	6.0
513.28516	2.3
519.29510	1.1
531.29340	2.1
533.31171	0.6
541.34277	0.8
543.29578	1.7
555.29175	1.1
561.49115	0.6
567.29688	5.7
573.30902	0.6
585.30627	1.8
603.31354	1.3
621.32495	0.6
767.99426	0.6
910.94080	0.5
920.84906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	1.7
67.05508	32.4
69.03433	3.3
69.07074	10.1
70.26248	0.6
70.26611	1.2
71.04996	3.0
73.02922	2.9
79.05497	26.9
81.03423	41.0
81.07060	37.2
83.04987	9.0
83.08621	16.1
85.02910	24.3
85.06525	1.4
86.09663	0.5
87.04435	0.7
91.03960	7.2
91.05489	26.1
93.07047	27.4
93.51236	0.4
94.07320	0.5
95.04398	0.9
95.04974	16.4
95.08610	24.9
97.02318	0.5
97.02895	7.7
97.06532	3.3
97.10152	3.8
99.04433	1.1
99.08073	1.1
103.05496	0.6
105.04527	1.0
105.07039	19.0
107.04429	0.4
107.04963	3.8
107.07896	0.7
107.08595	14.6
108.36211	0.5
109.02826	1.0
109.06535	2.9
109.09485	0.7
109.10160	10.0
111.04412	1.7
111.07384	0.7
111.08084	8.2
113.05989	1.8
115.05393	1.4
117.07027	3.9
118.06554	0.6
119.08583	17.5
121.06471	1.4
121.10149	13.2
123.08083	2.3
123.11705	4.3
125.09608	1.4
127.03896	2.4
127.07528	0.6
129.07027	6.5
131.07596	0.7
131.08575	13.7
133.06473	1.7
133.09129	0.6
133.10136	11.9
135.08041	0.8
135.11694	6.5
137.09601	1.4
137.13239	0.9
137.24663	0.4
142.07745	1.4
143.08537	0.7
145.04958	4.0
145.10135	5.3
146.06065	0.6
147.08034	2.0
147.11694	13.6
149.09630	3.8
149.13284	3.2
151.11229	0.7
157.08795	0.6
157.10130	9.8
159.11679	3.3
161.13223	2.8
163.06021	4.8
163.11137	1.1
163.14781	1.4
165.12775	2.3
169.10080	0.7
171.11729	1.0
173.13275	3.0
175.11200	9.8
175.14865	0.8
177.12732	0.6
177.16417	0.5
181.09969	0.4
183.11699	0.8
184.07399	0.5
185.13264	1.0
187.14842	1.7
189.11237	0.8
192.06494	0.4
193.12253	30.6
196.39438	0.5
199.14751	0.6
201.16385	0.6
202.12276	0.5
211.13301	50.1
227.12778	1.5
229.14380	0.5
237.16295	0.5
243.21078	3.1
255.21053	0.7
261.22147	8.3
267.15924	14.7
269.17368	0.9
273.22125	1.5
274.22690	0.5
283.15302	0.6
285.16974	66.2
286.17252	0.6
291.19266	0.5
299.23633	0.6
301.25262	0.5
317.24686	1.6
335.25812	55.1
336.26074	0.7
417.33459	0.7
418.33987	1.1
435.27539	0.6
435.32599	2.4
453.33664	2.3
471.34723	1.6
509.36591	0.6
527.37384	15.7
545.38397	100.0
546.38678	2.0
563.39130	1.2
569.38293	0.6
603.53790	0.5
904.50513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05505	25.3
69.03424	2.7
69.07069	7.1
71.04985	2.4
71.08630	0.6
73.02915	1.0
79.05493	18.6
81.03417	27.9
81.07053	26.8
82.07390	0.8
83.04985	6.4
83.08614	9.8
85.02900	12.7
85.06554	1.0
91.03979	2.9
91.05481	15.5
93.07043	19.8
95.04975	11.5
95.08608	17.7
95.09177	1.1
96.08956	0.9
97.02893	4.2
97.06515	1.2
97.10157	3.0
98.21502	2.1
99.04446	0.8
105.07028	12.8
107.04959	3.0
107.08590	11.3
109.02840	0.6
109.06510	2.2
109.10157	6.7
110.86497	0.6
111.04463	1.9
111.08070	5.8
113.06004	1.3
115.05495	0.8
117.07007	2.6
119.08583	11.6
121.06523	1.4
121.10139	11.3
123.08072	1.5
123.11706	2.5
125.06053	0.6
125.09631	0.9
127.03955	1.1
127.26432	0.7
129.07014	3.8
131.08582	6.7
133.10138	7.2
135.08049	0.9
135.11700	6.8
136.06200	2.7
136.12108	0.8
137.09599	0.8
137.13304	0.8
142.07834	1.7
145.04933	0.8
145.10130	3.9
146.10492	0.6
147.08044	2.0
147.11688	9.0
149.09605	3.2
149.13248	1.7
151.11446	0.6
157.10133	6.2
159.11694	1.9
161.13264	1.8
163.06020	1.0
163.10010	0.7
163.11209	2.9
163.14902	0.7
164.11548	1.1
165.12755	1.8
173.13242	1.5
175.11188	7.2
187.14787	0.7
193.12250	19.0
211.13272	26.6
213.12300	0.6
227.12790	3.1
228.13132	1.3
243.21243	1.5
250.14264	0.7
261.22052	4.7
267.15851	7.7
283.15341	3.5
284.15768	2.7
285.16962	30.0
289.35446	0.7
317.24707	0.9
323.66678	0.6
324.18173	0.9
324.61801	0.6
335.25815	30.7
336.26184	3.1
337.26929	0.8
351.92175	0.7
387.25726	0.7
435.32880	1.4
453.33957	1.0
471.34549	1.2
527.37286	9.1
543.36719	1.5
544.37274	2.1
545.38354	100.0
546.38696	1.7
563.39301	0.7
678.46765	0.8
689.42407	0.9
809.47717	0.6
904.48816	2.3
905.50232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.7
67.05513	37.4
67.05859	1.2
69.03435	3.5
69.07075	9.2
71.05002	3.8
73.02934	2.5
79.05501	30.5
81.03428	32.8
81.07065	40.0
83.04989	8.9
83.08629	15.6
85.02915	22.2
85.06503	1.4
91.03975	5.0
91.05490	25.5
93.07053	30.5
95.04979	15.4
95.08617	26.1
95.84560	0.3
97.02321	0.4
97.02901	7.3
97.06538	4.2
97.10179	3.3
99.04437	0.8
99.08048	0.9
105.04475	1.4
105.07043	18.6
107.04967	3.6
107.08605	16.3
109.02827	0.7
109.06519	3.2
109.10164	10.2
111.04498	1.8
111.08088	6.4
113.05972	1.3
115.05439	1.0
117.07015	3.7
119.04925	0.4
119.08595	14.3
121.06470	1.5
121.10152	15.3
123.08093	2.1
123.11716	4.2
124.03457	0.4
125.05984	0.6
125.09605	1.6
127.03942	1.6
128.06174	0.3
129.05519	0.5
129.07018	6.0
131.08586	11.5
131.43414	0.4
133.06459	1.2
133.09126	0.6
133.10143	11.3
135.08064	0.6
135.11714	7.0
137.09622	1.6
137.13234	0.9
139.11156	0.5
142.07787	1.6
143.08516	1.0
145.04968	2.3
145.10132	5.5
145.16829	0.3
147.08061	2.1
147.11703	11.1
149.09650	3.7
149.13284	3.9
151.11159	0.8
157.10138	8.6
159.11702	3.4
161.13261	2.2
163.06062	2.2
163.11169	0.8
163.14798	1.4
165.12753	2.2
169.10037	0.5
171.11676	0.7
173.13264	2.9
175.09789	0.6
175.11218	7.9
175.14798	1.5
177.16367	0.5
181.10106	0.6
181.26938	0.3
183.11661	0.4
184.07294	0.5
187.14850	1.9
193.12265	23.8
193.48906	0.3
197.13229	0.6
199.14893	0.5
201.16335	0.8
203.17828	0.4
211.13304	30.8
227.12686	0.9
229.14281	0.6
233.22681	0.3
243.21100	2.6
249.14729	0.5
257.31711	0.4
259.20715	0.5
261.22147	7.9
263.96161	0.3
267.15948	9.3
269.17319	0.4
274.95697	0.4
283.15341	0.4
285.16986	40.7
299.23706	0.5
301.25320	0.9
307.22891	0.4
317.24670	2.0
335.25830	59.9
336.26208	1.1
359.26035	0.4
417.31406	0.5
435.32462	1.7
453.33655	1.4
471.34583	0.9
509.36115	0.8
527.37408	13.5
545.38422	100.0
546.38837	1.7
563.39307	1.0
689.41602	0.7
689.53503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.1
67.05505	6.7
68.56453	0.2
69.03431	24.9
69.07069	35.6
69.86614	0.8
70.06580	0.4
70.07419	0.2
71.01359	0.6
71.04993	3.1
73.02919	7.4
73.06558	5.6
74.09703	0.2
77.03938	0.4
79.05494	8.0
81.03419	13.2
81.07057	13.4
83.01346	1.2
83.04990	0.5
83.08623	2.2
84.02300	0.2
85.02905	93.8
85.06532	0.4
86.03222	0.3
87.04472	3.5
91.03956	22.8
91.05474	9.1
92.94806	0.2
93.07043	9.3
94.07359	0.2
95.04973	2.3
95.08607	10.0
97.02892	42.1
97.06529	8.3
97.10152	0.9
98.67489	0.2
99.04451	6.0
99.08104	0.6
101.02374	0.9
103.03931	0.9
103.05477	0.4
105.07030	23.0
106.07368	0.2
107.04978	1.5
107.08595	11.4
109.02877	8.9
109.06519	17.8
109.10154	7.0
111.04436	0.2
111.11735	0.4
113.09597	0.2
115.03947	2.7
115.07568	22.5
116.06222	0.3
117.05526	0.5
117.07011	4.8
119.08580	12.1
121.06528	0.5
121.10143	9.3
123.04440	0.4
123.08105	0.4
123.11704	2.3
125.05984	0.2
125.09624	2.1
127.03918	25.8
127.07561	0.4
127.11193	1.7
128.06207	0.4
129.05479	0.2
129.07016	1.2
130.07780	0.6
131.07581	0.4
131.08566	8.2
133.10132	10.6
135.08047	0.3
135.11690	6.6
135.12718	0.3
137.05983	0.3
137.09630	0.3
137.13271	0.5
139.07626	0.2
142.07764	0.2
143.08566	2.2
144.09325	0.5
145.04961	28.3
145.10124	15.8
145.12221	0.8
146.10670	0.2
147.11685	26.6
148.11995	0.3
149.06044	0.2
149.09641	0.8
149.13254	4.4
151.07568	0.4
151.11172	0.9
151.14832	0.5
155.08604	0.3
157.10127	2.0
159.10312	0.2
159.10649	0.2
159.11694	19.6
161.13252	60.6
162.13641	0.5
163.06015	20.6
163.11174	1.7
163.14775	1.4
165.09174	0.2
165.16411	0.2
165.42131	0.2
167.10678	14.2
169.10193	0.3
169.12251	0.5
171.11685	2.1
172.12473	0.2
173.13260	13.3
175.07559	0.2
175.14833	2.6
177.09157	0.2
177.16481	0.5
179.10683	0.3
181.12215	0.6
183.11723	0.4
183.58466	0.2
185.13255	3.5
186.14040	0.8
187.14835	2.8
187.16417	0.2
189.16415	1.3
191.18044	0.2
193.08614	0.3
197.11749	0.3
197.13318	0.5
199.14827	4.3
200.15556	0.2
201.16393	1.1
203.18002	0.6
207.06496	0.3
209.11734	0.5
211.09689	0.2
211.14885	0.2
213.16396	2.1
215.17899	0.9
217.15974	0.2
217.19550	0.2
221.11684	0.2
223.09593	0.2
225.16429	0.2
227.17929	0.9
229.19556	0.4
231.20909	0.2
240.18719	0.3
241.10797	0.2
241.19453	0.2
251.12794	0.2
253.19536	1.6
254.19948	0.6
255.21072	100.0
256.21384	1.3
257.22656	2.9
269.13928	0.7
269.22711	0.2
271.08167	0.3
271.20621	0.9
272.21014	0.3
273.22122	66.7
274.22577	1.0
283.24139	0.3
285.22513	0.2
285.25763	5.6
287.14957	0.3
289.09351	0.7
325.11188	1.5
358.69916	0.2
363.30524	0.2
367.08389	0.3
381.24274	0.3
381.31540	3.4
399.32590	9.4
415.32083	0.2
417.26617	1.9
417.33618	15.3
435.27426	13.1
495.63284	0.2
525.36206	0.4
529.12970	0.2
543.36926	0.8
561.37952	0.7
577.72858	0.2
579.30914	0.3
579.39001	2.3
597.32684	27.9
598.33008	0.4
721.41248	0.4
723.43201	0.6
737.41571	0.2
739.42413	0.4
741.44171	42.6
742.44464	0.8
782.96545	0.2
783.45087	0.3
819.43768	0.2
849.48334	0.2
867.46637	1.1
903.49445	9.4
904.48456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
67.05508	33.1
67.05846	1.2
69.03387	1.6
69.07076	8.1
70.57483	1.0
70.57814	0.6
71.04954	1.9
71.08589	1.7
71.61123	0.5
72.02641	0.4
73.02891	2.0
73.08656	0.4
78.16656	0.5
79.05496	28.8
81.03419	6.0
81.07059	33.4
81.07513	1.2
83.04992	2.3
83.08627	8.5
85.02915	3.2
85.06527	1.3
85.10143	0.7
91.03960	1.0
91.05483	14.3
92.09908	0.5
93.07047	35.4
95.04488	0.5
95.04959	6.0
95.08611	40.1
97.02893	4.0
97.06523	3.6
97.10180	2.4
98.20773	0.6
99.04470	2.7
99.08087	0.5
103.05404	0.6
105.04439	0.5
105.07036	10.9
107.04951	4.6
107.08595	26.7
109.06467	2.2
109.09486	0.7
109.10156	10.8
111.04417	1.1
111.08044	1.6
111.11678	0.5
113.09595	0.6
114.93413	0.5
117.07032	6.2
119.07832	0.7
119.08585	10.2
121.06515	3.2
121.10147	14.2
123.08019	1.0
123.11739	2.3
123.12463	0.5
125.05949	2.2
125.09543	0.5
127.03863	1.1
127.07535	0.9
129.07004	1.0
130.07751	1.2
131.08559	4.5
133.10129	5.7
135.08026	1.7
135.11697	34.4
136.06194	11.3
136.12007	0.6
137.09633	0.7
137.13193	0.6
139.07507	1.6
139.11176	0.8
143.08531	1.0
145.04871	0.7
145.10132	22.3
147.11705	3.2
149.09581	0.9
149.13222	2.8
151.93549	0.5
153.12750	0.5
159.11652	2.2
161.13216	1.4
162.66656	0.5
163.05981	0.8
163.11186	39.9
163.14804	1.6
173.13217	1.7
175.11278	0.5
175.14764	0.6
181.12239	7.7
187.14793	1.1
193.12181	1.3
209.11783	0.8
217.81998	0.5
227.12788	43.0
237.60667	0.5
243.21138	1.5
261.22098	7.3
266.16406	0.6
267.15845	3.5
268.16302	1.4
269.16544	1.1
283.15408	54.3
313.27426	3.0
314.27682	2.6
315.28128	1.4
317.06601	0.7
317.24783	1.7
335.25809	93.8
336.26227	1.6
438.23666	0.6
505.38611	0.9
506.39301	1.9
507.39508	2.0
543.36841	100.0
544.37189	2.0
561.37885	1.1
646.23975	0.6
658.45612	1.2
676.46588	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	903.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.6
67.05172	0.6
67.05500	5.7
68.84569	0.3
69.03429	24.0
69.07068	34.8
69.23129	0.6
69.23537	2.2
71.01359	0.5
71.04996	3.1
73.02916	7.4
73.06550	5.0
77.03926	0.4
79.05489	7.3
81.02932	0.5
81.03416	12.0
81.07056	13.5
83.01330	1.1
83.04983	0.4
83.08606	2.2
85.02903	90.6
85.06503	0.6
86.03258	0.4
86.99545	0.3
87.04472	3.5
91.03953	21.6
91.05476	8.0
93.06474	0.6
93.07041	8.2
95.04979	2.5
95.08602	10.8
97.02889	40.4
97.06526	9.5
97.10153	0.9
99.04452	5.8
99.08064	0.4
101.02370	1.3
103.03931	1.0
103.05508	0.4
105.07028	20.2
107.04967	1.2
107.08589	11.5
109.02872	9.3
109.06512	19.4
109.10146	6.8
115.03928	2.6
115.07567	22.7
117.05501	0.7
117.07009	4.2
119.08578	12.3
121.06514	0.3
121.10140	8.5
123.08091	0.5
123.11710	2.3
124.24164	0.3
125.09634	2.4
127.03918	23.3
127.07574	0.5
127.11189	1.9
129.07007	1.1
130.07787	0.3
131.08556	6.5
133.10132	9.3
135.11685	5.5
137.06021	0.3
137.09624	0.4
137.13269	0.6
141.09151	0.3
143.08572	2.0
145.04958	28.5
145.10120	15.1
145.11285	0.4
145.12148	0.5
147.11687	28.5
149.09616	0.9
149.13245	4.1
151.11128	0.8
151.14864	0.4
155.08630	0.4
157.10118	1.6
159.11690	18.7
160.12184	0.3
161.13251	61.5
162.13560	0.4
163.06012	21.0
163.11179	1.7
163.14795	0.9
165.07770	0.3
165.09149	0.3
167.10666	14.3
169.12260	0.5
171.11678	2.1
172.12468	0.4
173.13254	13.2
174.13684	0.3
175.14801	2.9
177.16454	0.4
179.10724	0.5
181.12238	0.5
185.13268	3.2
186.13995	0.5
187.14818	2.1
189.16418	1.3
197.11697	0.6
199.14816	4.0
200.15532	0.4
201.16434	1.1
201.28857	0.3
203.18124	0.7
207.06520	0.6
211.09651	0.4
213.16362	2.0
215.18056	1.1
217.15714	0.4
227.17982	1.1
229.19478	0.5
243.20987	0.3
253.19534	1.6
255.21069	100.0
256.21536	0.9
257.22629	3.2
267.21127	0.4
269.13956	1.0
271.20621	1.1
273.22113	67.4
274.22476	0.8
285.25735	6.0
287.14923	0.6
325.11313	1.8
363.30408	0.5
381.31577	3.3
399.32553	9.2
415.32678	0.3
417.26639	2.0
417.33609	15.5
418.34113	0.5
435.27411	14.0
446.88589	0.3
525.36304	0.3
543.36865	0.6
561.38019	0.8
579.38995	2.4
597.32672	30.8
598.33136	0.9
721.41083	0.5
741.44153	47.2
742.44611	1.2
867.47217	1.5
903.49420	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	902.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.5
67.05510	35.0
69.03410	2.6
69.07071	10.3
70.30721	2.7
71.04984	2.5
71.08627	3.8
73.02901	2.6
77.03951	0.9
79.05499	34.4
81.03426	11.5
81.07058	38.0
82.52704	0.8
83.04984	3.9
83.08620	11.7
85.02918	4.0
85.06531	0.9
85.10156	1.8
88.75855	0.9
91.03939	3.1
91.04926	0.9
91.05479	13.8
93.07047	46.9
95.04964	8.7
95.08613	46.3
96.05270	1.0
97.02891	5.9
97.06543	3.9
97.10168	2.5
99.04460	2.9
105.04501	1.0
105.07035	12.7
107.04954	7.5
107.07879	1.6
107.08600	32.9
109.02888	0.8
109.06538	1.9
109.10175	11.1
111.04439	1.4
111.08053	2.6
117.07018	9.6
119.08592	13.0
121.06551	4.8
121.10152	18.9
123.08036	1.4
123.11697	3.8
125.05972	2.5
130.07793	1.6
131.08574	5.4
133.10135	7.1
135.08115	1.8
135.11697	46.7
136.05159	1.8
136.06194	32.6
137.13214	0.8
139.07547	1.7
143.08522	1.3
145.10136	25.3
147.11676	3.2
149.13255	2.6
153.12819	1.2
157.10123	1.3
159.11676	2.9
161.13199	1.6
163.11189	54.8
163.14783	2.0
173.13266	2.0
181.12241	9.2
184.07358	1.0
187.14757	1.2
193.12256	3.3
209.11768	1.4
227.12787	59.4
243.21130	2.6
261.22177	7.5
267.15921	5.7
268.16187	2.8
283.15411	100.0
284.15860	1.2
313.27322	7.7
314.27670	5.6
315.27887	1.9
317.24750	2.7
335.25815	89.5
346.18597	1.3
368.09064	1.0
420.89780	0.8
453.78018	0.9
505.38904	2.9
506.38968	4.5
507.39349	3.6
543.36835	98.9
544.36975	2.3
561.37738	2.4
646.24036	1.0
658.45355	1.3
676.46497	12.5
789.75378	0.9
902.46619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
66.37579	0.9
67.05507	32.8
69.03433	2.5
69.07072	11.4
71.04993	2.4
71.08636	2.5
71.53297	1.1
72.08971	1.0
73.02929	2.7
74.31100	0.7
79.05494	29.3
81.03419	9.3
81.07058	36.5
83.04975	4.6
83.08617	10.5
83.60732	0.8
85.02903	5.5
85.06539	1.9
85.10172	2.3
91.03954	3.2
91.05483	14.7
93.07043	40.9
94.07374	1.0
95.04981	6.4
95.08609	44.0
97.02898	5.0
97.06544	4.9
97.10175	2.1
99.04460	3.3
99.08084	1.3
100.06117	0.9
104.88961	0.9
105.07032	10.6
107.04961	7.2
107.08601	28.2
109.06480	2.4
109.10169	10.9
111.08066	1.2
113.06001	0.9
117.07023	7.8
119.08589	13.1
121.06498	5.0
121.10153	17.2
123.11704	3.5
125.05966	2.1
127.03912	1.4
129.07063	1.3
130.07794	1.6
131.08557	4.8
133.10095	6.5
135.08052	2.0
135.11694	43.2
136.05157	2.0
136.06190	33.2
137.13252	1.9
139.07547	1.9
145.04967	1.4
145.10127	26.1
147.11707	2.9
149.09619	1.0
149.13274	2.6
155.08618	1.4
157.10187	1.2
159.11731	1.9
161.13252	1.8
163.06026	1.7
163.11185	52.0
163.14870	1.2
173.09561	0.8
173.13272	2.9
181.12242	10.2
193.12280	2.8
194.12524	1.5
209.11708	2.0
227.12781	62.4
243.20999	1.2
261.22198	7.2
267.15875	7.5
268.16364	3.4
269.16577	1.1
283.15408	100.0
284.15912	1.4
304.09793	0.8
313.27347	7.7
313.51321	0.8
314.27634	5.4
315.27957	2.6
317.24823	1.6
335.25815	86.0
346.18954	1.5
359.05203	0.9
469.32849	1.1
505.39154	2.6
506.39038	5.1
507.39749	4.7
525.51477	1.0
543.36835	95.3
544.36847	1.8
561.37555	1.9
646.23926	1.6
658.45117	2.0
676.46277	11.5
871.41895	1.0
902.47791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.7
65.27151	0.4
67.05506	7.8
69.03431	16.5
69.07069	34.2
70.06576	1.1
71.01345	1.3
71.04999	2.5
71.52431	0.5
72.37733	0.4
73.02916	7.6
73.06243	0.4
73.06561	4.7
79.05061	0.7
79.05493	7.8
81.03420	8.7
81.07056	14.1
82.92992	0.4
83.01329	0.6
83.04966	0.8
83.08625	2.0
84.04505	0.6
84.08167	0.5
85.02906	77.8
85.06514	0.6
86.09698	0.8
87.04475	2.3
91.03959	20.7
91.05476	8.8
93.07049	9.5
95.04948	1.8
95.08610	9.9
97.02892	41.4
97.06528	9.5
97.10165	0.5
99.04451	4.2
99.08081	2.9
101.02386	1.6
103.03956	1.1
105.07027	20.4
107.04941	0.7
107.08591	10.9
109.02876	5.8
109.06516	4.4
109.10158	10.0
111.04486	0.4
111.08060	0.5
113.02374	2.6
115.03934	5.4
115.07568	27.0
117.05477	0.7
117.07019	5.2
119.08585	11.1
121.10153	7.0
123.08091	0.7
123.11689	2.3
125.09621	4.1
127.03917	22.6
127.11185	2.8
128.06166	0.5
129.06992	1.7
129.10284	0.4
130.07738	1.2
131.08565	7.6
133.10138	9.8
135.11705	4.8
137.05945	0.5
139.11169	1.1
141.06920	0.4
143.03427	1.0
143.08563	3.7
144.09363	0.7
145.04961	28.5
145.10126	21.4
146.10634	0.4
147.11688	26.5
148.12073	0.6
149.13245	3.2
151.07591	0.5
151.11200	1.4
155.08504	0.9
157.10146	4.0
159.11702	19.2
161.04448	3.4
161.13252	55.5
163.06023	21.0
163.11230	1.1
163.14845	0.5
165.12794	0.4
167.10701	3.0
169.10165	0.8
169.12219	2.5
171.11684	3.3
172.12411	0.5
173.13274	11.9
175.14824	1.8
183.11745	0.6
185.13268	3.4
186.14029	0.9
187.14761	2.7
189.16473	0.7
197.13239	1.4
199.14813	3.1
201.16406	1.0
209.11771	1.3
211.14861	1.4
213.16438	2.5
215.17841	0.8
223.14798	0.5
225.16451	0.8
227.17941	1.3
237.16348	0.5
251.17963	0.5
253.19513	10.6
254.19821	0.9
255.21080	100.0
256.21494	0.7
257.19107	0.5
259.11838	0.6
269.19125	0.6
271.07959	0.5
271.20572	19.9
272.20816	0.5
273.22122	52.2
285.22510	0.6
285.25717	2.9
289.09213	0.9
299.23627	0.6
325.11212	1.8
327.05185	0.6
369.09909	0.9
379.30014	2.2
381.31650	1.6
397.31003	14.9
399.32559	4.0
415.32074	9.2
417.26361	1.3
417.33701	3.5
433.25644	0.5
435.27466	7.9
445.15033	1.2
446.87686	0.4
499.34073	0.5
523.34100	0.7
559.36523	1.4
565.42627	0.4
577.37170	1.8
597.32672	28.0
739.42316	0.6
741.43958	3.2
751.42584	0.9
883.45746	0.5
901.47852	25.6
902.47681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4796
Annotation	Neosibiricoside D
Peak:m/z	Relative Intensity
65.03938	0.4
67.05508	4.6
69.03432	17.5
69.07071	4.1
70.06584	0.5
70.28716	0.6
71.01357	0.4
71.04997	2.3
73.02918	3.0
75.63834	0.2
77.03956	0.3
79.05490	5.5
81.03419	6.9
81.07058	10.2
83.01347	0.7
83.04977	2.5
83.08633	1.2
85.02905	48.5
85.06545	1.7
86.03206	0.3
87.04475	2.4
91.03958	6.0
91.05479	6.5
91.06025	0.5
93.07052	7.6
95.04955	1.9
95.08605	6.3
97.02892	24.6
97.06540	2.9
97.10175	1.0
99.04453	3.6
99.08096	0.3
99.68210	0.3
101.02406	0.5
103.03956	0.7
103.05473	0.6
103.72775	0.2
105.07033	10.9
107.04932	0.6
107.08593	8.7
108.67845	0.3
109.02883	5.8
109.03609	0.5
109.06507	3.6
109.10155	4.2
111.04440	7.5
111.08099	0.6
111.11724	1.1
113.06010	2.4
113.09637	0.8
115.03941	1.5
117.05518	0.3
117.07005	1.6
119.08585	6.4
120.50134	0.2
121.06506	5.1
121.10146	7.1
123.08049	1.9
123.11715	1.4
125.05986	2.4
125.09631	4.5
127.03917	14.5
127.11227	0.9
128.06169	0.3
129.07028	1.1
130.07831	0.5
131.08588	4.2
131.09528	0.4
133.10130	5.3
135.08057	1.8
135.11694	3.2
137.09615	0.3
139.11191	5.2
140.28546	0.3
143.08580	1.1
144.09312	0.4
145.04961	12.5
145.10130	4.9
147.07961	0.4
147.11678	3.7
149.09618	2.5
149.13293	1.2
151.11218	0.7
153.12816	0.5
157.10132	2.0
159.11694	5.2
161.09656	0.3
161.13249	1.5
163.06024	5.9
163.11180	5.3
163.12518	0.3
163.14816	0.5
165.12766	1.1
167.10658	3.5
169.10175	0.3
169.12262	0.4
171.11658	1.4
173.13248	1.9
175.11232	0.3
175.14828	0.4
177.12804	1.0
179.14388	0.4
181.12225	4.8
183.11739	1.0
185.13283	0.8
187.14859	0.8
189.12807	0.5
195.11818	0.4
195.13783	0.3
197.13312	1.1
199.14894	0.6
201.16425	0.6
209.13426	0.3
211.14919	0.9
213.16379	2.9
214.61069	0.3
215.17957	14.3
216.18417	0.3
217.15826	0.3
223.14656	0.3
225.16469	0.4
227.18033	0.3
229.15987	0.3
229.19577	0.3
233.18991	1.3
239.17984	0.5
249.16629	0.3
251.18018	0.4
253.19565	3.5
255.21188	0.7
267.16068	0.7
268.16354	0.5
271.20557	2.7
273.22134	1.3
281.22726	0.8
299.15048	0.4
299.23819	1.1
317.24814	0.6
325.11374	1.1
379.29922	1.8
397.25732	0.5
397.31024	11.8
415.32080	27.0
416.32541	0.4
460.27432	0.3
475.27606	0.3
491.26599	0.4
492.26749	0.8
559.35962	0.6
577.37311	2.8
739.42651	1.4
883.47754	1.6
901.47900	100.0
902.48145	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	899.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12280	0.4
65.03929	1.3
67.05503	6.8
67.55054	0.4
69.03429	34.1
69.07069	5.7
71.01343	1.3
71.04996	4.7
73.02914	5.2
74.24629	0.4
75.63004	0.3
79.05490	10.4
81.03418	12.5
81.07053	28.7
83.01340	0.9
83.04973	4.3
83.08619	1.5
85.02903	85.7
85.06535	2.3
87.04466	4.0
91.03954	9.8
91.05479	10.3
91.06030	0.8
93.07042	12.1
95.04963	3.4
95.08605	11.7
97.02889	41.9
97.06525	5.1
97.10145	0.7
99.04456	6.7
99.08096	0.9
101.02382	1.2
103.03928	1.3
103.05425	0.5
105.07026	13.7
107.04964	1.1
107.08591	12.6
109.02874	9.8
109.06512	5.7
109.10159	5.6
111.04440	9.8
111.08096	0.8
113.05999	3.2
113.09656	1.4
115.03924	2.1
115.05445	0.8
117.07019	3.8
119.08582	7.9
121.06506	8.4
121.10138	9.1
123.04437	1.0
123.08083	3.7
123.11684	1.3
125.02271	0.4
125.05989	3.0
125.09624	11.7
127.03915	26.7
128.06203	1.9
129.07001	5.0
130.07797	0.8
131.08563	12.2
131.09538	0.7
133.10124	7.0
135.08052	3.5
135.11665	3.2
137.09618	0.8
137.13292	0.4
139.11186	9.8
139.12221	0.7
141.07007	1.3
142.07797	3.3
143.08556	7.3
144.09328	0.4
145.04956	27.4
145.10120	11.4
147.08052	0.4
147.11679	5.4
149.09618	4.4
149.13278	1.5
151.11205	1.4
153.12735	0.5
155.08557	3.0
156.09344	0.7
157.10123	17.0
159.08052	0.6
159.11687	6.9
161.09630	0.9
161.13277	1.7
163.04013	0.6
163.06017	13.2
163.11183	7.4
165.06963	0.4
165.09155	1.1
165.12741	3.1
167.08624	0.8
167.10675	5.7
169.10136	3.4
169.12248	1.5
170.10887	0.5
171.11691	8.5
173.09698	0.8
173.13261	2.0
175.11180	0.9
175.14838	0.6
177.12811	0.8
181.10214	1.4
181.12270	5.3
182.10901	1.1
183.11693	3.3
184.12445	0.6
185.09502	0.4
185.13271	3.0
187.11160	0.8
187.14856	1.4
189.12775	1.0
193.10291	0.4
193.12228	0.9
195.11720	2.8
195.13655	0.5
196.12509	1.0
197.13306	3.0
199.14836	1.8
201.16409	0.5
207.11748	0.5
209.11565	0.5
209.13255	2.5
211.14819	6.7
213.16379	25.5
215.14267	0.6
215.18050	1.1
217.04971	0.4
221.13275	0.5
223.14844	1.7
225.16347	1.0
227.18022	1.4
229.15836	2.0
229.19420	2.8
231.17526	1.7
235.14842	1.3
237.16428	1.5
239.17961	1.2
249.16679	0.5
251.17970	11.0
253.19603	1.1
269.19061	3.4
271.08218	0.7
271.20554	3.8
277.19656	0.5
279.21136	1.0
281.19183	0.6
287.20129	0.6
289.09207	0.8
295.20480	0.4
297.22043	2.4
309.22296	0.5
315.23160	0.8
325.11292	3.9
377.28430	6.2
395.29428	45.8
396.29984	0.8
413.30496	80.7
414.30994	1.4
455.31790	0.7
557.34399	1.3
575.35828	14.2
576.35480	0.5
737.40582	5.4
881.45538	2.3
899.46277	100.0
900.46906	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	887.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.3
69.03445	1.5
70.04248	0.6
70.04659	0.8
70.06575	0.5
70.87363	0.3
71.01326	0.5
71.04977	0.3
73.02916	1.6
79.05480	0.5
81.03428	3.5
81.07061	0.3
85.02920	1.7
86.09681	0.4
87.04444	0.5
91.05463	0.5
93.07040	0.5
95.04979	2.0
95.08590	0.3
97.02835	0.9
98.21489	0.4
99.04450	0.4
105.06998	0.7
107.04930	0.3
107.08587	0.4
109.02867	1.1
109.06569	0.3
115.05486	0.3
115.88577	0.3
119.08548	0.7
123.04420	3.2
123.08064	0.3
127.03874	0.9
137.09593	1.2
140.04649	0.4
143.04898	1.0
145.04852	0.3
147.04437	2.7
149.09636	0.4
153.05463	3.1
155.07037	2.1
155.36203	0.3
161.05975	1.3
167.06998	0.5
174.12843	0.3
175.03897	0.6
177.07014	0.3
181.04956	2.1
181.06389	0.6
183.06540	4.4
183.08127	0.5
189.05493	3.0
189.07016	0.5
189.12752	0.7
194.07336	0.5
195.08037	0.7
201.05458	0.3
203.03416	16.7
204.05792	0.3
205.06517	3.7
207.08080	0.4
207.13753	0.5
208.05301	0.5
209.06001	0.6
209.40318	0.4
210.06950	0.4
213.05550	0.3
221.06003	1.4
222.06879	1.6
223.07571	3.0
225.05463	0.3
227.07143	0.3
231.02866	2.0
233.06012	3.7
234.06746	1.4
235.07541	0.8
236.04681	0.9
237.05463	1.2
238.06111	0.6
240.07558	0.3
241.74570	0.3
247.07463	0.3
248.04764	0.3
249.05515	1.7
250.06277	16.2
251.07039	3.4
252.07809	0.4
253.04901	0.8
253.08670	0.6
254.05760	0.6
260.04709	0.4
261.05481	1.0
262.06287	3.2
263.06985	0.5
264.04181	1.0
265.04971	2.1
265.08881	0.3
266.05765	1.6
267.06613	0.6
267.15973	0.4
269.08115	0.5
277.04968	1.9
278.05762	34.1
279.06522	9.7
280.07297	0.9
281.04440	5.1
281.08032	1.3
282.05161	3.5
283.06113	0.5
289.04880	0.5
291.02875	0.6
291.08679	0.7
292.03705	0.4
293.04440	1.0
293.08090	1.1
294.05194	2.3
295.06033	25.5
296.06772	1.7
298.08258	0.7
299.07666	0.7
306.05246	12.7
306.08786	0.6
307.06024	9.5
308.06769	1.8
309.03955	2.9
309.07520	1.3
310.04745	4.6
311.05704	0.6
311.09119	1.8
312.09915	0.8
313.10754	1.1
315.08524	1.6
321.03937	1.1
321.07620	1.8
323.05569	10.6
323.09109	1.8
324.06299	16.6
325.07025	2.3
327.10815	6.3
328.05902	0.6
334.04706	0.9
335.05527	0.4
339.08655	100.0
340.09015	1.8
341.10269	9.5
343.04285	0.6
343.08154	7.4
347.03928	0.9
347.07660	2.2
349.07098	1.9
351.04974	0.6
352.05731	1.5
353.06287	0.4
367.08145	83.0
368.08487	1.6
383.07178	0.3
385.09216	1.7
389.10712	0.4
441.33829	0.3
459.27759	0.6
483.08847	2.4
491.08133	0.8
493.11227	1.1
501.10294	38.3
502.10608	0.7
511.12347	1.0
529.13586	2.7
573.20935	0.7
627.13568	0.5
645.14673	3.3
663.15662	1.4
870.42847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.3
69.03445	1.5
70.04248	0.6
70.04659	0.8
70.06575	0.5
70.87363	0.3
71.01326	0.5
71.04977	0.3
73.02916	1.6
79.05480	0.5
81.03428	3.5
81.07061	0.3
85.02920	1.7
86.09681	0.4
87.04444	0.5
91.05463	0.5
93.07040	0.5
95.04979	2.0
95.08590	0.3
97.02835	0.9
98.21489	0.4
99.04450	0.4
105.06998	0.7
107.04930	0.3
107.08587	0.4
109.02867	1.1
109.06569	0.3
115.05486	0.3
115.88577	0.3
119.08548	0.7
123.04420	3.2
123.08064	0.3
127.03874	0.9
137.09593	1.2
140.04649	0.4
143.04898	1.0
145.04852	0.3
147.04437	2.7
149.09636	0.4
153.05463	3.1
155.07037	2.1
155.36203	0.3
161.05975	1.3
167.06998	0.5
174.12843	0.3
175.03897	0.6
177.07014	0.3
181.04956	2.1
181.06389	0.6
183.06540	4.4
183.08127	0.5
189.05493	3.0
189.07016	0.5
189.12752	0.7
194.07336	0.5
195.08037	0.7
201.05458	0.3
203.03416	16.7
204.05792	0.3
205.06517	3.7
207.08080	0.4
207.13753	0.5
208.05301	0.5
209.06001	0.6
209.40318	0.4
210.06950	0.4
213.05550	0.3
221.06003	1.4
222.06879	1.6
223.07571	3.0
225.05463	0.3
227.07143	0.3
231.02866	2.0
233.06012	3.7
234.06746	1.4
235.07541	0.8
236.04681	0.9
237.05463	1.2
238.06111	0.6
240.07558	0.3
241.74570	0.3
247.07463	0.3
248.04764	0.3
249.05515	1.7
250.06277	16.2
251.07039	3.4
252.07809	0.4
253.04901	0.8
253.08670	0.6
254.05760	0.6
260.04709	0.4
261.05481	1.0
262.06287	3.2
263.06985	0.5
264.04181	1.0
265.04971	2.1
265.08881	0.3
266.05765	1.6
267.06613	0.6
267.15973	0.4
269.08115	0.5
277.04968	1.9
278.05762	34.1
279.06522	9.7
280.07297	0.9
281.04440	5.1
281.08032	1.3
282.05161	3.5
283.06113	0.5
289.04880	0.5
291.02875	0.6
291.08679	0.7
292.03705	0.4
293.04440	1.0
293.08090	1.1
294.05194	2.3
295.06033	25.5
296.06772	1.7
298.08258	0.7
299.07666	0.7
306.05246	12.7
306.08786	0.6
307.06024	9.5
308.06769	1.8
309.03955	2.9
309.07520	1.3
310.04745	4.6
311.05704	0.6
311.09119	1.8
312.09915	0.8
313.10754	1.1
315.08524	1.6
321.03937	1.1
321.07620	1.8
323.05569	10.6
323.09109	1.8
324.06299	16.6
325.07025	2.3
327.10815	6.3
328.05902	0.6
334.04706	0.9
335.05527	0.4
339.08655	100.0
340.09015	1.8
341.10269	9.5
343.04285	0.6
343.08154	7.4
347.03928	0.9
347.07660	2.2
349.07098	1.9
351.04974	0.6
352.05731	1.5
353.06287	0.4
367.08145	83.0
368.08487	1.6
383.07178	0.3
385.09216	1.7
389.10712	0.4
441.33829	0.3
459.27759	0.6
483.08847	2.4
491.08133	0.8
493.11227	1.1
501.10294	38.3
502.10608	0.7
511.12347	1.0
529.13586	2.7
573.20935	0.7
627.13568	0.5
645.14673	3.3
663.15662	1.4
870.42847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.9
67.05510	14.7
69.03436	3.4
69.07071	8.1
69.51538	1.5
69.51950	1.0
71.05014	2.0
71.08636	16.2
73.02911	2.5
73.06579	0.3
79.05501	11.8
80.07735	0.3
81.03423	36.2
81.07062	22.3
83.04992	8.1
83.05478	0.8
83.08627	18.0
85.02911	21.0
85.06506	1.0
85.10189	9.8
86.09711	0.5
87.04461	0.9
89.06023	0.8
91.03970	5.7
91.05488	15.3
93.06503	0.5
93.07054	8.4
95.04976	14.3
95.08613	16.5
97.02310	0.5
97.02898	8.0
97.03513	0.5
97.06526	2.3
97.10184	5.6
98.20760	0.6
99.04452	0.8
99.08118	0.8
99.11708	0.5
103.03963	0.4
103.07590	0.4
105.07040	11.4
107.04302	0.4
107.04973	4.1
107.08598	3.9
109.02895	0.7
109.06528	2.1
109.09499	0.4
109.10175	7.2
111.04412	1.6
111.07405	0.4
111.08092	7.3
111.11658	0.9
113.05961	1.2
115.03922	0.4
115.05440	1.1
115.07533	1.0
116.45547	0.3
117.07014	1.0
119.04926	0.6
119.08591	9.1
121.06502	0.9
121.10155	5.2
123.08057	1.3
123.11700	3.1
125.09589	1.1
125.13200	0.4
127.03918	2.4
128.06303	0.4
129.07021	5.2
131.08583	6.6
133.06480	1.6
133.10136	6.5
135.11697	0.7
137.09602	1.0
137.13258	1.0
142.07785	1.7
143.07076	0.6
145.04951	2.2
145.10109	1.5
147.08038	2.2
147.11699	9.2
149.09630	3.4
151.11217	0.6
157.08981	0.5
157.10152	7.5
163.06007	3.5
163.11171	0.5
165.12715	2.3
175.11197	9.5
175.12746	0.5
184.07358	0.9
193.10419	0.7
193.12253	28.0
211.13306	39.5
239.23703	1.3
243.12350	0.5
257.24747	1.2
267.15927	17.6
280.86417	0.3
285.16986	59.7
307.34787	0.4
313.27386	62.3
314.27740	0.8
420.00284	0.4
505.31415	0.8
505.38931	15.7
523.39984	100.0
524.40289	1.4
898.78839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65538	0.5
65.03945	1.1
67.05507	13.5
69.03428	2.4
69.06737	0.7
69.07072	7.2
71.04987	2.1
71.08237	0.9
71.08633	15.5
71.52155	0.7
71.52526	0.7
73.02905	2.0
79.05498	8.8
81.03421	22.4
81.06593	1.0
81.07056	16.3
83.04984	5.2
83.08618	13.6
85.02908	13.7
85.06544	1.6
85.10184	9.8
86.09720	0.8
87.04466	0.9
89.06036	1.2
91.03973	4.3
91.05488	10.7
93.07034	6.4
95.04978	9.5
95.08609	13.6
97.02887	4.8
97.06511	1.6
97.10176	4.6
99.08101	1.0
103.07587	0.7
105.07042	8.3
107.04974	2.9
107.08599	2.5
109.06532	1.8
109.10156	6.5
111.04435	0.8
111.08089	4.0
111.11727	0.7
113.06040	1.1
117.07035	0.8
119.08595	6.9
121.06516	1.0
121.10136	4.9
123.08055	1.2
123.11698	2.8
127.03921	1.7
129.07019	2.9
131.08563	4.5
133.06467	1.2
133.10132	5.7
137.09665	0.7
137.13210	0.9
142.07761	1.3
145.04967	2.1
145.10120	1.1
147.08090	1.4
147.11697	5.9
149.09624	2.2
157.10132	5.9
163.06071	1.9
165.12688	1.2
175.11214	6.1
184.07343	2.7
193.12241	17.0
211.13310	21.0
217.35092	0.6
239.23708	1.6
257.24731	1.6
267.15900	12.2
267.18619	0.8
285.16977	30.3
313.27374	63.1
314.27637	0.8
344.99356	0.7
431.09570	0.6
505.31384	0.9
505.38870	17.0
506.38791	0.9
523.39960	100.0
524.40509	2.7
545.94250	0.5
667.44586	1.0
882.46539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.6
67.05510	8.4
69.03424	1.5
69.06721	0.8
69.07075	8.1
69.93995	1.2
69.94411	1.2
71.04996	1.4
71.08641	9.9
73.02914	1.7
79.05493	4.8
81.03425	22.2
81.07065	12.5
83.04990	4.8
83.08150	0.9
83.08624	12.1
85.02913	13.1
85.06546	1.3
85.10184	6.1
87.04463	0.6
87.08117	6.3
88.41809	0.4
89.06052	0.5
91.03961	2.3
91.05490	7.5
93.07044	4.5
95.04971	9.1
95.08617	10.4
97.02908	4.3
97.06538	1.4
97.10159	3.7
99.04472	1.1
99.11739	0.7
105.07041	6.4
107.04967	1.3
107.08624	2.7
109.02883	1.6
109.06548	1.6
109.10172	4.0
111.04456	2.0
111.08081	4.4
111.11775	0.7
113.06032	0.9
119.08578	4.9
121.06567	0.6
121.10160	2.5
123.08114	1.0
123.11729	1.7
125.00006	0.5
125.09648	0.8
127.03931	5.1
129.07005	2.4
131.08560	4.2
133.06512	1.0
133.10121	4.0
135.11679	1.1
137.13330	0.7
145.05002	1.8
145.10115	0.7
147.08073	1.3
147.11703	6.0
149.09651	2.3
157.10146	4.7
163.06032	1.5
163.11198	0.9
165.12726	1.5
173.15373	2.7
175.11185	7.4
184.07358	1.2
193.12263	20.9
201.52229	0.5
211.13303	25.0
227.12807	0.5
229.14427	2.9
239.23740	1.3
241.10854	0.9
257.24863	0.8
267.15942	10.6
267.18634	0.9
283.15475	1.8
284.15720	0.7
285.16992	23.5
285.59244	0.5
313.27399	33.4
314.27728	1.5
355.17648	1.7
373.18439	1.1
391.19867	0.8
429.21420	0.9
469.24451	0.8
505.26657	0.9
505.38913	8.5
505.45923	0.7
521.37988	1.2
522.38666	1.0
523.39978	100.0
524.40338	2.0
635.74597	0.6
860.85626	0.6
882.55365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.5
67.05509	17.8
69.03439	3.8
69.07072	5.2
69.32211	3.3
70.06594	2.0
71.01347	0.6
71.04995	3.0
72.08149	1.2
73.02900	1.1
79.05498	17.6
81.03421	80.3
81.07056	19.2
82.03752	0.6
83.04986	8.4
83.08623	18.7
84.08144	1.2
85.02505	0.4
85.02906	13.0
85.06535	1.4
86.09709	1.6
91.03961	2.1
91.05486	22.9
93.07050	12.5
95.04974	27.5
95.08611	8.0
97.02897	4.4
97.06563	3.2
97.10185	5.3
99.04471	0.6
99.08113	0.9
103.03978	0.5
103.05484	0.6
105.04500	0.7
105.07035	18.0
107.04959	8.0
107.08593	6.8
109.02860	0.4
109.06528	4.9
109.10155	4.0
111.04456	2.9
111.08089	7.5
113.06044	1.2
115.05473	1.5
116.06186	0.4
117.07022	3.7
119.04966	1.3
119.08591	15.9
119.91039	0.4
120.08119	0.6
121.02882	0.4
121.06496	4.2
121.10146	7.7
123.04458	1.5
123.08087	2.8
123.11717	1.4
125.09637	3.8
127.03915	0.5
129.07018	12.8
129.71483	0.4
131.04945	1.4
131.08575	11.8
133.06485	4.3
133.10129	8.3
135.08090	1.8
135.11690	1.1
137.05975	1.0
137.09619	1.7
141.06984	1.4
142.07831	2.8
143.08583	1.4
145.04933	0.8
145.06494	4.6
145.10120	3.8
147.04424	0.9
147.08069	4.2
147.11685	11.8
149.09634	6.8
153.07001	0.6
153.09105	0.5
155.08566	1.5
157.06503	1.0
157.10129	12.1
157.11333	0.8
159.08057	1.2
159.11697	1.0
161.05994	0.7
161.09621	1.2
163.06064	0.7
163.11143	2.3
165.12805	2.9
167.08585	0.6
169.10069	0.9
171.08078	0.9
171.10217	0.6
171.11757	1.3
173.09612	0.8
175.11185	12.6
185.09612	1.0
185.13319	0.9
187.11308	0.6
189.11247	1.6
189.12747	1.1
193.12250	33.7
195.11693	1.5
197.13194	0.7
199.11311	0.8
205.12254	1.5
207.11719	0.5
211.13304	13.0
211.15280	0.8
213.09024	0.4
213.12778	0.8
215.14415	0.8
225.12895	0.6
227.10751	0.5
227.14586	0.8
229.14363	1.4
231.13791	0.9
233.15405	1.5
237.12843	0.8
249.14891	2.0
255.13774	2.2
259.13297	0.8
267.15927	100.0
268.16235	1.4
273.14920	4.3
285.14063	0.8
285.17004	11.7
301.14392	0.7
309.17093	0.8
323.19943	0.6
333.17218	0.5
339.23373	1.2
341.21109	2.3
349.21631	2.9
357.24271	1.3
367.22736	9.0
385.23825	8.4
403.24689	3.1
405.24139	0.8
415.24603	0.6
433.19949	1.0
433.25894	18.3
441.26324	8.4
459.27435	85.2
460.27872	1.9
477.28497	52.3
478.28735	1.2
491.29971	1.4
501.28433	2.0
509.30942	1.2
519.29510	3.7
567.29303	0.8
573.30249	0.6
585.30341	1.3
603.31555	1.9
621.32532	0.9
886.47113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	9.2
66.69862	0.6
67.05508	10.5
69.03436	1.9
69.07065	6.2
71.05001	1.8
71.08633	15.1
71.53479	0.9
73.02915	2.6
79.05495	10.8
81.03423	6.1
81.07056	14.3
83.01349	4.8
83.04977	5.8
83.08618	10.2
83.75894	0.7
85.02909	12.8
85.10176	8.1
87.04482	0.8
89.06026	2.1
91.03954	6.7
91.05476	5.5
93.07048	13.4
95.04959	4.4
95.08611	13.4
96.15067	0.6
97.02891	6.6
97.06553	1.7
97.10168	3.7
99.04459	2.2
103.07548	1.0
103.29008	0.7
104.23307	0.7
105.07053	5.3
107.04957	3.8
107.08606	8.0
109.06544	3.1
109.10178	5.0
111.04438	1.6
111.08118	1.1
111.11721	1.2
115.03907	0.8
117.07026	4.1
119.08596	5.2
121.06516	2.0
121.10159	5.3
123.08070	5.7
123.11694	2.3
125.05932	0.9
125.09624	1.0
127.03914	3.4
129.07037	1.1
131.08575	2.1
135.08034	1.0
135.11699	6.9
145.04932	3.4
145.10118	10.7
147.08005	0.9
153.12767	1.6
163.06059	4.1
163.11189	16.2
173.09631	2.6
181.12206	2.3
184.07288	1.0
186.74075	0.6
191.10648	1.8
209.11807	3.4
227.12903	3.2
239.23663	1.3
257.24716	1.5
283.15405	100.0
284.15790	1.1
313.27371	68.7
352.18118	0.7
521.38397	51.7
522.38751	1.1
600.94244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.1
65.03893	0.7
67.05508	9.4
69.03417	1.0
69.07066	7.3
69.48116	4.0
71.04980	1.3
71.08635	15.0
73.02888	1.5
79.05091	0.8
79.05498	11.5
81.03390	1.9
81.07061	14.8
83.04940	2.5
83.08624	9.8
85.02918	3.1
85.06499	1.0
85.09743	0.7
85.10186	9.5
89.06014	1.4
91.03916	1.7
91.05469	4.9
93.07045	19.4
95.04971	3.3
95.08610	30.3
95.81113	0.6
97.02869	3.1
97.06503	1.7
97.10136	2.6
99.04417	2.5
103.07531	0.7
105.07025	4.2
107.04967	3.2
107.08596	14.2
109.06485	0.9
109.10155	6.0
111.04410	1.6
111.08064	0.8
117.07044	5.4
119.07975	0.5
119.08587	6.0
121.06500	3.6
121.10144	7.1
123.11668	1.7
123.18563	0.6
125.05960	1.8
127.03862	1.0
130.07808	1.4
133.10091	2.5
135.08089	1.3
135.11691	30.7
137.13252	0.7
143.08496	0.8
145.10130	15.4
153.12711	0.7
163.05986	1.0
163.11185	42.1
170.28493	0.6
173.09628	1.0
173.84267	0.6
181.12222	7.8
184.07451	0.7
209.11511	0.7
227.12785	43.4
227.61491	0.6
228.13017	0.7
239.23721	1.3
257.24673	1.6
283.15408	82.3
284.15530	0.8
313.27371	81.7
314.27725	1.1
521.38409	100.0
522.38721	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	23.5
64.68089	0.8
67.05512	10.5
69.03438	27.0
69.07076	27.3
71.01360	3.2
73.02922	47.0
73.06558	3.4
79.05502	9.5
80.56912	0.7
81.03431	6.9
81.07064	14.3
83.04983	1.5
83.08625	2.6
85.02913	68.6
85.06535	1.2
87.04466	3.7
91.03419	1.8
91.03964	27.9
91.05485	8.3
92.43896	0.9
93.07054	9.9
95.04974	3.6
95.08615	12.2
97.02898	53.5
97.06531	5.3
97.10144	1.9
98.20794	2.1
99.04456	4.1
99.05025	1.0
101.02291	0.9
103.03922	1.5
105.07037	19.0
107.04945	1.3
107.08598	13.0
109.02889	5.1
109.06529	9.7
109.10156	9.7
115.03941	27.9
115.07590	6.3
117.05532	1.9
117.07025	4.0
119.08588	10.0
121.06525	1.6
121.10157	10.2
123.11715	2.4
125.09640	4.9
127.03928	21.1
131.08577	7.3
133.04982	6.3
133.10138	11.8
135.11691	8.1
139.03937	1.1
139.23161	0.8
143.08548	1.5
145.04973	29.7
145.10130	15.5
147.11699	21.0
149.09660	1.4
149.13306	5.4
151.11235	1.7
157.10144	1.6
159.11705	16.6
161.13271	67.2
163.06032	28.3
163.07417	1.3
163.11195	3.2
163.14885	1.3
167.10689	8.2
171.11729	1.5
173.13264	11.1
175.14778	2.0
177.16490	1.0
181.12303	1.1
185.13266	2.0
186.14102	1.5
187.14838	1.7
189.16405	1.5
193.04930	0.9
199.14842	4.7
201.16347	1.0
203.17953	1.1
213.16422	1.3
215.18018	1.9
217.19507	0.9
223.06010	3.0
227.17903	1.2
231.21143	1.5
241.07126	4.5
253.14363	1.8
253.19691	1.4
255.21098	89.4
257.22592	0.9
259.08090	4.3
271.20584	1.6
271.38461	0.9
273.22153	100.0
275.20178	1.3
285.25815	8.1
291.19553	1.2
295.10208	6.3
325.11322	1.4
335.86533	0.9
381.31497	3.3
399.32590	31.5
405.26743	1.1
415.31812	1.2
417.33673	78.2
418.34253	1.4
435.27490	14.2
543.37195	1.6
560.35657	1.3
579.38977	7.8
597.32715	4.9
729.37115	1.0
741.44055	3.0
867.82068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	4.5
65.03935	6.0
67.05510	100.0
69.03438	8.2
69.07074	40.2
70.06201	9.0
70.06557	3.2
71.04980	5.7
74.96788	2.2
79.05501	66.7
81.03414	12.6
81.07062	95.0
83.05000	12.6
83.08626	23.4
85.02922	4.6
85.06536	4.1
86.09729	3.3
91.05490	61.5
93.07052	63.5
93.28310	2.3
95.04974	13.4
95.08611	39.4
97.02898	5.7
97.06535	18.6
97.10182	16.4
98.21456	3.4
99.08108	3.6
105.04558	3.1
105.07034	50.6
105.07692	3.6
107.04953	14.1
107.08604	50.7
109.02910	2.8
109.06525	11.7
109.10165	46.5
111.08136	5.7
112.55554	2.3
113.09699	2.6
117.07021	17.7
119.08591	40.3
121.06515	7.0
121.10165	22.2
123.08070	4.6
123.11726	6.8
125.09634	14.3
129.07028	9.5
131.08589	25.8
133.10152	31.8
135.08093	9.1
135.11700	16.2
135.56732	2.5
136.06195	10.7
137.09656	6.2
139.07602	2.3
141.06981	3.2
143.08572	8.6
145.10127	20.6
147.11697	16.9
149.09642	19.4
149.13219	14.0
151.11206	2.5
155.08568	4.2
157.10132	6.2
159.11713	15.6
161.13257	7.8
163.11171	8.9
165.09105	3.9
168.09460	2.8
169.10063	4.0
170.19087	2.6
171.11749	9.5
173.04472	2.9
173.11742	9.4
173.13309	6.7
175.11221	3.6
177.12788	3.9
179.14369	4.8
183.11693	4.8
184.07314	3.3
189.11266	10.4
195.11781	2.6
195.13696	3.9
197.13231	3.3
203.47783	2.6
213.16373	2.4
213.99651	3.3
227.12752	22.3
229.14355	28.3
229.19521	4.6
231.17357	2.4
255.15942	6.8
257.19003	13.0
267.15860	2.7
269.17505	28.7
275.20096	53.6
293.21036	6.2
331.22733	4.4
349.23743	47.7
367.24719	9.1
409.25714	8.4
423.27524	28.1
445.29538	2.9
449.29034	10.2
451.32175	3.7
463.30710	20.0
503.33762	25.0
519.32703	3.9
521.34753	7.1
525.35693	5.8
529.35260	5.1
543.36816	45.7
561.37939	12.3
567.31104	2.7
604.40033	2.5
607.35101	4.1
623.43170	22.5
633.20172	2.3
641.44354	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.4
65.03935	5.2
67.05512	80.7
69.03419	11.1
69.07075	51.0
71.01941	4.7
71.05004	5.8
72.38802	2.5
73.02898	3.8
76.97038	2.4
79.05503	65.9
79.05972	3.4
81.03436	16.9
81.07062	100.0
83.04987	16.9
83.08625	28.1
85.02900	8.8
85.06536	5.3
85.07899	2.3
91.03935	3.0
91.05489	54.6
93.06487	4.2
93.07051	57.2
95.04978	21.1
95.08611	35.4
97.02872	11.3
97.06555	23.4
97.10180	32.4
99.04429	3.5
99.08059	3.6
105.07044	50.4
107.04973	16.3
107.08604	49.5
109.06516	18.2
109.10152	28.3
111.04440	4.4
111.08074	6.1
115.05469	3.2
115.07612	2.3
117.07027	19.6
119.08593	35.9
121.06507	10.4
121.10166	27.7
123.08068	20.1
123.11740	3.3
125.09650	30.8
127.03922	3.6
129.07066	12.6
130.07794	2.6
131.08588	26.7
133.06500	7.4
133.10152	24.9
135.08052	9.8
135.11723	17.7
137.09618	6.5
143.08588	11.9
143.78722	3.0
145.06488	3.8
145.10110	20.8
147.08028	12.1
147.11703	15.9
149.09703	14.4
149.13278	10.5
151.11166	5.8
153.09111	4.2
153.12770	3.8
155.08514	5.3
157.10141	10.4
159.08066	4.2
159.11685	16.4
161.09608	11.9
161.13245	6.7
163.11211	17.6
165.09084	5.3
165.12651	3.8
169.10117	4.4
171.11731	7.3
173.09631	4.5
173.11795	5.5
173.13223	5.8
175.11201	5.4
177.12750	6.1
181.12210	3.9
183.11740	3.1
184.07355	3.2
185.13304	3.7
187.11157	2.6
189.11203	16.3
189.12700	4.0
193.12186	5.7
195.13745	5.5
200.21754	2.7
205.12297	3.8
213.12735	3.4
217.15868	4.5
223.13319	10.4
227.12779	29.4
229.14349	12.3
239.17896	3.3
249.14940	2.8
257.19031	8.0
269.17490	22.2
273.18527	33.0
273.21420	4.4
275.20065	39.1
291.19574	91.1
293.21234	3.5
347.22278	11.3
349.23795	39.5
365.23303	47.4
367.24860	8.0
383.24194	7.8
519.33301	28.7
535.32599	4.9
541.35114	9.6
545.35071	5.4
559.36334	49.0
563.36389	3.7
577.37305	7.4
621.41534	9.0
639.42810	37.6
657.43799	20.7
703.40784	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02650	0.9
61.02933	11.1
63.30048	0.5
65.03938	1.3
67.05509	7.0
69.03435	25.0
69.07068	5.7
69.85712	2.9
70.06613	3.1
71.01362	2.5
71.04998	2.9
73.02923	41.1
79.05495	8.5
81.03426	5.4
81.07067	16.7
83.04985	3.5
83.08628	2.1
84.04523	0.7
84.08137	1.1
85.02911	36.3
85.06564	2.9
86.09726	1.8
87.04467	2.7
91.03954	8.4
91.05489	11.8
93.07049	12.2
95.04969	3.9
95.08617	9.6
97.02898	30.9
97.06547	4.9
97.10184	2.4
98.21548	0.7
99.04482	2.4
99.08083	0.9
101.02361	0.6
103.03995	0.5
103.05479	0.7
105.04552	0.6
105.07041	14.7
107.04935	1.2
107.08604	12.0
109.02901	3.6
109.06528	6.0
109.10156	6.6
111.04449	11.9
111.11688	1.2
113.06013	3.6
113.09640	1.1
115.03940	19.5
116.80759	0.5
117.07011	3.4
119.08590	10.8
119.09384	1.0
120.08125	0.7
121.06522	7.9
121.10149	13.8
123.04449	0.7
123.08100	2.5
123.11753	1.4
125.05979	4.5
125.09635	10.0
126.82375	0.6
127.03914	12.4
127.93608	0.6
129.07001	1.7
130.07652	0.5
131.08571	7.6
133.04982	3.1
133.10124	7.4
135.08102	3.3
135.11714	5.2
137.09599	0.6
139.11197	7.1
143.08612	1.8
145.04967	13.7
145.10114	7.0
145.11166	0.7
147.11705	5.0
149.09639	4.4
149.13295	2.5
151.11211	1.3
153.12746	0.6
155.08636	1.0
157.10130	2.5
159.11722	7.9
161.09677	0.7
161.13330	2.4
163.03928	0.7
163.06024	8.2
163.11195	8.2
163.14944	0.6
165.12831	1.8
167.10661	5.1
169.10136	0.7
171.11758	2.5
173.13264	3.5
175.11166	1.0
177.12772	1.8
181.12263	7.6
183.11754	1.2
185.13312	1.6
187.11383	0.6
187.13315	0.5
187.14879	1.8
189.16464	0.5
191.14322	0.7
195.13907	0.6
197.13356	1.3
199.14923	0.7
201.16435	0.8
211.15007	1.1
213.16382	3.3
215.17960	24.6
223.06119	1.1
233.19061	1.9
241.07191	1.5
253.19557	4.4
255.21246	1.7
259.08264	1.1
267.15979	1.2
271.20612	2.8
273.22269	2.5
281.22733	0.7
283.15488	0.8
290.77045	0.6
295.10284	1.3
299.23828	1.6
317.06781	1.4
317.24860	1.1
325.11456	1.0
358.24817	0.6
379.30072	3.0
397.31003	25.3
398.31540	1.0
415.32098	62.1
416.32294	1.1
457.33163	0.9
559.36719	1.3
577.37341	6.0
739.42670	27.6
765.11603	0.6
853.45435	2.8
871.46918	100.0
872.46759	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	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.8
65.03954	4.6
67.05511	87.9
69.03436	16.0
69.07072	54.4
71.05009	13.6
71.53133	2.8
72.38551	1.7
73.02907	6.4
77.03957	2.6
79.05498	75.4
81.03425	19.4
81.07063	100.0
83.04989	15.9
83.08620	19.8
85.02911	11.1
85.06557	7.2
85.67219	2.2
91.05487	58.5
92.42941	2.0
93.07054	69.5
95.04971	19.9
95.08619	40.6
97.02914	9.7
97.06535	47.6
97.07156	3.2
97.10172	20.1
99.08110	5.6
103.05479	2.4
105.04552	3.3
105.07043	49.2
107.04965	18.8
107.08608	47.4
109.02848	4.3
109.06517	16.8
109.10173	33.1
111.04469	5.1
111.08106	13.5
113.05968	3.2
115.07577	15.3
117.07021	22.1
119.08591	31.8
121.06521	7.8
121.10152	20.5
123.08089	10.2
123.11710	6.7
125.09654	16.9
127.03920	5.0
127.07536	3.8
128.06242	4.2
129.07025	11.0
131.08589	29.8
133.06485	6.1
133.10146	35.0
135.08046	13.4
135.11664	16.3
137.09590	5.5
139.11237	2.6
141.06964	3.3
142.07762	2.7
143.08578	13.5
145.10129	22.8
147.08038	8.8
147.11705	15.8
149.09616	13.7
149.13293	12.0
151.11180	6.8
152.86688	2.2
153.09122	3.0
155.08565	7.1
157.10069	10.3
159.08092	5.0
159.11697	16.7
161.09595	9.8
161.13304	5.7
163.11226	16.1
165.09227	4.0
169.10202	5.2
171.11714	7.3
173.11807	3.1
173.13289	5.8
175.11258	6.3
177.12764	4.4
179.14227	4.0
181.10188	3.1
181.12288	2.6
183.11726	2.9
184.07463	3.5
185.09705	2.1
185.13281	6.5
187.14879	3.8
189.11232	11.2
189.12799	3.2
193.12350	2.6
195.13860	4.8
197.13330	4.3
199.11182	2.6
201.12836	3.1
209.13300	3.0
217.15842	5.4
218.56462	2.1
219.13766	3.1
223.13220	4.7
227.12817	15.3
227.18002	3.2
229.14247	9.7
239.18062	2.3
245.19008	2.4
253.14339	8.9
255.15799	3.8
257.19034	5.6
267.15933	3.4
269.17487	29.5
273.18518	30.0
275.20071	22.0
276.65015	2.0
290.01630	2.4
291.19568	39.8
313.33533	1.9
347.22189	10.2
349.23798	27.7
356.93427	2.0
365.23315	22.4
367.24762	4.8
383.24393	2.9
393.64618	2.2
413.21902	2.5
431.29050	2.3
439.26801	3.5
519.33301	16.5
541.35199	8.0
543.37250	11.5
545.34485	3.8
559.36383	28.7
577.37305	5.2
621.40643	2.9
639.42444	14.6
657.43964	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	870.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.1
67.05507	3.8
69.03428	6.0
69.04570	0.9
69.07068	1.3
70.06593	26.7
71.52258	0.6
71.52695	0.9
72.08154	100.0
73.02915	9.0
74.03268	0.7
75.16961	0.7
77.03938	0.9
79.05484	2.0
81.03416	2.8
81.07055	6.0
82.06572	8.8
82.07361	1.2
83.04991	1.1
83.08641	1.1
84.04496	6.6
84.08136	13.4
85.02902	8.3
85.04011	5.8
86.09709	1.3
87.04496	0.7
91.03967	1.4
91.05476	5.8
93.07046	5.0
94.06514	0.9
95.04971	1.8
95.08599	2.4
97.02886	6.2
97.06535	1.0
98.03249	0.8
99.04485	0.8
99.09238	2.9
103.05476	6.0
105.07021	4.0
105.23730	0.7
107.04943	1.4
107.08602	2.6
109.02843	0.7
109.06508	1.8
109.10159	1.5
111.04443	1.8
111.09208	1.9
112.07607	1.2
113.10786	1.5
115.03938	3.7
115.05476	1.8
117.07047	1.3
118.06555	3.9
119.08602	2.4
120.08105	93.0
121.06528	1.9
121.10141	1.7
125.06037	1.1
125.07144	0.6
125.09637	3.3
126.12810	1.3
127.03934	2.7
127.08685	7.6
128.07094	1.1
129.07040	1.2
129.10231	1.2
130.06523	12.9
131.08620	3.0
132.08087	16.3
132.08884	0.8
133.04973	1.3
133.06490	0.8
133.10124	2.1
135.11717	1.2
137.09648	0.8
139.08656	25.0
139.11192	1.8
141.10219	3.7
142.06516	1.9
143.07303	0.7
143.08524	1.1
144.08086	9.8
145.04959	2.3
145.10129	1.9
146.06012	20.1
146.10451	0.7
147.11725	1.2
149.09659	1.7
153.13855	13.4
154.06506	3.1
155.08205	1.0
156.08054	1.3
157.10121	4.2
158.08412	1.6
158.10468	1.1
159.09178	38.5
160.07614	1.7
163.06052	2.0
163.11165	1.0
165.09087	0.9
165.10280	4.8
167.08214	3.6
167.10599	1.0
169.07603	19.8
169.09804	1.4
170.06017	13.2
171.09171	7.2
171.11684	1.6
171.14871	1.1
173.13161	0.8
175.03938	1.0
175.08669	2.0
175.11197	1.1
177.05563	0.7
181.07677	3.9
181.09799	9.2
181.13364	37.5
182.06042	2.6
182.09756	1.8
183.09160	4.6
183.11702	1.0
183.14972	0.8
184.11249	2.3
186.10381	1.5
187.08696	4.2
188.07062	50.7
192.47629	0.6
193.13535	1.0
196.11177	1.6
197.07152	3.4
198.05634	1.0
198.08075	0.6
198.10251	1.1
198.13116	0.6
199.08672	3.7
199.12473	0.7
199.14403	0.9
200.10742	0.9
205.09724	16.0
207.06544	3.1
208.06870	1.3
208.10953	0.9
209.07333	0.8
209.09348	5.8
209.12851	34.1
210.12973	0.8
211.08754	1.7
211.14812	1.2
213.14139	1.3
213.16422	3.6
214.16708	2.1
215.08165	16.0
215.17883	0.7
216.11304	5.3
223.12440	1.1
224.10388	0.7
225.06688	1.9
225.13924	1.3
226.09813	2.2
226.15562	2.5
227.11768	0.6
232.10919	2.3
236.10284	2.1
237.06708	0.8
237.12294	12.6
238.15501	28.5
239.08157	2.1
241.13264	1.1
242.11829	1.9
243.07681	0.9
244.10947	2.6
251.11853	1.8
251.17879	1.0
252.14970	1.0
252.18341	0.6
253.13380	4.0
254.09308	1.7
254.12407	1.0
254.14967	7.7
256.10849	1.6
260.10162	1.0
262.11874	21.2
266.15005	21.1
267.15875	1.9
268.14471	3.2
269.12875	1.1
270.16125	2.5
271.20801	0.7
272.10199	3.8
280.14594	3.4
281.12863	9.4
282.16162	0.9
283.07065	0.8
284.15933	0.7
285.16977	1.0
289.12946	4.9
294.14493	3.9
296.13953	1.7
297.12271	1.0
298.15466	1.2
300.09796	1.0
311.17139	16.0
314.14981	6.0
316.16507	4.6
324.13461	1.7
324.17200	1.2
328.16611	1.8
338.18521	1.0
342.14554	2.6
343.17526	0.7
352.16721	1.3
355.17609	3.7
356.15808	2.9
361.18808	3.1
367.08157	1.4
367.21414	1.6
371.17154	6.0
373.18741	2.5
378.17957	0.9
378.28845	1.3
380.19656	1.2
383.17169	2.2
395.20758	2.2
395.29401	5.8
396.19406	1.9
396.29761	7.0
399.16565	4.7
401.22043	1.5
413.22128	0.9
413.30466	7.2
414.30756	9.5
426.25073	2.2
434.21677	3.6
441.21243	3.8
452.16629	1.6
452.22958	32.3
454.24496	16.8
459.27475	0.7
470.23975	13.3
475.27072	0.8
480.22485	13.9
482.23828	1.9
487.26413	0.9
497.24939	0.8
498.23486	81.3
499.23935	0.7
510.23529	3.2
511.29257	1.0
515.25671	1.2
516.24506	0.8
576.36072	0.9
581.30780	5.5
609.30011	2.4
651.28979	0.9
662.32855	1.6
707.63873	0.7
737.40796	1.9
738.41406	9.9
743.34015	0.8
771.33923	1.2
824.41107	1.0
842.42102	3.0
852.41919	1.3
870.45258	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	861.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	2.9
67.01871	0.6
67.05182	0.8
67.05512	8.3
68.05824	0.6
69.03435	2.9
69.07079	5.5
71.05013	0.8
71.52321	0.5
73.02926	3.0
79.05501	5.7
81.03429	6.1
81.07063	9.4
82.03762	0.5
82.07379	0.7
83.04997	1.0
83.08623	1.9
85.02467	0.5
85.02910	3.3
86.09702	0.6
86.30087	0.4
91.03973	2.0
91.05496	5.7
92.05803	0.5
93.07056	6.5
94.07363	0.5
95.04981	2.3
95.08615	4.5
97.02922	4.1
97.06552	1.0
97.10208	1.1
101.02385	1.2
101.95475	0.4
105.07053	3.2
107.04975	0.7
107.08601	3.5
109.02908	0.5
109.06509	1.1
109.10166	2.7
111.08079	0.7
112.33972	0.4
117.07059	1.4
117.14803	0.5
119.08604	3.1
120.72407	0.4
121.10133	2.2
123.08090	0.7
123.11726	0.5
125.09644	1.2
127.03912	1.5
129.07062	0.8
131.08607	1.9
132.08992	0.5
133.10159	1.6
135.08067	0.8
135.11751	1.7
136.06201	53.6
137.04608	1.2
137.06668	5.0
145.10167	1.2
146.08127	0.5
147.07988	0.5
147.11717	1.1
149.09624	0.9
151.11198	0.6
159.11699	1.1
163.11168	0.6
167.03363	3.0
184.07367	2.2
185.04480	0.6
193.12244	0.9
201.11255	0.5
237.72145	0.4
243.08417	2.9
267.15994	1.5
268.16324	1.0
275.20184	1.1
333.20450	3.6
335.25818	2.4
336.26361	1.0
383.48694	0.5
389.23129	0.7
408.58704	0.6
439.19403	1.5
453.20996	1.0
453.78796	0.6
491.17346	1.7
509.18546	1.5
528.37433	0.7
535.29779	0.5
546.39435	0.6
551.28418	10.2
566.84863	0.5
583.21637	0.7
604.75122	0.5
623.31067	0.7
681.44061	1.4
698.44763	0.7
699.45313	4.2
843.49567	2.2
861.49774	100.0
862.49792	3.2
878.75647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	0.8
65.03930	0.3
65.39609	0.1
67.05510	4.4
67.62590	0.1
69.03433	0.9
69.06732	0.2
69.07074	1.6
70.56592	0.3
71.04984	0.4
73.02910	0.4
79.05498	3.6
81.03424	5.8
81.07060	5.3
83.04973	0.8
83.08632	1.6
85.02917	1.1
86.09686	0.5
91.03949	0.5
91.05489	3.3
92.02466	0.1
93.07050	3.0
94.59711	0.1
95.04974	1.7
95.08619	2.4
97.02893	1.1
97.06548	0.7
97.10159	0.4
99.08075	0.3
105.07034	2.0
107.04940	0.5
107.08607	1.7
109.02905	0.1
109.06504	0.4
109.10154	1.3
111.04430	0.1
111.08089	0.6
115.05453	0.2
117.07022	0.7
119.03572	1.2
119.08581	1.7
121.06548	0.3
121.10160	1.5
123.08076	0.4
123.11704	0.4
125.00008	0.3
125.09659	0.4
127.03912	0.2
127.07535	0.2
129.05501	0.2
129.07019	0.8
131.08577	1.3
133.06485	0.2
133.10149	0.9
135.08044	0.6
135.11708	0.9
135.60841	0.1
136.06197	100.0
137.04622	1.0
137.06664	0.2
137.09631	0.2
141.07091	0.1
142.07761	0.2
143.08565	0.2
145.10112	0.8
147.08034	0.3
147.11673	0.9
149.09665	0.6
149.13303	0.4
151.11295	0.2
152.05696	0.4
157.10117	0.7
159.11671	0.3
161.13310	0.2
163.11183	0.3
165.12747	0.2
167.10814	0.1
169.10124	0.2
171.11702	0.2
173.11722	0.3
173.13298	0.3
175.11235	0.6
184.07359	1.5
189.11273	0.1
193.12276	1.7
195.13867	0.1
199.09659	0.2
201.11197	0.7
211.13361	0.1
227.12746	0.3
229.14368	0.4
229.16263	0.2
239.12737	0.2
241.14378	0.3
247.16916	0.2
257.19113	0.2
261.22186	0.8
267.15933	3.9
269.17538	0.3
275.20129	0.4
298.11386	0.1
301.16577	0.2
307.22687	0.1
317.24887	0.1
321.20798	0.4
335.25867	2.7
346.18774	0.2
349.23849	0.3
364.07657	0.1
371.20834	0.3
381.22760	0.2
395.24359	0.5
420.22430	0.1
475.30823	0.2
497.28702	0.1
527.37384	1.2
545.38531	0.9
551.32605	0.2
565.33618	0.6
571.47162	0.1
611.78973	0.1
645.39575	0.2
660.12677	0.1
680.43536	1.3
698.44904	4.5
842.49335	2.4
860.49933	4.3
861.50641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.0
65.03946	5.0
67.05507	86.4
69.03441	9.1
69.07070	48.9
69.28976	0.9
70.06579	1.2
70.71672	1.7
70.71983	1.5
71.01339	1.6
71.04988	8.0
71.08622	1.9
71.59123	0.9
73.02913	1.9
77.03920	2.2
79.05495	74.7
81.03426	16.4
81.07058	100.0
82.07386	1.0
83.04986	13.7
83.08155	1.5
83.08620	26.8
85.02914	7.0
85.06529	6.8
91.05480	69.1
91.91261	0.9
92.05782	1.4
93.03437	1.4
93.07047	73.6
95.04967	17.0
95.08609	46.2
97.02895	7.0
97.06538	24.8
97.10165	17.4
99.04445	1.6
99.08090	4.0
99.73084	1.0
103.05460	1.6
105.04522	2.4
105.07032	59.0
107.04955	15.0
107.08598	57.9
109.02863	2.5
109.06518	10.4
109.10156	21.2
111.04423	1.9
111.08069	9.2
113.05994	2.2
113.09690	2.6
113.75566	0.9
115.05450	2.5
116.06238	1.6
117.07021	22.6
119.04871	1.1
119.06062	1.3
119.08581	42.1
119.91173	1.2
121.06524	8.0
121.09331	2.0
121.10141	25.5
123.04493	1.3
123.08051	7.3
123.10964	0.9
123.11694	5.9
124.32396	0.9
125.09617	14.3
127.03888	4.4
127.07545	1.0
128.06213	3.3
129.05525	1.7
129.07007	9.8
130.07787	1.8
131.08569	30.7
133.06477	3.1
133.10135	39.8
135.08032	8.5
135.11694	20.0
137.09636	5.5
139.07526	1.1
139.11186	2.3
141.06998	4.7
142.07852	2.2
143.08549	9.4
145.04929	1.4
145.06485	2.1
145.10124	30.3
147.08051	2.1
147.11693	20.8
149.09630	22.8
149.13266	15.7
151.11148	3.7
153.09122	1.8
155.08557	4.4
157.10159	9.8
159.08022	1.8
159.11697	22.7
161.09628	4.2
161.13280	7.1
162.25056	1.1
163.11208	14.6
165.09131	1.3
165.12761	2.7
167.08638	1.1
169.10147	6.0
171.10263	2.2
171.11687	5.6
173.04465	2.9
173.09631	1.9
173.11890	1.7
173.13274	8.9
175.11148	3.8
175.14818	1.1
177.12781	6.9
179.14252	4.9
181.10138	2.4
181.12132	2.4
183.11714	6.2
184.07280	1.5
185.13281	2.8
187.11186	3.3
187.14745	3.0
189.11224	7.4
189.12729	1.9
191.14268	1.8
195.11906	1.9
195.13791	8.5
197.13199	5.5
199.14836	2.3
201.12900	1.7
201.16449	1.2
205.12244	1.8
209.13324	1.4
211.14879	2.4
213.16422	1.7
215.14363	1.5
215.17912	1.3
217.15817	1.7
221.13272	1.1
223.13268	2.0
227.12755	21.4
227.17723	1.3
229.14381	4.1
229.19487	4.0
233.15366	2.0
239.17950	5.3
245.13783	2.2
247.20644	4.6
251.16537	1.4
253.14322	2.2
253.17937	2.2
255.15892	13.0
257.19067	14.3
261.18436	1.2
267.15936	5.5
269.17487	41.9
273.18436	2.0
275.20081	65.6
277.21695	1.3
291.19601	1.6
293.17868	1.9
293.21094	9.9
305.11621	1.0
321.24271	2.4
329.20850	1.0
331.22617	4.9
349.23730	56.1
365.23288	1.7
367.24814	14.6
413.21585	2.3
423.27246	2.7
425.25201	1.2
433.30389	1.5
435.27176	1.6
439.26910	3.1
445.29626	1.8
449.29037	13.9
451.31964	1.4
461.28775	1.1
463.30563	22.3
469.32925	2.9
489.32675	1.1
501.35858	1.1
503.33505	2.3
515.37134	2.6
519.32758	2.2
525.35724	6.1
529.35431	10.5
543.36841	58.5
544.37042	1.5
547.35815	1.4
561.37915	6.8
605.41309	1.2
607.34967	2.0
623.43066	13.0
641.44202	11.3
659.44989	6.4
687.41541	1.6
705.41895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.8
65.03946	7.3
66.13951	1.0
67.05511	87.1
69.03445	12.1
69.07075	49.9
69.07464	1.2
69.61466	1.1
70.11042	3.9
71.01362	1.6
71.04997	8.0
73.02905	1.9
77.03935	2.1
79.05499	77.5
79.99733	1.0
81.03426	15.7
81.07063	100.0
83.04992	16.0
83.08629	22.3
85.02912	7.7
85.06551	5.8
87.04480	1.6
88.40707	1.2
91.04906	2.7
91.05486	67.7
93.07053	77.8
95.04977	16.6
95.08616	49.0
97.02918	7.5
97.06535	20.9
97.10168	16.3
99.04455	2.5
99.08088	5.4
103.05487	2.3
105.04551	1.7
105.07043	57.8
107.04965	14.3
107.08604	53.3
109.02899	4.2
109.06530	11.7
109.10159	20.4
109.89850	1.2
111.04467	2.4
111.08102	9.8
113.05990	1.8
113.09641	2.5
115.05492	3.4
116.06276	1.5
117.07027	29.4
118.33930	1.2
119.08596	38.9
121.06533	6.9
121.10164	25.9
123.04454	1.8
123.08040	7.2
123.11708	5.6
125.09640	13.3
127.03938	6.5
127.07547	2.0
128.06247	2.3
129.05505	2.7
129.07022	12.1
130.07779	2.6
131.04962	1.2
131.08571	34.1
133.06508	2.5
133.10139	36.3
133.11101	2.5
135.08084	11.0
135.11708	26.0
137.09590	7.2
139.07527	1.5
139.11241	2.0
141.07019	4.3
142.07780	1.6
143.08574	10.5
144.09401	1.3
145.05121	1.3
145.06491	3.3
145.10132	28.2
145.53767	1.3
147.08061	4.0
147.11702	21.8
149.05997	1.1
149.09634	25.6
149.13283	15.8
151.11195	4.0
153.07025	1.1
153.09122	1.4
153.12781	1.4
155.08539	7.4
157.10153	12.2
159.08081	4.1
159.11705	23.7
161.09679	3.2
161.13225	9.4
163.11195	15.3
163.14911	2.0
165.12801	2.8
167.08600	1.6
169.10101	6.8
171.11737	8.9
173.04465	3.4
173.09647	2.9
173.13246	9.6
175.11253	2.4
175.14861	2.0
177.12790	9.4
179.14311	5.9
181.10153	3.1
181.12263	3.3
183.11713	8.0
185.09502	1.3
185.13297	4.8
187.11232	3.4
187.14827	3.1
189.11246	6.7
189.12685	1.4
191.14449	1.3
193.12311	1.4
195.11792	3.1
195.13837	9.4
197.13284	5.2
199.14886	2.7
201.12790	1.6
201.16365	1.6
205.12222	2.6
207.13715	1.6
209.13327	2.3
211.14897	2.0
213.16492	1.6
215.14340	1.5
215.17931	1.9
219.13942	1.3
223.14914	2.1
227.12791	17.7
229.14307	2.9
229.19524	2.4
239.17934	6.3
245.13872	1.9
247.20641	2.7
251.16531	1.6
253.14378	2.1
253.17972	1.4
255.15909	14.3
257.19040	14.2
259.20496	2.5
267.15961	4.7
269.17496	40.6
273.18423	2.2
275.20078	64.6
291.19458	2.7
293.17944	1.3
293.21194	5.1
301.21335	1.3
313.21640	1.6
321.24310	1.7
331.22720	4.3
340.98557	1.3
341.25085	1.5
347.22076	1.7
349.23758	58.3
365.23410	3.2
367.24869	8.1
395.20981	1.6
413.21686	1.3
423.27359	2.7
425.25095	1.8
431.28085	2.4
433.30966	2.5
435.27618	2.5
439.26837	2.2
445.29504	2.9
447.30972	2.0
449.29050	19.6
451.32138	1.9
463.30566	23.7
469.33057	1.7
479.54337	1.2
503.33832	2.5
511.34247	1.9
515.37427	2.2
519.33215	1.8
525.36035	6.9
527.37408	2.1
529.35480	12.1
543.36926	47.9
544.37128	1.5
547.36536	2.3
561.38062	6.3
583.39551	1.6
605.41492	1.4
607.35364	1.7
623.33368	1.5
623.43115	15.7
641.44006	7.8
687.41473	1.8
705.41687	1.7
743.03046	1.3
755.47424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.5
65.03940	5.4
67.05509	75.3
69.03430	7.9
69.07071	31.7
71.05003	7.7
71.08638	1.7
73.02949	1.4
77.03926	1.6
79.05499	56.2
81.03423	16.5
81.07060	79.9
82.40988	1.2
83.04987	14.1
83.08623	14.8
85.02896	4.6
85.06554	7.6
85.10181	1.8
87.04468	3.1
89.06030	3.5
91.05484	70.5
93.07049	57.4
93.07645	2.7
95.04974	15.1
95.08612	31.8
97.02895	3.4
97.06522	12.4
97.10171	5.9
99.04447	2.5
99.08110	2.4
103.05483	4.0
105.04499	1.8
105.07037	63.6
107.04967	15.3
107.08598	44.3
109.02888	2.4
109.06541	10.3
109.10161	44.0
111.04436	2.1
111.08080	4.6
113.05962	3.0
113.09680	1.7
115.05478	2.2
117.07021	17.6
119.08598	26.9
121.06512	10.5
121.10144	14.4
123.04435	1.6
123.08096	7.2
123.11709	11.8
125.09613	6.2
127.03901	1.8
127.07546	2.1
127.18423	1.1
128.06245	2.3
129.06998	6.6
131.08580	21.5
133.06506	5.0
133.08549	2.6
133.10138	69.4
135.08051	11.5
135.11703	11.9
137.09627	4.6
141.06982	2.3
143.08563	9.0
145.06494	1.5
145.10127	16.8
146.06007	1.6
147.08003	5.6
147.11703	9.1
149.09622	14.7
149.13300	6.9
151.11197	30.4
152.05707	5.7
155.08562	2.3
157.10130	7.5
159.08052	2.7
159.11713	11.9
161.09598	8.8
161.13205	5.8
163.07590	1.3
163.11211	10.7
165.09077	1.5
169.10132	2.3
169.12245	4.6
171.11673	5.5
173.04489	2.4
173.09561	1.1
173.13297	4.7
175.11240	3.9
177.09193	2.5
177.12726	3.3
179.10661	2.0
179.14359	2.6
181.12222	2.4
183.11668	1.5
184.07327	3.1
185.09671	1.7
185.13246	2.9
187.11203	1.6
189.11235	2.3
189.12697	2.8
191.14333	2.0
195.11943	1.7
195.13811	4.2
199.14850	1.4
203.14372	1.5
205.12305	1.5
213.16495	1.5
215.12767	3.4
227.12686	6.6
239.18001	3.1
245.19000	4.4
247.20598	2.0
251.12735	2.0
251.16399	1.4
253.14359	100.0
255.15913	4.9
257.18961	6.8
263.20068	3.7
267.15955	2.5
269.17462	14.4
271.15329	3.8
273.18524	21.8
275.20081	21.4
291.19553	24.2
293.21277	2.6
313.27313	2.0
331.22726	1.7
347.22189	10.2
349.23737	21.5
365.23264	33.3
367.24887	4.3
408.96991	1.4
447.27353	4.5
451.26987	4.4
463.26996	1.7
465.28519	9.6
469.73611	1.2
495.36661	2.5
515.67682	1.2
527.33905	3.4
541.35132	8.7
545.34686	21.2
559.36334	42.8
621.41125	4.2
639.42450	18.6
657.43701	6.5
664.01843	1.5
692.46155	1.4
854.47400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.8
65.03941	3.1
67.05510	67.0
69.03441	12.1
69.07076	39.7
69.07461	1.8
71.01369	1.2
71.05013	7.0
71.38649	1.9
73.02921	1.4
77.03954	1.4
79.05498	54.9
81.03427	14.4
81.07061	76.5
83.04985	9.9
83.08620	17.6
85.02904	5.0
85.06549	4.8
91.05484	56.4
93.07053	55.4
93.07585	1.2
95.01353	1.7
95.04977	13.9
95.08614	30.6
97.02898	12.1
97.06535	13.9
97.10182	15.0
99.04451	1.8
99.08092	2.5
103.05452	1.8
104.22866	1.2
104.78365	1.1
104.83920	1.2
105.04526	2.5
105.07040	46.8
107.04969	14.2
107.07876	2.3
107.08598	41.1
109.02823	1.4
109.06539	8.8
109.10162	26.8
111.04447	1.2
111.08091	6.6
113.09680	1.5
115.05467	2.7
117.07014	16.7
119.08578	25.8
121.06528	8.4
121.10153	16.7
123.04491	1.7
123.08079	7.2
123.11708	4.8
125.06001	1.2
125.09640	11.5
127.03952	3.1
128.06250	1.6
129.05515	1.3
129.07034	7.4
130.07899	1.3
131.08582	23.5
133.06543	4.1
133.10138	36.4
135.08057	10.3
135.11685	11.5
136.06203	1.1
137.09644	4.6
139.07521	1.5
141.07019	2.7
143.08534	6.2
145.06471	2.2
145.10133	17.0
147.08075	6.9
147.11696	10.4
149.09615	14.2
149.13277	8.7
151.11192	11.1
155.08559	3.0
157.10114	6.1
159.08095	2.5
159.11700	14.1
161.09679	6.8
161.13306	5.3
163.11223	8.0
165.09135	2.9
165.52643	1.3
165.91560	1.2
167.08675	1.2
169.10158	2.4
169.12202	3.0
171.10201	2.4
171.11717	5.5
173.04370	1.2
173.09563	2.1
173.13284	4.8
175.11209	3.6
177.09097	1.3
177.12802	4.8
179.08577	1.3
179.10716	1.7
179.14394	2.5
181.12262	1.7
183.11694	2.2
184.07260	1.3
185.13313	2.7
187.11237	2.5
189.11209	5.2
189.12692	1.6
195.13803	6.5
197.13322	2.2
199.11345	1.1
199.14838	1.6
203.10786	1.2
205.12172	1.5
215.12669	2.1
217.15887	1.2
223.13286	15.9
227.12744	8.8
229.14261	1.6
229.19565	2.4
235.13214	1.2
239.18037	2.5
245.19031	4.7
247.20354	1.5
249.14888	2.9
251.16557	1.5
253.14371	23.3
255.15623	6.8
257.18961	7.4
263.20096	2.3
267.16000	2.2
269.17517	33.4
271.15344	1.9
273.18521	24.5
275.17331	0.7
275.20071	23.1
291.19547	100.0
292.19684	1.6
293.21042	1.5
309.20514	1.7
347.22131	6.7
349.23709	16.9
365.23257	52.3
367.24780	2.8
377.22626	1.2
413.21875	2.5
447.27423	1.7
461.28967	1.8
465.28409	2.9
495.36954	1.2
527.34021	1.8
541.34979	5.4
545.26929	1.8
545.34698	23.7
559.36365	84.1
560.36761	2.7
621.41254	3.4
639.42523	23.3
657.43445	4.6
703.40240	1.5
854.45746	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	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.1
67.05510	20.6
68.98884	0.6
69.03088	0.7
69.03434	7.7
69.07073	21.8
69.91957	2.9
71.04990	1.3
74.09710	0.8
79.05499	17.0
79.52235	0.7
81.03426	4.2
81.07059	15.5
81.58413	0.7
83.04965	2.5
83.08620	7.0
85.02906	0.9
91.05486	12.2
93.07049	15.7
95.04977	5.4
95.08599	8.5
97.02900	7.4
97.06520	3.3
97.10179	11.2
105.07047	9.8
105.56377	0.7
107.04974	7.0
107.08599	10.3
109.02832	0.9
109.06497	2.0
109.10175	4.8
111.08077	1.6
115.05465	0.9
116.06294	0.8
117.07027	5.7
119.04925	1.4
119.08591	9.0
121.06506	2.3
121.10134	3.5
123.04443	0.7
123.08054	2.8
123.11695	1.1
125.09631	7.3
129.06989	3.5
131.08594	7.0
133.06491	3.7
133.10130	4.8
134.07291	0.8
135.08061	2.9
135.11681	1.6
137.09601	1.9
142.07742	0.8
143.08533	2.8
145.06471	0.9
145.10109	4.6
147.08037	3.6
147.11642	2.0
149.09630	1.9
149.13271	1.4
157.10129	1.7
159.08076	1.2
159.11705	2.1
161.09641	2.5
161.13307	0.9
162.07735	0.9
162.10414	0.8
163.11183	1.1
165.09132	1.3
169.12209	0.9
171.11685	0.8
175.11229	2.6
177.12666	1.2
184.07365	1.0
189.11220	3.6
195.13765	0.9
205.12242	1.5
209.19243	0.7
223.13307	14.0
227.12753	5.2
245.19049	1.6
249.14891	3.2
255.17433	0.8
263.20218	0.8
267.15900	1.3
273.18491	14.1
289.18018	1.4
291.19556	100.0
292.19849	1.4
309.20749	1.4
347.22208	3.7
365.23245	51.8
366.23593	0.7
461.29752	0.8
535.32813	1.2
548.38470	0.7
557.34619	2.6
575.35486	2.2
637.41418	3.6
655.42072	49.6
673.42804	0.8
763.69904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75739	0.8
64.56113	0.8
65.03960	2.2
67.05506	47.5
69.03429	10.4
69.07074	36.0
69.07458	1.1
69.74423	4.4
71.08621	0.9
73.02927	1.6
79.05499	45.9
79.09841	1.0
81.03423	11.1
81.07063	42.5
83.04982	8.7
83.08619	15.0
85.02917	3.2
85.06538	2.1
86.92362	0.9
91.03958	1.3
91.04912	1.1
91.05488	37.0
93.07048	38.2
93.07644	1.8
94.04168	1.0
95.04983	11.8
95.08612	23.5
97.02891	9.2
97.06529	10.9
97.10175	19.8
98.05964	1.0
98.21444	1.2
99.08102	1.0
103.05481	1.9
104.06307	0.9
105.04521	0.9
105.07040	31.0
106.07379	1.0
107.04950	12.5
107.07883	1.7
107.08599	32.4
109.02895	1.8
109.06546	5.2
109.10169	15.3
110.09108	0.8
111.04441	1.6
111.08117	4.2
113.06043	1.1
113.09661	1.2
115.05453	1.7
117.07020	15.3
119.04951	1.3
119.08588	23.7
120.05758	1.0
121.06483	5.4
121.10157	12.1
123.04452	1.3
123.08098	4.2
123.11749	1.7
125.09642	18.8
127.03953	1.5
128.06253	1.9
129.07025	4.3
131.08577	17.7
133.06461	4.5
133.10149	16.9
133.11102	1.3
134.07303	0.9
135.08070	6.2
135.11694	9.4
137.09651	4.3
139.11189	0.9
141.07040	2.3
143.08600	6.0
145.06512	1.3
145.10123	14.1
147.08031	7.4
147.11705	8.8
149.09634	11.8
149.13242	6.0
151.11194	2.4
153.09132	1.8
155.08591	2.4
157.10121	6.5
159.08052	1.1
159.11697	10.0
161.09631	3.7
161.13269	2.4
163.11188	5.6
163.14827	1.2
165.09166	2.3
169.10123	2.1
169.97881	0.8
171.10297	1.2
171.11707	3.5
173.09644	1.7
173.11852	1.4
173.13318	2.4
175.11229	4.2
177.12785	3.3
179.10727	1.8
179.14343	2.4
183.11711	1.6
184.07413	1.4
185.13263	1.5
187.11238	2.5
187.14857	1.3
189.11235	9.0
189.12753	1.8
195.11842	1.3
195.13855	1.9
197.13322	1.6
201.12698	1.7
205.12274	2.4
211.13249	1.5
223.13255	16.2
227.12769	23.8
229.14433	2.2
229.19489	1.3
233.15453	1.2
239.17923	2.7
245.14029	1.4
245.19116	1.7
249.14928	3.6
253.14343	3.0
255.15991	2.9
257.19003	8.9
267.15765	1.8
269.17529	7.1
273.18472	14.3
275.20078	26.2
281.46719	1.0
291.19559	100.0
292.19855	2.1
293.21191	2.5
331.22736	3.1
347.22229	3.3
349.23764	31.4
353.15848	1.0
365.23260	42.2
367.24658	1.1
413.21835	1.6
434.37930	1.1
461.29138	2.6
517.31927	1.3
519.33228	5.9
535.32556	4.7
541.35059	2.7
543.36530	3.1
545.34900	5.8
559.36353	22.6
621.41229	3.1
639.42596	50.7
657.43304	3.5
854.45807	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	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	3.2
61.02929	10.1
62.16876	0.5
65.03942	1.9
67.05508	89.4
69.03436	3.6
69.07075	7.0
69.35428	4.0
71.05001	3.6
73.02919	4.3
79.05497	17.5
81.03426	2.0
81.07060	36.3
83.04997	0.8
83.08622	9.0
85.02908	12.7
85.06557	3.6
91.03962	8.9
91.05486	12.1
93.07048	24.1
95.04985	1.7
95.08612	27.8
97.02897	7.6
97.06540	2.0
97.10191	1.8
99.04453	1.1
99.08096	1.3
103.03881	0.6
105.07030	7.1
107.08595	14.6
109.06537	1.1
109.10163	77.5
111.08073	3.2
115.03958	0.8
117.07020	3.2
119.08582	11.9
121.10139	9.3
123.08084	0.7
123.11728	3.5
125.09668	1.3
127.03928	3.6
131.08588	6.9
133.10127	5.4
135.11697	7.4
137.09598	3.0
137.13232	1.3
145.04979	4.0
145.10139	4.8
147.11719	4.0
149.09712	0.7
149.13252	3.5
155.10686	5.0
159.11710	4.7
161.13249	3.4
163.06029	5.3
163.14792	2.7
173.11772	17.6
173.13277	2.4
175.14879	1.2
177.12785	0.6
177.16411	1.5
183.11685	0.6
184.07367	1.5
187.14821	1.8
189.11201	0.9
190.80206	0.6
201.16434	0.7
213.14906	0.6
220.95331	0.7
227.12805	7.0
229.14363	100.0
233.22612	0.6
243.21080	5.2
261.22144	18.2
317.24789	2.6
335.25821	63.1
336.26010	1.1
363.25708	0.6
379.29959	1.4
397.31088	1.6
415.31909	1.2
471.34641	2.3
489.35770	48.4
490.36182	0.8
507.36847	9.1
848.50195	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90662	1.4
61.02918	1.3
64.49893	1.3
65.03934	2.1
67.05507	41.0
69.03434	10.1
69.06728	2.4
69.07069	25.5
71.05001	4.6
79.05493	32.0
81.03413	8.4
81.07059	41.6
83.04980	6.9
83.08607	9.6
85.02907	1.9
85.06538	2.7
91.05486	43.5
93.07050	37.3
95.04980	12.3
95.08607	18.0
97.02901	7.7
97.06524	4.1
97.10169	9.9
98.21613	3.0
99.04519	1.4
101.06047	1.2
103.05437	1.5
105.07030	34.4
107.04940	8.8
107.08597	25.5
108.05691	1.3
109.02885	1.4
109.06525	8.1
109.10158	34.0
111.04436	1.5
111.08082	2.9
115.05496	1.3
117.07027	9.9
119.04961	2.4
119.08574	16.8
121.06509	7.7
121.10155	7.6
123.08057	5.1
123.11725	3.5
125.09639	7.8
127.07532	2.3
128.06238	1.7
129.06995	4.8
130.07784	1.5
130.08652	2.7
131.08589	12.9
133.06493	5.1
133.10135	40.6
135.08061	6.7
135.11725	3.9
137.09697	3.1
143.08556	4.5
145.10106	6.4
147.08015	7.1
147.11673	4.5
149.09613	5.5
151.11180	21.1
155.08498	1.4
157.10173	3.7
159.08046	2.1
159.11705	4.3
161.09579	7.8
161.13271	1.5
163.11169	3.4
169.10144	1.7
169.12311	2.2
171.11714	3.2
175.11188	4.0
177.09204	2.7
177.12816	2.1
181.10075	1.5
184.07402	1.8
185.13287	1.6
187.11220	1.8
189.11221	2.7
189.12801	2.1
193.12212	1.5
195.11714	1.3
195.13805	1.9
210.98218	1.2
215.12827	2.0
217.12247	1.3
223.13261	11.4
227.12791	3.3
245.18889	3.1
249.14833	4.7
251.12924	2.3
253.14359	84.8
255.17595	3.2
263.20053	2.1
273.18491	28.8
291.19547	100.0
309.20477	1.5
329.21133	1.6
347.22101	9.8
365.23245	45.9
416.31656	1.4
423.23755	1.6
543.33081	5.5
561.34100	23.1
637.40820	9.6
655.31372	2.1
655.42139	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	4.2
61.85846	0.6
63.65919	0.7
65.03993	0.8
67.05505	7.6
69.03432	3.1
69.07064	3.3
73.02922	2.9
79.05502	9.4
81.03416	3.5
81.07068	8.1
83.04974	1.0
83.08609	1.6
85.02916	4.5
86.09722	1.1
91.03984	2.6
91.05477	8.0
91.05965	0.8
93.07053	6.7
95.05001	2.1
95.08626	4.6
96.18323	0.8
97.02883	4.3
97.06561	0.9
97.10204	1.2
99.04482	1.2
101.02386	1.7
105.04563	0.8
105.07042	6.1
107.08588	4.5
109.02914	0.9
109.06533	0.9
109.10175	2.4
117.07068	1.3
119.08591	5.1
121.10179	2.0
125.00058	0.9
125.18314	0.7
127.03894	1.4
129.05513	1.4
129.07031	1.8
131.08620	2.5
133.10155	4.2
135.08040	0.8
135.11710	1.7
138.32942	0.8
142.86098	0.7
145.10197	2.1
147.11736	2.8
151.11240	0.7
157.10188	1.2
158.05792	0.8
159.11674	1.5
162.92345	0.7
166.58241	0.7
166.70346	0.9
171.11687	0.8
173.13380	0.7
175.43654	0.7
184.07335	3.9
185.04355	0.9
213.16457	0.9
213.81183	0.7
231.17586	1.5
243.08463	4.2
259.20798	0.8
301.09042	1.6
315.10562	0.9
333.20386	3.7
385.18692	0.9
389.23010	0.9
422.74756	0.8
431.23929	0.9
437.21555	1.1
437.33124	0.7
439.19635	1.0
444.68982	0.7
453.20966	0.9
465.21130	0.8
474.01633	0.8
535.28754	8.1
541.23163	0.7
551.28339	8.1
673.44476	0.9
707.40747	0.9
845.50287	100.0
846.50970	3.5
865.01477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	3.3
61.02930	11.8
63.09787	0.5
65.03934	2.7
67.05508	100.0
69.03439	3.5
69.07078	8.2
69.31893	2.5
69.32309	1.6
71.05001	4.2
71.08649	1.0
73.02927	3.6
75.28037	0.5
79.05499	21.2
81.03420	2.1
81.07061	42.6
83.04994	1.0
83.08623	9.8
85.02908	15.1
85.06551	2.6
86.09726	0.9
87.04484	0.6
91.03968	9.1
91.05485	15.2
93.07049	29.1
95.05000	2.3
95.08613	31.3
97.02898	7.7
97.06522	1.6
97.10181	2.3
99.04464	1.3
99.08102	1.2
105.04496	0.7
105.07044	9.2
107.08597	17.5
107.09310	1.0
109.10162	84.5
110.10484	0.7
111.08099	3.3
113.05918	0.5
115.03953	0.9
117.07032	3.1
119.08591	13.1
121.10161	13.5
121.11046	0.8
123.08131	0.6
123.11729	5.0
125.00070	0.7
125.09663	1.8
127.03937	3.5
127.10159	0.6
127.11169	0.6
129.05544	0.6
129.06885	0.6
131.08559	6.1
133.10143	6.7
135.11697	9.9
137.09634	3.9
137.13269	1.9
139.11333	0.5
145.04964	4.4
145.10153	5.2
147.11708	5.4
149.13251	6.4
155.10680	6.1
159.11710	4.1
161.05798	0.6
161.13264	3.3
163.06024	5.1
163.14828	3.5
173.11771	18.3
173.13309	3.5
175.14870	1.4
175.47795	0.5
177.16399	0.7
184.07359	1.4
187.14861	2.1
189.11205	1.1
201.16460	0.9
227.12772	4.9
229.14368	90.6
230.14810	0.7
233.22624	0.9
243.21078	5.6
247.46619	0.6
261.22150	22.1
261.24890	1.2
267.21222	0.5
271.91138	0.5
289.43903	0.5
317.24759	2.8
335.25818	74.2
336.26242	1.3
379.29715	0.6
397.31006	1.8
415.31912	1.3
449.32251	0.6
471.34912	2.2
489.35770	75.6
490.36160	1.5
507.36749	7.1
633.39502	1.1
848.48303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82266	2.2
65.03938	3.1
67.05186	3.3
67.05513	49.8
69.03423	8.7
69.07069	49.0
70.06576	3.4
71.04980	5.4
72.77718	2.4
79.05496	61.6
81.03421	23.8
81.07059	100.0
82.07382	2.6
83.04996	13.0
83.08620	15.3
85.02893	6.9
85.06535	4.1
86.09719	2.7
91.05489	57.1
93.06484	4.0
93.07044	57.5
95.04981	17.3
95.08613	35.6
97.02892	4.2
97.06528	26.5
97.10166	13.0
99.08079	5.5
101.02356	2.5
103.05495	3.4
105.07028	33.1
107.04977	20.3
107.08591	43.7
108.71905	2.2
109.02828	2.5
109.06520	31.8
109.10162	19.2
111.04416	4.8
111.08079	7.6
114.44912	2.4
115.05520	3.3
115.07573	2.7
117.07048	15.2
119.08592	36.8
121.06494	9.5
121.10140	23.1
123.08070	18.7
123.11723	3.5
125.05950	4.1
125.09634	22.5
127.03914	3.6
128.06236	2.5
129.07005	10.8
129.43787	2.4
131.08577	29.2
133.10130	21.4
135.08064	16.3
135.11679	10.0
137.09653	14.9
141.06950	2.8
143.07016	11.3
143.08582	11.3
145.06415	3.0
145.10123	19.9
147.08029	15.5
147.11664	4.6
149.09639	21.6
149.13268	4.1
151.07539	3.4
151.11130	3.4
153.09129	13.8
157.10123	10.1
159.07950	3.0
159.11696	6.8
161.08447	2.4
161.09624	13.1
161.13231	7.1
163.11182	9.7
165.09106	8.3
167.08499	3.3
169.10147	5.4
171.11685	9.4
173.09668	4.7
173.13225	4.9
175.11163	4.6
175.14868	3.2
177.12613	3.0
183.11716	3.1
184.07365	5.4
185.13312	4.2
186.67999	2.6
187.14891	3.0
189.11224	3.0
191.10594	2.9
199.09659	8.7
199.14832	8.4
201.16435	5.7
203.14180	2.9
217.15958	11.8
219.17407	3.9
227.12624	11.8
229.15965	4.1
241.14334	3.8
245.15373	26.0
247.16942	12.5
257.19040	4.6
263.16464	13.0
265.17850	4.9
267.15891	3.3
269.17548	13.6
273.18420	18.1
275.20074	13.4
285.22751	2.6
291.19513	18.8
319.19101	4.9
321.20691	13.3
321.23816	2.6
333.49637	2.6
334.15079	2.4
337.20227	12.3
339.21857	18.1
347.22055	7.2
349.23825	12.6
355.21164	7.6
365.23233	15.6
383.24323	5.5
513.32404	5.7
515.33655	5.6
531.33386	12.9
549.34088	7.5
593.38019	7.9
611.39459	33.9
629.40424	30.8
647.41815	15.0
668.75244	2.8
747.87476	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	842.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.1
61.02915	2.2
65.03942	4.9
67.05509	100.0
69.03437	2.5
69.07075	26.9
69.16705	24.5
71.04994	4.8
79.05497	45.3
81.03416	5.1
81.07059	86.0
83.04980	4.7
83.08625	17.4
85.06509	3.7
86.09710	5.8
91.05480	41.3
93.07047	54.6
95.04971	5.7
95.08611	45.9
97.06524	10.8
97.10174	8.6
98.21643	3.8
99.08073	5.9
105.07035	30.6
107.04985	4.7
107.08596	39.1
109.06541	6.9
109.10167	45.3
111.08089	6.7
117.07029	11.5
119.08588	22.3
121.10137	28.8
123.11726	7.6
125.00010	3.4
125.09653	6.7
126.24349	2.6
127.03934	3.1
128.87798	2.5
129.07005	3.9
131.08545	18.4
133.10121	23.1
135.08086	4.7
135.11720	14.6
137.09618	3.9
139.11166	2.3
143.08548	5.4
145.10121	15.1
147.11674	12.8
148.99721	2.3
149.09657	5.6
149.13304	13.4
151.11261	2.9
152.19180	2.3
157.10146	3.9
159.11732	10.2
161.13264	5.2
163.11197	6.7
163.14815	4.5
169.10107	4.3
171.11710	4.4
173.11743	7.2
173.13277	7.1
175.14830	3.2
184.07355	16.4
189.11292	3.0
195.13840	4.2
197.13304	2.8
211.14885	3.1
227.12801	7.6
229.14340	33.3
246.76108	2.4
257.19003	5.3
259.20590	5.0
261.22046	11.0
269.17493	16.9
275.20148	21.9
293.21011	5.5
294.30826	2.6
300.21237	2.5
317.24619	2.6
333.24252	4.5
335.25845	79.8
337.27206	2.4
349.23813	16.1
351.25607	3.3
367.24792	17.1
489.35669	24.1
505.35846	2.4
507.37042	4.8
525.95074	2.9
527.37378	4.4
529.38910	46.3
569.41956	7.8
609.36194	2.9
609.45190	31.2
627.46191	26.9
747.65918	2.4
842.47241	3.3
843.48126	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.8
61.02927	2.6
65.03935	8.1
67.05510	94.6
69.03416	8.9
69.07076	35.6
70.55196	4.6
70.55566	5.3
71.04993	6.8
71.08635	3.3
73.02924	2.4
73.06537	2.9
79.05501	88.1
81.03400	12.4
81.06592	4.9
81.07061	100.0
83.04984	13.3
83.08607	18.0
85.02899	6.4
85.06540	5.4
86.09726	3.2
87.04472	7.2
91.05488	90.3
93.07053	92.8
95.04971	15.8
95.08611	62.3
97.02908	5.5
97.06540	15.5
97.10173	7.7
98.21421	3.3
99.08118	4.4
100.07591	2.6
103.05460	3.0
105.04528	2.2
105.07040	85.6
107.04964	9.0
107.08604	48.3
109.03968	2.4
109.06519	8.7
109.10163	26.1
111.08109	5.0
111.22343	2.3
115.05469	5.4
117.07023	32.3
119.08591	67.1
121.06504	7.4
121.10145	37.4
123.08075	5.6
123.11712	5.6
125.09618	5.4
127.03861	2.6
128.06204	6.8
129.05444	2.8
129.07040	17.0
131.08580	46.6
133.06451	2.3
133.10138	51.1
135.08055	7.8
135.11693	32.0
137.09627	4.4
139.11208	2.4
141.06975	6.5
142.07726	5.7
143.08569	19.5
144.09322	3.0
145.10133	39.2
146.08142	5.3
147.08054	3.6
147.11687	41.1
149.09656	14.0
149.13280	15.1
151.11192	5.7
155.08557	9.9
157.10114	16.4
159.11690	28.8
161.09663	4.3
161.13304	16.6
163.11179	6.3
163.14873	3.4
165.12779	3.6
169.10132	13.0
171.07982	2.9
171.11699	18.2
173.04480	3.4
173.13222	14.1
175.11221	2.8
175.14847	11.1
177.12753	5.6
179.08484	2.8
179.14264	4.2
181.10112	5.2
181.12186	3.5
183.11722	8.8
184.07349	4.2
185.13263	11.1
187.14859	5.0
195.11674	5.5
195.13788	3.2
197.13330	6.1
199.14818	9.3
209.13249	4.8
211.14870	3.2
213.16464	3.4
217.15971	2.3
219.17503	2.5
223.14891	4.1
225.16548	3.5
231.21092	5.1
241.19598	14.9
253.14185	3.0
255.15811	11.3
257.18985	7.2
259.20575	45.1
261.22092	3.0
267.15894	4.3
269.17462	26.8
273.18542	5.6
275.20071	17.2
277.21600	3.0
289.21555	3.3
291.19788	3.3
315.23035	5.5
324.90662	2.3
333.24286	48.2
335.25943	14.4
349.23703	8.7
365.23367	6.2
367.24905	4.4
435.32532	9.2
453.33401	8.5
471.34576	3.8
489.36008	2.7
509.36005	5.5
513.35571	19.5
515.38275	4.3
527.37354	69.1
531.36945	4.7
533.39807	4.4
545.38257	10.2
607.43475	21.5
616.85968	2.6
625.44794	33.0
643.45013	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	1.8
61.02913	4.4
65.03934	6.4
67.05510	92.0
69.03434	9.8
69.07072	36.9
70.12749	1.4
70.96794	3.0
71.05003	8.3
71.08627	1.8
73.02904	2.2
77.03926	2.2
79.05499	84.0
81.03430	13.5
81.07062	100.0
83.05000	12.4
83.08627	20.1
85.02911	9.0
85.06535	6.5
87.47755	1.3
91.05489	92.6
93.07050	90.3
94.17864	1.3
95.04983	10.6
95.08615	58.3
97.02895	3.2
97.06543	15.5
97.10165	10.6
99.04469	2.0
99.08100	5.2
103.03997	1.3
103.05464	4.4
105.04550	3.4
105.07038	84.9
107.04977	11.2
107.08605	49.2
109.02895	2.1
109.06524	10.7
109.10172	20.9
111.04475	1.8
111.08084	8.7
113.09686	3.0
115.05472	4.1
116.06292	2.3
117.07024	31.8
119.08589	65.1
121.06506	7.3
121.10150	34.2
123.08069	6.9
123.11667	7.3
124.28477	1.2
125.09647	7.0
127.03942	3.8
127.07568	1.5
128.06224	5.3
129.05489	2.6
129.07021	21.3
130.07808	1.8
131.08580	47.9
133.06514	3.3
133.09128	2.5
133.10139	50.8
135.08069	6.2
135.11696	25.7
136.06146	1.3
137.09648	5.1
139.11185	1.3
141.06970	8.2
142.07753	4.7
143.08568	23.4
144.09360	2.9
145.06456	2.9
145.10129	41.2
147.08046	4.2
147.11699	33.7
149.09659	9.3
149.13297	14.0
151.11205	5.3
155.08594	14.8
156.09355	2.2
157.06554	2.1
157.10141	20.7
159.07974	1.9
159.11708	33.6
161.09669	4.0
161.13272	19.4
163.11195	9.5
163.14832	3.8
165.06924	1.5
165.12747	2.0
167.08557	4.3
169.10139	16.1
171.10234	2.4
171.11685	19.6
173.04523	2.3
173.13278	14.8
175.11214	3.8
175.14835	7.0
177.12743	4.8
179.08586	2.0
181.10115	8.7
181.12299	2.0
182.10982	1.5
183.11627	11.5
184.07349	4.6
185.13295	16.5
187.11261	2.3
187.14842	6.0
189.11218	3.7
189.12773	2.2
191.14314	1.7
193.10161	4.0
194.10774	1.8
195.11739	8.4
195.13724	3.4
197.13284	10.8
199.11226	3.2
199.14886	7.1
201.12692	1.5
201.16403	4.0
207.11716	4.8
209.13268	6.2
211.11128	1.8
211.14842	5.0
213.16362	4.6
215.14534	1.7
215.17992	2.3
217.15900	2.4
221.13268	3.0
223.14836	4.3
225.16365	3.2
227.12804	3.4
229.19536	1.8
231.21182	2.8
235.14755	3.4
237.16426	2.0
239.17998	3.5
241.19548	14.9
253.14316	1.7
255.15889	10.7
257.19031	6.9
259.20575	42.5
261.22220	2.8
263.17331	1.3
267.15802	3.3
269.17429	16.8
271.20557	2.4
273.18570	4.7
275.20108	20.9
277.21683	2.7
287.20139	2.3
289.21765	2.1
291.19681	4.2
293.20923	1.6
295.20657	1.4
297.22046	2.2
301.21838	1.7
305.41879	1.7
307.22943	2.3
311.23825	1.8
313.21719	2.5
315.23193	6.2
325.21561	1.7
325.25107	2.1
333.24246	41.8
335.25961	3.3
339.23199	2.6
341.24716	1.6
349.23865	12.1
351.25818	1.7
353.24780	1.6
365.23517	4.3
367.24762	4.4
403.29962	1.4
417.31482	3.0
419.64191	1.6
421.30954	3.9
423.32144	1.7
435.32654	6.1
439.31775	1.7
453.33734	2.5
471.34680	2.9
489.35565	2.5
495.34781	1.5
497.36499	1.8
501.35669	2.2
509.36130	4.6
513.35760	24.5
515.37927	9.0
525.35400	5.1
527.37378	40.9
531.36511	4.6
533.39838	3.8
539.37537	1.4
543.36603	1.9
545.38568	7.2
551.41016	2.2
553.39362	1.6
567.40271	2.3
589.42114	1.8
607.43591	37.4
615.42780	1.6
625.44745	31.8
643.45642	1.6
671.41022	1.8
689.42456	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.5
65.03957	5.4
67.05510	100.0
69.03429	17.3
69.07072	54.3
69.75888	10.9
71.04996	18.7
71.08617	1.9
73.02912	6.6
79.05022	2.5
79.05497	78.4
81.03425	26.0
81.07060	87.9
83.04985	12.4
83.08633	15.7
85.02902	10.9
85.06536	5.4
91.05489	55.3
91.05970	1.4
93.07047	86.8
95.04973	15.1
95.08608	57.5
97.02888	10.8
97.06538	78.6
97.10166	4.8
99.04498	3.6
99.08116	5.5
105.04505	2.6
105.07040	39.4
107.04963	7.4
107.08607	37.5
108.28033	2.8
109.02889	6.0
109.06513	13.8
109.10165	21.0
111.08079	6.7
112.29559	2.4
115.05445	3.3
115.07587	26.1
117.07023	19.6
119.08587	27.9
121.06503	6.5
121.10161	25.9
123.08096	5.7
123.11726	6.9
125.09650	3.0
127.03922	8.4
127.07551	2.4
128.06165	2.6
129.05463	2.7
129.07022	5.9
130.07761	3.2
131.08571	25.5
133.10135	20.8
135.08090	10.7
135.11717	16.8
137.09601	5.9
139.11153	2.4
141.07033	2.7
143.08548	10.4
145.06543	2.9
145.10135	16.9
147.08054	4.4
147.11703	10.2
149.09592	7.0
149.13289	12.4
151.11217	4.3
155.08578	3.0
157.10139	4.7
159.11713	12.6
161.09677	5.4
161.13235	5.2
163.11229	4.2
163.14870	4.9
165.12756	3.2
169.10030	2.7
171.11684	6.4
173.04509	10.0
173.09607	3.0
173.13271	5.8
175.11162	3.3
177.12790	5.7
183.11613	2.2
185.09653	2.1
185.13307	3.1
187.14767	2.4
189.12869	2.5
195.13812	4.6
199.14882	2.8
203.14308	2.6
217.15883	6.3
221.15472	2.6
237.16284	3.2
243.21179	4.3
245.19034	3.3
253.14383	3.8
255.17416	3.2
261.22141	9.1
269.17514	13.0
273.18512	31.0
275.20285	4.0
279.15631	2.5
291.19611	18.0
297.17136	3.3
307.19241	2.9
311.19937	2.1
317.24777	4.9
333.24292	3.5
335.25830	82.9
347.22211	12.9
365.23264	14.9
383.24289	3.1
391.28677	3.3
515.37476	3.4
529.39130	22.1
557.38123	2.1
567.40240	3.2
597.43268	2.2
607.43439	8.2
610.64307	2.2
625.44666	23.8
643.46082	10.5
725.02283	2.2
824.13519	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	838.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	3.6
67.05511	62.6
69.03424	7.9
69.07074	40.2
69.44596	10.6
71.05005	5.6
79.05502	59.7
80.05858	2.2
81.03422	12.5
81.07064	62.3
83.04990	8.9
83.08615	22.6
85.06557	3.3
87.04492	4.0
91.05486	65.2
93.06483	3.8
93.07048	56.5
95.04982	15.4
95.08605	38.7
95.09177	2.8
97.02895	9.3
97.06528	6.5
97.10178	18.9
103.05467	2.7
105.07040	65.3
107.04976	11.5
107.08580	34.8
109.06530	8.7
109.10159	19.9
111.08118	4.3
115.05515	2.4
116.30936	2.0
117.07019	23.4
119.04922	2.4
119.08597	52.3
121.06487	4.7
121.10166	19.6
123.08107	6.6
123.11665	4.0
124.99990	2.0
125.09694	16.8
127.03941	2.9
128.06180	2.6
129.07022	15.9
129.33144	2.1
131.08585	26.3
133.06500	4.8
133.10139	33.9
134.48911	2.1
135.08073	6.1
135.11699	11.4
136.06203	73.5
137.09657	5.0
141.07005	2.8
142.07870	2.6
143.08578	14.5
145.10135	25.3
147.08058	5.6
147.11710	31.6
149.09628	6.4
149.13287	7.2
151.11182	2.9
155.08609	5.0
157.10162	11.6
159.08118	2.5
159.11710	18.8
161.13277	18.6
163.11247	6.4
169.10156	7.7
171.10446	2.1
171.11674	10.7
173.13257	8.3
175.11185	3.5
175.14876	6.8
177.12776	3.0
183.11749	4.2
184.07356	9.4
185.13287	7.9
187.14774	2.6
189.11218	7.6
189.12738	2.5
195.11752	2.2
197.13245	3.4
199.14818	5.1
201.16487	2.4
205.12213	2.5
211.14847	3.0
213.16344	2.5
223.13231	17.3
227.12732	9.6
231.21234	2.4
241.19524	17.0
245.18808	2.2
257.19073	2.9
259.20602	40.0
267.15936	4.0
273.18558	9.9
275.20078	22.1
289.18002	3.5
291.19559	100.0
297.22205	2.1
313.27579	3.4
315.23135	4.8
333.24268	49.6
335.25815	4.0
349.23911	12.1
365.23251	37.4
367.24649	3.8
379.29651	2.8
381.22781	3.7
525.35809	11.9
529.35144	2.6
531.38226	3.9
543.29602	2.8
543.36591	14.4
549.38623	2.6
574.11908	2.2
605.41931	10.4
623.43091	60.8
641.44098	25.5
676.46991	4.6
775.40637	2.5
820.49921	3.1
838.51324	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	838.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39421	0.4
62.83025	0.6
64.16650	0.4
65.03941	0.5
68.05019	1.2
70.02159	0.8
70.02524	1.8
70.06597	48.6
71.04987	1.1
72.08138	0.4
75.05605	9.4
75.86707	0.4
83.06101	1.7
84.04509	25.2
85.02904	0.6
85.07646	1.5
86.09721	0.5
88.07622	0.6
90.68575	0.4
91.05485	7.5
93.07050	0.9
95.06092	3.2
96.04477	1.4
97.07637	2.1
98.06032	0.9
101.07144	10.4
102.05540	2.7
103.05455	1.2
105.07035	0.6
107.04961	1.0
112.07970	1.0
112.08729	17.9
113.07130	3.9
114.05559	0.5
115.08691	7.9
119.04962	4.7
120.08110	26.3
124.03929	1.4
124.08735	1.2
125.07140	0.8
129.06609	3.8
130.05002	1.1
130.09810	0.8
131.04883	0.8
132.08090	1.1
136.07585	70.3
137.07932	0.7
140.08192	2.1
141.06599	3.8
146.06009	0.7
147.04402	1.4
148.07585	3.4
148.08641	0.8
151.05034	0.7
152.03453	3.2
152.08182	2.0
157.10889	0.7
158.09239	0.6
159.07707	0.7
160.07602	0.8
167.08182	0.9
168.07697	0.6
169.06107	6.8
169.11017	0.4
172.11316	0.5
175.08644	0.6
176.06966	0.9
177.10248	2.6
178.05006	1.0
181.09735	1.2
186.08772	8.1
187.07167	3.1
187.08662	0.8
193.09740	16.9
195.07620	2.2
200.10736	0.5
203.08269	0.5
205.09703	2.7
206.09344	0.7
212.10330	1.8
213.06929	0.5
213.08719	2.3
215.08339	1.1
215.11824	0.5
216.14981	1.3
217.13377	1.2
220.07285	0.5
221.09210	3.7
222.12427	1.8
223.07100	1.1
227.11836	0.5
230.11339	0.6
238.12286	0.6
240.09756	1.0
241.08220	4.0
242.12923	4.1
243.11095	0.6
244.09276	0.4
244.14450	4.2
252.09732	1.0
253.08270	0.7
258.10776	0.4
259.15558	13.5
259.18320	0.8
260.14050	0.7
261.12219	0.6
270.12543	0.6
271.11066	0.4
280.09341	1.3
281.07846	1.0
286.11884	0.6
287.15036	2.2
297.12054	1.6
298.10336	3.0
301.11710	0.7
303.14481	4.2
304.12894	2.5
315.13077	1.0
316.17905	0.6
332.12482	0.7
338.09821	0.8
344.17307	1.0
355.12463	1.0
360.16663	1.9
361.19864	1.1
377.19586	0.8
385.18555	0.5
433.17093	0.7
444.23962	1.2
471.19565	0.5
472.23416	0.7
573.27618	1.5
821.36108	1.2
838.38434	100.0
839.38715	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	838.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99187	3.2
65.03950	5.0
67.05511	87.5
69.03431	7.2
69.07076	30.3
71.04984	6.3
71.08655	3.4
79.05500	71.8
81.03423	11.0
81.07063	93.8
82.95655	2.7
83.04976	8.5
83.08627	13.8
85.06549	6.8
86.09711	4.9
87.04485	5.5
91.05489	100.0
93.07049	72.8
95.05021	13.8
95.05539	2.7
95.08613	44.2
97.06545	10.3
97.10210	5.8
97.91553	2.9
99.08126	2.7
105.04519	6.3
105.07040	97.6
106.12659	3.2
106.56014	2.7
107.04960	9.9
107.07898	3.5
107.08612	57.7
109.06523	12.5
109.10162	53.3
109.10853	4.8
111.08073	5.3
115.05442	5.6
117.07017	23.8
119.08591	54.2
119.35050	2.8
121.06507	9.1
121.10158	23.1
123.08094	7.4
123.11720	10.6
124.99961	4.4
125.09650	5.0
126.74466	2.8
128.06206	5.6
129.07005	13.5
131.08563	40.4
133.06508	7.9
133.10147	97.1
135.08081	9.8
135.11705	19.7
136.06255	3.7
141.06914	3.4
143.08607	17.8
145.10143	24.0
147.11705	30.4
149.09650	8.2
149.13277	6.8
151.11171	30.3
152.20911	3.2
157.10156	11.0
159.11694	19.7
161.09645	7.1
161.13280	18.2
163.11200	5.5
163.14850	4.1
169.10130	6.1
169.12305	6.6
171.11703	15.0
173.09709	4.8
173.13330	6.1
175.14821	6.6
177.12729	3.1
179.14273	3.9
183.11676	4.1
184.07368	15.7
185.13351	11.0
187.14955	3.3
189.12776	3.2
193.12132	3.4
197.13310	4.6
199.14867	5.7
213.12585	2.9
213.16359	3.1
215.12784	3.4
231.21030	2.8
239.17932	2.8
241.19611	17.7
245.19099	4.4
253.14377	69.8
255.17448	5.1
257.19043	5.4
259.20636	52.0
273.18552	14.0
275.20096	4.0
289.17923	5.4
291.19537	21.1
315.23163	8.1
333.24265	43.1
335.25851	8.8
347.22333	3.6
349.23843	5.1
361.23877	4.3
363.21671	3.2
365.23288	28.2
401.06467	3.2
437.30386	4.3
450.49313	3.1
454.23093	3.4
487.34122	4.2
511.34149	14.7
529.35565	16.8
531.38147	4.6
549.39594	5.8
605.41699	9.2
623.42993	49.9
637.91107	3.1
641.44397	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	832.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	0.9
61.03186	0.2
65.03925	0.2
67.05512	2.4
69.03435	0.6
69.07058	0.8
69.94768	0.9
73.02913	0.5
79.05498	2.3
79.53683	0.2
81.03426	7.9
81.07059	2.2
83.04975	0.4
83.08621	0.4
85.02922	1.0
86.09743	0.2
91.05495	2.9
93.07060	2.3
95.04948	0.4
95.08611	1.9
97.02910	0.8
97.06524	0.3
97.10147	0.2
105.07047	0.8
107.08633	0.9
109.05139	0.2
109.10189	1.0
117.07037	0.5
119.03533	1.1
119.08598	2.0
120.72991	0.2
121.06527	0.7
121.10146	1.1
123.08079	0.2
123.11730	0.4
127.04062	0.2
131.08514	0.5
133.10143	0.5
135.11713	0.5
136.06200	100.0
137.04610	1.2
137.06586	0.2
137.09621	1.5
145.04956	0.2
145.10167	0.4
147.08073	0.7
147.11674	0.3
149.13283	0.3
152.05714	0.4
161.13261	0.4
165.09117	1.6
173.13333	0.3
178.07329	0.2
184.07381	0.3
191.17160	0.2
239.12863	3.0
239.57246	0.2
261.22186	0.5
284.53909	0.2
299.56995	0.2
335.25885	2.2
396.50211	0.2
499.34586	1.4
508.14285	0.2
517.35297	0.9
652.40662	1.9
670.41846	3.3
812.98950	0.2
814.46204	2.0
832.46234	4.3
833.46887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.8
67.05503	4.0
69.03432	2.5
69.07079	4.6
71.52843	0.6
73.02927	2.8
79.05501	6.4
81.03405	2.6
81.07053	6.0
83.04977	0.9
83.08627	0.7
85.02916	3.9
86.09690	0.9
91.03963	1.9
91.05475	3.9
93.07044	3.9
95.04962	1.6
95.08626	3.5
97.02894	3.7
97.06544	1.3
99.04442	0.7
101.02399	1.5
103.70079	0.4
105.07050	2.0
107.04944	0.8
107.08602	2.7
109.02886	1.1
109.06508	0.7
109.10192	1.1
117.07082	1.1
119.08573	1.9
121.10153	1.8
123.08058	1.1
125.09648	0.6
127.03940	0.7
129.07060	0.7
131.08609	1.4
133.10175	0.8
135.08078	0.8
136.06210	1.5
143.07196	0.5
145.10103	1.0
147.11763	0.8
149.09654	0.8
157.10190	0.7
162.09242	0.6
184.07362	1.5
185.04263	1.1
190.12372	1.1
203.05284	0.7
206.00363	0.5
243.08484	4.1
259.07886	0.6
291.19748	0.6
303.06824	1.2
303.15948	0.8
305.17172	0.5
315.10736	0.8
331.18839	0.9
333.20401	1.3
334.23886	1.4
359.18521	0.9
425.18268	1.0
521.23663	2.3
523.25403	3.0
549.26868	2.0
551.28217	2.0
831.44879	100.0
832.45105	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	832.47
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	0.2
61.02932	1.3
65.03946	0.1
67.02993	0.1
67.05510	2.9
69.03432	0.8
69.07069	0.5
71.04999	0.3
73.02915	0.5
77.89706	0.1
79.05499	3.6
81.03421	4.5
81.07056	2.8
83.04997	0.3
83.08633	1.1
85.02905	1.1
86.09705	0.2
87.04441	0.1
91.03951	0.5
91.05485	2.6
93.07050	3.4
95.04977	1.6
95.08617	1.3
97.02894	0.9
97.06510	0.1
97.10187	0.2
99.08105	0.3
105.04534	0.2
105.07030	1.5
107.04977	0.3
107.08601	1.3
109.02895	0.2
109.05155	0.2
109.06525	0.3
109.10173	0.8
111.08073	0.3
113.67847	0.1
115.05527	0.2
117.07020	0.5
119.03542	1.2
119.08601	1.2
121.06513	0.2
121.10146	2.0
121.10951	0.2
123.08036	0.1
123.11691	0.3
125.09613	0.4
127.03901	0.2
129.07008	0.6
131.08560	1.0
133.06512	0.2
133.10104	1.1
135.08061	0.2
135.11656	0.7
136.06192	100.0
137.04593	1.0
137.06628	0.2
137.09596	0.2
142.07790	0.1
145.10126	0.3
147.08035	0.2
147.11664	0.8
149.09599	0.3
149.13277	0.4
152.05692	0.2
152.27414	0.1
157.10104	0.6
157.29503	0.1
159.11707	0.3
161.04587	0.1
163.11185	0.2
173.13292	0.3
175.11189	0.5
178.07323	0.1
184.07329	0.4
187.14969	0.1
193.12209	1.4
211.13367	0.1
215.18011	0.7
222.84300	0.1
227.12854	0.1
233.19035	1.1
233.97871	0.1
253.14369	0.5
267.15915	3.9
285.17145	0.1
303.04388	0.1
307.22684	3.5
365.23364	0.2
403.06824	0.1
425.30554	0.2
463.27063	0.1
499.34302	1.7
517.35278	1.1
557.34686	0.4
615.34161	0.2
652.40564	1.5
670.41803	3.9
671.42010	0.2
814.45886	1.9
815.45923	0.2
832.32422	0.2
832.47046	3.2
833.46613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.8
66.75811	0.6
67.05509	7.1
69.03423	2.9
69.07072	1.8
69.60771	2.3
69.61192	1.8
71.05006	0.9
71.08638	0.9
73.02925	3.1
79.05500	6.7
80.15032	0.6
81.03447	2.4
81.07050	5.0
83.08617	1.0
85.02900	3.9
86.09727	2.0
87.04481	0.7
89.41219	0.7
91.03970	2.6
91.05482	5.9
93.07050	7.2
95.04975	1.5
95.08603	3.6
97.02897	5.0
98.21590	1.0
99.04480	1.2
101.02399	1.4
105.07033	5.2
107.08615	2.6
109.02850	0.6
109.10181	1.3
109.39515	0.6
111.97156	0.5
117.06998	1.2
119.08624	2.6
121.10185	2.7
123.08115	0.7
125.00058	1.1
127.03915	1.9
129.07043	0.8
131.08614	1.9
133.10135	2.9
135.11746	2.0
145.10159	1.6
146.83154	0.8
147.11768	1.9
149.13271	0.8
157.10014	0.6
159.11716	1.5
161.13348	1.3
163.11301	0.9
171.11761	1.3
173.13367	0.8
177.87003	0.6
182.10315	0.6
184.07347	6.8
184.15475	0.6
185.04248	0.8
185.07832	1.1
233.30446	0.7
243.08435	4.4
259.20786	0.8
270.74252	0.7
294.72107	0.6
301.09125	1.9
313.09088	1.1
313.27441	1.1
315.10510	1.4
317.20898	1.1
385.18710	0.7
465.21255	1.5
525.23151	2.4
535.28857	16.2
607.31116	2.0
829.50751	100.0
830.50983	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	830.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	0.4
60.08169	6.2
62.57607	0.2
63.80634	0.1
67.05508	0.5
69.07081	0.3
70.06635	0.2
71.07377	3.5
71.08649	0.2
71.58373	0.2
76.76529	0.2
79.05508	0.5
81.03405	0.3
81.07059	0.6
85.84296	0.2
86.09711	32.0
87.10030	0.2
91.05496	0.5
93.07050	0.5
95.05011	0.2
95.08617	0.4
98.98466	3.5
99.08122	0.2
104.10746	3.5
105.07037	0.3
107.08586	0.4
118.06580	0.3
118.85496	0.2
121.10165	0.2
123.08112	0.2
125.00011	21.6
133.10147	0.2
136.06192	0.9
184.07350	100.0
185.07692	0.5
192.48660	0.2
230.15421	0.5
274.18015	0.6
292.19131	1.8
293.21158	0.4
366.22833	0.2
376.05838	0.2
497.97412	0.2
533.34796	0.3
604.45831	1.7
712.45728	1.8
794.53070	2.3
812.54395	5.5
830.46393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.51
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	2.8
61.02912	4.8
65.03941	3.8
67.05507	100.0
69.03418	4.6
69.07072	16.9
69.64063	2.5
69.64469	6.8
71.04993	5.4
72.50058	1.4
73.02898	3.1
79.05498	63.9
81.03430	9.0
81.07059	61.0
81.07534	3.5
83.04996	8.0
83.08625	12.4
85.02914	14.8
85.06536	4.3
86.09718	2.4
87.04467	6.4
89.43468	1.4
91.05492	34.7
93.06489	3.1
93.07047	55.3
95.04971	8.6
95.08611	36.2
97.02893	6.1
97.06535	5.1
97.10178	15.4
99.08109	3.1
105.04520	1.6
105.06389	2.4
105.07033	21.3
107.04948	5.2
107.08604	22.7
109.06516	3.3
109.10161	51.8
111.04449	1.8
111.08068	5.2
117.07027	8.4
119.08595	18.2
121.10146	30.6
123.08077	2.8
123.11700	5.2
125.09622	10.9
129.05479	4.9
129.06987	3.7
131.08572	14.5
133.10152	12.7
135.11710	20.0
137.09608	2.8
137.13237	1.9
139.11128	2.7
143.10645	1.9
145.10121	11.2
147.11693	7.3
149.09633	3.2
149.13254	7.7
151.11205	2.0
153.12778	2.5
155.10628	2.6
157.10248	2.1
159.11667	8.8
161.13254	3.3
163.11195	8.1
171.11710	2.2
173.09566	2.0
173.11716	15.6
173.13226	5.6
175.14784	1.8
181.12201	3.2
184.07310	3.0
187.14786	2.4
191.10724	3.6
193.12325	2.9
199.13278	6.8
201.11136	1.8
205.19601	1.7
209.11763	5.9
215.17953	19.6
227.12820	6.4
229.14363	44.2
233.19043	11.7
267.15945	2.2
301.16522	13.4
307.22684	96.6
399.23737	17.8
449.32730	9.0
461.32596	23.9
533.34497	6.3
551.35687	5.0
631.42065	33.7
722.15997	2.1
778.02179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.0
61.02920	4.4
65.03933	6.1
67.05509	85.7
69.03431	11.8
69.07072	72.3
71.01349	2.7
71.04994	8.1
71.52873	2.0
73.02923	3.4
73.06553	1.6
77.03918	2.4
79.05495	97.5
81.03429	21.2
81.07059	100.0
83.04987	16.7
83.08149	2.1
83.08621	26.9
85.02918	8.9
85.06571	6.9
86.06091	1.2
86.09707	2.3
87.04525	1.4
91.05484	84.3
93.07047	88.1
95.04980	22.4
95.08611	53.2
97.02900	8.8
97.06532	32.1
97.10175	18.0
99.04456	4.8
99.08084	4.4
103.03960	1.5
103.05461	2.4
105.04510	3.2
105.07034	64.2
107.04967	19.7
107.08600	61.8
109.02904	2.4
109.06543	17.6
109.10162	20.0
111.04438	4.8
111.08077	8.7
113.09612	1.6
115.05477	4.8
115.07531	2.3
117.07024	31.7
119.08588	44.6
121.06532	9.2
121.09336	2.5
121.10156	37.1
123.08116	10.1
123.11725	4.8
125.00076	1.5
125.06002	3.3
125.09637	16.5
127.03933	7.4
128.06244	3.2
129.05502	3.2
129.07016	15.9
130.07774	3.3
131.08575	43.9
133.06505	4.9
133.10143	41.3
135.08064	30.2
135.11707	14.5
137.09630	10.2
139.07533	1.7
139.11212	5.2
141.06975	7.1
142.07796	2.4
143.07051	10.4
143.08569	14.6
145.05014	2.2
145.06465	3.0
145.10133	39.4
147.08054	7.0
147.11679	17.4
149.09634	45.3
149.13196	7.7
151.07619	2.5
151.11176	4.8
153.09160	3.2
154.07791	2.0
155.08569	8.7
157.10144	13.0
159.08070	4.5
159.11694	22.2
161.08243	2.4
161.09650	6.1
161.13307	8.2
163.07571	2.1
163.11171	15.8
163.14751	1.9
165.06966	1.2
165.09140	4.5
167.08571	4.4
167.10698	5.1
168.09245	1.7
169.10141	9.8
171.10268	2.8
171.11697	10.3
173.04462	3.5
173.09633	4.9
173.11885	2.9
173.13298	11.3
174.33342	1.3
175.11235	4.2
175.14799	3.2
177.09105	4.4
177.12747	4.8
179.14349	3.8
181.10156	4.5
181.12289	1.9
183.10208	2.6
183.11618	9.7
184.07385	4.3
185.09644	2.8
185.13191	7.3
187.11198	5.4
187.13336	1.3
187.14830	7.8
189.11267	9.0
189.12701	2.0
195.11728	4.0
195.13814	4.4
197.13316	3.7
199.09657	15.7
199.14862	2.3
201.12790	2.7
201.16386	12.7
203.14238	2.8
205.12123	2.8
209.13292	3.3
211.14874	8.9
213.12875	1.4
213.16463	2.5
215.18054	1.8
215.83806	1.4
217.10732	1.4
217.15984	1.8
219.17522	4.0
223.11325	1.5
223.13289	3.3
227.12781	27.9
227.17982	1.6
229.15979	19.7
229.19453	2.1
231.17418	2.1
237.16472	2.0
239.12770	3.0
239.17984	4.3
241.14365	25.3
245.13902	3.7
247.16945	30.0
247.20665	2.0
253.18097	1.6
255.15787	6.6
257.19003	9.6
265.14468	1.4
265.18048	5.6
269.17480	17.2
275.20087	45.5
293.21136	5.7
297.22046	1.6
303.19705	2.7
321.20605	46.1
321.24310	2.6
331.22705	3.0
339.21646	14.5
349.23746	46.8
350.24545	1.4
367.24835	9.6
407.24332	2.3
411.23761	2.7
417.26709	2.1
421.25931	19.3
423.28757	1.9
435.27426	16.3
441.29797	1.8
475.30325	4.0
483.31555	2.8
485.33884	1.4
487.34091	3.7
491.29953	5.3
497.32541	6.0
501.32217	11.1
515.33765	43.2
519.33319	3.2
533.34686	6.5
577.38153	1.8
579.32648	1.6
592.93927	1.5
595.39874	21.5
613.41028	17.1
631.42365	8.6
648.44745	2.1
810.49231	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	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.4
61.02930	8.7
65.03939	0.9
67.05508	55.3
69.03432	1.8
69.07077	5.5
69.28181	2.4
69.28600	0.8
71.04987	2.1
71.08636	14.8
73.02918	3.1
79.05084	0.4
79.05489	2.2
81.03423	0.8
81.07062	13.4
83.08624	8.8
85.02910	11.5
85.06553	1.8
85.10180	8.5
86.09713	0.7
87.04494	0.5
89.06054	0.9
91.03963	6.9
91.05470	3.4
93.07043	3.1
95.08614	13.5
97.02898	6.0
97.06578	0.4
97.10173	2.9
99.04470	0.9
99.11721	0.9
100.07615	0.6
103.07602	0.9
105.07033	0.8
107.08621	1.5
109.02886	0.5
109.10164	58.5
111.08112	1.6
111.11706	0.9
117.07001	0.4
119.08598	4.1
121.10101	0.9
123.11687	2.5
125.09704	0.5
127.03936	2.4
131.08629	0.6
133.10161	0.6
135.11621	0.5
137.09630	2.9
137.13263	1.1
145.04980	3.1
146.08153	1.2
155.08653	0.4
155.10675	5.4
163.06020	4.5
173.11743	15.4
184.07376	0.9
204.04948	0.4
218.58080	0.4
229.14363	100.0
230.14803	1.0
239.23772	1.4
257.24847	1.7
275.13416	0.4
313.27380	80.4
314.27823	1.1
373.18512	0.5
391.19791	0.4
467.37363	67.6
468.37766	1.9
611.46088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.9
67.05512	5.4
69.03426	3.6
69.07066	2.7
70.06605	1.2
71.01358	0.8
71.05003	1.9
71.52452	0.8
73.02931	3.1
79.05500	5.7
81.03414	7.0
81.07066	6.2
83.04972	1.8
83.08646	1.6
83.18552	0.7
85.02904	4.0
87.04487	0.8
91.03961	2.3
91.05489	6.1
93.07048	5.7
95.04964	2.6
95.08591	3.0
97.02898	4.3
97.06550	3.1
99.04426	1.0
99.08102	0.8
101.02392	1.0
105.07060	3.7
107.04987	1.1
107.08633	3.1
109.06547	1.5
111.04503	0.7
111.08067	1.0
117.07067	1.0
119.08603	2.8
121.06561	0.8
121.10163	1.8
123.08099	1.0
127.03944	1.4
129.07060	1.4
131.08614	1.9
133.10150	2.2
135.11732	0.7
137.09709	0.9
143.08658	0.7
145.10179	1.2
147.11731	1.5
149.09663	2.1
157.10168	1.8
159.11754	0.9
163.03952	1.2
163.11229	0.9
165.09203	0.7
172.84810	0.6
173.05991	0.9
173.09595	0.6
174.25661	0.6
180.08528	0.6
187.03946	0.7
193.12337	2.0
239.10619	1.0
243.08501	1.8
259.86902	0.7
267.16031	1.9
283.15173	4.0
319.19547	0.7
339.17996	1.1
349.19836	5.7
439.19333	1.7
453.21118	1.0
501.23227	14.6
567.27820	6.3
729.87469	0.7
827.43976	100.0
828.44116	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	828.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.7
65.03936	6.4
67.05510	87.5
69.03441	9.7
69.07072	57.8
70.02537	5.3
71.01365	2.6
71.04996	8.7
73.02908	2.5
79.05501	95.3
81.03416	24.5
81.07062	100.0
83.04997	16.4
83.08631	19.8
85.02918	7.3
85.06554	5.1
86.06101	1.9
86.09700	3.5
91.05488	75.2
93.07050	88.8
95.04987	15.4
95.08614	50.5
97.02889	7.5
97.06528	23.3
97.10174	8.0
98.20705	2.0
99.04445	4.8
99.08101	5.4
103.05478	4.2
105.04550	2.4
105.07041	61.1
107.04964	16.0
107.08598	56.2
109.02874	2.9
109.06520	15.9
109.10179	16.6
111.04456	2.9
111.08092	9.4
111.11790	1.7
111.35779	2.0
112.33024	1.8
115.05444	3.7
116.06271	2.3
117.07022	29.6
119.08592	39.3
121.06552	11.3
121.10159	41.8
123.08086	12.5
123.11713	4.9
125.09641	9.8
127.03934	5.7
128.06261	3.8
129.05525	2.8
129.07005	13.4
131.08585	39.5
133.06477	3.5
133.10144	30.1
135.08058	23.5
135.11714	18.9
137.09615	8.1
139.11165	4.1
141.06976	6.4
142.07825	2.9
143.07060	4.1
143.08559	11.4
145.04938	2.7
145.06421	2.4
145.10133	37.6
147.08078	7.7
147.11714	15.1
149.09634	36.0
149.13264	9.7
151.07533	2.5
151.11200	6.3
153.09129	4.2
153.12766	1.7
154.07660	2.4
155.08585	9.0
155.10689	2.0
157.10175	9.8
159.08119	2.7
159.11696	18.7
161.09627	4.8
161.13301	6.2
163.11229	13.9
165.09131	4.1
167.08569	2.3
167.10680	8.3
169.10156	7.1
171.10251	2.2
171.11707	6.7
173.04436	3.5
173.09674	4.8
173.13313	7.3
175.11197	3.7
175.14813	2.6
177.09192	3.1
177.12772	5.1
179.14320	2.0
181.12216	2.5
183.11722	6.1
184.07350	2.9
185.11815	1.8
185.13283	6.8
187.11206	5.0
187.14873	5.8
189.11147	3.7
193.12199	2.9
195.11690	2.5
195.13831	5.2
197.13318	4.5
199.09659	5.0
199.14874	2.7
201.16383	10.3
207.13753	1.9
209.13309	2.4
211.14821	7.5
219.13702	2.0
219.17476	3.7
225.11243	2.4
227.12782	20.0
229.15979	18.2
239.12749	4.7
239.17807	2.5
241.14346	34.6
247.16939	23.2
249.14558	2.2
255.15952	8.2
257.19080	8.5
265.18079	4.1
267.15796	3.1
269.17493	34.1
275.20096	29.5
293.21240	2.7
303.19409	2.5
321.16901	3.6
321.20624	40.6
327.23303	2.6
331.22876	4.6
339.21655	7.6
349.23779	24.2
367.25003	5.6
385.18399	2.2
395.24393	3.0
405.27600	3.5
407.24185	3.0
421.25995	27.6
435.27448	36.8
497.32687	5.6
501.31973	8.3
515.26154	2.9
515.33710	49.7
519.33496	2.6
533.34680	13.0
579.31635	3.2
581.18781	2.1
595.40033	13.1
613.41211	11.7
659.38104	2.5
739.14758	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.2
60.08166	0.9
61.02930	8.7
61.51767	0.6
62.17900	0.6
65.03916	1.8
67.05508	57.7
69.03414	2.2
69.07076	6.1
69.25723	5.2
71.04965	2.1
71.07361	0.9
71.08633	15.5
73.02917	3.2
73.72933	0.6
79.05494	3.4
81.03421	1.3
81.07063	15.4
83.08172	0.6
83.08624	8.4
84.04481	0.6
85.02910	11.7
85.06536	1.3
85.10184	11.3
86.09707	8.1
89.06016	1.4
91.03959	7.3
91.05476	4.6
91.40081	0.5
93.07056	3.2
95.08614	16.8
97.02911	5.5
97.10163	3.7
98.98447	0.8
99.11755	0.9
103.07548	0.8
105.07033	1.1
107.08581	1.9
109.10163	64.6
111.08057	2.3
117.06938	0.6
119.08591	5.0
121.10147	0.7
123.11694	2.1
125.00002	4.5
125.09575	0.6
127.03929	2.8
127.04698	0.6
127.11217	0.7
133.10112	0.9
133.90439	0.6
135.11665	0.8
137.09616	3.4
145.04959	2.9
146.08102	1.6
155.10637	4.7
163.06018	4.2
173.11755	15.7
174.40564	0.6
183.80644	0.6
184.07350	23.2
193.64914	0.5
227.39014	0.6
229.14365	79.7
239.23637	2.4
257.24811	2.2
260.66953	0.6
275.20053	0.7
297.70447	0.6
307.23007	0.7
309.98935	0.6
313.27377	85.5
314.27655	1.1
316.04938	0.6
373.18713	1.2
383.01996	0.7
467.37363	100.0
468.37759	1.9
501.26559	0.8
530.41138	0.6
556.47046	0.7
611.40906	1.1
630.94525	0.6
724.35846	0.6
771.89270	0.6
826.52271	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	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	1.9
61.02930	2.3
65.03938	4.5
67.05507	78.2
68.99781	1.2
69.03434	17.0
69.07071	82.2
70.01089	3.3
70.01495	1.8
71.01355	1.3
71.04997	7.6
71.07375	1.5
73.06585	1.5
79.05496	100.0
81.03422	17.7
81.07059	82.1
83.04982	13.7
83.08623	16.7
85.02910	5.1
85.06519	3.3
86.09695	8.4
91.05482	79.7
93.07046	80.2
94.39684	1.2
95.04966	17.7
95.08610	49.1
97.02896	19.0
97.06530	24.6
97.10180	12.2
99.04460	1.4
99.08102	3.5
103.05460	2.3
105.04503	2.9
105.07035	50.5
106.43724	1.2
107.04958	22.5
107.08595	45.6
109.02882	3.0
109.06510	10.9
109.10158	18.7
111.04459	1.9
111.08071	6.6
113.05980	1.4
115.05441	6.3
116.06256	2.4
117.07022	29.2
119.04989	3.1
119.06184	1.1
119.08581	52.4
121.06512	9.0
121.10144	61.2
123.08078	16.5
123.11707	3.7
125.00022	5.1
125.06005	5.8
125.09631	12.4
127.03935	3.2
128.06212	5.8
129.05560	2.6
129.07008	19.4
130.07828	1.5
131.08566	43.7
133.06496	10.5
133.10136	32.8
134.07314	1.3
135.04539	1.2
135.08060	17.9
135.11674	12.9
137.03490	1.2
137.09587	7.7
139.11189	2.9
141.06989	3.9
141.09169	1.9
142.07742	2.8
143.07065	9.1
143.08559	18.7
144.09425	1.1
145.06454	2.3
145.10130	23.7
147.08051	16.7
147.11670	14.4
149.09627	39.2
149.13269	6.5
151.07558	6.0
151.11192	3.5
153.09132	2.0
155.08575	4.2
157.10146	14.3
159.08070	2.3
159.11714	15.8
161.09651	10.2
161.13271	7.3
162.10497	1.3
163.11212	9.4
165.09097	7.8
165.12801	1.6
167.08569	2.3
167.10736	3.4
169.10178	6.9
170.10912	2.2
171.10236	2.4
171.11705	7.9
173.04507	2.9
173.09673	3.6
173.13249	5.6
175.07614	2.6
175.11229	5.5
175.14897	2.0
177.09119	4.4
177.12766	4.8
179.07036	2.7
179.14316	1.5
181.10181	1.8
181.12296	1.5
183.11745	3.7
184.07355	21.9
185.09666	1.4
185.13275	4.0
185.17328	1.4
187.11194	5.0
187.14775	2.6
189.09186	1.8
189.11214	6.9
189.12685	2.8
189.16373	8.8
191.14177	1.4
195.10170	1.7
195.13774	5.7
199.09671	10.8
199.14815	13.8
201.12822	1.8
201.16364	8.4
203.14352	2.0
205.12134	2.0
211.14912	2.4
215.14352	1.2
217.15874	12.1
219.17531	1.5
221.11716	1.4
223.13310	11.8
225.11203	7.7
227.12544	13.6
227.14653	2.9
229.15974	10.2
229.19586	1.6
237.78229	1.2
239.12820	3.7
241.14331	10.4
245.15475	21.7
245.19084	1.6
247.16954	11.0
249.14854	2.2
255.15910	5.9
257.18985	5.7
263.16403	11.1
265.17975	2.4
269.17432	17.9
273.18549	12.0
275.20059	25.0
291.19537	65.3
293.20883	2.1
319.19086	4.0
321.20651	13.5
331.22751	1.7
337.20090	45.6
339.21637	1.7
347.22290	3.0
349.23712	25.0
365.23251	33.3
367.52997	1.2
393.22546	1.7
419.24420	1.9
433.27036	1.5
491.30115	4.6
513.32349	6.5
517.31592	23.4
531.33191	73.9
532.33893	1.8
583.40387	1.6
593.38281	3.6
611.39380	36.4
629.40533	7.0
675.36774	1.6
808.49908	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	826.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	2.9
61.02932	2.0
65.03934	4.7
67.05507	81.9
69.03145	1.6
69.03436	18.1
69.07072	73.1
71.04991	6.3
73.02899	2.6
73.06525	1.8
74.09705	1.6
79.05498	95.2
81.03060	1.6
81.03430	18.0
81.07059	95.3
82.07371	2.3
83.04987	16.9
83.08633	14.2
84.08140	3.5
85.02895	5.5
85.06531	5.0
86.09702	16.6
91.05485	79.1
93.07048	95.3
95.04976	20.1
95.08612	53.1
97.02886	12.0
97.06540	22.2
97.10185	10.1
97.10709	2.1
98.98486	1.8
99.04459	3.5
99.08065	2.8
103.05444	3.4
105.04531	1.8
105.07038	55.3
107.04967	24.6
107.08598	50.5
109.02883	3.4
109.06530	12.0
109.10166	24.7
111.08089	8.6
113.05985	2.0
115.05504	3.1
115.66922	1.9
117.07032	28.5
119.04935	1.7
119.08589	47.3
121.06516	11.4
121.10152	49.6
123.04433	2.5
123.08054	22.8
123.11691	5.5
125.00027	11.1
125.05969	3.7
125.09634	10.7
127.03939	3.8
128.06219	5.3
129.05472	3.2
129.07021	17.1
130.07787	2.6
130.08644	4.4
131.08572	46.7
133.06523	8.5
133.10149	45.8
135.08054	26.8
135.11682	10.6
137.09599	7.0
137.25134	1.6
139.07576	3.6
139.11192	3.3
141.07005	4.1
142.07805	3.2
143.07053	9.1
143.08571	12.7
145.06493	2.2
145.10129	26.9
146.23030	1.8
147.08041	13.8
147.11699	11.5
149.09630	35.4
149.13254	9.0
151.07547	9.3
151.11201	12.5
153.09103	5.2
154.75589	1.8
155.08553	4.8
156.09334	2.2
157.10155	13.1
159.08072	2.4
159.11690	13.9
161.09601	9.8
161.13214	9.1
163.07509	2.8
163.11198	8.1
163.14732	2.0
165.09178	8.5
165.12733	1.9
167.10692	5.1
169.08809	2.3
169.10143	7.7
171.10291	3.4
171.11719	6.4
173.04492	2.7
173.09596	3.2
173.13258	7.1
175.07440	2.6
175.11166	4.6
175.14873	3.1
177.09119	5.4
177.12802	4.5
181.10086	2.0
183.11694	3.8
184.07364	57.5
185.09637	4.4
185.13235	5.6
187.11124	4.5
187.14798	4.5
189.11252	3.8
189.16412	4.8
195.10086	1.9
195.13835	5.9
196.73152	1.8
197.13310	2.5
199.09656	12.4
199.11249	2.4
199.14827	11.5
201.16466	8.7
203.14275	2.5
204.88322	1.8
209.13463	1.8
211.14833	5.7
211.43596	1.8
217.15904	11.8
219.17474	2.2
223.13231	11.3
225.11230	13.9
227.12645	9.6
227.14668	2.6
229.15834	11.6
239.12856	2.9
239.17924	2.5
241.14301	20.6
245.15422	11.1
245.18968	3.0
247.16946	10.1
249.14919	2.0
253.14378	25.3
255.15656	3.9
257.19122	2.1
263.16449	9.2
263.20215	2.0
269.17493	25.2
269.90381	1.6
273.18500	23.0
275.20032	13.2
291.19550	70.3
293.21210	2.4
303.19513	2.2
319.19070	3.8
321.20575	20.1
337.20132	31.1
339.21829	3.4
347.22195	7.5
349.23663	13.2
365.23242	41.1
393.23401	2.5
433.26230	3.0
437.25275	5.9
473.28680	2.4
491.29697	2.3
499.30246	4.2
513.32062	6.5
517.31641	30.0
531.33234	100.0
532.33466	2.7
579.77472	2.0
593.38727	4.3
611.39459	28.1
629.40594	10.9
747.03540	1.9
808.50854	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	826.495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12460	1.9
60.15366	2.1
65.03929	5.7
67.05508	73.0
69.03430	10.4
69.06735	2.8
69.07069	40.4
71.04981	5.7
71.52525	2.8
73.02904	3.5
79.05492	76.1
81.03422	15.4
81.07058	100.0
83.04984	13.9
83.08619	9.2
85.02893	6.2
85.06522	6.9
86.09681	5.0
91.05488	76.6
93.03374	2.2
93.07048	64.8
95.04969	17.6
95.08609	58.8
97.02860	6.4
97.06532	17.2
97.10177	3.5
99.04454	2.7
99.08092	3.0
103.05434	4.0
105.04499	3.3
105.07033	60.9
107.04967	20.3
107.08600	47.6
109.06535	12.7
109.09470	3.1
109.10160	35.3
111.04430	3.1
111.08062	5.2
115.05463	1.6
117.07014	23.6
117.31579	1.6
119.08589	29.0
121.06529	14.1
121.10150	23.9
123.04440	1.7
123.08075	29.6
123.11715	9.4
124.99981	4.1
125.09589	3.7
127.03936	1.9
128.06174	2.4
129.05473	2.3
129.06987	12.4
130.07765	2.7
131.08575	35.3
133.06454	6.9
133.10133	66.8
135.08066	28.8
135.11699	11.0
137.09616	8.0
137.52576	1.7
141.06972	5.1
141.09067	2.3
143.07045	6.3
143.08548	11.0
145.06506	2.7
145.10126	23.0
147.08051	9.4
147.11623	8.4
149.09631	30.2
151.07544	9.5
151.11183	28.6
153.08992	2.4
155.08533	4.5
157.10159	8.1
159.08005	3.3
159.11707	8.5
161.09613	7.8
161.13184	3.3
163.11180	5.7
165.09106	4.4
166.03427	1.8
169.08653	2.2
169.10143	5.4
169.12202	6.7
171.10213	3.4
171.11697	7.4
173.09560	2.6
173.13330	4.1
175.11159	3.7
177.09084	4.9
177.12755	3.4
179.10695	2.0
183.10257	2.1
183.11742	3.8
184.07344	17.3
185.13228	4.8
187.11163	3.0
187.14738	2.4
195.11807	2.4
199.09688	11.8
199.14879	4.6
201.16330	7.7
209.13330	2.3
211.14825	4.6
215.12737	3.0
225.11227	34.0
227.12784	5.2
229.15886	14.9
231.17418	2.8
241.14427	11.5
245.10611	1.8
245.15320	7.0
245.18887	3.4
247.16974	14.1
252.15910	1.9
253.14349	78.3
257.18970	3.3
263.16290	5.4
263.19867	2.0
269.17480	6.9
271.15451	5.9
273.18549	19.3
275.19986	7.0
278.59665	1.8
291.19522	20.4
293.21002	1.8
309.20609	2.3
321.20618	22.3
337.19928	7.9
339.21652	2.5
347.22189	7.1
349.23630	7.9
365.23248	23.5
401.23523	1.9
411.46039	2.0
419.24103	2.7
423.24008	2.0
430.71796	2.0
437.25476	12.6
485.34189	1.7
499.30515	4.6
513.32153	5.8
517.31604	20.8
531.33325	33.8
582.43402	2.8
611.39819	16.9
629.40765	4.3
678.84369	2.1
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
61.02926	2.4
65.03927	2.0
67.05508	42.4
69.03427	1.9
69.07069	17.8
69.91543	5.1
71.04987	2.5
73.02927	1.2
79.05499	41.3
81.03415	2.8
81.06596	2.2
81.07062	37.0
83.04974	3.6
83.08627	7.9
84.04509	1.9
85.02936	2.3
85.06559	1.9
91.03939	1.9
91.05489	39.8
93.07051	43.5
95.04971	4.7
95.08608	31.0
97.02908	2.1
97.06511	3.5
97.10148	3.6
100.07536	1.0
103.05529	1.9
105.04524	1.8
105.07036	43.2
107.04977	1.3
107.08591	26.4
109.02898	1.2
109.06521	1.8
109.09477	1.5
109.10159	13.8
111.08091	2.2
115.05435	2.1
116.06254	1.2
117.07024	19.6
119.08586	31.9
121.10149	19.4
123.08050	1.9
123.11709	3.0
125.09641	1.7
128.06216	3.2
129.05498	1.8
129.07005	15.2
130.07773	1.5
131.08578	26.0
133.10135	22.7
135.08012	1.3
135.11684	10.4
141.06998	6.1
142.07730	2.0
143.08586	15.6
143.86414	1.1
145.10133	25.0
146.08093	2.1
147.11690	15.6
149.13309	5.1
153.12801	1.4
155.08583	8.9
156.09343	1.3
157.10124	14.3
159.11713	17.4
161.13252	7.4
163.14786	2.0
167.08505	2.7
168.09433	1.8
169.10132	12.8
171.11693	14.9
173.13249	10.0
175.11246	1.8
175.14774	3.5
179.08527	1.5
181.10117	6.3
182.10902	1.4
183.11700	12.6
185.09698	1.6
185.13232	9.8
187.14835	5.0
189.16373	2.2
193.10199	2.5
195.11723	6.6
197.13252	9.1
199.14830	6.0
201.16446	1.7
207.11705	2.4
209.13240	3.8
211.14795	6.8
213.16473	6.4
215.18005	1.4
221.13263	2.9
223.14771	3.7
225.16393	3.2
227.18045	2.0
229.19508	1.1
235.14819	1.7
237.16399	3.6
239.18004	1.8
241.19751	1.8
247.14903	1.2
249.16139	1.2
251.18015	1.9
257.18970	5.3
259.20557	6.3
261.22104	1.1
271.20700	1.7
271.38815	1.4
271.69208	1.1
275.20013	3.0
297.21869	1.3
315.23303	1.1
315.48718	1.2
333.24277	6.7
335.25644	3.2
339.23282	1.6
341.24741	1.2
349.23734	1.8
351.26773	2.7
353.24844	1.4
381.28024	1.4
435.32483	1.5
447.32452	2.3
473.32779	1.3
501.35883	1.5
515.37830	1.6
517.40387	8.4
527.37451	1.7
535.41223	4.8
539.37128	2.4
540.37671	1.8
581.41663	1.6
591.43964	9.3
609.45160	100.0
610.45282	2.3
717.46954	1.2
771.49750	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.6
61.02887	1.7
65.03941	4.0
67.05508	92.6
69.03421	6.1
69.07070	33.1
69.92721	7.2
71.04990	5.4
71.08620	1.7
73.02940	2.0
75.08862	1.3
77.03899	1.6
79.05496	71.7
81.03435	7.4
81.07057	94.1
83.04993	10.0
83.08627	17.6
85.02898	6.4
85.06544	4.2
89.80080	1.5
91.05485	62.3
93.07043	80.7
95.04986	13.9
95.08609	64.0
97.02893	6.1
97.06532	14.2
97.10164	16.5
99.08077	2.2
103.05452	3.2
105.04515	4.2
105.07034	46.5
107.04974	7.1
107.08598	51.2
109.02891	2.8
109.06525	10.4
109.10155	26.1
111.04484	1.8
111.08067	5.4
113.09648	2.8
117.07020	20.1
119.08590	45.6
120.15845	1.4
121.06518	3.1
121.10143	28.0
123.08074	4.7
123.11732	7.9
125.09637	13.6
127.03920	3.7
127.07594	1.6
128.06223	1.4
129.07007	7.1
130.07845	1.8
131.08557	26.3
133.06496	1.7
133.10138	24.9
135.08072	4.3
135.11699	16.7
137.09625	3.2
137.13226	2.4
141.06981	1.7
143.08580	7.0
145.04956	2.3
145.06543	1.4
145.10130	25.1
145.11273	1.5
147.08058	1.7
147.11697	17.2
149.09642	11.4
149.13240	9.2
151.11172	3.4
155.08563	2.9
157.10115	6.8
159.11702	18.5
161.13242	11.1
163.11200	8.7
163.14813	3.2
169.10126	5.0
171.11717	5.6
173.11858	2.6
173.13283	9.0
175.11206	2.1
175.14833	3.6
177.12773	2.4
183.11638	3.3
184.07378	1.9
185.13232	6.8
187.11180	2.2
187.14850	5.2
189.11252	6.9
189.12715	1.7
197.13307	2.1
199.14778	2.7
203.14397	2.0
215.17932	1.5
219.17563	2.8
223.13258	3.8
227.12737	15.4
229.14302	5.4
229.19528	3.8
239.17947	4.8
243.21080	3.7
247.20729	2.9
255.15897	4.0
257.18961	12.2
259.20816	2.6
261.22171	14.5
267.15857	2.2
269.17404	10.5
275.20062	42.7
293.21158	6.2
313.27625	1.5
317.24759	1.8
331.22626	4.2
333.24231	4.6
335.25812	100.0
336.26175	2.6
349.23721	49.1
367.25043	6.8
487.33502	1.8
489.35626	5.6
505.34976	3.5
515.37286	5.3
529.38776	12.2
535.41699	1.4
569.41772	5.2
609.45166	58.8
610.45001	2.8
627.46161	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45478	0.7
59.05004	0.7
61.02918	3.2
65.03950	6.0
67.05508	87.3
67.60931	0.6
68.85455	0.9
69.03430	8.5
69.07072	27.9
69.34539	1.3
69.34950	4.6
71.04652	0.6
71.04990	5.0
73.02914	1.7
74.09659	0.7
77.03956	1.4
79.05499	65.2
81.03427	9.0
81.07063	89.4
82.07394	1.0
83.04984	9.6
83.08620	15.2
85.02919	5.4
85.06546	3.5
86.09692	2.1
87.04476	1.2
91.05484	46.6
92.05042	0.7
93.07048	71.7
95.04981	9.3
95.08614	57.7
97.02892	4.6
97.06532	11.6
97.10185	5.6
98.21513	1.7
99.04451	1.4
99.08101	3.2
103.05436	2.0
105.04518	2.3
105.07040	38.6
107.04965	4.7
107.08600	37.5
109.02905	1.7
109.06544	5.1
109.10153	22.3
111.04434	1.0
111.08083	5.0
113.09674	1.2
115.05450	2.1
117.06226	1.4
117.07024	19.1
119.06058	0.6
119.08589	31.6
121.06516	3.7
121.10149	29.3
121.17414	0.7
123.08063	3.8
123.11710	7.4
125.00008	1.3
125.09624	2.4
127.03919	3.0
128.06198	1.6
129.07014	5.3
130.07735	0.9
131.08574	24.1
133.06526	1.4
133.10144	24.8
135.08028	3.4
135.11702	19.0
137.09610	2.9
137.13287	2.0
141.06956	2.0
143.08554	5.6
144.09351	2.0
145.04973	1.5
145.06502	1.3
145.09061	1.2
145.10132	17.3
147.08058	1.7
147.11707	12.9
149.09634	7.7
149.13268	12.6
151.11180	2.6
153.12845	0.9
155.08575	2.3
156.09282	1.0
157.10141	6.4
159.11707	17.6
161.09642	1.8
161.13261	7.9
163.11169	4.0
163.14816	2.4
165.09190	0.9
165.12885	0.9
169.10158	3.7
171.11687	4.7
173.04477	2.4
173.09708	0.8
173.11784	1.9
173.13243	9.2
175.11194	0.9
175.14890	2.6
177.12730	3.7
177.16379	1.6
179.14299	2.0
181.12311	0.9
183.11736	3.6
184.07379	4.3
185.07767	0.9
185.13260	3.6
187.14783	3.3
189.11269	1.7
189.12804	0.7
189.16409	1.4
191.14336	1.0
195.12109	1.0
195.13840	4.7
197.13287	2.2
199.14807	2.7
201.12856	0.9
201.16385	1.9
203.14345	2.1
211.14790	1.1
213.16449	1.1
215.18031	1.7
217.15833	2.5
219.17441	2.0
227.12808	3.0
229.14391	3.1
229.19553	1.4
235.17038	1.7
237.16391	0.9
239.18019	3.3
243.21147	3.2
247.20639	1.4
255.15930	7.4
257.19052	6.7
259.20685	2.2
261.22156	9.5
267.15936	2.6
269.17477	25.0
273.18521	1.4
275.20065	25.1
277.21570	1.1
283.18958	1.0
291.19617	1.4
293.21075	2.2
303.15930	1.0
307.83929	0.7
309.20581	3.7
315.23245	0.8
317.24826	3.2
331.22531	2.6
333.24197	2.3
335.25821	100.0
336.26196	1.3
337.16052	0.8
349.23737	24.0
351.25778	1.0
367.24808	4.5
413.21408	1.2
455.35477	1.1
489.35831	4.3
515.37317	13.7
516.38116	0.8
517.40063	1.2
527.36511	1.0
529.38940	54.1
530.39032	1.4
543.40088	2.0
569.42035	17.4
609.45166	27.7
610.45544	1.3
627.46130	8.8
673.43414	1.3
729.73035	0.9
771.50793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.0
57.07055	2.3
64.49773	1.8
65.03928	3.1
67.05511	47.6
69.06733	2.1
69.07073	27.0
71.04982	2.0
72.35554	1.7
79.05499	44.0
81.03416	8.5
81.07059	53.1
83.04967	7.7
83.08611	7.6
84.08138	2.4
85.06536	2.4
86.09690	1.9
91.05485	72.0
91.96183	1.7
93.07050	47.8
93.29131	2.0
95.01318	5.9
95.05000	11.7
95.08606	35.4
97.06533	19.0
97.10184	3.2
98.20692	2.8
103.05434	2.3
105.07037	88.7
107.04964	16.0
107.08607	22.2
109.06511	5.2
109.10139	10.8
109.96651	1.8
113.05955	2.1
115.05477	2.7
117.07027	15.9
119.06222	1.7
119.08588	51.1
121.06474	2.8
121.10160	15.0
123.08056	4.5
126.01347	1.8
128.06242	2.6
129.05542	2.5
129.06979	6.5
131.08591	26.7
133.06473	1.9
133.10138	51.5
135.08032	4.1
135.11696	11.2
137.09608	2.2
143.08575	7.2
145.06406	1.9
145.10124	24.5
147.11690	25.9
149.09564	4.8
149.13251	6.1
157.10117	6.3
159.11694	13.8
161.13252	11.6
163.11166	4.8
169.10094	2.2
171.11705	10.4
173.13264	7.3
175.11237	2.3
175.14780	5.3
179.14345	8.8
183.11740	1.9
184.07397	3.5
185.13318	3.3
187.11176	4.6
197.13284	2.5
199.14720	2.6
209.15364	2.2
216.24251	1.9
229.56242	2.1
241.19496	15.3
257.18973	8.3
259.20596	24.7
263.12463	2.1
275.20087	53.8
293.20978	4.2
315.23209	8.0
333.24252	52.8
349.19791	3.6
349.23773	45.9
432.77316	2.1
513.35706	4.0
530.20117	2.1
579.27832	2.3
607.43634	100.0
608.43652	4.0
625.44519	13.5
822.47247	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.8
57.07061	2.6
60.08149	3.2
60.66474	1.0
65.03935	3.0
67.05507	61.7
69.03434	7.4
69.07068	35.2
70.11147	4.7
71.04982	2.3
71.07365	2.3
77.03953	1.8
79.05495	45.8
81.03427	4.9
81.07060	55.7
83.04977	5.8
83.08620	12.7
85.02925	1.5
85.06541	1.6
86.09712	12.1
91.05482	30.7
93.07047	46.6
95.04971	8.4
95.08607	40.4
97.02887	10.6
97.06541	6.0
97.10172	14.2
98.20908	1.1
98.98481	2.0
105.04492	1.6
105.07033	23.1
107.04954	5.9
107.08601	28.0
109.06525	3.3
109.10173	17.0
111.04468	1.3
111.08069	3.4
117.07020	11.8
119.04897	1.4
119.08582	16.4
121.06504	2.9
121.10151	16.3
123.08085	4.1
123.11708	3.4
125.00037	8.0
125.09646	9.3
128.06171	1.2
129.07031	2.4
131.08559	12.2
133.06511	4.2
133.10114	9.1
134.07288	1.3
135.08078	5.2
135.11699	9.6
137.09612	2.7
143.08568	4.3
145.10133	10.1
147.08051	4.6
147.11687	6.1
149.09680	1.8
149.13277	5.9
151.11224	1.4
153.12689	1.2
157.10121	2.7
159.11714	5.7
161.09641	2.9
161.13252	3.3
163.11198	2.0
163.14850	1.6
165.09145	1.9
171.11650	1.4
173.09538	1.3
173.13326	4.2
175.11188	2.1
177.12825	1.6
184.07349	35.3
185.13181	1.6
187.14825	1.3
189.11188	3.6
189.12769	1.1
205.12286	1.8
216.40581	1.2
217.15862	1.1
223.13272	19.1
227.12804	3.5
233.41605	1.1
243.21085	2.7
249.14876	2.8
261.22226	8.0
273.18552	12.4
277.21402	1.2
291.19553	98.9
292.19760	1.3
293.27805	1.1
309.20688	1.2
317.24710	2.4
335.25806	95.6
347.22165	2.0
365.23224	55.4
366.23547	1.6
474.38751	1.0
505.34875	1.5
545.38239	4.5
607.43427	2.6
625.44604	100.0
626.44897	4.2
689.41949	1.2
704.48529	1.2
769.46417	1.3
822.57806	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	818.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
61.02932	0.2
67.05510	0.2
69.03432	1.3
70.06602	0.7
71.38065	0.1
72.08169	0.2
78.03034	0.2
78.03463	1.5
78.36049	0.1
79.05498	0.5
80.05036	0.3
81.03428	1.4
83.04988	0.3
84.08159	0.4
85.02901	0.6
86.09704	0.3
86.96273	0.1
91.05490	0.5
95.04984	0.3
95.56883	0.1
96.04485	0.4
97.02898	100.0
98.03240	0.3
99.04467	0.2
103.05495	0.3
105.07023	0.3
106.02917	6.1
107.04976	0.8
107.08624	0.2
110.07121	0.1
115.05452	0.6
117.07022	1.1
120.08101	0.2
121.06513	0.2
123.04446	0.2
124.03963	9.2
128.06284	0.2
129.07022	0.4
131.08611	0.4
132.53639	0.1
135.04385	0.2
136.06366	0.2
141.07036	0.2
143.04913	0.1
144.05737	0.2
145.06500	3.1
145.10085	0.2
151.07611	0.2
153.05550	0.1
155.06064	0.6
156.05759	0.6
157.06541	0.3
159.08066	0.5
161.05963	0.3
165.07039	0.1
165.25076	0.2
167.07054	3.4
173.05997	4.3
175.07571	0.3
181.05031	0.2
184.05202	0.2
187.07582	0.5
190.06265	3.0
193.08633	0.2
195.13490	0.1
196.06104	0.3
197.09871	0.1
202.06277	0.4
203.07085	0.5
205.08620	5.7
207.06535	0.1
217.08621	3.1
219.08141	0.1
219.10225	0.3
220.06067	27.1
221.06441	0.3
223.09744	0.2
235.07489	0.2
235.09622	1.3
238.07130	5.5
239.07190	0.1
243.88879	0.1
247.07509	0.2
247.09769	0.4
248.08415	0.2
254.06711	1.0
256.08109	0.5
256.49799	0.1
265.10797	1.2
269.08206	0.2
271.09689	0.2
280.08167	0.2
291.10010	0.2
307.09311	0.2
315.08643	0.4
321.07657	0.2
330.10989	0.6
331.11868	0.3
351.12372	0.2
364.10202	0.2
371.14886	0.3
382.11636	0.2
383.14923	0.9
400.12421	24.2
401.16003	0.5
579.37567	0.1
600.17975	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	17.9
59.05009	1.2
61.02925	1.8
62.28898	1.1
65.03940	3.9
67.05506	50.5
69.03432	9.9
69.07065	25.3
70.06592	1.3
70.80587	1.4
70.80933	2.8
71.04997	11.5
73.02907	2.1
75.92599	1.2
79.05495	49.7
81.03418	87.3
81.07056	64.7
83.04966	12.6
83.08618	24.9
85.02904	6.6
85.06551	4.0
91.03963	1.3
91.05483	44.3
93.07047	41.9
95.04972	37.9
95.08603	24.3
97.02911	7.0
97.05920	2.3
97.06528	36.0
97.10169	22.0
99.04459	2.3
99.08082	3.5
101.02350	1.2
103.05459	2.0
105.04522	2.0
105.07032	34.7
107.04961	14.6
107.08589	26.0
108.14118	1.0
109.06518	19.9
109.10158	14.0
109.28519	1.2
111.04451	9.2
111.08078	13.2
113.05994	1.3
115.05460	2.4
115.07576	9.9
117.07018	15.1
119.04944	2.2
119.08587	28.0
121.06500	11.8
121.10140	16.2
123.04415	2.7
123.08048	14.5
123.11732	2.9
125.05985	1.8
125.09624	19.9
127.03892	2.8
128.06255	3.2
129.07002	16.9
131.08568	24.0
133.06520	7.6
133.10121	17.2
135.08060	11.7
135.11681	8.7
137.09634	6.6
139.07520	1.6
139.11220	2.4
141.06972	2.3
142.07796	3.6
143.08545	9.4
143.10687	1.7
145.06487	4.5
145.10121	17.6
147.04355	1.6
147.08055	10.0
147.11670	12.5
149.05943	1.1
149.09613	11.0
149.13269	3.7
151.11176	2.3
153.09105	5.2
153.12694	2.4
155.08566	3.7
157.06538	1.4
157.10143	15.0
159.08073	5.9
159.11690	7.9
161.09567	7.4
163.11186	12.4
165.09129	2.3
165.12793	2.3
169.10136	4.0
171.08089	2.2
171.10266	1.8
171.11674	3.7
173.04456	2.0
173.09621	4.4
173.13210	1.7
175.11154	12.9
176.36502	1.3
177.09186	1.3
177.12761	3.6
181.10074	2.5
181.12225	4.1
183.08099	1.1
183.11751	2.8
185.09598	2.3
185.13281	3.3
187.07469	1.2
187.11165	3.3
189.09488	1.6
189.11232	10.6
189.12744	2.1
189.16444	1.3
191.10741	3.0
193.12241	25.9
195.11766	2.1
195.13776	2.2
197.13306	1.8
199.11169	1.7
199.14874	2.1
201.12761	2.3
203.14328	1.5
209.13335	2.1
211.13351	3.1
217.12158	1.4
217.15872	5.0
219.13850	6.0
221.13261	1.4
221.15340	1.7
223.13271	3.1
225.14659	1.4
227.12733	12.2
227.17957	2.5
229.14221	2.3
233.15331	2.2
237.16426	1.5
245.19064	3.2
249.14879	3.5
253.14288	1.2
255.15506	1.6
255.17661	2.2
267.15909	91.0
269.17480	8.4
271.16959	2.0
273.18512	25.4
275.20111	1.7
283.15533	2.0
289.18063	2.2
291.19528	34.1
307.19281	1.7
309.20465	6.6
313.21616	3.6
319.15286	1.5
329.21121	3.2
347.22241	9.1
353.21152	1.2
365.23209	19.3
369.24078	2.5
383.24332	13.3
395.25858	1.3
403.24588	1.8
407.24899	2.2
421.25845	2.7
433.25827	2.5
435.27292	3.7
443.27777	5.7
445.29492	1.2
447.27866	10.4
456.25009	1.1
459.27222	2.2
461.22644	1.5
461.29037	22.7
463.30713	1.8
465.30106	8.0
471.27463	2.8
473.29132	1.6
483.30853	6.1
485.28561	1.8
487.30420	3.8
489.28745	3.7
493.31366	4.4
499.30576	3.9
501.32614	2.7
503.30505	1.2
515.29938	1.4
521.32599	1.9
529.34937	3.7
539.33624	25.1
557.34766	100.0
558.34515	2.8
575.35791	60.5
576.36176	2.2
589.36896	4.7
599.35742	2.2
607.37671	1.9
618.84015	1.4
683.37543	2.0
719.38959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	6.3
67.05505	0.6
69.07075	0.4
71.07379	4.0
71.08630	0.2
71.52851	0.2
79.05501	0.9
81.07050	0.9
83.04987	0.2
84.08151	0.2
86.09709	31.3
91.05495	0.6
93.07052	1.0
95.04922	0.3
95.08611	0.9
97.06551	0.3
98.98467	3.6
104.10750	3.0
105.07051	0.5
107.08595	0.4
108.66786	0.2
109.10157	0.3
119.08575	0.4
121.10057	0.2
125.00013	22.2
184.07349	100.0
185.07703	0.5
335.25885	0.3
341.75122	0.2
423.19162	0.2
655.08643	0.2
794.53235	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	814.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.2
58.06631	0.3
58.77993	0.1
60.08166	6.3
60.97450	0.1
67.05511	0.6
69.07057	0.2
70.06591	0.2
70.20518	0.5
70.73980	0.1
71.07378	3.3
72.75293	0.1
79.05495	0.6
81.07066	0.5
83.08641	0.2
86.09709	31.5
91.05510	0.4
93.07033	0.7
95.08620	0.3
97.06528	0.3
98.98465	3.7
104.10744	1.8
105.07085	0.2
107.08634	0.2
119.08633	0.2
121.10150	0.3
125.00009	21.2
133.10112	0.2
143.00990	0.2
157.09863	0.1
161.58469	0.1
184.07347	100.0
185.07631	0.4
344.81458	0.1
453.41553	0.1
466.53891	0.1
518.31689	0.2
778.53809	10.4
779.53656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	22.6
57.07073	3.6
60.08184	2.3
60.93040	2.0
61.02923	4.7
62.45620	2.1
64.81779	1.7
65.03940	4.4
67.05510	85.6
69.03437	20.3
69.07074	54.9
69.07420	1.5
71.04995	17.0
71.52634	2.4
73.02917	8.0
77.03916	2.0
79.05498	100.0
81.03431	24.1
81.07065	80.1
83.04979	13.2
83.08617	12.4
85.02895	9.7
85.06536	5.8
86.09718	8.9
91.05491	67.1
93.07050	89.1
95.04986	19.6
95.08623	49.6
97.02894	13.7
97.06538	81.7
97.10164	4.3
99.04460	3.3
99.08105	7.0
105.04592	3.1
105.07033	38.5
105.07700	3.4
107.04960	8.4
107.08611	36.3
109.02891	5.5
109.06532	18.7
109.10171	21.0
111.04494	3.7
111.08093	6.8
113.05959	3.7
115.05477	4.3
115.07576	26.1
117.07018	19.1
119.08598	28.8
121.06540	8.0
121.10157	38.3
123.08083	8.8
123.11729	5.2
125.00024	6.4
125.09620	4.4
127.03926	8.1
127.07536	2.4
128.06233	3.7
129.05482	2.8
129.07014	9.3
131.08572	28.9
133.06459	5.1
133.10133	32.2
135.08051	7.0
135.11729	18.2
136.06165	3.2
137.09595	4.4
141.06984	3.8
143.08553	9.3
145.10126	20.7
147.08046	4.6
147.11691	12.9
149.06154	2.1
149.09654	7.7
149.13277	15.2
151.11226	4.3
155.08595	3.1
157.10162	7.8
159.11699	14.9
161.09633	5.4
161.13278	3.9
163.11176	5.4
166.95273	2.2
169.10222	2.3
171.11707	9.1
173.04498	7.8
173.13324	7.0
175.11191	3.5
175.14792	2.3
177.12785	5.2
183.11700	3.3
184.07359	31.7
185.13232	4.9
187.11208	2.7
189.12846	4.0
205.12370	2.4
211.14809	2.8
213.16476	4.1
214.38258	2.1
215.17967	13.0
217.15833	7.4
227.17853	3.8
231.17403	3.3
233.15469	3.6
233.18997	9.1
241.10663	2.6
245.19153	4.3
251.16542	2.2
269.17499	14.7
273.18497	27.3
275.20041	2.6
291.19614	14.5
297.17032	2.2
307.19107	5.0
307.22675	88.0
335.26187	3.5
347.22153	8.7
349.23700	2.7
365.23163	12.2
412.87497	2.3
487.34256	2.9
501.35739	23.9
503.34277	2.6
527.98462	2.5
529.35236	2.5
543.36780	2.5
579.40533	7.2
597.41602	28.0
615.42499	9.6
640.45313	4.5
759.46747	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	812.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	21.4
57.07078	3.7
61.02918	5.2
65.03941	3.7
67.05508	77.1
69.03423	7.8
69.07075	37.0
69.51340	2.0
71.04987	9.4
71.52453	2.9
75.89025	1.9
77.03918	3.0
79.05497	74.6
81.03426	13.8
81.07062	85.3
83.05000	12.0
83.08622	14.6
85.02899	4.1
85.06536	7.7
86.09666	3.8
87.99417	1.8
91.05486	100.0
93.07049	72.1
95.04964	12.1
95.08615	49.6
97.02893	6.0
97.06544	12.7
97.10176	8.3
99.08112	4.4
103.05447	3.1
105.04532	2.1
105.07039	80.6
106.10843	2.2
107.04951	7.3
107.08603	45.6
109.06521	8.9
109.10160	17.9
111.08080	6.1
113.05996	2.4
114.24129	2.1
115.05461	5.9
116.06139	2.2
117.07014	28.9
119.08586	58.6
121.06551	2.9
121.10155	28.9
123.08044	6.0
123.11726	6.5
125.00038	2.2
125.09614	3.7
127.03947	2.2
128.06200	6.7
129.07022	30.7
130.07790	5.0
131.08574	40.3
133.06496	2.4
133.10139	77.5
134.10457	2.4
135.08046	5.8
135.11696	20.4
137.09613	5.8
139.11243	3.2
141.07007	6.5
142.07765	7.5
143.08566	21.8
145.10132	42.5
145.41385	2.2
147.08025	3.3
147.11696	41.2
149.09616	15.2
149.13245	8.9
153.09164	2.0
155.08530	8.9
157.10127	30.1
159.08107	2.4
159.11700	20.7
161.09601	4.4
161.13245	7.4
163.11194	6.5
167.08572	6.2
169.10126	14.0
171.11700	26.7
173.09628	3.3
173.13332	11.0
175.11250	4.8
175.14833	2.5
177.09192	2.2
177.12776	2.5
179.08453	2.2
181.10091	5.3
183.10258	3.0
183.11681	14.3
184.07295	4.1
185.09656	3.8
185.11795	2.5
185.13304	11.4
187.14824	5.9
189.12839	3.1
189.16385	4.7
193.10207	3.2
195.11728	6.3
197.13286	11.3
199.14799	5.9
201.16385	3.7
203.17966	9.5
207.11694	4.4
209.13306	4.3
211.14824	5.7
213.12929	2.2
213.16400	42.3
215.17970	5.4
221.13316	2.9
223.14793	4.2
225.16388	4.4
227.12761	3.3
229.15981	4.5
231.17476	57.6
233.19005	2.5
235.14821	2.9
237.12460	2.2
237.16595	2.4
239.17979	3.7
249.16415	2.6
251.18021	2.7
255.15819	10.1
257.18958	3.5
259.20413	2.3
269.17371	14.3
273.18600	4.0
275.20032	12.1
281.19156	2.6
287.20035	3.6
305.21136	34.8
307.22714	5.4
322.20706	2.3
349.23785	10.0
365.23508	2.7
367.24771	2.7
389.28137	3.1
393.27881	2.5
407.29559	8.0
425.30307	3.8
469.33875	2.7
481.32535	2.5
485.32544	18.0
487.35251	5.2
499.34161	33.1
505.36258	4.1
517.35358	5.1
539.37146	3.7
579.40558	31.1
597.41455	32.2
615.41742	2.6
640.44342	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.2
57.07074	4.2
59.03451	2.2
61.02913	2.2
65.03932	5.7
67.05513	99.7
69.03443	4.3
69.07068	25.5
70.64066	6.9
72.92578	2.7
79.05499	75.7
81.06596	5.6
81.07064	100.0
83.08633	16.0
85.06532	2.9
86.09678	2.7
91.05489	84.3
93.07053	86.7
95.04955	8.4
95.08619	71.0
97.06539	8.4
97.10165	8.7
105.07039	79.0
107.08606	56.9
109.06537	3.2
109.10162	28.2
111.08064	3.5
115.05483	2.8
117.07034	27.0
119.08595	61.5
121.09351	3.3
121.10155	40.2
123.08119	5.0
123.11727	6.3
129.07034	14.8
130.19768	2.6
131.08574	34.8
133.10149	48.7
135.11705	29.7
143.08580	12.8
145.10127	33.5
147.11719	54.3
149.09618	3.7
149.13277	15.3
155.08585	3.1
157.10098	10.9
159.11719	28.3
161.13275	32.5
163.11276	3.8
163.14842	6.8
169.10091	3.9
171.11691	15.2
173.13252	15.3
175.14868	12.2
183.11685	4.1
184.07401	3.9
184.73694	2.5
185.13261	14.0
187.11340	2.9
187.14879	6.1
191.14201	2.4
197.13280	4.2
199.14813	6.9
201.16377	3.5
215.11005	2.4
231.21124	7.5
239.17947	4.6
241.19547	28.5
243.21144	4.3
257.19006	10.0
259.20590	72.7
261.22171	10.9
282.28931	2.7
315.23212	5.9
331.22910	3.4
333.24271	55.8
335.25839	85.0
337.27399	3.3
351.25381	2.8
367.22772	3.1
401.27176	2.6
519.41943	5.7
550.62030	2.7
593.45453	8.9
611.46649	66.1
612.47144	3.8
701.47760	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	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
59.04990	0.8
61.02935	4.5
65.03951	0.3
67.05511	4.8
69.03432	3.2
69.07068	3.2
70.31380	1.1
71.05007	1.5
73.02921	2.9
79.05497	5.8
81.03426	5.4
81.07063	5.9
83.04996	1.1
83.08634	1.3
85.02908	4.2
85.06563	0.7
87.04443	0.6
91.03954	2.4
91.05490	5.3
93.07049	4.8
95.04972	1.8
95.08614	2.6
96.38132	0.4
97.01192	0.3
97.02892	3.9
97.06549	0.8
97.10179	0.6
98.21469	0.3
99.04472	0.9
99.08121	0.4
101.02396	1.6
103.03957	0.5
105.07035	3.5
107.04992	0.6
107.08598	2.4
109.02895	0.7
109.06549	0.6
109.10172	1.0
111.08098	0.8
113.06072	0.3
115.05524	0.4
117.07028	1.1
119.08574	2.6
121.06489	0.8
121.10157	2.3
123.04498	0.4
123.08081	0.5
125.00080	0.3
125.09605	0.5
127.03943	0.9
129.05470	0.3
129.07027	1.2
131.08594	1.7
133.09296	0.3
133.10132	1.5
135.08049	0.3
135.11745	0.7
137.09679	0.3
145.04945	0.3
145.10162	0.9
145.18129	0.3
145.94563	0.3
147.08093	0.5
147.11714	1.9
149.09647	2.1
157.10188	1.1
159.11746	0.7
163.11205	0.5
165.12804	0.5
175.11284	0.7
185.04251	0.5
193.12349	1.2
197.13235	0.3
197.15390	0.4
203.05356	0.6
211.13374	0.5
225.14940	0.4
243.08418	3.3
259.08069	0.3
267.16147	0.6
283.15207	4.1
301.09174	0.4
333.20520	2.1
339.17972	0.8
389.23007	0.5
439.19617	1.0
451.92508	0.3
453.21045	0.5
469.20596	0.7
501.23096	13.2
502.23901	0.4
517.14697	0.3
549.68677	0.4
551.28308	7.7
573.25159	0.4
593.34912	0.3
621.55725	0.3
631.37616	0.3
649.37646	0.8
677.37231	1.1
721.38794	0.3
780.60010	0.3
811.44550	100.0
812.44904	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	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75764	1.0
57.03435	8.3
57.07050	1.5
65.03950	1.9
67.05508	31.4
69.07072	12.2
71.04997	1.8
71.52902	1.3
79.05069	2.1
79.05491	27.4
81.03405	3.3
81.06589	2.1
81.07056	31.7
83.04972	2.8
83.08601	5.6
85.06536	1.8
88.80120	1.2
91.05481	26.5
93.07045	26.8
94.46402	1.2
95.01303	2.4
95.04966	4.4
95.08608	21.6
97.06525	5.8
97.10164	2.7
100.07630	1.5
105.07027	29.7
107.04953	3.7
107.08583	12.1
109.00082	1.0
109.06508	3.3
109.10149	7.3
117.07034	10.2
119.08580	18.2
121.06481	1.5
121.10143	8.4
123.08028	1.6
123.11720	2.6
129.06978	2.2
131.08568	12.3
133.10144	16.3
135.08102	1.6
135.11696	6.4
143.08546	1.6
145.10127	8.7
146.08151	2.5
147.11699	7.9
149.09688	1.7
149.13264	3.2
159.11742	5.8
161.13242	3.5
163.11185	2.0
171.11502	1.2
173.13300	1.9
179.14311	1.8
184.07338	4.4
184.60605	1.1
185.13213	2.0
187.11024	1.4
201.16414	2.0
203.13977	1.2
219.17444	54.5
226.76668	1.2
257.18997	1.9
259.85425	1.4
264.71982	1.3
267.15775	1.2
275.20038	19.8
328.39017	1.2
335.25793	55.4
349.23691	19.2
559.43292	1.7
609.45148	100.0
610.45197	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	804.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	15.4
59.04983	2.1
65.03928	3.5
67.05506	67.5
69.03426	5.7
69.07076	18.6
70.06585	2.0
71.05005	10.1
71.41404	3.3
79.05492	46.3
81.03422	79.9
81.07059	63.1
83.04978	13.6
83.08622	17.1
85.02902	4.5
85.06539	6.5
87.04475	1.8
91.05483	67.1
93.07050	42.7
95.04970	32.7
95.08616	25.4
97.02869	3.4
97.06548	10.1
97.10149	3.7
99.04436	3.3
101.06039	1.6
101.18061	1.7
105.07038	49.8
107.04953	12.9
107.08601	36.6
109.06517	13.4
109.10161	47.7
111.04443	2.8
111.08069	7.5
113.06005	3.0
115.05448	3.8
117.07013	9.7
119.04939	2.2
119.08591	21.0
121.06541	8.5
121.10139	12.3
123.04375	2.2
123.08076	4.7
123.11697	8.0
125.09624	3.8
128.06258	2.5
129.07005	11.3
131.08582	17.4
133.06483	7.7
133.10136	73.0
135.08073	8.2
135.11682	6.2
137.05888	1.8
137.09601	5.3
142.07793	3.3
143.08563	4.5
145.06432	2.2
145.10139	9.3
147.08043	7.5
147.11702	12.2
149.09637	9.9
149.13283	2.2
151.11176	31.9
155.08533	2.2
157.10136	10.3
159.08112	2.9
159.11710	3.4
161.09622	7.9
161.13300	1.9
163.11172	7.2
169.10153	2.4
169.12227	3.7
171.11719	2.8
173.09584	2.7
175.11218	10.3
177.09090	3.2
177.12776	3.3
179.10715	2.6
184.07324	2.2
191.10713	1.9
193.10652	2.6
193.12270	24.5
195.13420	1.8
207.13771	2.7
211.13290	2.3
215.12776	3.4
227.12665	4.6
245.19005	5.8
249.14767	2.8
251.12917	2.1
253.14365	97.5
263.20151	2.1
267.15927	70.6
267.54520	1.9
271.15350	2.5
273.18466	17.7
275.20096	2.3
281.16989	1.7
283.15405	5.0
287.20053	9.2
291.19608	19.2
309.20401	2.1
335.24109	2.1
347.22168	4.2
351.24771	1.6
365.23203	32.0
421.25446	2.2
437.25104	2.1
445.25854	19.7
463.26901	25.6
465.29681	5.5
475.26996	1.8
483.31186	3.6
539.33734	15.7
557.34766	100.0
558.34857	5.1
575.35669	6.8
624.44537	2.6
804.50043	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	806.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	19.6
57.07065	2.0
59.05004	1.9
61.02916	2.4
65.03951	5.9
65.04253	1.1
67.05509	67.2
67.98647	1.1
68.05855	1.2
68.46463	1.1
69.03428	10.1
69.06732	2.2
69.07075	28.9
70.96272	2.3
71.04995	8.3
73.02918	1.8
79.05498	67.8
81.03421	100.0
81.07059	71.8
83.04987	12.6
83.08620	31.3
85.02888	6.0
85.06535	5.4
91.05485	55.5
93.07048	52.7
93.07641	2.2
95.01289	1.6
95.04969	41.8
95.06810	1.0
95.08611	32.3
97.02907	5.7
97.06536	17.4
97.10174	27.6
99.08098	2.8
103.05468	2.3
104.69122	1.1
105.04517	1.8
105.07035	55.5
107.04964	15.2
107.07876	2.5
107.08601	44.0
109.02886	1.8
109.06539	11.5
109.10159	21.0
111.04450	4.3
111.08092	10.6
113.09610	2.6
115.05473	4.4
117.07025	17.9
119.04948	1.8
119.08584	40.6
121.06499	11.0
121.10144	23.9
123.04447	2.4
123.08069	5.6
123.11712	4.7
125.08778	2.0
125.09644	21.3
127.03986	2.6
128.06267	3.0
129.07019	20.2
131.08568	30.7
133.06511	6.2
133.10138	26.9
135.08072	8.2
135.11710	12.6
137.05948	1.3
137.09602	6.2
139.11246	1.3
141.07011	3.4
142.07802	4.5
143.08609	8.5
145.06505	6.3
145.10124	22.2
147.08035	8.6
147.11697	21.8
149.09628	20.8
149.13232	5.6
151.07495	1.2
151.11162	3.4
153.09149	2.4
155.08565	4.6
157.06519	2.2
157.10123	16.9
159.08064	2.8
159.11688	13.0
161.09624	5.0
161.13271	4.6
163.11186	11.6
165.12756	3.9
167.08623	1.4
169.10153	4.8
171.07935	1.4
171.10252	2.7
171.11687	5.7
173.05896	1.3
173.09625	3.5
173.11871	1.6
173.13283	4.9
175.11168	10.6
177.12794	3.0
179.08430	1.3
179.14374	2.3
181.12231	1.7
183.11688	4.0
184.07349	2.4
185.09680	2.0
185.13278	4.1
187.11198	4.7
189.09477	1.8
189.11240	10.3
189.12744	2.6
193.12254	30.7
195.11781	1.6
195.13777	3.1
197.13257	3.1
199.11246	1.3
199.13290	1.8
201.12807	1.8
203.14299	2.6
205.12234	2.2
207.13748	1.6
209.13303	3.0
211.13226	3.0
211.14948	2.1
215.14374	1.3
217.15810	2.3
225.12881	1.5
225.14870	2.1
227.12779	22.6
227.14929	1.6
229.14288	6.6
231.13713	1.3
232.53709	1.3
233.15382	2.2
235.13310	1.4
235.16847	1.6
239.14343	1.3
239.17982	3.3
243.46059	1.1
243.79021	1.2
245.13811	2.6
249.14865	3.1
251.16557	1.7
255.15941	10.4
257.18973	5.1
267.15936	81.9
269.17502	18.2
273.15070	2.3
273.18579	2.7
275.20068	27.6
276.87683	1.1
291.19601	4.3
293.21341	1.7
297.21976	1.7
299.20050	4.1
301.14334	1.8
309.17029	1.6
312.95203	1.4
315.23239	1.5
317.21204	2.3
331.22678	2.7
347.22083	1.4
349.23801	27.1
351.22937	1.6
355.22617	2.1
363.21924	1.3
367.24652	3.7
369.24127	3.3
373.23859	2.3
403.24454	1.7
419.24265	2.4
421.25867	5.1
429.26825	1.5
431.29568	1.3
435.27448	2.3
437.25275	4.1
443.27911	7.2
445.29654	1.8
447.27432	29.6
449.30383	4.5
459.27304	4.0
461.29022	61.3
467.31415	5.1
473.28885	1.3
475.30783	1.6
477.28406	4.0
479.29504	1.6
485.32712	2.0
493.31815	10.4
501.32077	3.2
511.32370	1.9
523.33832	4.5
541.35303	90.1
542.35144	2.3
559.36249	35.2
560.37091	1.5
569.31091	2.3
573.38068	2.7
583.36084	1.7
587.32043	2.3
591.38513	4.0
605.33069	1.4
644.41577	1.6
659.63824	1.3
667.38214	1.9
750.05597	1.4
834.57593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.9
57.07063	0.6
59.04995	0.6
61.02907	0.8
65.03924	1.1
67.05511	25.8
69.03431	7.5
69.07072	20.2
71.04962	1.9
71.38034	0.7
73.02897	0.6
74.76875	0.4
79.05499	23.1
81.03424	54.9
81.07062	22.2
83.04993	5.1
83.08625	15.6
85.02882	1.5
85.06506	1.4
86.09692	0.6
91.05489	21.6
93.07048	18.6
95.04977	19.6
95.08063	0.6
95.08613	9.0
97.02895	9.0
97.06525	3.6
97.10176	10.8
98.06026	0.8
99.04428	0.6
103.05449	0.8
105.03358	0.9
105.04512	0.5
105.07037	18.6
107.04303	0.8
107.04962	9.5
107.08601	11.8
109.02882	0.7
109.06512	3.2
109.10167	9.0
111.04431	2.1
111.08079	4.6
115.05404	1.9
117.07021	6.8
119.04910	1.3
119.08596	14.4
121.06525	4.7
121.09373	0.5
121.10166	8.2
123.04362	1.1
123.08070	3.3
123.11662	1.4
125.09642	8.8
128.06216	0.9
129.07024	8.5
131.08585	10.6
133.06525	4.0
133.10146	8.2
134.07262	1.1
135.08072	3.8
135.11623	2.6
137.09633	2.4
141.07002	0.8
142.07790	2.1
143.08591	3.3
144.09471	0.5
145.06445	1.3
145.10133	5.7
147.08054	5.0
147.11693	7.1
149.09645	5.0
149.13226	1.4
151.11127	1.4
153.09119	1.1
155.08521	1.1
157.10143	8.2
159.08044	0.6
159.11678	2.6
161.09644	3.1
161.13237	0.7
162.10355	0.7
163.11247	2.5
165.09094	1.6
165.12743	1.8
169.10130	0.9
169.12199	1.0
171.10286	0.8
171.11647	1.2
173.09604	1.0
173.13225	0.5
175.11191	6.8
177.12697	1.1
183.11717	0.6
184.07379	0.9
185.13219	0.7
187.11075	0.7
189.11220	4.0
189.12648	0.6
193.12251	12.7
195.13773	1.2
205.12260	2.3
207.13879	0.8
211.13283	1.9
219.13831	4.3
223.13289	15.3
227.12788	7.0
229.14369	0.8
231.13992	0.7
233.15369	0.7
245.18996	0.8
249.14885	4.1
253.14395	3.2
263.16519	0.6
267.15933	67.3
268.16312	0.7
273.15359	0.9
273.18488	8.1
283.15500	1.0
285.16840	0.7
291.19565	67.0
292.19864	0.9
301.14203	0.8
308.22998	0.6
309.20673	1.2
313.21594	2.4
341.54675	0.5
347.22177	1.9
365.23260	45.8
366.23477	1.0
367.22763	0.7
385.23764	1.0
389.23276	0.7
419.24329	0.8
445.25848	5.7
449.80411	0.5
459.27347	6.8
463.26965	1.8
465.29794	1.1
475.26636	0.8
477.28439	4.3
483.31030	1.8
529.35144	0.7
539.33698	7.2
557.34784	100.0
558.35046	3.4
575.35480	2.9
589.37476	1.1
599.36224	0.9
607.38269	0.8
624.44568	0.8
683.38525	0.8
786.49750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.6
57.07070	2.9
61.02928	2.9
65.03928	2.6
67.05507	47.4
69.03432	3.4
69.07071	10.8
69.82780	7.7
71.04983	4.3
71.08614	2.3
78.45679	1.4
79.05081	2.7
79.05499	32.6
81.03424	60.5
81.06595	2.9
81.07060	45.5
83.04964	3.3
83.08626	18.0
85.02896	3.8
86.09714	3.1
91.05484	24.8
91.83775	1.7
93.07049	33.3
95.04985	22.1
95.08611	34.2
97.02882	4.0
97.06538	2.8
97.10152	4.0
105.07047	19.7
107.04958	6.2
107.08602	20.4
109.06496	2.1
109.10161	18.5
111.04460	2.8
111.08054	4.7
117.07018	6.8
119.08587	21.3
121.06512	2.9
121.10152	20.6
123.04391	2.7
123.08070	2.0
123.11728	6.9
124.99986	1.5
125.09628	3.8
129.07014	5.0
131.08571	13.7
133.06441	2.5
133.10170	10.8
135.08112	1.8
135.11713	12.1
137.09616	1.6
145.06409	1.3
145.10123	8.7
146.24115	1.5
147.08044	2.3
147.11708	10.5
147.55446	1.5
149.09602	5.3
149.13257	5.1
156.98250	1.4
157.10127	8.6
159.11716	5.6
161.13260	3.0
163.14748	4.1
171.11688	1.8
173.13264	4.8
175.11203	6.8
175.14844	2.5
184.07372	3.8
184.32088	1.4
185.13249	1.4
187.14861	2.3
189.11273	2.6
189.25562	1.5
190.43044	1.5
193.12245	19.8
194.12575	1.4
211.13235	2.6
225.14954	1.8
227.12785	5.1
243.21133	6.4
245.13698	1.8
249.14833	2.6
261.22137	21.1
267.15927	100.0
301.16901	2.4
301.25241	2.9
313.27277	1.6
317.24835	2.6
335.25809	96.4
336.26129	1.8
355.15326	2.0
421.25684	3.5
435.27094	2.3
435.32657	4.2
453.33582	8.4
471.34409	3.5
527.37347	65.6
545.38373	48.9
559.39697	2.1
569.37616	3.3
675.25885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	24.1
57.07077	5.1
59.71574	2.7
60.87531	2.7
61.02927	4.5
64.57010	2.7
65.03943	8.3
67.05508	76.2
69.03442	6.4
69.07081	24.0
69.89584	3.5
71.05005	4.9
71.53295	4.0
73.02937	3.8
74.09726	4.4
79.05067	5.5
79.05503	64.1
81.03415	13.2
81.07065	79.9
83.04972	8.6
83.08636	11.7
85.02924	6.7
85.06549	14.0
91.03931	3.6
91.05493	63.2
93.07056	53.9
94.27084	2.9
95.04974	52.4
95.08616	43.0
96.61468	2.9
97.02892	8.4
97.06538	9.9
97.10188	5.2
99.08104	3.1
105.07039	58.9
107.04967	18.5
107.08596	31.5
109.06521	75.3
109.10163	15.4
111.08083	4.5
112.60430	2.8
113.06045	27.6
115.80775	2.9
116.06233	3.2
117.07011	25.8
119.08598	40.1
121.06538	10.2
121.10155	20.6
123.08054	8.2
125.09669	5.2
128.06262	6.5
129.07014	19.6
131.08583	39.6
133.06436	5.5
133.10147	29.1
135.08069	43.4
135.11702	16.5
141.07019	4.5
143.08592	15.8
145.06496	8.1
145.10143	24.8
147.08061	5.6
147.11678	20.6
149.09633	10.9
149.13251	8.0
155.08575	7.0
157.10172	14.7
159.08075	5.5
159.11694	19.3
161.09612	8.6
161.13261	10.9
163.11197	9.8
169.10071	9.6
171.11700	13.2
173.13295	10.5
175.11208	5.9
175.14853	6.1
177.12810	7.9
181.10161	5.2
183.11774	9.2
185.13255	9.5
187.11324	5.5
187.14830	3.4
195.13849	4.0
197.13199	6.5
199.14873	8.9
217.15929	11.2
241.19563	10.6
246.84286	2.9
254.60393	2.9
257.19067	6.2
259.20767	14.4
273.18585	23.6
275.20090	6.3
279.15891	16.5
291.19556	66.6
315.23172	7.9
327.26672	4.9
333.24289	30.2
347.22202	5.0
349.23810	4.1
352.62497	3.4
365.23209	18.6
392.14490	3.4
468.56757	3.6
513.36316	4.2
543.37061	4.0
549.38623	4.1
565.38824	5.6
605.42426	15.1
623.43066	100.0
641.44196	31.0
803.46484	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	800.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	4.1
57.03425	7.3
57.49940	2.2
60.43479	2.0
61.02940	11.4
65.03932	2.8
67.05514	41.1
69.03431	19.6
69.07078	10.5
70.06590	7.8
71.04999	5.8
73.02920	6.5
74.09703	2.2
79.05082	2.8
79.05505	38.3
81.03431	23.8
81.07067	38.1
83.04980	7.8
83.08623	8.5
84.04505	10.2
84.08163	2.5
85.02913	10.6
85.06535	3.3
86.06078	50.8
87.04474	28.0
91.03954	5.8
91.05495	21.3
93.07056	38.9
95.04971	10.8
95.08612	29.3
97.02911	11.2
97.06549	6.5
97.10181	2.4
98.06062	35.3
99.08100	3.4
103.05499	2.7
104.06445	2.8
104.07114	31.6
105.04489	2.3
105.07039	13.6
107.04970	3.3
107.08625	15.5
109.06528	4.9
109.10161	9.8
111.08102	3.8
112.07625	17.8
117.06997	6.6
119.08580	11.9
120.08175	2.6
121.10149	20.7
123.08102	3.3
123.11735	3.3
124.07611	5.1
125.09554	2.9
126.05511	6.0
126.09173	2.9
129.06990	5.2
131.08600	11.8
133.10109	10.9
135.08124	2.0
135.11707	6.0
136.07614	2.4
137.13269	2.0
138.01587	2.3
138.12761	2.5
140.07045	3.8
145.10115	3.9
147.11670	7.2
148.07579	4.8
149.09636	30.9
149.13275	3.1
154.08636	3.5
157.10104	4.7
158.08102	12.3
159.11618	4.6
163.11182	3.1
165.12654	2.8
168.33517	2.2
175.11177	3.8
177.12755	3.1
184.13403	2.7
193.12320	8.8
206.15417	3.4
210.14919	7.5
215.18018	4.5
224.16452	5.1
232.16914	2.0
233.18935	5.6
234.12825	2.2
234.14995	3.3
250.18175	5.0
252.15970	14.3
260.16547	3.5
267.15894	23.8
278.17514	13.4
278.77063	2.1
296.18616	5.6
307.19476	3.3
307.22708	37.3
314.19220	3.5
342.22681	2.7
344.20532	4.6
362.21793	4.0
370.02908	2.6
370.22226	5.3
388.23318	8.0
499.34131	9.1
504.70755	2.4
517.35126	7.1
576.38824	4.7
594.40125	29.4
602.39844	2.4
620.41614	100.0
621.41644	5.2
738.43506	3.2
756.44348	8.0
782.46960	88.9
783.47632	4.8
800.40680	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	798.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.8
58.06591	0.4
60.08165	5.7
61.41388	0.2
67.05486	0.6
69.07059	0.4
71.07378	2.8
77.22855	0.2
79.05476	0.5
81.07047	0.9
81.30300	0.2
86.09710	30.6
91.05477	0.5
93.07038	0.6
95.08614	0.5
97.10197	0.3
98.98471	3.1
104.10744	2.2
105.07025	0.4
107.08535	0.3
109.10139	0.3
112.15833	0.2
119.08572	0.5
121.10091	0.2
125.00010	20.5
136.06175	0.4
146.08195	0.4
147.28410	0.3
147.29636	0.2
160.97620	0.2
184.07347	100.0
185.07748	0.4
229.13223	0.3
237.27182	0.2
469.10281	0.3
780.55280	7.1
781.55615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.3
68.05023	0.5
69.03434	0.4
69.07085	0.3
70.06596	100.0
71.01368	0.3
71.06947	0.5
71.52310	0.2
71.52766	0.3
79.05510	0.6
79.71821	0.2
81.03421	0.9
81.07067	0.7
83.05014	0.3
84.08149	7.6
85.02905	0.3
86.09718	0.6
91.05488	1.9
93.07057	0.8
94.06595	0.7
95.04977	0.6
95.08601	0.2
96.08160	0.5
97.02926	0.4
97.06541	0.7
98.02405	0.3
103.05468	1.5
105.07030	0.7
107.04971	0.2
107.08600	0.3
109.10183	0.3
112.07610	0.3
115.08675	1.5
119.04925	0.3
119.08593	0.3
120.08111	22.6
121.06536	0.2
121.08453	0.3
121.10171	0.3
122.09705	0.7
123.04442	0.2
125.07140	0.2
129.07018	0.4
130.06522	0.5
130.08679	1.0
131.04953	0.3
136.06219	0.5
136.07581	0.6
136.11185	1.4
143.08658	0.3
144.08127	0.6
145.06567	0.2
148.07597	0.3
152.08160	0.2
157.06538	0.7
165.05511	0.6
172.07608	0.9
172.11212	0.3
173.05931	0.2
181.04950	0.2
181.13377	0.8
182.06046	0.4
182.08202	0.3
184.11263	0.4
185.09613	0.4
186.12804	3.8
188.87135	0.2
189.09138	0.7
190.08652	1.7
193.12257	0.3
199.07634	0.2
200.07037	1.3
201.05534	0.6
202.12321	0.9
209.13028	0.3
213.05513	0.3
217.13335	0.3
218.08145	3.0
219.14973	1.2
231.10246	0.7
236.09177	3.5
248.12859	2.2
264.08752	0.9
265.15454	5.1
267.16071	0.4
272.16571	0.6
275.14041	0.4
293.15128	0.4
316.20218	0.2
317.18533	1.2
321.14417	0.9
321.19492	0.5
333.14529	0.4
350.17459	0.2
361.13940	6.5
362.20758	3.5
367.20175	2.7
390.20142	1.7
395.19684	11.2
396.19702	0.2
412.22498	0.4
422.20969	0.5
440.21912	1.8
464.25427	1.4
468.21313	8.2
492.25098	1.7
509.27594	5.8
510.28342	0.3
512.47595	0.2
519.25989	0.3
537.27112	37.3
538.27374	1.2
601.37909	0.2
607.27612	0.4
625.28735	1.6
635.26917	0.3
653.28271	3.3
654.28827	0.3
684.33630	0.6
772.35205	0.6
782.33789	0.3
800.34674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
57.07079	0.3
61.02933	6.3
67.05511	7.2
69.03439	4.1
69.07080	1.1
69.81022	0.9
71.01369	0.4
71.05008	0.8
73.02923	5.6
79.05502	4.5
81.03420	1.9
81.07059	7.0
83.04988	0.4
83.08641	0.6
85.02913	7.1
87.04506	0.4
91.03961	4.2
91.05481	2.5
93.07050	5.7
95.04966	0.6
95.08611	5.2
97.02901	6.7
98.20866	0.6
99.04454	1.5
101.02399	2.5
105.07040	1.6
107.08608	2.8
107.24223	0.3
108.85167	0.3
109.02892	1.2
109.06532	0.3
109.10178	2.2
115.03893	0.6
117.07043	0.5
119.08613	1.2
121.10152	2.3
122.14085	0.3
123.11761	0.6
127.03930	1.8
131.08598	1.2
133.10158	1.3
135.11702	1.3
143.86084	0.4
145.10150	0.8
147.11693	0.3
149.13289	0.8
159.11737	0.6
161.13309	0.6
173.13206	0.3
184.07320	0.6
185.04256	1.1
203.05310	0.7
243.08453	2.2
335.25928	1.1
374.42142	0.3
390.01956	0.3
390.39493	0.3
427.29327	0.3
519.29315	12.4
520.29651	0.4
625.44415	0.6
762.19049	0.3
797.51776	100.0
798.52106	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	796.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	1.0
57.03443	13.7
57.07066	2.6
61.02916	3.0
65.03934	4.4
67.05509	79.5
69.03439	7.5
69.06692	1.1
69.07072	22.8
69.21645	10.8
71.04996	6.5
73.02937	1.6
74.43576	1.0
79.05498	79.3
81.03416	8.0
81.07060	73.5
83.04993	10.1
83.08627	12.3
85.02934	5.6
85.06522	3.9
91.03877	1.1
91.05483	50.8
93.07050	87.0
95.04991	10.5
95.08608	46.0
97.02882	4.2
97.06537	9.8
97.10155	4.0
99.04460	1.8
99.08100	5.0
103.79662	1.1
104.84065	1.2
105.04506	3.8
105.07038	33.6
107.04948	4.7
107.08601	34.2
109.02885	1.4
109.06492	7.0
109.10160	21.5
111.08067	3.1
115.05426	1.9
117.07019	17.5
119.08583	27.4
121.06489	3.4
121.07325	1.2
121.10151	35.8
123.08048	5.0
123.11700	7.4
125.09644	3.5
127.03934	2.3
128.06261	1.3
129.05527	2.7
129.07027	6.8
130.07759	2.2
131.08574	22.7
133.06453	1.2
133.10132	22.2
135.08084	6.1
135.11716	18.3
137.09578	3.9
137.13231	1.6
139.11139	1.4
143.08588	6.0
145.10133	17.2
147.08051	1.9
147.11690	13.7
149.09621	8.8
149.13275	11.6
151.11153	2.7
155.08559	3.2
157.10135	6.5
159.11697	15.1
161.09613	2.4
161.13310	5.6
163.11211	4.4
163.14894	2.0
165.12799	1.9
169.10112	2.7
171.11673	5.8
173.04510	2.0
173.11848	1.5
173.13271	8.6
175.11143	2.8
175.14818	1.9
177.12740	3.7
179.14261	1.4
183.11711	2.4
184.07355	1.4
185.13280	3.8
187.11240	1.5
187.14790	3.7
189.12672	2.3
195.13800	2.2
199.14890	1.9
201.16403	2.1
203.14423	1.5
207.13710	1.3
211.14841	1.5
213.16431	2.6
215.17972	12.0
217.15768	1.9
219.17400	1.9
227.12738	2.8
229.14105	6.2
229.19545	1.8
231.17419	2.4
233.19038	11.7
235.16774	1.2
239.17873	2.9
247.16978	2.6
247.20650	1.3
255.15817	7.0
257.18985	6.3
267.15872	1.7
269.17468	15.9
275.20139	16.2
281.17355	2.5
291.19705	2.2
292.37796	1.2
293.21082	2.4
307.22681	100.0
308.22958	1.6
309.20575	4.9
321.20572	4.7
331.22687	2.0
335.25815	5.9
341.21170	1.1
349.23734	15.8
367.24863	4.0
413.21539	1.4
461.32925	7.9
469.33353	1.2
487.34204	12.9
501.35803	46.1
502.35971	1.8
541.39063	16.8
563.40662	1.2
581.42010	29.1
583.89484	1.2
599.42926	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	796.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85978	1.6
57.03439	7.7
57.07067	3.8
61.02922	2.3
62.26601	1.6
65.03940	3.0
67.05509	67.5
69.03422	6.1
69.07075	17.1
71.04963	2.4
71.08641	2.4
71.52315	2.5
79.05501	78.2
81.03423	7.0
81.07061	57.3
83.05004	5.6
83.08618	18.3
85.02911	4.1
85.06546	4.8
86.09702	5.0
91.05492	44.1
93.07048	57.1
95.04981	6.9
95.08615	31.0
97.02886	4.6
97.06556	5.4
97.10172	26.5
99.08084	4.1
105.04545	2.4
105.07037	40.2
107.04969	4.0
107.08599	59.1
108.08987	1.9
109.06538	5.0
109.10155	20.8
111.08076	5.0
117.07021	15.6
119.07823	2.2
119.08592	25.5
121.06493	3.0
121.10154	30.2
123.08066	2.6
123.11712	5.6
125.09642	30.8
127.03886	2.6
129.07033	4.5
131.08589	18.3
133.06435	2.3
133.10143	23.2
135.08054	4.0
135.11710	19.0
137.09598	2.0
142.80411	1.7
143.08563	6.2
145.10127	23.4
147.11710	16.6
149.09624	7.0
149.13266	8.7
151.11195	2.6
155.08534	2.2
157.10143	7.7
159.11703	16.3
161.13252	6.0
163.11143	4.1
169.10115	4.4
171.10213	2.7
171.11710	6.7
172.12584	1.9
173.11940	2.4
173.13260	10.3
175.11235	4.4
175.14857	4.0
177.12724	2.2
180.43735	1.8
183.11626	2.7
184.07375	11.9
185.13260	2.4
187.14803	3.3
189.11234	16.8
191.85765	1.6
197.13258	2.5
203.18010	2.0
211.14856	2.3
213.16434	3.3
215.17960	12.0
227.12781	39.1
229.15906	2.8
231.17476	5.6
233.18970	13.5
239.17970	3.9
245.13905	2.7
257.19043	8.7
258.08755	1.7
275.20071	33.8
305.21375	4.3
307.22687	100.0
308.22940	2.1
321.20538	4.5
331.22681	3.2
335.25940	3.2
349.23743	51.0
389.17957	4.4
459.31076	2.5
477.32138	17.2
549.89648	2.0
563.40826	2.6
581.42078	96.7
582.42535	4.4
599.43109	14.9
621.35992	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	794.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.5
57.07077	7.4
61.02935	4.2
65.03948	4.7
67.05511	89.3
69.03435	3.4
69.06738	2.8
69.07079	37.2
69.83017	3.2
69.83424	8.0
79.05071	3.3
79.05496	39.3
81.07061	93.5
83.04966	3.9
83.08624	18.8
85.02918	5.4
85.06540	2.7
87.04461	4.8
91.05483	24.5
91.16582	2.4
93.07051	46.6
95.04960	5.4
95.08617	78.0
95.11457	2.0
97.02879	2.3
97.06550	3.1
97.10165	9.4
98.20776	4.0
105.07030	23.1
107.08595	27.3
109.10166	30.2
117.07034	5.6
119.08577	17.6
121.10156	16.9
123.11714	11.8
129.07060	2.5
131.08563	10.3
133.10150	17.0
135.11731	14.9
137.13210	4.2
145.10173	9.8
147.11699	12.9
149.13301	11.7
151.14845	2.3
159.11708	8.0
161.13289	8.9
163.14793	4.2
173.13326	5.0
175.14873	4.0
181.10139	2.3
184.42044	2.1
187.14827	7.0
201.16389	2.4
219.17346	2.4
243.21136	6.2
245.22855	2.4
261.22153	23.1
263.23688	3.4
317.24625	4.3
333.24115	3.6
335.25839	82.1
336.26248	2.7
337.27371	100.0
339.28961	8.8
523.45404	3.3
541.46240	2.9
578.02356	2.4
597.48914	33.6
615.49744	27.2
653.80621	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	795.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39764	0.1
59.39279	0.1
67.05506	0.6
68.05025	0.6
69.05355	0.1
70.06596	100.0
70.91721	0.3
71.06928	0.4
75.99551	0.1
81.03418	0.2
84.04507	1.6
84.08144	8.5
86.09698	0.2
91.05482	1.2
93.07075	0.3
94.06580	0.7
95.37927	0.1
96.08143	0.5
97.02934	0.1
98.06076	0.2
100.07613	0.3
100.15880	0.1
103.05454	1.4
105.07050	0.6
112.07578	0.3
114.05553	0.3
115.08701	1.4
118.06562	0.2
119.08541	0.1
120.08109	21.7
121.06516	0.2
121.08450	0.2
122.09698	0.7
130.06540	1.3
130.08638	1.0
131.04955	0.2
132.08113	0.3
133.10167	0.2
136.07593	0.7
136.11208	1.5
144.08083	0.3
146.06071	0.2
148.07600	0.2
160.07591	0.2
161.09544	0.2
163.12392	0.1
164.74396	0.1
165.05467	0.6
166.29482	0.1
169.10086	0.2
172.11246	0.4
174.09178	0.4
175.08719	0.2
175.11183	0.2
176.07031	0.3
181.13367	0.9
182.08156	0.3
184.11273	0.6
185.09660	0.6
186.09152	1.1
186.12772	4.4
186.14404	0.2
189.09097	0.8
202.12294	1.3
209.12883	0.3
213.09122	0.2
217.22426	0.2
219.14905	1.1
227.11861	0.3
231.11458	3.1
247.14403	0.2
248.12823	2.4
259.10803	0.4
265.15482	4.9
272.13696	0.2
272.16394	0.7
273.12375	2.6
275.14017	0.3
293.14999	0.5
299.17560	0.4
316.20203	0.4
317.18597	1.6
321.14340	0.5
321.19662	0.5
322.18027	0.2
323.21115	0.3
324.74014	0.1
328.16586	0.2
344.19781	0.2
349.19138	0.2
356.15973	2.8
362.20740	5.1
363.21344	0.2
367.20145	3.1
372.19272	0.2
373.18726	0.2
390.20230	1.3
395.19681	10.8
396.19769	0.2
412.22293	0.5
422.20697	0.4
423.19089	0.3
440.21844	1.6
450.20563	0.2
464.25546	0.8
468.21323	6.1
469.21277	0.2
491.26596	0.3
492.24988	1.1
509.27606	5.2
510.27823	0.2
519.26129	0.7
537.27112	37.0
538.27576	1.2
557.27362	0.2
585.26923	0.4
620.30811	2.1
648.19647	0.3
648.30249	4.8
749.36072	0.3
750.34491	0.4
767.37769	1.8
795.37054	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	794.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.3
57.07060	4.8
60.08151	2.2
61.02935	2.4
65.03935	4.0
66.70130	1.7
67.05508	78.8
69.03413	5.1
69.07065	21.7
69.18520	13.2
69.18927	3.7
71.04983	7.6
77.03918	2.1
79.05494	67.8
81.03413	5.6
81.07059	88.4
83.04978	10.9
83.08652	9.4
84.08139	5.0
85.02879	2.6
85.06531	5.5
86.09695	7.1
87.04461	6.7
90.24680	1.6
91.05484	71.4
93.07047	79.4
95.04967	11.9
95.08607	36.6
97.02885	3.3
97.06530	7.3
97.10199	2.1
99.04453	2.5
103.05424	2.0
105.04507	3.4
105.07035	51.3
107.04954	6.6
107.08601	44.1
109.06510	9.1
109.10160	57.4
111.08069	5.2
112.87893	1.9
115.05410	3.1
117.07037	11.0
119.08583	24.5
121.06511	6.1
121.09485	1.9
121.10168	25.1
123.08070	7.0
123.11694	10.1
124.99996	7.2
128.06229	2.1
129.07024	4.8
129.91481	2.1
130.08646	6.9
131.08592	21.9
133.06525	4.1
133.10135	71.5
135.08057	6.7
135.11693	17.5
137.09608	3.6
139.11194	2.1
142.07840	1.9
143.08572	5.6
145.10120	16.1
147.08031	3.2
147.11702	10.5
149.09657	4.9
149.13243	5.9
151.07489	3.1
151.11177	33.7
157.10126	5.1
159.07991	2.5
159.11740	9.8
161.09647	5.1
161.13252	5.0
163.11182	2.5
169.12213	6.3
171.11708	5.6
173.13271	5.7
175.11198	4.2
177.09061	2.9
179.10641	3.0
179.14285	1.8
184.07359	30.6
185.13252	3.0
209.13348	2.6
213.16417	3.4
215.12854	2.1
215.18011	13.7
225.11211	2.2
231.17513	2.4
233.18997	14.9
245.18997	4.9
251.12784	2.9
253.14369	94.4
254.14655	1.9
259.20578	3.6
263.20078	2.8
271.15329	2.8
273.18518	21.2
291.19525	22.5
307.22681	100.0
333.24335	3.2
335.25766	4.7
337.19958	5.0
347.22101	6.8
365.23218	32.7
383.23615	2.0
485.32507	5.5
503.33633	32.7
579.40417	8.0
583.43286	5.0
597.41486	84.8
598.41595	2.9
632.18030	2.3
805.53204	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	794.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.7
57.07077	5.0
64.84266	2.0
65.03925	6.1
67.05508	82.3
69.03430	6.2
69.07072	22.6
69.19774	11.9
69.20177	7.7
71.04977	3.6
77.03941	3.0
79.05498	78.5
81.03407	7.5
81.07059	84.4
83.04991	18.6
83.08620	10.0
85.02916	3.8
85.06553	3.1
86.09684	2.2
87.04477	7.5
91.05487	64.7
93.07052	79.4
95.04961	13.5
95.08616	50.0
97.02854	3.5
97.06532	4.5
97.10180	4.0
99.08080	4.5
101.06057	2.2
103.05453	3.0
105.04503	3.6
105.06397	4.0
105.07037	50.2
107.04948	7.8
107.08600	38.3
109.06506	8.0
109.10167	46.9
111.08075	5.3
116.26514	2.5
117.07038	14.6
117.07760	2.5
119.08598	22.0
121.06514	7.4
121.10147	33.4
123.08105	3.9
123.11721	11.7
124.99973	2.1
125.09631	3.3
127.07538	2.9
129.07034	4.8
131.08549	20.0
133.06519	6.4
133.10136	56.1
134.10616	2.2
135.08054	9.0
135.11697	20.0
137.09616	4.4
143.08539	6.0
145.06537	2.0
145.10124	14.0
146.72830	1.9
147.08057	6.2
147.11685	9.0
149.09651	12.2
149.13272	7.1
151.11230	19.9
157.10126	6.9
159.08011	2.2
159.11710	7.0
161.09671	8.4
161.13231	4.0
163.11230	3.2
164.30237	2.5
169.12213	2.9
171.11699	4.1
173.13306	7.8
175.11174	3.8
176.54497	2.2
177.09180	2.6
184.07320	5.5
185.13318	2.2
189.12695	2.5
199.14888	3.3
215.12802	2.1
215.17973	9.5
233.19023	14.2
245.15401	3.5
245.19090	5.3
249.18672	2.7
253.14359	46.5
255.17676	2.8
259.60873	2.5
263.20148	4.5
271.15601	4.7
273.18515	24.0
291.19562	29.9
307.22690	84.5
308.22931	3.4
309.20670	3.3
335.25668	3.5
337.20065	5.2
347.22171	8.6
365.23282	41.1
390.37082	2.4
393.43039	2.3
485.32843	4.6
501.32050	2.7
503.33578	23.5
579.40466	7.9
597.41541	100.0
598.41559	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	794.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.4
57.07062	2.4
61.02921	0.9
65.03928	2.9
67.05508	55.2
68.03164	0.8
69.03431	8.8
69.07074	27.4
69.18922	1.7
69.19323	6.1
71.05000	1.8
73.02908	1.0
79.05496	48.3
81.03425	4.6
81.07059	45.8
83.04983	4.9
83.08614	9.2
85.02898	1.5
85.06538	2.6
87.04463	2.5
91.05487	27.0
93.07049	45.4
95.04982	8.0
95.08611	24.8
97.02896	9.7
97.06525	4.8
97.10175	11.8
98.21603	1.6
99.08106	1.9
105.03390	0.9
105.04509	1.0
105.07036	20.2
107.04966	7.7
107.08601	19.7
109.06519	4.5
109.10162	13.3
111.04451	1.0
111.08076	2.5
115.05482	0.8
116.06224	0.8
116.13989	0.9
117.07023	8.0
119.04955	1.1
119.08584	15.5
121.06498	2.5
121.10148	23.5
123.04444	1.4
123.08035	3.6
123.11698	4.1
125.09646	8.0
128.48233	0.8
129.07001	2.8
131.08566	14.2
133.06497	2.3
133.10139	10.0
135.08086	3.9
135.11703	12.3
137.09605	2.2
143.08615	4.0
145.10138	10.2
147.08076	6.5
147.11687	7.0
149.09636	2.7
149.13264	6.9
150.26520	0.8
151.11234	0.9
153.09097	1.0
157.10139	2.7
159.11703	6.1
161.09624	2.7
161.13260	1.3
163.11180	3.0
165.09200	1.2
171.10286	1.1
171.11649	2.0
173.13255	2.9
175.11189	2.2
177.12726	1.3
184.07399	1.8
184.97661	1.0
189.11250	4.0
195.13765	1.0
205.12259	1.8
205.19527	1.0
213.16502	1.0
215.17947	10.7
223.13289	17.2
227.12775	3.8
233.19016	8.6
245.18813	1.0
249.14825	2.8
255.17552	0.9
267.15814	1.4
273.18460	10.5
289.18341	0.9
289.21564	1.4
291.19553	94.0
307.22690	95.7
308.23019	1.8
335.25586	1.1
347.22180	1.2
365.23257	53.7
505.37564	1.1
517.35144	4.7
579.40143	3.1
597.41541	100.0
598.41492	2.8
818.17023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.4
59.04989	1.0
59.97107	0.8
61.02920	2.1
63.06002	0.8
63.92595	0.8
65.03938	2.0
67.05510	29.9
69.03436	6.7
69.07075	25.4
70.06577	2.1
70.10449	2.7
70.10869	2.0
70.51029	1.1
70.79941	0.9
71.01345	1.8
71.04996	9.5
71.74841	0.9
73.02930	1.9
79.05499	43.8
81.03423	100.0
81.07063	46.4
81.07484	1.0
83.04989	10.4
83.08626	15.5
85.02914	4.5
85.06548	2.3
91.05486	42.0
93.06483	1.8
93.07053	31.6
95.04987	18.0
95.08611	18.6
97.02892	5.2
97.06538	17.1
97.10175	12.3
99.04478	1.3
99.08105	2.6
103.05460	1.5
105.04519	1.2
105.07040	22.0
107.04966	11.0
107.08604	19.0
109.02885	1.9
109.06525	12.7
109.10156	9.3
111.04436	7.5
111.08083	6.1
113.06036	0.9
115.05462	2.4
115.07581	5.5
117.07024	12.4
119.04961	2.2
119.08589	31.7
121.06510	10.5
121.10156	12.3
123.04412	2.3
123.08074	19.1
123.11726	1.7
125.05990	5.3
125.09644	12.5
127.03906	1.6
128.06255	2.5
129.07019	11.9
131.04950	1.1
131.08580	14.0
133.06503	4.4
133.10156	8.6
135.08064	8.8
135.11684	4.0
136.06197	8.9
137.09625	17.1
139.07564	1.2
139.11174	1.6
141.06987	1.2
142.07796	2.6
143.07014	3.0
143.08601	7.6
145.04997	1.5
145.06454	3.3
145.10129	12.0
146.07242	1.1
147.08051	13.2
147.11682	4.4
149.09644	11.5
149.13264	1.3
151.07574	1.6
151.11201	1.0
153.09135	7.7
153.12793	3.0
153.84401	1.1
155.08595	3.0
157.06561	1.7
157.10147	9.2
158.33870	1.0
159.08067	4.7
159.11711	4.1
161.09631	7.3
161.13242	1.2
163.07603	2.0
163.11194	8.4
165.09134	15.2
165.12799	1.3
167.08534	1.0
169.10135	2.3
171.08006	1.7
171.11716	6.1
173.09630	4.2
173.13284	1.9
175.07591	1.0
175.11179	4.9
175.14838	1.1
177.09131	2.9
181.08653	1.2
181.10132	2.1
181.12206	4.3
183.11740	2.3
184.07312	3.0
185.09645	1.9
185.13297	2.1
187.11249	3.2
189.09410	1.0
189.11226	6.4
189.12788	2.9
191.10686	4.9
193.12251	9.1
195.11714	1.3
197.13258	1.0
199.09563	2.2
199.11220	2.2
199.14793	2.5
201.16393	1.2
203.10637	1.1
205.12270	1.8
209.09807	1.0
209.11636	1.6
209.13437	1.0
211.13165	1.5
213.12743	1.9
217.12328	1.2
217.15941	5.0
219.13780	1.5
223.13242	2.3
227.12581	7.0
231.13838	1.2
239.12798	52.7
241.14438	5.5
243.13925	1.8
245.15385	7.6
255.17493	1.6
263.16330	5.4
267.12976	1.6
267.15900	24.5
271.16815	1.5
273.18500	10.2
281.17447	2.2
283.01102	1.0
285.18393	1.1
291.19580	20.6
309.20581	3.8
319.19113	2.9
325.17477	1.3
337.20108	5.9
341.21036	1.7
347.22137	2.7
355.21207	4.2
359.22018	1.2
365.23230	11.1
375.21655	2.5
379.22067	1.0
383.24316	7.8
391.25790	1.1
405.22717	2.2
409.22342	1.6
415.24646	1.9
419.24957	7.0
431.24332	1.7
433.25955	6.2
434.25836	1.2
437.26947	5.0
455.28064	4.7
459.27573	2.4
471.27353	1.4
483.30551	1.0
493.29529	1.5
501.32199	2.4
511.30634	18.0
529.31677	66.2
530.32141	2.4
547.32727	48.4
548.32953	1.9
561.34125	2.3
706.94159	1.1
794.43304	1.2
804.84186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05275	0.9
55.05519	15.0
57.03194	0.8
57.03446	10.2
57.07067	2.1
61.02930	3.0
65.03943	3.3
67.05511	59.5
69.03432	1.1
69.07076	16.6
70.10471	2.4
71.04990	2.4
71.08622	0.8
73.02895	1.3
74.09734	1.0
78.77560	0.6
79.05504	38.6
81.03440	0.7
81.07066	58.5
83.04969	1.8
83.08628	9.0
85.02941	3.1
85.06553	2.2
86.96120	0.6
91.03951	1.0
91.05494	24.9
93.07053	46.7
95.04974	2.5
95.08617	48.6
97.02907	1.7
97.06539	2.8
97.10180	3.6
99.08103	1.2
105.04528	1.9
105.06325	0.5
105.07040	20.2
107.08606	25.1
109.06506	1.1
109.10166	21.9
111.08095	2.1
111.11749	1.0
113.09667	0.5
117.07025	7.0
119.05973	0.5
119.08599	16.4
121.10158	22.5
123.08083	0.9
123.11722	8.9
125.09675	1.2
129.07022	1.4
131.08588	11.5
133.10147	14.1
135.11711	15.3
137.09599	1.0
137.13258	2.6
139.11192	0.8
143.08589	1.7
145.10129	9.4
147.11710	10.7
149.09604	0.5
149.13283	9.3
151.14828	1.0
153.12755	0.7
157.10121	1.7
159.11711	7.9
161.13281	6.9
163.14818	4.0
171.11723	2.4
173.13286	7.6
175.14859	4.3
177.12825	0.8
177.16447	1.0
185.13246	2.0
187.14870	4.0
189.16435	0.7
194.83415	0.6
197.13301	0.9
199.14868	1.8
201.16394	1.4
203.17946	0.9
215.18112	0.7
217.15820	0.6
217.19614	1.1
231.21133	0.9
233.22606	1.0
239.18054	0.9
241.19545	3.4
243.21103	6.0
259.20618	7.8
261.22180	18.4
263.23770	1.8
265.46933	0.5
279.23215	1.0
285.22134	0.5
291.23215	1.1
299.23715	0.9
305.24860	0.7
315.23303	1.0
317.24728	2.8
333.24310	6.3
335.25833	100.0
336.26013	1.8
337.27399	10.3
339.26849	0.6
353.27158	0.7
521.43604	2.6
595.47266	16.4
596.47900	0.8
613.48297	12.2
676.57355	0.6
689.82977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.8
58.06628	0.6
59.07366	0.2
60.08170	5.8
61.52935	0.2
62.79023	0.2
67.05504	0.5
69.20028	1.5
71.07387	3.5
71.07774	0.4
75.16454	0.2
79.05502	0.3
81.07061	0.4
83.04955	0.2
86.09713	30.7
87.10040	0.3
93.07056	0.3
95.08600	0.2
98.21131	0.9
98.98473	3.0
100.07645	0.3
104.10754	2.6
105.07001	0.3
125.00015	20.5
131.02190	0.2
146.08174	0.5
166.02669	0.2
166.42140	0.2
184.07355	100.0
185.07736	0.9
186.07762	0.3
351.08743	0.2
429.86469	0.2
496.33328	0.4
512.08820	0.2
675.98853	0.2
690.47015	2.0
772.42523	0.2
772.54974	1.6
790.41772	0.3
790.55853	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	792.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.7
55.05517	32.9
57.03446	19.9
57.07090	2.3
59.05022	1.8
61.02915	2.8
65.03938	2.8
67.05511	67.5
68.28456	1.6
69.03437	10.4
69.07075	29.7
69.98029	7.3
70.06577	1.7
71.01347	3.2
71.04993	6.3
73.02911	2.9
74.63544	1.6
79.05502	63.5
79.41176	1.4
81.03426	100.0
81.07065	71.4
82.95381	1.5
83.04994	13.4
83.08620	33.2
85.02913	5.8
85.06538	3.2
86.09698	3.9
91.05486	55.8
93.07052	63.0
95.04974	36.1
95.08614	29.1
97.02898	5.6
97.06547	14.1
97.10174	23.1
99.04463	2.1
99.08112	3.2
103.05450	1.9
105.04564	2.1
105.07042	45.2
105.94416	1.6
107.04971	17.1
107.08606	43.6
109.02866	2.9
109.06529	9.3
109.10168	17.9
111.04439	4.3
111.08094	11.9
113.09666	1.7
114.53039	1.6
115.05486	4.7
117.07036	18.1
119.04967	1.7
119.08587	37.7
121.06503	12.8
121.10146	23.7
123.08064	9.4
123.11726	5.7
125.00011	2.4
125.05975	1.9
125.09643	17.3
127.03949	2.3
128.06178	2.5
129.07016	18.2
131.08577	28.4
133.06523	8.0
133.10133	25.0
135.08058	11.4
135.11688	13.8
137.09622	4.8
139.11182	3.2
141.07013	2.7
142.07808	2.6
143.08595	6.4
145.06514	4.6
145.10143	18.2
147.08061	5.7
147.11696	22.8
149.09639	17.1
149.13258	6.5
151.11217	3.8
153.09116	4.2
155.08589	2.6
157.10123	15.4
159.08070	3.4
159.11725	11.6
161.09596	2.9
161.13301	5.2
163.11218	10.1
165.12779	3.5
167.08565	1.7
169.10132	3.8
171.08127	1.9
171.10399	1.9
171.11739	5.1
173.09650	2.4
173.13306	6.3
175.11203	14.4
177.12807	4.0
181.10147	3.1
183.11708	5.0
184.07356	9.6
185.09668	2.3
185.13310	3.4
187.11140	2.7
187.14830	1.9
189.11247	10.6
189.12718	2.4
189.16399	1.9
191.14444	1.8
193.12247	26.5
195.11807	2.5
195.13667	3.2
197.13280	4.1
199.11284	1.8
201.12746	2.7
203.14307	1.9
211.13245	3.9
213.16475	1.8
217.15942	4.9
219.13901	1.8
227.12790	18.8
229.14294	4.2
229.19505	2.4
233.15468	1.9
235.13220	1.7
239.12779	1.9
245.13834	2.3
249.14960	3.7
255.15950	9.6
257.13837	1.5
257.19040	6.4
259.16730	1.6
265.97855	1.8
267.15933	82.7
268.16354	2.1
269.17487	18.9
273.15030	1.7
275.20111	22.9
285.16940	4.4
291.19495	2.9
293.21005	3.2
299.20114	3.0
315.23224	1.7
331.22668	2.3
349.23843	27.2
355.22662	2.9
367.24808	5.5
369.24265	3.6
373.23706	2.2
385.23703	1.7
387.25302	2.6
419.24258	2.7
421.25925	6.8
429.26553	1.7
433.25406	2.1
435.27554	1.8
437.25287	3.4
443.28128	9.9
445.29929	2.2
447.27463	26.7
449.30539	5.0
459.27209	3.3
461.29004	83.7
462.29236	2.9
467.31790	2.7
477.28549	3.4
479.30139	9.7
517.13617	1.6
523.34052	4.6
531.33063	1.8
541.35297	75.5
542.35284	3.1
559.36334	38.4
577.37183	5.6
616.67023	1.7
793.38464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05039	0.7
56.18814	0.1
57.07080	0.2
58.06304	0.2
58.06622	0.5
59.07389	0.2
60.08165	6.2
67.05487	0.1
70.46164	0.3
71.07377	3.3
79.05455	0.1
86.09708	29.9
87.10033	0.1
91.05457	0.1
93.07041	0.1
98.98464	3.1
100.07628	0.2
104.10743	2.9
125.00008	20.2
136.06175	0.1
140.95036	0.1
143.01042	0.1
146.08128	0.8
184.07343	100.0
185.07695	0.8
244.58516	0.1
478.33051	0.1
496.33765	0.2
534.31519	0.1
690.47168	2.4
754.53638	0.1
772.54657	1.3
790.55774	4.7
791.56097	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
55.05260	0.7
55.05512	19.9
55.61581	0.9
57.03439	9.6
57.07078	2.8
59.05004	1.7
61.02932	1.9
64.08519	0.8
65.03957	2.4
67.05509	43.9
68.05827	0.9
69.03437	4.1
69.07073	13.9
69.82047	3.0
69.82454	2.5
71.01346	1.0
71.05001	7.4
79.05497	40.7
79.93959	1.0
81.03422	36.1
81.07060	39.2
83.04981	6.3
83.08621	15.3
85.02937	2.4
85.06547	3.5
86.09701	2.8
91.05486	44.0
93.07051	39.2
93.07644	2.2
95.04973	15.0
95.08614	26.9
97.02885	2.3
97.06561	4.8
97.10161	8.6
98.21555	1.2
99.08074	3.1
103.05465	1.1
105.04509	2.6
105.07034	34.1
107.04951	5.4
107.08591	23.1
109.06528	4.4
109.10151	13.2
111.08088	4.7
115.05490	2.6
117.07023	16.2
119.08588	31.0
121.06531	3.7
121.10156	18.0
123.08078	4.0
123.11692	3.8
125.00019	1.3
125.09624	7.9
128.06216	2.4
129.07013	11.6
130.07814	0.9
131.08583	21.2
133.06503	2.7
133.10141	18.3
135.08057	6.1
135.11696	10.2
137.09671	2.5
137.14438	0.9
141.07034	3.1
142.07768	2.5
143.08575	10.8
145.06432	1.0
145.10117	17.0
147.08063	2.6
147.11702	15.4
149.09639	4.4
149.13280	4.4
151.11218	2.1
155.08577	3.5
157.10159	12.3
159.08128	1.6
159.11690	14.2
161.09628	2.4
161.13260	7.5
163.11206	2.7
165.12721	1.3
167.08571	2.4
169.10115	5.7
171.08124	1.2
171.11682	9.7
173.09644	2.2
173.13242	8.8
175.11212	3.9
175.14853	3.0
177.12767	2.0
181.10156	2.5
183.11781	6.3
184.07309	8.4
185.09601	1.5
185.13264	5.8
187.11124	1.7
187.14890	3.3
189.11269	3.3
189.12813	1.1
193.12259	5.4
195.11725	3.8
195.13950	1.1
197.13312	4.6
199.14853	4.5
201.12779	1.4
209.13359	3.3
211.14862	2.5
213.14597	1.0
213.16425	1.7
217.15962	1.6
221.13211	2.2
227.12753	7.8
227.92444	1.0
231.20917	1.1
235.14922	1.6
235.17006	1.8
241.19495	3.0
247.16780	1.3
249.16493	1.0
257.18954	1.1
259.20596	13.7
265.19507	1.5
267.15887	18.0
271.20493	1.2
275.20123	2.2
283.20596	2.3
285.18417	1.2
285.22079	1.3
291.19620	1.7
297.22192	1.4
299.20364	1.3
299.23715	4.1
301.21674	1.8
307.64575	1.2
313.21518	1.1
315.23343	1.1
321.21521	1.1
333.24222	9.7
339.23318	1.8
349.23856	1.3
403.24902	2.1
407.24271	1.3
415.29919	2.9
421.25882	9.2
423.27209	1.5
433.31003	10.1
435.27283	4.8
437.28928	1.8
449.29031	2.2
451.32074	9.8
469.33228	5.2
489.33792	1.2
499.33957	2.4
507.34665	4.9
517.35040	3.8
525.35767	51.4
526.36298	1.9
541.34961	1.2
543.36853	100.0
544.37091	1.7
557.38666	8.9
567.36761	1.4
575.39575	15.9
618.35938	1.2
621.37360	1.2
633.38477	1.2
669.40057	1.2
705.41254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.9
58.06596	0.4
58.99092	0.3
59.86927	0.3
60.08168	7.0
60.44925	0.3
69.07056	0.4
69.17823	3.0
71.07378	4.0
71.08608	0.4
79.05454	0.3
81.07060	0.4
86.09711	34.7
89.36806	0.3
89.56947	0.3
91.16569	0.4
93.07014	0.4
98.98473	3.4
104.10752	3.3
125.00016	22.3
183.14651	0.3
184.07352	100.0
185.07637	0.6
248.73332	0.3
659.59290	0.3
753.52661	0.3
770.53101	0.6
785.68848	0.3
788.54468	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.4
55.05516	39.8
57.03203	3.0
57.03448	27.3
59.05020	4.0
61.02919	8.3
61.59274	2.8
65.03939	4.5
67.05512	87.1
69.03435	19.7
69.06728	4.2
69.07076	53.3
69.71976	13.4
71.01341	3.2
71.04996	25.6
73.02930	5.3
79.05502	90.9
81.03429	92.2
81.07066	100.0
83.04991	29.3
83.08234	2.9
83.08632	37.3
85.02914	33.7
85.06556	6.9
86.09757	4.9
87.04465	3.5
91.03930	4.0
91.05489	88.0
93.07051	72.5
95.04974	40.5
95.08607	39.7
97.02905	17.0
97.05930	4.9
97.06539	99.1
97.10160	10.6
99.04445	3.3
99.08096	7.6
105.07038	63.8
107.04965	29.8
107.08602	40.8
109.02921	6.5
109.06522	32.9
109.10159	22.8
111.04481	6.9
111.08081	24.2
113.06011	8.9
115.05484	4.3
115.07579	27.1
117.07025	25.7
119.08597	49.9
121.06509	14.0
121.10155	37.0
123.08070	13.4
123.11681	4.0
124.99971	3.0
125.07556	2.7
125.09634	12.9
127.03898	5.4
127.07533	5.3
129.05467	4.4
129.07022	26.3
130.07834	3.4
131.08582	36.7
133.06485	9.9
133.10132	32.3
135.08066	19.4
135.11694	8.2
137.09630	8.7
142.07800	8.0
143.08563	13.0
145.06570	3.5
145.10141	21.2
147.08049	12.8
147.11696	25.5
149.05951	2.8
149.09706	13.4
149.13255	10.2
151.11227	7.6
153.09085	3.2
155.08537	4.7
157.10167	27.4
159.08090	3.7
159.11661	17.4
161.09595	12.0
161.13239	3.6
163.03908	6.2
163.11179	12.9
165.12779	5.6
169.10072	4.3
171.11670	6.9
173.04495	6.2
173.09573	4.6
173.13255	3.7
175.11209	25.0
177.12781	5.6
183.11668	2.9
184.07393	5.6
185.13300	3.3
189.11192	4.1
191.10597	3.6
193.12267	52.5
195.13768	5.3
199.14774	3.0
201.12726	4.0
203.14290	3.4
209.11630	4.3
211.13281	55.6
217.15900	12.8
220.97133	3.0
227.12823	11.5
227.17673	3.2
229.14349	7.2
233.15440	3.9
245.19112	5.3
253.14362	4.3
264.16110	3.9
267.15900	39.4
269.17514	23.2
273.18518	36.3
275.20056	7.7
283.15341	15.3
285.16977	56.6
291.19635	31.6
307.19196	4.3
309.20679	3.2
315.51352	3.0
323.18542	3.6
347.22311	16.1
349.23743	5.7
365.23260	18.6
383.24295	4.0
437.25214	11.5
455.26096	2.9
459.27551	3.7
461.29117	15.3
477.28351	11.9
479.30115	30.3
499.29904	3.0
517.31250	6.1
539.33624	12.1
557.34869	53.7
575.35748	35.3
593.36621	10.1
665.99689	3.0
714.50537	3.2
790.42688	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	788.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.8
57.95689	0.2
58.06356	0.2
58.06630	0.5
59.07378	0.2
60.08165	7.1
67.05481	0.4
69.07062	0.2
70.06589	0.1
71.07373	3.1
71.52726	0.2
78.86618	0.1
79.47890	0.1
81.03401	0.1
81.07006	0.3
86.09708	32.3
91.05490	0.3
93.07091	0.3
95.05001	0.2
95.08620	0.2
98.98469	3.6
104.10740	3.1
105.07035	0.2
107.08564	0.2
109.10143	0.2
125.00008	22.8
136.06194	1.5
141.23615	0.1
166.02740	0.2
171.13168	0.2
184.07344	100.0
185.07735	0.4
204.12614	0.2
234.13618	0.8
436.36130	0.2
450.18246	0.1
452.56467	0.2
467.97430	0.2
496.33746	0.2
502.37073	0.2
562.26080	0.2
676.46472	0.2
690.47144	1.3
752.52606	0.2
770.53412	1.0
788.54279	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	788.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
55.05305	0.9
55.05514	9.6
57.03428	5.7
61.02930	1.5
65.03942	2.2
67.05510	22.9
69.03419	3.5
69.06739	1.1
69.07072	13.9
71.02503	2.0
71.04988	3.5
79.05494	20.3
81.03424	33.5
81.07058	31.9
83.04977	4.1
83.08622	10.5
83.67274	0.9
85.02912	2.0
85.06551	1.3
86.09716	1.5
86.75867	0.8
90.69263	0.9
91.05489	29.9
92.05013	2.0
93.07047	22.5
95.01323	3.8
95.04972	13.0
95.08611	14.9
97.02872	2.8
97.06536	9.7
97.10143	3.2
99.08128	1.4
101.14173	0.9
103.05495	1.1
104.91399	0.9
105.07035	34.1
107.04968	9.2
107.08594	11.8
109.06511	4.0
109.10159	6.1
111.04485	1.6
111.08101	3.1
117.07029	8.4
118.06534	4.9
119.07290	1.1
119.08597	21.2
121.06517	2.9
121.10146	7.1
123.08063	3.0
123.11696	2.2
125.00005	1.6
125.09600	1.4
129.07021	5.5
131.08574	13.2
133.06505	1.5
133.10127	18.3
135.08022	2.6
135.11691	4.1
136.58391	1.0
137.09616	1.4
142.07845	1.5
143.08575	2.0
145.10127	7.9
147.11687	10.7
149.09634	5.2
149.13275	1.1
151.11147	1.7
157.10123	5.8
159.11700	7.0
161.09584	2.2
161.13326	2.2
162.09120	4.6
163.11194	3.7
165.09117	1.3
165.12773	1.8
169.10118	1.8
171.11696	1.7
173.13228	1.9
175.11215	3.5
177.12686	1.2
179.14317	2.9
184.07336	4.8
185.13330	1.5
187.11125	0.9
193.12285	7.7
202.15875	1.0
211.13287	3.8
219.17421	2.6
229.14436	1.0
230.15402	7.1
247.20735	1.1
253.14348	1.8
267.15945	39.1
275.20123	22.1
276.20450	1.2
285.16910	3.1
292.19061	19.3
293.21024	1.4
349.23740	16.3
381.26501	1.2
386.34250	0.9
510.26944	3.0
529.38788	2.6
541.35266	100.0
542.35333	1.6
559.36346	5.9
583.80194	1.0
591.38452	2.8
608.44037	1.2
611.45856	0.9
626.44409	3.7
788.35632	1.8
788.49609	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.4
55.05274	3.4
55.05518	44.0
55.11152	2.7
56.52549	2.9
57.02895	2.8
57.03443	14.5
57.07067	3.9
59.04998	2.9
61.02911	12.8
65.03938	11.3
67.05511	86.1
69.03436	17.0
69.06774	2.8
69.07076	29.0
69.19997	27.6
71.05000	7.0
71.08605	4.7
73.02920	8.9
79.05502	57.2
81.03431	30.4
81.06600	5.3
81.07060	91.1
83.04975	13.0
83.08636	15.6
85.02905	15.0
85.06519	3.4
86.09697	4.7
91.03943	6.8
91.05489	69.3
93.06494	3.9
93.07050	64.1
95.04987	14.1
95.08614	56.0
97.02907	22.7
97.06535	19.7
97.10149	10.7
99.04426	4.6
99.08078	4.5
105.07038	59.8
107.04948	8.3
107.08597	43.6
109.02879	6.3
109.06509	10.4
109.10155	28.7
111.04423	4.5
111.08070	4.0
117.07027	28.4
119.08582	50.2
121.06512	3.6
121.10141	23.7
123.08048	8.2
123.11709	10.5
125.09624	10.3
127.03926	4.8
128.06282	4.1
129.05487	3.5
129.07024	21.1
131.08577	41.6
133.06522	3.7
133.10164	34.8
135.08069	8.5
135.11685	14.7
137.09613	5.5
141.06956	9.9
141.74649	3.1
142.07864	3.0
143.08580	20.6
145.06454	3.6
145.10129	32.2
147.08075	3.9
147.11699	21.7
149.02347	38.7
149.03459	2.9
149.09602	10.3
149.13269	7.6
150.02664	11.3
155.08531	14.6
156.09273	3.7
157.10098	24.6
159.11678	22.9
161.09641	5.5
161.13248	16.8
163.11169	7.0
163.14769	4.0
166.81308	2.9
167.08574	7.8
169.10181	18.8
171.11664	20.7
173.04491	6.3
173.09425	3.9
173.13278	13.7
175.11267	3.8
175.14812	7.7
177.12793	4.8
181.10095	9.2
182.10992	3.6
183.11690	16.5
184.07318	9.5
185.13301	14.3
187.14862	5.3
189.12808	3.1
193.04987	37.7
193.10173	4.9
194.05328	15.3
195.11644	9.9
197.13245	11.5
199.14789	9.3
207.11572	6.8
209.13235	11.5
211.14810	11.9
213.16469	4.8
221.13313	5.5
223.14838	7.3
225.16406	4.4
227.12666	6.4
227.17896	3.8
229.19496	4.1
235.14944	3.8
239.17792	3.4
241.19366	7.5
245.18959	3.5
253.19707	3.5
257.19006	3.6
259.20544	12.0
261.22241	5.7
267.15808	6.0
273.18469	8.8
273.22403	3.6
275.20087	18.2
277.21664	4.7
297.22113	3.4
333.24213	12.1
334.25464	2.9
335.25732	12.9
349.23767	4.3
368.28830	3.6
379.30008	4.1
435.32693	3.4
443.28125	4.0
475.26825	2.9
513.35968	28.5
515.38055	6.8
527.37012	12.1
533.39850	5.3
607.43500	53.4
608.43250	4.8
625.34631	5.4
625.44714	100.0
626.44855	3.7
689.42737	6.0
769.47742	8.1
770.17163	13.4
787.50342	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05507	4.3
57.03432	3.5
58.52943	0.6
59.05010	3.9
61.02915	3.0
67.05514	3.3
68.42767	0.6
69.03439	11.1
69.07063	2.1
69.37745	5.5
70.06593	1.8
71.05002	3.3
72.78777	0.7
73.02921	1.0
74.24158	0.7
79.05501	4.9
81.03418	4.3
81.07066	7.4
83.04984	10.1
83.08620	0.9
85.02914	13.4
85.06538	1.4
91.05486	7.9
93.07051	17.0
95.04974	5.5
95.08607	13.5
97.02892	3.5
97.06522	1.3
97.10153	1.8
99.04467	1.4
101.06023	1.3
103.05463	1.4
105.07041	9.0
107.04942	2.5
107.08598	9.8
109.02866	1.1
109.06525	20.4
109.07273	1.2
109.10175	3.7
111.04443	1.4
111.08096	8.2
113.05998	2.8
115.05366	0.9
117.07027	2.7
119.07810	1.3
119.08589	15.3
121.06516	36.3
121.10139	6.6
123.04413	0.9
123.08079	9.8
123.11685	1.2
125.09635	2.7
127.03899	4.2
127.07546	1.2
129.05528	1.2
129.07007	1.1
130.07756	1.1
131.07710	0.6
131.08568	3.2
133.10168	6.8
135.08070	18.6
135.11696	5.3
136.06281	0.9
137.05942	2.2
137.09618	7.1
139.07501	2.1
143.08534	1.4
144.09247	0.8
145.04970	3.5
145.06487	0.9
145.10136	9.1
146.07285	1.2
147.08063	5.2
147.11700	3.7
149.06007	10.5
149.09634	11.9
149.13271	2.6
151.07492	1.1
151.11215	5.4
153.09117	14.8
157.10136	1.0
159.11707	10.8
160.08865	2.4
161.09636	9.8
161.13173	0.7
162.10333	0.8
163.07556	1.5
163.11197	22.1
165.09126	75.4
166.09424	0.9
167.07014	1.5
171.06482	1.1
172.08908	1.8
175.11203	23.4
177.09123	1.9
177.12761	24.4
179.10663	10.1
187.11177	8.2
189.07480	1.1
190.09816	0.7
193.12262	58.2
195.13835	1.4
199.82758	0.7
205.12259	79.8
206.12750	1.5
221.11777	0.7
223.13304	100.0
224.13620	1.2
229.20529	0.8
293.85403	0.8
302.35138	0.7
331.15237	0.8
367.17563	4.9
424.99899	0.8
659.43768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03415	0.6
61.02895	0.8
61.71490	0.4
66.15281	0.6
67.05490	0.9
69.03434	2.9
69.07052	0.6
70.06587	2.8
71.52396	0.8
72.08156	0.7
73.02901	0.9
79.04671	0.5
81.03408	1.8
81.07056	1.2
84.08134	1.8
85.02917	6.6
85.06533	0.8
86.09698	1.4
88.54060	0.4
91.05481	9.0
93.06489	0.8
93.07043	11.6
95.04971	2.5
95.08558	0.7
97.02900	3.3
97.06556	0.9
98.06046	0.5
99.04475	0.6
103.05473	9.1
105.04482	1.1
109.02868	1.1
120.08138	0.9
121.06506	100.0
121.16422	0.5
122.06823	1.0
122.30142	0.5
123.04452	0.5
125.06019	0.9
127.03893	1.6
129.10257	0.7
131.15489	0.5
135.08041	0.5
137.05965	0.9
140.10666	0.8
141.03307	2.1
145.06334	0.5
146.06020	0.8
147.04373	1.0
151.03914	0.7
164.07069	7.5
173.05969	1.4
174.06766	0.6
177.05495	0.9
191.07018	2.9
201.05397	92.5
202.05824	1.2
205.06465	1.9
207.08078	0.8
211.07578	0.7
219.08073	1.5
220.05363	1.5
221.05896	1.1
222.06801	2.4
233.05992	2.0
234.06731	3.1
235.07509	10.1
236.08226	0.5
237.09103	11.1
239.06975	1.0
244.06061	3.4
247.07584	3.6
248.04755	2.8
249.05440	3.1
250.06224	3.9
251.07330	0.6
253.16142	0.5
254.09319	0.6
263.07056	17.7
264.07693	2.1
265.05197	1.4
265.08594	29.5
266.09259	1.6
267.06442	1.4
276.04248	0.8
279.10144	1.3
280.07324	5.4
282.08871	39.6
283.09332	0.8
291.06509	23.4
291.09775	1.2
292.07007	1.2
293.07947	0.8
295.09656	1.5
297.11218	26.9
299.09308	0.6
308.06647	3.4
313.10800	2.5
315.46848	0.6
323.09143	70.2
324.09290	1.2
327.08643	0.9
340.11740	1.2
351.08716	0.6
364.11746	16.3
369.09717	0.9
417.30032	0.7
460.17563	34.2
461.17764	0.7
485.14334	1.3
488.17072	45.0
489.17282	1.3
592.39899	0.7
606.96619	0.6
622.22821	28.9
623.22791	1.6
650.22339	81.4
651.22540	3.8
787.29498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.03441	1.7
57.07065	1.6
60.08154	0.9
61.02938	5.3
67.05509	5.1
69.03442	2.8
69.07074	1.3
71.08639	0.8
73.02927	3.6
75.12188	0.5
79.05495	4.9
81.03431	2.4
81.07064	4.9
83.08642	1.5
85.02911	6.0
85.10172	0.6
86.09720	2.3
91.03954	4.2
91.05489	4.4
93.07059	4.1
95.04970	1.3
95.08622	3.3
97.02879	4.1
98.20736	1.3
99.04477	1.1
101.02390	1.8
105.07032	2.7
107.08598	2.8
109.02901	1.5
109.10200	1.2
117.07030	0.7
119.08582	1.3
121.10133	2.7
125.00031	2.3
127.03951	1.6
131.08595	1.5
133.10152	1.4
135.11714	0.8
145.10170	1.1
147.11740	1.1
157.10182	0.8
173.13303	0.7
176.11427	0.7
184.07355	6.6
185.04272	0.9
193.12402	0.8
211.13403	1.6
212.13695	0.8
243.08432	2.2
246.73576	0.5
285.17108	0.9
286.17328	1.0
301.09039	0.9
305.90768	0.6
313.27530	1.8
314.27667	1.0
319.47275	0.6
334.69168	0.6
491.26236	7.0
523.40326	1.0
524.40332	2.9
535.29034	2.6
613.21027	0.7
785.48145	100.0
786.48438	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	785.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.9
55.05516	11.3
57.03439	5.3
61.02928	22.1
65.03936	2.3
67.05508	25.0
69.03432	6.5
69.07069	8.6
70.06609	0.9
71.04990	3.0
71.52357	0.9
73.02924	6.3
79.05497	21.3
81.03422	7.0
81.07062	21.1
81.46575	0.8
83.04964	2.5
83.08613	6.6
84.08158	1.2
85.02908	24.2
85.06546	1.3
90.26806	0.7
91.03963	15.1
91.05486	28.5
93.06482	1.5
93.07044	20.5
93.16091	0.8
95.04967	5.1
95.08611	16.1
97.02897	15.0
97.06535	5.0
97.10166	2.4
99.04455	2.3
99.08022	0.9
101.02390	1.3
101.03850	0.8
103.05469	1.9
105.07029	20.1
107.04944	3.9
107.08595	10.2
109.02891	1.7
109.06521	5.7
109.10153	6.2
111.04453	0.9
111.08057	2.0
115.05429	2.4
117.07027	17.4
119.04935	1.3
119.08583	12.9
121.06508	4.9
121.10126	4.7
123.04423	1.0
123.08067	2.7
123.11712	0.8
125.09612	2.1
127.03934	5.6
128.06224	5.0
129.07014	21.7
131.04939	1.3
131.08574	26.4
133.06476	3.3
133.10127	9.2
135.08051	2.8
135.11659	3.2
137.09636	2.3
140.68683	0.8
141.06982	9.0
142.07762	1.8
143.07512	1.3
143.08563	17.0
145.04950	4.1
145.06479	5.6
145.10127	11.4
147.08012	4.3
147.11690	3.8
149.09648	3.8
149.13280	2.2
151.11176	1.7
153.07030	2.1
155.08566	15.5
157.06488	2.6
157.08965	1.1
157.10147	11.3
159.08058	3.4
159.11690	8.7
161.09612	3.0
161.13284	1.2
163.03964	1.6
163.06059	3.8
163.07246	0.8
163.11182	2.5
165.07014	2.4
166.07762	1.0
167.08554	8.7
168.09178	1.0
169.10144	9.8
171.08069	2.0
171.11674	5.9
173.09633	2.3
173.13258	1.9
175.11177	2.2
177.12759	2.0
178.07767	1.0
179.08537	3.5
180.09286	1.4
181.10133	8.3
183.08043	1.6
183.11678	7.0
185.09610	3.0
185.13269	4.2
187.11218	2.0
189.12764	1.7
193.10101	3.5
193.12213	1.3
195.11729	8.6
197.13170	4.7
199.11156	2.7
199.14799	2.9
201.12753	1.3
205.10100	1.2
206.10976	1.0
207.11707	3.4
209.13213	4.3
211.11234	1.7
211.14807	3.6
213.12758	2.6
213.16318	1.4
215.14287	3.0
217.15857	1.0
219.11732	0.9
221.13271	6.0
223.11420	0.9
223.14822	5.5
225.12686	2.0
225.16396	2.1
229.16087	1.2
231.13814	1.1
233.15331	1.3
235.14851	3.1
237.16512	1.9
239.14320	3.4
239.17828	0.8
241.15895	1.5
243.13699	1.2
245.15431	1.4
249.16461	1.4
251.14220	0.8
253.15779	2.7
257.15302	2.1
258.91776	0.8
259.17032	1.8
271.16882	3.1
281.08325	0.8
305.22702	1.2
323.23752	3.0
333.22147	6.4
337.26028	0.8
341.24686	4.3
351.23187	24.2
355.15552	1.4
369.24237	20.0
387.25351	10.9
389.24799	0.9
393.68628	1.1
415.28458	1.4
425.26978	8.5
429.18918	0.9
433.29486	2.2
443.27948	100.0
444.28311	2.2
461.29004	63.9
462.29465	1.9
467.27765	1.1
503.29712	1.8
527.30139	0.9
551.29083	0.9
569.30487	1.1
587.31854	2.7
605.32446	2.6
623.33722	3.4
785.38831	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	783.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05518	1.9
57.03442	2.0
59.04995	0.8
61.02929	4.0
67.05515	4.7
69.03439	3.4
69.07080	1.7
71.01349	0.4
71.04998	1.6
71.52818	0.3
73.02923	3.3
74.98424	0.3
75.40788	0.4
76.71904	0.4
79.05497	3.6
81.03422	7.5
81.07064	4.3
83.05000	1.0
83.08617	0.9
83.28493	0.4
85.02928	4.4
85.06527	0.5
91.03961	3.0
91.05485	5.2
93.07037	4.5
95.04985	1.4
95.08617	2.8
97.02911	3.7
97.06509	0.5
97.10174	0.7
99.04480	0.8
101.02388	1.3
103.03957	0.6
105.07027	1.8
107.04980	0.5
107.08621	1.4
109.02888	0.9
109.06537	0.7
109.10175	2.5
110.07185	0.5
117.07053	1.0
119.08585	4.1
121.06540	2.0
121.07335	0.4
121.10169	1.1
123.08075	0.9
125.09655	0.8
127.03938	1.2
128.06343	0.4
129.06981	0.7
131.08603	0.8
133.10152	1.2
135.08058	0.5
135.11665	0.4
137.09612	2.2
139.07556	0.4
145.04912	0.5
147.08049	1.8
147.11781	0.6
149.09647	0.8
153.09145	1.0
159.11816	0.4
165.09119	2.3
167.53087	0.5
184.07458	0.4
185.04305	0.6
187.15042	0.4
203.05206	0.4
225.11105	0.4
239.12790	0.7
243.08409	4.3
255.12061	2.1
256.84570	0.3
283.15320	0.5
311.14728	1.3
333.20517	1.5
366.07782	0.4
413.18045	0.5
439.19476	0.6
441.26456	0.9
453.21075	0.6
459.27481	0.4
473.19968	15.5
474.20227	0.4
501.23233	1.3
523.25293	1.6
545.22784	0.6
551.28326	4.6
703.60516	0.4
783.41412	100.0
784.41815	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	784.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05035	0.5
62.63159	0.2
64.05113	0.2
65.09938	0.2
65.62891	0.2
67.05503	0.5
68.77293	0.2
69.07056	1.0
70.06589	0.2
70.57381	0.4
70.57715	0.4
71.08648	0.9
73.77721	0.2
79.05486	0.4
81.07044	0.6
82.90710	0.2
86.09707	100.0
87.10015	0.4
91.05479	0.8
93.07030	0.4
95.04984	0.3
95.08614	0.6
97.61557	0.2
98.09679	1.4
103.05471	0.9
105.07035	1.6
106.59071	0.2
107.08566	0.2
110.09686	0.2
112.11244	7.1
117.07013	0.5
119.08575	0.2
120.08108	41.2
121.08482	0.3
121.10106	0.3
132.08130	0.3
133.10124	0.4
139.12427	0.2
146.09648	1.9
154.15909	18.6
156.22797	0.2
157.13361	11.0
167.11856	0.2
174.09181	0.3
182.15489	0.3
183.18579	0.3
185.12857	14.5
188.14348	7.4
191.11832	0.6
199.18059	17.1
209.16541	0.7
215.15546	0.2
216.13843	0.3
218.26465	0.2
219.11331	1.1
225.19618	6.9
227.17537	14.6
233.16483	16.7
235.18166	0.4
243.14967	0.8
247.10770	0.2
253.19113	7.7
254.19435	0.2
255.17325	0.3
259.18030	2.4
261.15991	14.0
267.24323	8.4
267.27219	0.3
271.14508	0.3
277.22766	0.6
280.20273	0.6
287.17532	3.4
289.15570	0.4
295.23822	5.0
298.21249	8.2
301.22714	7.5
301.26050	0.4
302.23117	0.2
311.21329	0.6
314.18542	0.3
322.24997	0.5
327.24271	0.2
329.22250	4.4
332.19705	6.4
340.26013	2.2
349.22913	0.3
356.23489	0.9
357.21698	0.3
366.27466	2.8
374.24362	4.6
374.28766	0.3
383.30142	1.4
400.25952	4.0
402.23532	0.3
408.32275	0.8
411.29663	4.3
417.28607	1.8
425.34958	0.5
442.30579	1.6
445.28122	4.2
453.34509	0.8
455.26553	0.3
459.33112	1.2
473.27625	0.3
474.65958	0.2
479.35828	2.2
485.35202	0.4
487.32819	2.5
496.38510	1.0
513.34436	3.8
515.32111	0.3
524.37988	4.6
530.37061	2.4
552.37384	0.2
555.39319	1.6
558.36560	9.9
559.36890	0.2
568.35077	0.6
572.41815	0.6
586.35486	0.3
592.44440	1.4
598.43866	0.2
600.41211	1.9
605.41107	0.2
609.47015	0.7
626.42810	6.9
637.46460	2.5
643.45435	5.0
653.43719	0.8
655.45605	0.3
668.47394	0.8
671.44897	18.8
672.45294	0.6
681.43665	0.2
699.44421	0.4
711.51715	0.4
713.49567	0.5
739.51123	3.8
756.53790	7.8
757.54962	0.2
766.52319	2.4
784.53284	12.3
785.53180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.4
55.05513	26.7
57.03447	13.9
57.07065	4.8
59.55723	1.7
60.08141	1.7
61.02929	2.7
65.03933	2.5
67.05510	75.7
69.03433	1.9
69.07075	19.2
69.29496	5.1
69.29920	9.5
70.06605	3.0
71.04993	3.3
71.08640	1.8
76.51531	1.6
79.05498	79.1
81.03419	6.8
81.07060	73.1
83.04976	2.1
83.08631	10.9
85.02927	2.2
85.06522	4.2
86.09706	4.4
91.05488	70.6
93.07053	100.0
95.04983	8.1
95.08615	46.6
97.06520	4.6
97.10174	3.7
99.08098	4.4
105.04520	4.2
105.07041	62.4
107.08602	39.9
109.06536	3.1
109.10143	22.5
109.10732	1.9
109.49306	2.3
111.08095	3.9
113.09636	1.9
115.05441	1.9
116.07100	3.3
117.07037	21.7
119.08595	53.7
121.06501	2.0
121.10154	47.7
123.08091	3.6
123.11680	4.0
125.09641	1.9
129.07016	13.5
131.08577	29.8
133.10135	48.7
135.08014	4.2
135.11703	26.2
137.09583	2.0
143.08594	9.5
144.64401	1.6
145.10136	25.5
147.11699	39.3
148.38527	1.8
149.09621	4.7
149.13293	12.2
151.11136	1.8
155.08545	4.6
157.10152	14.7
159.11703	22.6
161.13269	20.8
163.11200	2.6
163.14836	4.8
163.97287	1.6
165.09200	1.8
167.08540	2.2
169.10139	3.6
171.11719	15.0
172.46266	1.7
173.13263	15.0
175.14859	6.2
183.11674	4.1
184.07329	11.7
185.13301	9.1
187.14822	6.2
189.16397	3.1
193.12202	1.8
197.13290	3.8
199.14880	6.8
201.16476	3.0
202.00342	1.7
211.14885	2.9
213.16428	11.3
215.17979	9.5
217.16020	1.9
229.15961	2.9
231.17436	11.0
231.21062	2.9
233.19040	4.8
237.16428	2.2
239.17990	3.1
241.19551	19.8
245.67456	1.8
251.17990	1.7
256.61368	2.0
257.19025	4.9
259.20615	39.1
261.22171	3.2
267.15927	4.1
268.16370	2.5
305.21136	7.4
306.74399	1.9
307.22681	70.6
309.24307	2.6
315.23340	3.3
333.24258	39.9
335.25821	9.5
340.29538	3.4
351.25238	4.0
353.28497	2.0
491.38782	4.9
565.42371	13.2
583.35248	3.2
583.43707	50.7
584.44177	2.9
727.47662	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	780.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
55.05515	25.8
57.03441	16.7
57.07064	8.3
58.58417	1.8
65.03927	5.2
67.05511	83.3
69.03423	2.8
69.07079	24.2
69.28621	17.2
70.06591	1.8
71.05000	9.8
79.05499	83.6
81.03425	4.2
81.07066	76.2
83.04967	6.3
83.08623	15.1
85.06539	7.7
86.09709	9.6
90.65226	1.7
91.05486	100.0
93.07053	81.3
93.07643	3.6
95.04986	9.3
95.08618	64.4
97.06565	9.0
97.10172	4.1
98.20720	3.2
99.08093	6.4
103.05461	2.2
105.04561	1.9
105.07040	83.0
107.04954	2.6
107.08601	41.8
109.06541	3.1
109.10152	29.2
111.08076	2.7
115.05475	4.8
116.07081	2.4
117.07026	25.3
119.08588	68.7
121.06546	2.6
121.09328	3.6
121.10151	42.9
123.08111	4.1
123.11704	5.2
125.00005	6.5
125.09646	3.2
128.06206	7.2
129.05551	2.7
129.07014	22.2
130.07802	2.1
131.08586	35.8
133.10143	89.0
135.08034	3.9
135.11694	31.1
140.39040	1.9
141.07014	3.0
142.07735	4.7
143.08574	15.0
145.09077	2.8
145.10147	34.4
147.08145	1.9
147.11702	77.5
149.09625	8.0
149.13240	10.8
155.08537	5.3
156.09250	3.5
157.10147	27.3
159.11707	25.5
161.09543	3.5
161.13252	10.2
163.11227	4.0
163.14900	2.8
165.12819	1.9
169.10106	9.6
171.11707	40.5
173.13281	9.8
175.11217	4.7
175.14873	5.3
183.11736	4.2
184.07364	31.1
185.13254	7.6
187.14861	15.7
189.12708	4.6
189.16370	8.1
195.11598	2.0
197.13281	3.9
199.14880	4.6
201.16335	3.9
203.17967	15.5
211.14764	4.3
213.16400	58.9
215.17976	10.5
223.14993	2.5
229.15904	7.1
231.17456	88.9
233.18976	6.7
235.14801	2.2
241.19582	3.5
257.19031	3.5
259.20560	6.2
261.22098	5.5
277.21463	2.2
283.20374	2.1
305.21097	33.8
307.22562	8.8
309.24286	3.4
314.22137	1.9
333.24179	6.2
335.25821	69.2
337.27368	2.7
368.26678	1.7
400.53009	2.0
411.04181	2.5
424.38245	1.8
431.23776	2.2
491.38828	7.3
501.36298	2.3
509.39722	2.5
565.42358	12.3
583.43555	63.6
709.46246	2.1
809.09314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05303	0.9
55.05515	9.4
57.03442	8.8
57.07081	0.9
59.92940	0.8
65.03949	1.6
67.03527	0.8
67.05510	28.6
69.03404	2.3
69.06721	1.4
69.07067	12.2
69.29176	6.5
71.04984	1.0
79.05496	26.6
79.15683	1.0
81.03423	3.8
81.07060	29.3
83.04964	2.4
83.08611	5.4
83.67629	0.9
85.06546	2.5
86.09721	1.7
91.04913	1.2
91.05482	25.2
93.07050	29.3
95.01332	1.7
95.04968	3.3
95.08615	19.8
97.06538	6.0
97.10184	2.1
98.47630	0.9
99.04456	1.6
99.08102	2.5
105.07040	27.9
106.92465	0.9
107.04959	4.0
107.08599	11.7
109.06502	3.0
109.10178	7.8
116.07121	1.4
117.07027	6.7
119.08583	16.1
121.06513	1.6
121.10157	13.3
122.84154	1.1
123.04475	0.9
123.08102	2.3
123.11706	2.8
129.06992	1.6
131.08574	11.3
133.10146	14.4
133.56659	1.1
135.08084	1.1
135.11705	5.3
143.08585	1.8
145.10141	9.2
147.11685	5.8
149.09602	3.4
149.13271	3.0
157.10175	1.4
159.11693	4.7
163.11163	1.8
169.10138	1.0
171.11719	1.2
173.13287	1.8
175.14821	0.8
177.12776	0.9
179.14307	3.5
184.07463	4.4
187.11209	1.0
197.13348	1.4
201.16435	1.3
203.14272	1.0
215.17949	1.9
219.17456	36.2
267.16046	2.7
275.20074	18.9
307.22693	75.4
313.27039	0.9
349.23767	16.0
531.40662	1.2
572.43976	1.1
581.42065	100.0
582.42334	3.1
599.42249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05524	2.6
57.03433	2.1
61.02927	4.4
67.05508	5.7
69.03437	2.7
69.07079	3.1
71.05009	1.3
71.52221	0.5
73.02932	3.5
79.05502	4.7
81.03418	6.3
81.07063	5.8
83.04996	1.3
83.08624	1.5
85.02911	5.3
86.09692	0.8
87.04465	0.8
91.03973	2.6
91.04503	0.5
91.05479	5.8
93.07043	3.8
95.04968	2.1
95.08611	2.2
97.02908	4.4
97.06525	0.9
97.10193	1.0
99.04487	0.8
101.02399	1.8
105.07031	3.6
107.04959	0.9
107.08616	2.1
109.02917	0.8
109.06543	1.4
109.10153	1.2
111.08099	0.6
117.07065	1.0
117.74868	0.5
119.08590	2.9
121.06577	0.7
121.10178	1.4
123.08130	0.6
127.03926	1.9
129.06976	1.0
131.08582	1.8
133.10144	2.0
135.08144	0.9
135.11702	0.9
137.09636	1.1
145.10188	0.9
147.11713	1.7
149.09637	0.7
157.10149	1.0
163.11235	0.5
175.11221	0.6
184.07419	1.8
185.04312	0.6
193.12337	1.8
194.12698	0.6
203.05360	0.6
211.13239	0.8
239.12923	0.5
243.08467	2.9
251.12508	1.1
267.16013	0.6
313.17639	0.6
333.20465	1.9
360.92096	0.5
375.22797	0.6
453.20703	0.7
469.20493	8.5
514.32843	0.6
521.51404	0.5
526.57483	0.6
532.32635	1.0
551.28412	4.3
726.36951	0.6
779.41888	100.0
780.42499	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05516	1.5
57.03434	1.4
59.04995	0.5
61.02933	4.6
62.65406	0.2
67.05177	0.5
67.05505	4.7
68.37797	0.2
69.03439	2.6
69.07077	1.4
69.97839	0.5
69.98238	0.8
71.04996	1.4
73.02920	3.4
79.05501	3.5
81.03418	2.7
81.07056	4.5
83.04977	0.5
83.08624	0.9
85.02911	5.4
86.09734	0.5
87.04481	1.0
91.03958	3.1
91.05480	3.1
93.07047	3.8
95.04983	0.9
95.08620	4.0
97.02898	4.3
97.06527	0.5
98.21494	0.3
99.04475	0.9
99.08084	0.3
101.02365	1.4
103.03930	0.5
105.07030	1.9
107.05030	0.3
107.08595	2.5
109.02912	0.7
109.06559	0.3
109.10155	1.4
111.08083	0.3
115.03973	0.5
117.07012	0.5
119.08604	1.4
121.10129	2.4
123.08101	0.5
123.11694	0.4
125.09657	0.4
127.03957	1.1
129.05415	0.3
131.08556	1.2
131.82602	0.3
133.10146	1.4
135.11732	1.1
145.10179	0.5
147.11716	0.8
149.09625	0.8
149.13245	0.5
161.13351	0.4
175.11220	0.6
184.07416	1.0
185.04309	0.6
193.12332	0.9
197.15381	0.3
203.05315	0.5
243.08401	2.0
283.15207	6.0
335.25833	0.8
339.17917	0.8
380.31537	0.2
469.20941	0.4
501.23145	7.2
501.30420	0.4
519.29340	7.2
751.90967	0.3
754.90076	0.3
779.45520	100.0
780.45551	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	778.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.1
55.05517	14.1
57.03421	9.9
57.07073	1.0
59.04987	1.0
61.02925	1.3
63.97161	0.7
65.03938	1.8
67.05510	32.4
69.03434	5.4
69.07075	18.9
69.85150	2.9
71.04996	4.1
73.02924	0.9
77.03915	0.7
79.05499	33.3
81.03424	100.0
81.07060	34.7
83.04983	8.9
83.08625	9.4
85.02895	3.4
85.06538	1.9
86.09716	0.8
91.05486	36.7
93.07055	35.1
95.04980	11.1
95.08613	19.0
95.09180	1.3
97.02903	3.8
97.06541	9.0
97.10180	9.8
98.20847	1.0
99.04425	0.7
99.08093	1.5
99.90167	0.7
101.06056	0.6
103.03973	1.1
103.05511	1.9
105.04561	1.0
105.07043	19.8
107.04956	5.4
107.08603	20.1
109.02879	0.7
109.06531	6.1
109.10165	12.5
111.08092	4.1
113.09643	0.7
115.05475	1.5
117.07018	10.5
119.04984	0.7
119.08589	31.2
121.06516	9.5
121.10159	9.3
123.04446	2.1
123.08105	4.2
123.11749	2.3
125.06041	2.0
125.09641	8.7
127.03955	1.2
128.06250	0.9
129.07034	7.1
131.05045	0.8
131.08572	10.0
131.09517	0.8
133.06483	2.5
133.10150	12.8
133.11108	1.1
135.08069	7.7
135.11687	6.3
137.09634	22.6
139.07553	0.7
139.11212	0.9
141.07019	2.7
142.07816	1.0
143.07083	2.2
143.08578	5.3
145.04945	0.9
145.06537	2.3
145.10138	9.1
147.08067	7.3
147.11705	6.9
149.09644	7.5
149.13251	3.5
151.11157	1.3
153.09154	2.1
155.08580	2.0
157.10118	4.2
159.08113	2.2
159.11676	6.2
161.09659	2.9
161.13272	1.5
163.07495	0.8
163.11172	3.7
165.09126	21.3
167.08562	1.2
169.10095	3.4
171.08070	0.9
171.10367	1.2
171.11749	3.3
173.04549	1.1
173.09674	1.6
173.11902	1.0
173.13298	2.8
175.11296	2.2
175.14880	1.1
177.09180	2.3
177.12773	1.8
179.08609	0.9
179.14359	1.5
181.10194	0.9
183.10240	1.3
183.11737	3.4
184.07405	1.7
185.09625	1.3
185.13251	2.0
187.11246	2.5
187.14809	0.9
189.09702	0.7
189.11211	4.1
191.10876	1.0
193.12254	1.6
195.11862	1.1
195.13811	1.4
197.09604	0.8
197.11691	0.8
197.13347	1.4
199.09653	1.8
199.11267	0.8
199.14888	1.7
201.12846	0.8
205.12292	1.1
207.10152	1.0
211.11206	0.9
211.15024	0.8
219.13844	0.9
221.11694	1.2
225.16534	0.8
227.10701	0.7
227.12735	9.5
229.14400	2.9
231.10210	1.0
233.15363	1.0
239.12793	61.7
240.13190	1.3
241.14323	1.5
245.13826	1.6
247.17093	1.3
247.20554	1.1
253.16016	1.0
255.15898	3.6
257.19067	2.1
259.20728	0.8
267.15866	7.0
269.17404	8.7
271.17068	1.6
273.11328	1.4
275.20071	13.0
287.20450	0.9
293.21268	1.2
295.20663	0.7
299.20065	1.3
321.20865	0.9
323.20251	1.8
331.22940	1.0
339.21707	3.3
341.21249	2.6
349.23703	12.4
351.09918	0.7
357.20776	1.5
359.22043	1.2
367.25000	2.3
372.11685	0.8
375.21829	0.9
389.23495	1.1
391.21167	1.7
393.22943	2.9
397.23953	0.8
401.23242	2.0
403.26151	1.7
407.24496	1.5
409.22293	2.9
415.24863	5.5
417.26926	0.8
419.24335	15.8
421.27545	3.3
431.24283	2.0
433.25903	47.5
434.25912	0.8
439.28540	2.9
447.27252	0.9
449.25140	1.3
451.27338	0.9
457.29916	1.0
465.28564	7.8
473.29614	1.3
475.26672	1.3
485.32819	1.3
495.31183	3.5
513.32153	52.8
514.32208	1.4
531.33234	26.9
545.34827	3.2
553.26367	0.9
559.28900	1.0
563.36090	3.9
577.30420	1.0
620.44043	0.9
639.34705	0.9
743.47852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60411	1.9
55.01838	2.0
55.05515	20.7
57.03430	8.2
57.07071	4.6
60.08184	1.7
65.03940	4.1
66.84464	1.8
67.05508	48.8
68.42118	1.7
69.03413	4.5
69.07071	18.1
69.18636	17.8
70.06587	2.1
70.13132	1.6
71.08621	3.6
71.45872	1.7
72.97043	1.6
73.02917	2.3
79.05495	67.8
79.07465	1.6
80.05848	1.6
80.33234	1.8
81.03412	3.1
81.06586	3.2
81.07058	47.7
83.04979	2.8
83.08620	14.8
85.10178	2.0
86.09715	13.3
89.06027	6.7
91.05486	44.2
93.06488	3.6
93.07050	62.5
95.04967	5.8
95.08614	33.5
97.06509	2.6
97.10199	2.1
98.20824	4.5
105.04553	2.6
105.07037	27.6
107.04956	11.1
107.08607	33.8
109.06528	4.7
109.10172	17.9
111.08085	2.3
115.05489	2.3
116.07078	2.7
117.07030	16.7
119.03463	2.0
119.08588	30.2
121.10152	27.9
123.08055	2.6
123.11687	2.7
125.00021	8.4
125.05944	2.2
129.07013	4.0
131.08571	40.4
132.07874	1.6
133.08585	2.3
133.10130	25.8
135.08055	3.4
135.11688	24.0
137.09572	4.1
137.13232	2.0
138.27834	1.6
141.06984	1.9
141.09109	3.3
143.08572	4.2
145.10127	27.7
147.11708	6.8
149.09633	37.0
149.13271	2.6
157.10100	5.6
159.11705	21.0
161.09714	2.2
161.13142	2.1
163.11205	4.0
169.10106	3.2
173.13275	11.3
175.11136	3.0
175.14757	3.1
184.07333	39.5
185.13228	7.8
187.11121	2.8
201.16400	33.5
203.17949	12.9
211.14833	2.3
219.17509	2.0
229.15901	13.4
232.63588	1.8
247.17047	10.3
248.77354	1.7
275.20135	6.8
293.70715	1.7
307.22729	19.0
321.20673	14.7
335.25790	36.0
349.23730	3.1
483.34732	4.2
516.23572	2.1
540.42645	2.3
567.10358	1.8
581.42041	100.0
582.42078	4.0
599.43195	3.7
778.54108	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	777.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.8
55.05519	19.8
57.03446	21.3
57.07083	2.4
65.03936	6.0
67.05510	74.4
67.90305	2.1
69.03397	4.5
69.07079	14.5
69.58086	14.2
71.04985	5.3
72.74540	2.2
79.05076	4.3
79.05501	63.6
81.03411	4.1
81.07063	62.9
83.04992	5.6
83.08593	8.0
85.02894	3.1
85.06546	10.3
91.05486	41.8
93.07053	57.2
95.04383	3.8
95.04977	61.9
95.08611	28.6
97.06512	6.4
97.10159	2.9
99.08082	5.4
101.02482	2.6
105.07033	29.7
107.04955	9.7
107.08608	26.0
109.05804	3.9
109.06528	64.7
109.10156	15.8
111.04454	3.3
111.08110	3.6
113.06033	25.7
117.07044	17.8
119.08584	21.0
121.06522	6.3
121.10151	22.0
123.08057	7.1
123.11697	2.3
129.07013	7.3
131.08598	19.1
133.06450	2.4
133.10112	12.1
135.08060	43.5
135.11694	10.4
135.54236	2.5
143.08540	9.4
145.10118	18.4
147.08038	6.9
147.11693	4.9
149.09639	7.2
149.13266	5.4
155.08603	2.6
157.10115	8.7
159.08153	2.3
159.11691	7.5
161.09627	8.7
163.11195	3.6
171.11642	5.5
173.13374	3.0
175.11116	3.6
177.12726	4.4
184.07352	2.7
199.14717	3.3
200.95586	2.3
217.15825	12.7
223.13361	2.3
233.18977	2.8
271.83939	2.4
273.18491	38.2
291.19559	100.0
292.19836	3.4
307.22708	90.9
347.22470	11.0
365.23260	19.1
386.15308	2.7
579.40436	15.8
597.41541	81.4
615.42273	4.1
635.55157	2.3
777.44525	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	778.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.8
55.05273	1.6
55.05516	21.0
57.03161	1.6
57.03436	25.0
59.04995	2.0
65.03933	2.6
67.05513	41.7
67.56281	1.1
69.03442	7.4
69.07076	35.8
71.01360	1.2
71.04990	8.1
71.66960	1.2
73.02881	1.6
73.06559	1.8
76.38910	1.0
77.03933	1.4
79.05501	59.7
81.03424	100.0
81.07060	47.8
83.04990	12.0
83.08632	22.2
85.02908	4.7
85.06542	2.8
86.09721	3.7
91.03932	1.4
91.05489	53.4
92.05780	1.6
93.07051	47.9
93.07645	2.4
95.04977	30.2
95.08617	29.7
97.02895	4.6
97.06546	13.6
97.10177	8.6
99.08096	2.4
105.04524	1.6
105.07039	34.5
107.04968	15.8
107.08604	27.4
109.02892	1.5
109.06549	7.6
109.10178	10.3
111.04465	2.7
111.08085	6.7
115.05456	4.5
115.07596	1.5
117.07017	14.6
119.04946	1.3
119.08590	33.3
121.06509	10.9
121.10147	27.4
123.04386	2.1
123.08072	9.3
123.11711	3.3
125.00024	1.7
125.06007	5.6
125.09635	8.7
128.06276	2.5
129.05545	2.5
129.07007	13.8
131.04967	1.9
131.08583	28.7
133.06514	6.6
133.07341	1.1
133.10155	19.1
135.08055	13.4
135.11690	5.0
137.09641	12.7
139.11177	4.1
141.07004	3.5
142.07806	2.6
143.07072	7.1
143.08553	6.2
145.06491	3.0
145.10135	21.7
147.08029	6.6
147.11722	12.2
149.09637	25.4
149.13194	1.7
151.07512	1.7
151.11217	3.1
153.09109	4.0
155.08534	5.8
157.10143	12.3
159.08083	2.7
159.11676	9.6
161.08304	1.8
161.09557	6.9
163.11186	8.1
165.09134	6.9
165.12740	1.5
167.08600	1.4
167.10696	2.6
169.10115	7.0
171.07999	2.0
171.10254	2.1
171.11696	4.6
173.09689	3.5
173.13226	2.8
175.11203	9.9
177.09149	2.5
177.12694	1.8
181.10120	1.3
183.10184	1.3
183.11694	4.2
184.07376	7.3
185.09634	1.8
185.13249	2.8
187.11195	5.2
187.14784	2.4
189.11226	3.2
189.12755	2.6
193.12260	14.3
197.09686	1.7
197.13268	2.4
199.09663	8.8
199.11177	2.1
201.11220	2.9
201.16348	7.7
203.14314	1.3
205.12239	2.9
207.11829	2.0
209.13324	1.5
211.11230	2.0
211.14894	3.4
213.12901	1.5
215.10812	1.4
215.14494	1.5
219.13914	1.2
219.17372	2.5
223.13379	5.0
223.98892	1.3
227.12738	13.7
229.16090	6.7
239.12787	25.9
241.14343	16.4
245.15477	1.3
247.16988	12.9
249.14870	2.2
265.18018	2.2
267.15927	52.1
271.16907	1.6
275.20023	5.0
293.21167	3.9
301.14636	2.4
313.21762	1.6
321.20691	22.6
323.19952	1.9
327.19632	3.8
339.21674	5.3
341.21100	5.4
349.23816	5.4
359.22208	1.6
367.24847	5.4
371.21280	1.4
373.24011	1.7
375.21677	2.4
391.21127	2.2
393.22769	3.7
393.27609	1.5
401.23276	2.8
403.26297	2.6
407.24316	2.1
415.24741	8.1
419.24258	16.2
421.27518	5.8
431.24353	3.8
433.25870	45.7
439.28506	2.9
443.24365	1.9
447.27640	1.6
449.25266	1.9
451.26813	1.7
465.28217	3.8
473.28732	1.9
495.31076	5.4
513.32196	58.1
514.32538	2.6
531.33215	45.2
532.33728	1.8
563.35321	4.0
669.45190	1.3
734.40112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
55.05515	42.2
57.03444	16.2
57.07073	2.8
59.04997	2.2
61.02927	4.5
65.03943	3.2
67.05508	100.0
69.03435	3.6
69.07073	18.4
71.01380	1.4
71.04991	4.4
71.52389	1.1
73.02901	2.1
79.05502	52.2
80.05808	1.8
81.03435	8.4
81.07062	64.0
81.30934	1.2
83.04985	5.7
83.08623	17.2
85.02909	14.1
85.06558	3.0
87.04467	4.9
91.03941	2.0
91.04920	1.5
91.05486	29.6
93.07050	47.0
95.04987	5.7
95.08614	40.7
97.02888	5.8
97.06543	6.0
97.09561	1.4
97.10181	20.8
105.07042	17.9
107.04949	2.8
107.08608	33.1
109.06503	3.0
109.10165	53.9
111.04436	1.3
111.08074	4.6
117.07068	8.1
119.08583	17.7
121.06473	1.5
121.10155	20.1
123.08044	2.8
123.11709	5.4
125.09637	19.1
129.06970	2.8
131.08572	10.5
132.08896	1.3
133.10135	10.8
135.08086	2.0
135.11705	9.8
137.09615	4.8
137.13220	1.8
139.11189	3.3
143.08534	2.1
143.10675	4.1
145.10127	9.6
147.08089	1.5
147.11717	7.1
149.09607	4.4
149.13293	5.9
153.12822	1.5
155.10689	4.7
156.21559	1.2
157.10133	2.9
159.10533	1.5
159.11707	7.0
161.13228	2.8
163.11166	5.7
163.14781	2.6
170.46104	1.1
171.11623	2.1
173.09578	1.4
173.11740	17.1
173.13271	5.9
175.14864	2.0
177.12669	1.3
183.11682	1.4
184.07364	3.0
185.13242	1.4
187.11205	1.3
187.14810	3.5
191.10683	1.8
193.12262	3.2
199.13297	10.3
201.16455	1.2
209.11708	2.2
211.13263	1.7
217.14288	1.5
227.12741	6.4
229.14365	46.3
241.14337	1.2
243.21150	4.3
245.13870	2.4
257.13776	1.5
261.22137	13.2
267.15878	4.1
277.21698	1.7
283.15552	2.1
289.21457	1.3
299.23624	1.6
301.16513	18.8
317.24774	2.0
319.17581	1.4
321.74677	1.3
327.23337	1.8
335.25827	75.2
336.26132	2.7
363.25369	2.1
403.32339	1.3
477.35822	11.6
489.35803	19.4
543.36621	4.3
561.37781	10.6
579.38611	2.4
654.74005	1.4
776.41571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05487	0.4
57.03421	1.6
61.02900	1.8
65.03946	4.9
65.29805	0.5
67.05514	2.4
69.03092	0.6
69.03432	8.5
69.07064	0.9
69.54000	1.0
69.54411	1.7
70.06563	1.2
70.95065	0.4
71.01355	0.7
71.04956	0.7
73.02900	1.6
77.03914	0.6
78.04716	2.8
79.05488	2.5
81.03416	3.8
81.07045	1.8
82.04179	1.6
83.04972	0.5
84.08121	0.4
85.02911	13.5
86.09695	0.8
87.04464	1.0
91.05485	7.2
93.03381	1.6
93.07068	0.8
94.04179	0.9
95.04977	2.1
95.08579	1.0
97.02391	0.5
97.02894	5.1
97.06506	1.4
99.04434	1.1
103.05471	7.0
105.07009	1.1
106.04151	1.9
107.04958	4.2
108.02084	0.7
109.02856	1.8
110.03671	2.6
111.04408	1.3
113.09650	0.6
115.05463	7.4
117.06235	0.7
117.07026	9.0
119.04949	6.1
119.08581	1.2
121.02814	0.5
121.06515	1.4
122.03656	1.4
123.00810	0.5
123.04436	7.5
124.05199	2.6
125.05988	2.8
127.03920	1.9
127.05427	2.1
129.07014	0.7
131.04926	11.1
131.08574	0.4
133.02852	1.4
133.06459	1.2
133.10150	0.6
134.03653	0.6
135.04370	0.5
137.05980	14.2
138.03116	1.2
139.03867	0.5
139.07587	0.4
142.02646	2.3
143.04913	1.2
144.05696	0.9
145.04852	0.8
145.06493	12.5
145.10153	0.5
147.04411	8.6
147.08011	1.9
149.05927	0.8
151.03894	2.6
151.04962	0.5
151.07561	2.6
152.04671	2.0
153.05475	2.5
155.04871	0.8
155.06030	5.8
157.06448	0.6
159.04391	0.5
159.11670	0.6
160.05170	1.8
161.05988	2.4
163.07559	10.9
165.05505	1.4
167.07047	100.0
168.07372	1.5
171.04355	0.6
171.06564	2.7
171.11777	0.6
172.05280	1.0
173.05994	23.4
174.06702	0.7
175.03993	0.5
175.07487	2.6
177.05511	0.6
177.09113	0.5
179.07036	3.1
179.08437	0.8
181.04959	87.5
182.05345	0.9
187.07516	0.7
188.04680	0.9
189.05464	0.9
190.06305	0.8
191.07008	2.0
193.08562	0.8
195.06503	0.6
200.04617	0.6
201.05481	1.8
203.07045	5.2
205.06795	0.3
205.08603	8.4
213.05527	0.4
213.16429	1.9
215.06886	0.5
217.08595	0.6
218.05710	0.4
219.06493	1.6
220.07309	0.6
221.06215	0.6
221.08054	2.6
223.07404	0.6
231.06541	1.6
233.06079	0.6
233.08084	13.8
234.06744	0.6
235.07571	0.8
235.09651	8.2
237.09100	0.5
239.07057	0.8
241.08514	0.5
245.08125	0.7
249.05362	0.9
249.07698	1.2
250.06303	1.7
251.07057	0.6
254.09529	0.5
255.17537	0.4
261.07568	0.6
263.06836	0.7
263.09222	1.6
265.08673	1.7
267.06491	0.8
271.09631	0.8
273.18442	1.4
275.09259	0.6
277.04980	0.6
278.05853	0.5
281.08047	0.5
282.08813	0.9
283.09573	0.8
291.19565	0.8
292.07080	0.6
293.08102	2.2
294.08871	1.0
295.06497	0.8
295.09714	1.0
297.11188	2.0
299.09235	0.6
299.12439	0.8
309.07642	0.8
310.08401	1.8
311.09180	1.0
313.10648	0.8
325.10724	2.2
326.11539	1.8
327.08691	0.7
327.12369	0.6
329.13797	1.2
339.12442	0.5
342.10992	0.6
345.13504	0.5
353.10352	1.9
355.11880	0.7
357.13348	10.9
367.11719	0.5
370.10318	0.6
370.14438	0.8
381.13293	0.5
384.12192	0.6
385.12839	32.9
386.13376	1.3
387.14349	7.5
397.12704	1.1
397.30936	0.8
399.14429	1.2
403.13864	8.8
409.13617	0.5
415.13922	7.8
415.32132	2.5
416.14670	0.5
417.15466	17.4
417.21042	1.0
418.15884	0.6
433.33337	0.6
515.16779	0.8
535.19312	1.1
547.19830	0.6
559.17749	0.7
565.20892	2.5
567.22424	1.1
577.19531	3.4
579.22144	0.8
589.22748	0.5
595.20898	4.3
613.22919	3.2
676.29260	0.5
757.26715	0.6
775.28052	48.6
776.27942	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.3
57.03434	2.4
61.02933	1.7
65.03947	4.5
67.05508	1.6
69.03432	8.6
70.06526	0.9
70.06876	1.0
71.04980	0.8
72.08163	0.4
72.93737	0.3
73.02893	1.1
78.04713	2.9
79.05504	1.8
80.29411	0.4
81.03414	3.5
81.07032	0.6
82.04185	1.4
85.02908	11.6
87.04440	1.1
91.05478	7.0
93.03394	1.8
94.04185	1.0
95.04976	2.0
97.02898	5.0
97.06522	1.3
99.04447	0.8
103.05465	3.5
105.03419	0.5
105.04479	0.4
105.07030	0.7
106.04149	1.5
107.04420	0.3
107.04964	3.7
108.02070	0.9
109.02846	1.1
110.03036	0.3
110.03667	2.8
111.04439	1.0
115.05468	6.2
117.07021	8.6
119.04951	7.1
119.08580	0.6
121.02238	0.4
121.06499	0.8
122.03645	0.8
123.00713	0.3
123.04439	7.6
124.05215	2.5
124.35692	0.4
125.06007	1.9
127.03902	1.2
127.05447	1.2
128.06209	0.7
129.06970	0.6
129.10271	0.4
130.04102	0.5
130.97903	0.3
131.04935	5.3
131.33495	0.3
132.05679	0.4
133.02849	1.4
133.06496	0.8
135.04422	0.5
137.02538	0.3
137.05983	11.0
138.03136	1.4
142.02611	2.4
143.04919	1.3
144.05690	0.5
145.06490	13.1
147.04414	8.7
147.08083	1.6
149.05989	1.2
151.03941	2.5
151.07593	1.6
152.04675	2.1
153.05504	2.0
155.04887	0.5
155.06050	5.6
155.07172	0.6
157.04973	0.4
157.06447	0.5
158.97742	0.4
159.04391	0.6
160.05188	1.1
161.05977	1.9
163.07573	4.1
165.05469	2.0
167.07047	100.0
168.07452	0.7
170.19933	0.3
171.06577	2.7
172.05223	0.5
173.05994	22.3
174.06667	0.6
175.03931	0.4
175.07565	2.6
176.04698	0.4
177.05534	0.7
179.07047	3.1
181.04962	79.5
182.05309	0.7
187.07587	0.5
188.04764	0.8
189.05383	0.8
190.06194	0.4
191.07097	1.8
194.07173	0.4
195.08075	0.6
201.05466	1.0
203.07042	5.0
203.08781	0.6
205.06755	0.5
205.08603	7.5
207.06517	0.7
207.10184	0.7
213.05579	0.7
217.08585	0.8
219.06551	1.4
221.06117	0.6
221.08102	1.5
222.06813	0.8
223.07605	0.5
225.09669	0.4
231.06511	1.8
233.05832	0.7
233.08090	9.2
235.07520	0.8
235.09659	8.2
236.08316	0.4
237.09193	0.8
239.07065	0.5
243.10771	0.6
245.08116	0.5
247.07399	0.4
248.04561	0.4
248.41006	0.4
250.06279	1.3
251.06966	0.9
253.08661	0.4
257.04602	1.7
263.09241	0.6
264.07852	0.8
265.08606	1.8
266.09174	0.4
267.06644	0.8
267.10190	0.7
271.09653	0.5
277.08630	0.4
278.05844	0.7
279.06351	0.7
281.08020	0.8
282.08942	0.9
283.09686	1.3
285.11746	1.0
293.08127	1.5
294.08823	1.1
295.06210	0.8
295.09537	0.8
297.11298	1.9
298.12021	0.4
299.05853	1.2
299.09241	0.8
307.09546	0.8
309.07788	0.4
310.08447	1.8
311.09174	0.6
313.10687	0.4
314.11383	0.5
315.73599	0.3
317.06775	1.7
318.06915	0.7
319.07016	0.7
324.10056	0.8
325.10782	2.1
326.11493	1.5
327.08847	0.8
327.12366	0.6
329.13965	1.5
338.07986	0.4
339.08533	0.6
342.11099	1.2
353.10297	1.4
355.11710	0.9
356.12527	0.4
357.13315	9.1
357.17526	0.6
367.11804	0.9
385.12817	36.1
386.13315	1.3
387.14362	9.2
397.12888	0.9
399.14539	1.0
403.13882	8.6
415.13943	7.2
416.14798	0.7
417.15460	18.8
418.15784	0.4
515.17163	1.1
535.19403	0.5
547.19678	0.6
559.18158	0.6
565.20782	2.9
577.19366	4.4
595.21094	5.6
613.22876	3.6
636.55054	0.4
667.65137	0.6
757.27362	0.6
775.28064	50.6
776.28229	2.3
790.43195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.5
56.33110	0.5
57.03404	1.7
61.02900	1.7
63.52704	0.4
65.03944	4.6
67.05487	1.9
69.03434	8.4
69.07048	0.4
70.06576	1.1
71.04964	1.2
73.02901	1.8
77.03890	0.5
78.04708	3.5
79.05502	2.7
81.03420	3.5
81.07032	1.7
82.04172	1.7
84.08141	0.5
85.02908	13.0
86.09734	0.6
87.04435	1.5
91.03939	0.8
91.05474	6.7
93.03381	1.8
93.07020	0.8
94.04142	0.6
95.04967	2.2
97.02885	5.9
97.06484	2.1
98.21536	1.3
99.04424	0.8
101.02350	0.5
103.05473	6.9
105.03371	0.7
105.07005	1.4
106.04150	1.9
107.04951	5.2
108.02089	0.7
109.02847	1.9
109.06419	0.7
109.10159	0.8
110.03661	2.9
110.73672	0.4
111.04399	1.3
115.05462	7.4
117.07010	10.0
119.04239	0.6
119.04953	6.4
119.08548	1.5
121.06506	0.9
121.10141	0.6
122.03669	0.7
123.00859	0.7
123.03722	0.6
123.04446	6.8
124.05183	2.1
125.05975	1.9
127.00113	0.5
127.03890	1.6
127.05432	1.2
129.06961	0.8
131.04930	11.1
131.08578	1.1
132.05685	0.9
133.02849	2.2
133.06494	1.1
133.10109	0.4
137.02318	0.5
137.05974	15.8
138.03125	1.1
139.07535	0.7
141.65083	0.4
142.02609	2.0
143.04922	0.9
144.05688	1.3
145.06491	14.4
145.10149	0.6
147.04410	9.2
147.07985	1.7
149.05989	0.9
151.03922	2.6
151.07538	2.0
152.04710	2.4
153.05461	2.7
154.79771	0.4
155.06017	5.5
159.07941	0.5
159.11673	0.7
160.05161	1.5
161.06007	2.9
162.06712	0.8
163.07545	10.8
165.05493	1.5
166.02554	0.5
167.07039	100.0
168.07358	0.9
171.06516	3.3
172.05168	0.6
173.05988	24.2
175.07532	3.4
176.04636	0.6
177.05470	0.9
179.07028	3.9
181.04951	85.9
182.05368	1.0
188.04695	0.7
189.05421	0.8
189.09085	0.8
191.07030	1.9
193.08575	1.1
194.07153	0.6
195.06512	0.7
197.06215	0.5
200.04652	0.5
201.05435	1.3
203.07011	4.3
205.06706	0.4
205.08598	7.8
207.08151	0.7
213.05559	0.8
213.16368	1.2
217.08612	1.1
218.05675	0.8
219.06544	1.6
221.06171	0.5
221.08000	2.1
222.06804	1.1
223.25294	0.5
231.06551	2.2
233.05971	0.7
233.08058	13.7
234.06705	0.6
235.07559	1.0
235.09630	8.4
236.08128	0.7
237.09105	0.7
239.07051	0.9
245.08049	0.8
249.07622	0.7
250.06297	1.0
251.09250	0.6
254.09496	0.6
255.10184	0.5
261.07693	1.0
263.06839	0.9
263.09256	1.4
264.07819	0.5
265.08591	1.1
267.06448	0.8
267.10315	0.6
269.07907	0.6
273.18387	1.7
279.06262	0.6
282.08893	1.3
283.09729	1.1
291.19516	1.0
292.07327	0.7
293.08069	1.3
294.08963	0.7
295.09668	1.1
297.11026	2.2
299.09286	0.6
310.08286	2.5
311.09229	0.7
313.10504	0.8
324.09839	0.7
325.10641	2.9
326.11560	1.3
327.08716	1.1
327.12189	1.0
329.13815	0.8
339.08652	0.5
342.10907	1.3
353.10196	1.5
354.10718	0.7
355.11819	1.1
357.13333	9.3
367.11838	0.7
369.13348	0.6
370.10400	0.8
372.12115	0.5
383.14877	0.6
385.12805	33.1
386.13580	1.3
387.14359	9.1
397.12964	1.2
397.31100	0.7
399.14453	2.0
403.13855	9.0
415.13858	9.7
415.31989	2.1
416.14639	1.1
417.15445	20.4
417.21045	1.1
515.17029	0.9
535.19641	0.7
547.19672	0.8
565.20667	2.8
567.22192	1.2
577.19519	4.4
583.21942	0.6
595.21088	4.8
613.22882	3.7
757.26550	1.0
775.28009	54.8
776.27753	2.3
797.29718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
55.53541	0.1
56.05038	0.5
56.71439	0.2
57.07065	0.3
58.06603	0.3
60.08171	6.4
67.05515	0.5
69.07072	0.4
69.61916	0.9
70.06625	0.1
71.07377	3.5
78.08833	0.1
79.05502	0.2
81.07069	0.6
83.08632	0.2
85.10202	0.2
86.09712	30.2
87.10040	0.2
91.05492	0.2
93.07042	0.3
95.08654	0.4
98.20915	0.4
98.21455	0.2
98.98476	3.4
104.10762	2.1
109.10246	0.2
125.00014	20.3
125.60243	0.1
166.02658	0.2
167.50812	0.2
178.29289	0.2
184.07353	100.0
185.07719	0.5
222.42357	0.1
308.29565	0.2
364.29803	0.2
496.34210	0.2
602.44421	0.2
603.45770	0.3
687.00238	0.2
724.93469	0.2
756.55353	7.6
757.55139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05471	0.5
57.03446	2.3
61.02924	1.9
61.95264	0.4
65.03941	4.2
66.94708	0.4
67.05508	2.1
69.03435	9.4
69.25747	3.2
70.06574	1.5
71.01341	0.4
71.04971	0.7
72.08149	0.5
72.93781	0.5
73.02890	1.5
78.04704	2.8
79.05495	2.4
81.03426	4.2
81.07034	1.0
82.00566	0.5
82.04169	1.7
83.04964	0.4
84.08126	0.8
85.02908	12.5
86.09692	0.7
87.04448	1.3
88.19151	0.4
88.59488	0.4
91.05484	6.6
93.03380	1.5
93.07040	0.4
94.04173	0.5
95.04956	1.3
97.02891	6.1
97.06506	1.4
99.04433	0.8
99.41181	0.4
103.05465	3.7
105.06995	0.9
105.98672	0.4
106.04150	1.6
107.04955	4.1
108.02116	0.6
109.02863	1.5
109.06525	0.5
110.03673	1.9
111.04427	0.7
111.89603	0.4
115.03925	0.4
115.05450	6.0
117.06242	0.6
117.07023	8.6
119.04948	6.2
119.08572	0.9
120.08026	0.5
121.06475	0.9
122.03613	1.5
123.04440	7.3
124.05250	2.4
125.06001	2.2
127.03952	2.0
127.05412	1.4
128.06204	0.5
129.06978	1.0
131.04073	0.4
131.04935	4.8
133.02855	2.3
133.06491	0.9
135.04373	0.9
137.05992	11.0
138.03088	1.2
142.02631	1.9
143.04922	0.7
144.05704	0.8
145.06494	12.2
145.07655	0.7
147.04430	7.7
147.08025	1.6
149.06003	0.6
151.03914	2.1
151.07565	2.0
152.04691	2.4
153.05466	1.8
155.04932	0.7
155.06029	4.7
155.07143	0.6
159.04422	0.6
160.05194	1.1
160.82135	0.4
161.05954	1.5
163.07547	3.3
165.05486	1.6
165.06802	0.4
167.07047	100.0
168.07376	0.9
171.06520	2.6
173.05995	23.2
174.06519	0.6
175.07588	3.4
176.04649	0.5
177.05507	0.7
179.07027	3.4
181.04962	79.9
182.05293	1.2
184.89525	0.4
187.07373	0.5
188.04703	0.9
189.05469	1.0
190.06288	0.5
191.07014	1.4
193.08646	0.6
194.07262	0.5
195.06540	0.6
201.05496	1.5
203.07051	4.4
205.06773	0.4
205.08618	7.6
207.06519	0.6
207.10075	0.5
213.05423	0.9
219.06271	1.8
219.08298	0.8
220.07205	0.7
221.06192	0.7
221.08014	1.9
222.06720	0.9
223.07487	0.7
225.09717	1.7
227.03787	0.7
231.06581	1.4
233.05870	0.9
233.08069	9.1
234.06703	0.7
235.07430	0.6
235.09637	7.5
236.08232	0.6
237.09100	0.8
239.03719	0.7
239.06984	0.4
241.08888	0.4
243.10847	1.9
245.08110	0.6
247.07568	0.6
250.06264	1.2
251.06982	1.0
254.09465	0.5
257.04733	5.5
263.06866	0.7
264.07895	1.1
265.08521	1.8
267.06656	0.7
267.10468	0.8
269.11697	0.5
275.06180	0.5
280.06952	0.5
281.07941	0.5
282.08875	0.7
283.09698	1.0
285.11847	1.7
293.08151	1.6
294.08920	0.6
295.05966	0.8
295.09317	0.6
296.10538	0.5
297.11142	2.3
298.12128	0.7
299.05786	3.4
299.09131	1.0
299.12491	0.4
304.69116	0.5
307.09634	0.7
309.07794	0.6
310.08215	2.4
311.09225	0.6
317.06726	3.7
318.06909	0.9
319.07327	0.9
325.10669	2.5
326.11508	1.6
327.08456	1.0
327.12177	0.8
329.13922	0.9
337.10361	0.7
339.12402	0.6
342.11017	1.0
353.10150	1.6
354.10968	0.5
355.11765	0.6
356.12762	0.6
357.13272	9.3
365.10068	0.7
367.11823	0.8
370.10434	0.5
371.11343	0.5
383.11478	0.4
385.12845	32.4
386.13583	1.6
387.07260	0.7
387.14465	7.1
397.12787	0.9
399.14542	1.0
403.13937	8.9
415.07330	1.1
415.13806	7.8
416.14423	0.9
417.15469	22.5
515.17114	1.1
516.23322	0.5
535.19226	0.6
547.20087	0.6
559.17999	0.5
565.20477	2.1
577.19226	3.7
595.21204	4.5
613.22821	3.6
757.27118	0.6
758.24316	0.5
775.28070	50.3
776.28326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
55.05513	19.1
57.03165	0.8
57.03443	15.3
57.07066	2.5
59.04957	0.9
61.02938	0.9
65.03934	2.1
67.05510	50.5
69.03425	2.5
69.07066	10.5
69.32233	4.7
69.32642	2.1
71.04994	4.2
79.05025	1.4
79.05495	34.5
81.03423	73.3
81.07062	46.9
83.04980	4.0
83.08624	22.1
85.06532	2.5
91.05484	29.2
93.07047	34.8
93.07646	1.5
95.04974	23.3
95.08611	38.4
97.02878	2.9
97.06528	3.3
97.10181	7.0
99.08082	1.2
102.69273	0.8
105.07040	23.2
107.04958	5.4
107.08606	21.1
109.06535	3.8
109.10165	18.0
111.04434	1.4
111.08099	6.3
115.05445	0.9
117.07017	5.2
119.04942	0.8
119.08583	20.8
121.06518	3.2
121.09339	1.3
121.10152	19.1
123.04427	1.8
123.08077	2.9
123.11725	6.8
125.09652	4.9
129.07018	10.1
131.08572	17.4
133.06490	3.0
133.09242	1.2
133.10149	13.1
135.08054	2.4
135.11693	10.7
137.09648	3.4
137.13246	1.9
142.07802	1.9
143.08603	2.0
145.10118	8.3
147.08051	3.1
147.11691	13.6
149.09651	5.3
149.13272	6.3
152.19548	0.8
155.08528	1.2
157.10141	11.3
159.11722	7.2
161.09639	0.9
161.13237	3.9
163.11215	2.9
163.14856	4.1
165.12776	2.5
169.10143	1.6
171.11638	1.9
173.09674	0.9
173.13243	4.0
175.11198	8.4
175.14792	1.7
177.16371	1.4
178.04524	0.7
183.11757	1.3
184.07335	2.4
185.13248	2.3
187.14833	1.7
189.11134	2.9
189.12697	1.2
189.16374	1.2
193.10487	1.1
193.12251	20.2
197.13367	1.2
199.14876	1.1
201.16461	1.3
207.14014	0.8
211.13223	1.9
227.12775	7.5
233.15593	1.1
243.15854	1.2
243.21153	4.2
249.14871	2.0
259.13345	1.7
261.22171	17.4
267.15927	100.0
268.16272	1.5
271.87677	0.8
281.21097	1.2
293.21057	0.8
301.14401	1.8
301.25409	5.2
309.16858	2.5
317.24744	3.5
333.24353	1.0
335.25824	72.4
336.25977	1.3
343.22348	0.8
357.27911	0.8
399.44965	0.8
417.26605	1.7
417.31622	0.9
421.25650	3.3
435.27191	2.2
435.32675	3.1
449.28629	1.1
453.33466	8.1
471.34509	4.7
489.35419	1.0
491.35318	1.1
501.35980	1.0
509.36264	3.1
527.37378	62.6
528.37531	1.9
545.38397	59.2
546.38544	1.7
559.39545	2.0
569.38434	3.5
577.41205	1.4
587.38037	1.0
596.80164	0.9
623.38977	0.9
635.39703	1.1
671.41510	1.2
734.04565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
55.05311	1.3
55.05515	12.7
57.03442	11.8
61.02907	1.8
67.05513	35.3
69.03422	2.9
69.07069	8.2
71.04959	2.1
71.53298	1.7
79.05075	2.3
79.05499	35.8
81.03428	50.0
81.06597	2.0
81.07061	34.0
81.41862	1.4
83.04963	3.8
83.08630	15.2
85.02893	3.2
85.06570	2.3
86.09692	2.1
91.05489	24.6
93.06483	2.8
93.07047	36.6
94.42545	1.3
95.04979	15.0
95.08614	22.0
97.02913	3.5
97.06566	1.8
97.10148	3.8
99.08086	2.4
105.07045	16.7
107.04937	4.6
107.08599	17.9
109.06524	3.5
109.10149	12.1
111.08070	5.6
115.05391	1.5
117.07000	4.7
119.08597	15.3
121.06493	1.8
121.10149	21.0
123.08015	2.6
123.11686	4.8
125.00024	2.7
125.09649	3.8
129.06964	5.9
131.08562	15.2
133.06506	1.8
133.10129	13.1
135.11684	20.5
137.09650	1.6
143.08545	3.4
145.10156	9.7
147.07970	1.8
147.11687	8.4
149.09610	5.9
149.13272	7.2
151.11197	2.7
155.08568	1.7
157.10106	5.5
159.11725	7.8
161.13225	3.9
163.11208	2.9
171.11621	2.4
173.13274	5.2
175.11151	5.1
175.14832	1.6
177.12730	1.8
184.07343	9.8
187.14786	2.6
189.11275	1.8
193.12234	16.4
205.19521	1.7
215.17979	22.0
227.12869	4.1
233.19057	26.4
249.14906	2.2
251.20160	2.2
255.21156	2.1
257.19003	1.7
267.15933	100.0
273.22220	3.1
279.75601	1.7
285.16849	1.9
289.21667	1.9
307.22693	76.9
309.17123	2.1
335.25793	4.2
379.40225	1.4
389.22986	2.0
407.24420	1.7
407.29385	4.1
425.30399	4.0
443.31583	4.0
499.34198	58.5
517.35352	49.0
527.37390	2.1
541.35291	3.2
549.38141	1.9
559.36151	2.0
643.37793	2.0
724.47040	1.7
756.47992	1.8
774.48145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
55.05514	18.7
57.03439	15.5
57.07074	1.1
57.26660	1.1
58.24605	1.1
59.04994	1.1
63.88285	1.0
65.03938	3.3
67.05508	60.6
69.03415	3.6
69.07069	14.8
69.67498	5.9
71.04998	4.9
73.03498	1.1
73.87760	1.0
77.03957	1.4
79.05016	1.2
79.05495	39.7
81.03421	79.6
81.07059	55.8
83.04996	5.4
83.08623	22.5
85.02917	1.4
85.06509	2.8
91.05486	33.0
93.07049	46.7
93.07643	2.2
95.04972	28.0
95.08611	43.6
97.02892	2.4
97.06507	4.0
97.10159	6.6
99.08076	1.4
103.05498	1.2
105.04507	1.6
105.07040	26.0
107.04947	7.9
107.08603	27.9
109.02866	1.3
109.06514	4.0
109.10160	17.6
111.04454	2.3
111.08082	6.4
115.05447	1.9
117.07015	7.5
119.04995	1.1
119.08578	22.0
121.06519	4.7
121.10148	22.6
123.04364	1.5
123.08082	1.5
123.11712	8.6
125.09644	3.4
129.07025	9.1
131.08583	18.4
133.06506	4.1
133.10162	12.7
134.88301	1.1
135.08043	1.3
135.11699	12.6
137.09621	3.2
137.13264	1.3
137.35771	1.1
142.07779	2.0
143.08522	2.7
145.10117	8.9
147.08087	3.6
147.11710	15.4
149.09648	3.7
149.13278	6.5
157.10135	11.3
159.11682	7.1
161.13278	5.9
163.11192	2.2
163.14830	4.5
165.12711	2.9
171.10271	1.5
171.11736	3.1
173.13251	8.2
175.11188	7.1
175.14793	1.7
177.12823	1.2
177.16307	1.8
179.14244	1.1
183.37019	1.2
185.13280	2.1
187.14778	2.3
189.11234	2.0
193.12244	21.9
195.13699	1.0
201.16379	1.6
211.13231	2.0
215.17953	1.6
227.12848	7.4
233.22536	1.2
235.13368	2.3
243.15851	1.1
243.21008	5.4
259.13309	1.2
261.22162	21.4
267.15927	100.0
268.16217	1.4
278.31607	1.1
295.22592	1.3
298.78961	1.3
299.23694	2.1
301.25195	6.3
309.17093	2.4
317.24750	4.5
330.04675	1.2
335.25815	99.1
336.26172	2.5
403.24585	1.2
417.31876	2.4
421.25864	3.0
426.90405	1.3
435.27466	2.4
435.32590	6.6
449.29230	1.6
453.33591	9.0
454.90057	1.3
471.34790	5.4
509.36151	1.5
527.37354	72.1
528.37524	2.4
545.38385	62.5
546.38580	1.7
559.39929	1.9
569.38342	5.9
623.39148	1.8
635.39032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	18.0
55.05516	53.5
57.03441	26.9
61.02918	6.6
65.03926	8.2
67.05509	89.7
69.03421	15.0
69.06730	3.4
69.07076	44.6
70.10183	8.0
71.04983	10.4
73.02904	2.8
77.03920	4.5
79.05498	89.3
81.03426	99.8
81.06604	4.9
81.07064	96.1
82.03757	2.7
83.04982	31.6
83.08621	48.9
85.02910	41.5
85.03390	4.8
85.06531	7.2
91.03936	4.3
91.05488	100.0
93.06491	4.7
93.07051	80.6
95.04984	49.3
95.08612	48.2
97.02898	12.1
97.06546	25.0
97.10188	21.7
99.08096	3.0
103.05501	3.0
105.07040	77.4
107.04958	21.3
107.08610	61.7
109.02878	3.6
109.06551	14.1
109.10162	22.1
111.04458	6.3
111.08081	21.4
113.06005	3.8
115.05443	6.7
117.07027	20.5
117.47298	2.2
119.08591	61.6
121.06493	9.7
121.07280	2.2
121.10146	35.6
123.04381	2.5
123.08063	7.6
123.11710	4.1
125.09618	20.4
127.03903	2.9
128.06189	2.7
129.07025	24.2
131.08578	37.4
133.06512	7.3
133.10141	37.9
135.08038	8.3
135.11688	11.5
137.09607	7.0
139.07515	2.6
141.06975	3.0
142.07741	4.0
143.08559	7.4
145.10124	29.5
147.08063	7.5
147.11702	35.7
147.73242	2.4
149.09645	27.9
149.13258	7.6
153.09132	2.1
155.08534	5.7
157.10133	26.1
159.11678	11.4
161.09660	4.2
161.13261	5.6
163.11201	13.0
165.12746	7.8
169.10161	4.7
171.10194	4.2
171.11673	5.7
173.13232	8.1
175.11179	21.4
177.12723	4.8
179.14388	4.8
183.11638	4.5
184.07339	5.4
185.13324	4.2
189.11249	12.5
193.12270	61.6
195.67003	2.5
197.13281	4.6
211.13293	91.6
227.12790	29.0
229.14293	5.3
229.19534	3.3
239.17844	4.3
247.20505	3.0
255.15855	5.3
257.19058	15.3
267.13379	3.9
267.15930	46.7
269.17447	17.8
275.17294	4.2
275.20074	48.7
285.16983	91.5
289.93460	2.6
291.19629	3.9
293.21225	4.8
318.93338	2.7
331.22754	5.3
349.23727	61.3
367.24976	3.4
437.25351	3.7
439.26935	4.2
445.29279	3.0
447.27426	11.3
449.30338	2.8
452.76685	2.5
455.26300	8.3
461.28961	21.2
463.30463	3.0
465.28433	10.0
479.30078	50.3
523.33887	2.8
541.35321	35.2
559.36298	79.3
577.37329	13.2
651.31946	2.5
758.71338	2.5
797.73328	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2138
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
55.01843	0.2
55.94053	0.1
57.03413	0.5
61.02930	4.1
68.99779	0.3
69.03432	1.7
70.06565	0.4
70.38235	0.5
71.04959	0.2
73.02915	1.6
81.03416	0.8
85.02908	9.1
87.04457	0.2
87.58369	0.1
91.03432	0.2
91.03956	3.0
97.02899	3.7
99.04427	0.4
105.03364	0.2
106.96709	0.1
107.04953	0.2
109.02830	0.6
111.00774	0.5
115.03908	0.3
121.02869	1.8
122.35120	0.1
127.03928	1.6
133.02827	0.3
135.04391	0.1
137.02312	0.4
143.59598	0.1
145.04967	2.2
147.04388	0.5
147.07607	0.2
150.47197	0.1
153.00616	0.1
153.01831	2.0
163.06007	1.1
165.01839	1.2
169.42949	0.1
183.02902	0.5
185.05966	0.3
189.05431	0.2
197.05957	0.2
213.05458	0.9
231.06537	0.4
241.04926	0.7
243.06572	0.1
258.05225	0.5
259.06064	0.3
276.26285	0.1
287.05502	100.0
288.05823	1.7
299.05496	0.2
303.05060	0.2
329.06412	0.4
353.06641	0.2
431.09485	0.2
435.07269	0.2
449.10822	20.4
450.11118	0.5
477.08136	0.5
720.70892	0.1
758.53546	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67153	2.1
55.01864	4.8
55.05266	3.2
55.05513	30.3
55.56119	2.2
57.03436	17.3
57.07074	6.5
57.56072	2.4
59.50707	2.0
61.02923	11.9
65.03934	6.7
67.05508	93.0
69.03425	7.7
69.07075	27.1
69.22092	24.5
71.04990	5.2
73.02913	5.7
79.05497	68.9
81.03411	6.6
81.07056	83.3
83.04964	4.5
83.08620	18.1
85.02895	10.9
85.06544	4.6
86.09675	4.1
91.03951	5.0
91.05488	64.8
93.06492	4.6
93.07053	79.5
95.04961	8.3
95.08609	65.7
97.02900	11.1
97.06524	7.6
97.10157	5.6
97.11350	2.2
98.21543	4.5
99.08089	5.1
103.05432	3.7
105.07034	64.1
107.08603	51.1
109.02885	2.7
109.10162	21.5
111.08099	3.4
115.05444	3.3
117.07033	23.4
119.08583	53.8
121.10153	36.9
123.11710	6.1
124.99951	4.0
125.09611	2.8
128.06235	3.6
129.07028	15.8
131.08566	35.8
133.10149	40.0
135.08037	3.3
135.11710	24.7
137.13260	2.5
141.06969	3.0
142.07887	3.0
143.08603	16.6
145.10126	32.4
147.11700	38.5
148.41307	2.2
149.13272	12.1
155.08545	6.4
157.10109	17.0
159.11682	31.5
161.13260	23.8
163.14792	5.5
169.10094	6.4
171.11688	19.1
173.13223	18.9
175.11157	4.6
175.14819	14.8
177.16400	3.2
181.10110	5.2
183.11693	6.3
184.07347	14.8
185.13251	13.4
187.14819	8.3
197.13269	7.0
199.14839	10.6
201.16333	4.1
202.43896	2.3
209.13133	3.3
211.14815	2.9
213.16379	3.3
217.19626	3.1
223.14812	4.1
231.21014	5.1
241.19542	24.3
243.21155	3.9
257.18982	6.3
259.20575	47.4
261.22113	8.9
271.20367	2.6
273.22037	4.3
275.20346	2.8
277.21469	2.9
301.21655	4.3
313.21445	3.4
315.23260	4.5
333.24213	36.5
335.25778	64.2
337.27451	4.3
351.25464	2.4
357.75098	3.1
367.22665	5.8
519.41724	4.2
593.45551	8.8
601.44458	3.9
611.46698	100.0
612.47278	3.4
634.71606	2.5
701.47528	5.2
737.49487	4.0
755.50580	4.3
773.52228	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.1
55.05518	33.7
57.03439	24.0
58.95890	2.3
59.76773	2.4
61.02906	3.6
64.98031	2.2
65.03922	5.2
67.05510	81.5
69.03437	12.1
69.07075	35.8
71.05006	12.2
79.05499	79.9
81.03423	92.5
81.07061	100.0
83.04986	24.9
83.08624	35.0
85.02918	25.7
85.06523	6.5
86.09702	4.0
91.03980	3.0
91.05489	84.7
93.07050	66.9
95.04977	45.0
95.08050	4.2
95.08611	41.0
97.02930	12.1
97.03445	2.6
97.06526	17.2
97.10164	14.0
99.08113	4.5
103.05492	3.2
105.07041	55.9
107.04964	16.9
107.08604	52.0
109.02872	3.0
109.06510	9.0
109.10152	14.3
111.04462	3.4
111.08092	16.1
113.06055	3.0
115.05495	4.2
117.07020	18.5
119.08595	46.8
121.06501	10.5
121.10151	24.4
123.08072	9.0
123.11674	4.2
125.00058	2.8
125.09666	13.1
127.03933	3.0
129.05513	3.6
129.07001	19.0
130.07706	3.0
131.08577	31.8
133.06453	4.7
133.10147	35.7
135.08055	3.7
135.11719	13.5
137.09631	6.4
142.07834	4.6
143.08546	6.2
145.10135	18.9
146.41360	2.3
147.08049	9.9
147.11688	31.0
149.09625	17.8
149.13263	13.5
151.11151	3.8
155.08542	4.8
157.10164	22.1
159.11690	16.5
161.09601	5.0
161.13286	3.7
161.95064	2.5
163.03880	2.6
163.11151	14.6
165.12755	6.2
171.11690	6.6
173.04453	3.2
173.09691	3.5
173.13199	6.1
175.11186	14.1
175.14696	3.1
177.12743	4.3
183.11632	3.3
184.07364	8.8
185.13200	4.7
187.11249	2.9
187.14828	3.2
189.11250	4.7
193.12256	47.5
195.13806	7.5
211.13295	62.3
227.12718	6.2
233.18976	2.9
255.15889	12.3
257.18997	7.9
267.15955	46.8
269.17523	45.7
275.20114	28.8
283.15488	4.0
285.14056	4.7
285.16986	63.3
291.19479	3.0
293.21219	4.5
348.51706	2.5
349.23767	26.6
367.24500	5.0
413.21634	3.6
443.27805	6.1
447.27551	15.0
461.28989	43.4
465.28580	18.5
467.31619	3.2
479.30096	88.1
499.30344	3.2
541.35388	27.5
559.36389	36.6
577.37189	9.2
676.95752	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	772.549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13288	0.3
56.05005	1.1
57.07060	0.4
58.06589	0.7
60.08167	7.0
61.37947	0.3
67.05508	0.5
70.06580	0.4
71.07378	4.3
71.08596	0.3
71.52770	0.4
79.05483	0.3
81.07043	0.6
82.79491	0.3
86.09711	37.2
91.05487	0.4
98.98460	3.7
104.10754	3.0
125.00010	22.9
143.01065	0.4
163.38310	0.3
184.07349	100.0
185.07684	0.6
245.39735	0.3
251.01259	0.3
279.35550	0.4
283.73309	0.3
344.19449	0.3
432.77652	0.3
497.17773	0.3
507.40930	0.3
589.48431	0.3
754.53394	0.4
772.54883	10.8
773.55115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2135
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
55.01868	0.2
57.03442	2.1
59.05003	0.5
59.05274	0.1
59.49991	0.1
61.02931	2.3
65.03947	0.2
69.03432	8.2
69.89986	0.2
69.90387	0.3
71.01350	0.2
71.04983	0.1
71.19379	0.1
73.02924	1.1
75.04476	0.1
75.58310	0.1
81.03427	0.7
83.01347	0.1
85.02910	8.2
87.04475	4.8
91.03960	2.2
92.13866	0.1
93.03417	0.2
94.04574	0.1
95.04955	0.4
97.02895	7.6
99.04482	0.4
101.02352	0.1
103.03926	0.2
106.41930	0.1
107.04931	0.1
109.02902	0.5
111.04451	0.1
115.03936	7.2
121.02898	0.7
123.04421	0.9
124.01566	0.3
125.02356	0.4
125.06007	0.1
127.03923	1.4
133.04973	7.9
135.04425	0.1
137.02339	2.0
139.03915	0.3
141.05469	0.2
145.02896	0.1
145.04955	2.2
149.02341	0.3
151.03934	0.7
155.04897	0.1
155.42812	0.1
163.03969	0.5
163.06018	1.7
167.03415	2.7
169.04970	0.2
179.03398	1.5
180.04253	0.2
183.04433	0.2
184.05118	0.1
187.03990	0.1
187.05975	0.1
187.07527	0.2
191.03412	0.1
197.04454	0.7
200.04689	0.3
201.05585	0.1
209.04430	0.2
215.07079	1.0
219.02960	0.1
219.06525	0.1
227.07199	0.1
228.04192	0.4
229.07045	0.1
233.08066	0.2
241.07176	0.2
242.05692	0.1
243.06540	3.0
256.03696	0.2
257.04391	0.1
259.08200	0.4
261.07468	0.6
271.06021	1.7
273.03879	0.2
274.04733	2.2
277.09155	0.4
288.06287	0.6
289.06879	0.2
295.10324	0.5
299.05521	0.8
302.04236	2.0
317.06564	100.0
318.06906	2.0
329.06659	0.6
355.08276	0.3
359.07629	0.9
383.07315	0.4
413.08511	0.2
425.08777	0.2
425.81067	0.1
443.09836	0.4
449.10583	0.3
461.10742	0.3
479.11829	0.6
665.22418	0.1
804.65186	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01661	2.1
55.01879	19.8
55.05519	54.2
55.05790	2.7
57.03443	27.0
57.07072	2.8
59.04995	5.2
60.17463	1.6
61.02923	5.5
62.12277	1.7
63.88528	1.6
64.60141	1.7
65.03940	5.3
67.05514	83.1
69.03434	15.2
69.07075	52.8
71.01334	1.9
71.05003	11.9
73.02927	2.8
79.05504	82.9
81.02944	2.5
81.03425	61.7
81.07064	87.8
83.01343	7.8
83.04991	31.3
83.08625	39.7
84.08150	2.1
85.02915	28.4
85.06539	5.1
87.04479	1.8
87.21420	1.6
91.03965	3.3
91.04903	2.7
91.05490	68.3
93.07056	79.9
95.04972	34.1
95.08618	40.8
97.02910	17.1
97.06532	19.8
97.10184	26.6
99.04443	5.1
99.08104	3.4
103.05471	4.0
105.04544	1.8
105.07046	54.3
107.04969	25.4
107.07881	2.7
107.08603	54.5
109.02893	2.9
109.06539	15.9
109.10171	22.2
111.04442	4.0
111.08077	14.5
113.06017	3.3
115.05495	3.3
117.07032	25.2
118.98322	1.8
119.04973	2.6
119.08591	46.5
121.06519	14.4
121.10157	24.9
123.04395	3.0
123.08085	14.6
123.11719	4.0
125.06010	2.9
125.09666	19.9
127.03870	2.7
129.07021	13.4
130.07736	2.3
131.08591	28.8
133.06509	5.0
133.10147	32.0
135.08086	12.3
135.11717	21.1
137.09613	4.4
137.13354	2.0
139.11252	2.2
141.06989	2.9
142.07692	2.0
143.08588	6.1
145.06502	3.3
145.10144	34.4
147.08083	9.8
147.11696	23.3
149.09625	19.7
149.13283	6.9
151.11194	6.0
153.09135	1.8
153.12772	2.9
155.08572	5.2
157.10150	17.1
159.08128	3.0
159.11728	13.7
161.09601	4.5
161.13297	2.6
163.11211	35.1
165.12788	4.2
169.10136	4.6
171.10217	3.6
171.11635	4.4
173.04541	2.4
173.09639	4.0
173.13271	5.2
175.11241	14.9
177.12840	4.2
179.14421	2.4
181.12253	3.6
183.11713	3.6
184.07362	2.1
187.11211	2.4
189.09586	1.6
189.11200	9.6
191.10721	3.4
193.12280	29.4
195.11841	2.0
195.13818	6.2
197.13219	2.0
205.12175	3.9
209.11774	7.3
211.13306	49.9
223.13301	14.7
227.12784	36.4
229.14401	2.6
233.15417	2.5
239.18004	5.1
245.13956	2.8
247.20567	2.3
249.14885	4.2
253.14449	3.1
255.15779	2.9
257.18954	9.1
259.20502	3.0
267.15942	27.3
269.17499	14.1
273.18533	15.5
275.20117	33.8
283.15411	87.3
285.17007	50.6
285.20163	2.6
291.19577	100.0
293.21100	2.2
331.22742	3.9
347.22330	3.2
349.23801	34.2
352.46213	1.9
365.23273	50.6
367.25027	2.5
379.21457	2.3
437.25348	4.0
445.26056	2.0
453.24954	7.9
459.27539	2.1
461.28989	5.0
463.26752	12.5
477.28568	55.3
494.10129	2.1
495.29633	2.7
539.33954	9.7
557.34796	92.3
558.35022	2.7
575.35834	85.5
576.36334	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	19.7
55.05515	39.5
57.03443	23.3
59.06667	3.0
61.02919	7.3
65.03943	4.3
67.05506	90.2
69.03422	12.4
69.07071	48.6
70.09895	9.8
70.10278	6.4
71.04985	9.9
79.05495	83.5
81.03425	66.8
81.06594	5.2
81.07062	100.0
83.01343	5.2
83.04976	30.5
83.08626	42.5
85.02898	21.4
85.06535	5.8
91.05482	86.9
93.07047	74.8
93.07629	3.9
95.04971	34.9
95.08611	51.6
97.02913	16.6
97.06534	19.1
97.10182	19.3
99.04434	7.3
99.08096	4.6
105.07037	57.9
107.04933	25.5
107.08601	60.4
109.06525	22.6
109.10172	33.8
111.04453	4.9
111.08072	9.4
115.05438	6.8
117.07026	20.8
119.04860	4.0
119.08595	51.8
121.06515	14.7
121.10160	26.9
123.08073	12.1
123.11712	6.5
125.09639	15.5
127.03902	4.7
129.07001	12.9
130.07819	3.2
131.08568	33.0
133.06467	4.9
133.10144	45.2
135.08047	12.1
135.11694	25.6
137.05937	3.9
137.09615	5.2
140.68582	3.1
141.06964	3.8
142.07732	4.8
143.08562	9.3
145.06439	4.2
145.10138	34.5
147.08026	9.4
147.11696	22.7
149.09636	24.9
149.13243	8.4
151.11154	10.7
153.12755	3.8
157.10149	11.9
159.11699	10.2
161.09612	6.1
161.13316	5.3
163.11186	38.3
169.10130	3.8
171.11659	5.6
173.09590	6.4
173.13319	4.3
175.11179	13.5
177.12756	4.5
181.12213	7.7
183.11624	3.3
184.07391	5.4
189.11224	7.9
192.22644	2.7
193.12263	25.3
195.13976	3.0
209.11723	7.6
211.13249	29.3
218.93097	3.3
223.13211	7.2
227.12813	37.2
228.30858	3.7
229.14343	4.7
239.17882	4.1
253.14357	31.7
255.15781	5.8
257.19116	7.6
267.15958	23.4
269.17480	12.6
273.18427	17.1
275.20047	36.7
283.15411	97.3
285.16983	33.3
291.19540	60.9
293.21033	3.3
349.23819	32.3
365.23260	37.6
367.24881	3.8
378.49255	3.1
437.25262	4.8
453.24908	8.7
463.26935	19.9
477.28445	56.4
539.33606	10.6
557.34772	93.8
575.35870	73.8
647.35046	3.6
678.43536	3.6
698.57361	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	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01443	0.4
55.01741	0.9
55.02018	0.8
55.05373	5.3
55.05681	3.8
57.03297	2.1
57.03616	1.3
57.06950	1.1
57.07240	0.9
61.02777	7.7
61.03134	4.2
65.03806	0.9
65.04123	0.7
67.05348	12.8
67.05755	6.1
67.06000	0.6
69.03272	5.9
69.03696	2.4
69.06909	5.7
69.07334	2.5
69.16325	3.4
69.46022	0.3
71.01226	0.6
71.04834	1.1
73.02750	5.3
73.03217	2.1
75.04317	0.4
79.05318	11.0
79.05837	3.4
81.03242	2.6
81.03757	0.6
81.06880	13.8
81.07418	4.2
83.04833	0.9
83.05246	0.5
83.08436	3.4
83.08984	1.2
85.02723	8.1
85.03303	2.0
85.06382	0.9
85.06846	0.5
91.03768	5.2
91.04414	1.2
91.05286	9.7
91.05926	2.1
93.06857	12.9
93.07515	2.8
95.04784	1.5
95.08412	14.4
95.09093	3.1
97.02700	8.9
97.03399	1.7
97.06345	1.5
97.09972	2.7
99.04305	1.0
99.04872	0.4
99.07940	0.6
99.08530	0.4
101.02178	1.5
103.05322	0.6
105.06826	10.2
105.07615	1.7
105.56069	0.4
107.04781	0.6
107.08387	8.4
107.09194	1.4
109.02741	0.8
109.06395	0.7
109.09953	6.7
109.10751	1.1
111.07853	1.2
115.03749	1.0
115.05347	0.8
117.06799	7.9
119.08367	10.7
119.09306	1.5
121.09921	5.4
121.10863	0.6
123.07895	0.9
123.11477	1.9
125.09494	0.7
127.03707	2.5
128.06013	2.2
129.06784	8.1
129.07808	0.9
130.07587	0.9
131.08339	9.6
131.09393	0.9
132.27660	0.3
133.09906	7.2
133.10988	0.7
135.07825	0.6
135.11464	3.5
137.09425	0.3
137.13055	0.8
139.10966	0.5
141.06749	4.3
142.07536	2.0
143.08324	10.5
143.09540	1.0
144.09171	0.6
145.04712	0.6
145.09883	11.3
145.11145	1.1
147.11446	5.6
147.12698	0.5
149.09450	0.6
149.13010	1.6
152.06055	0.4
153.06747	1.3
154.07640	0.8
155.08316	8.3
156.09148	0.8
157.09880	11.0
159.07903	0.5
159.11450	7.7
161.13022	2.6
163.11043	0.5
165.06801	1.1
166.07599	0.4
167.08563	4.0
168.09181	0.9
169.10129	10.1
169.11426	0.5
170.10667	0.8
171.07849	0.5
171.11678	9.4
171.13838	0.4
172.12189	0.5
173.13257	4.6
175.10947	0.5
175.14578	1.4
177.12563	0.5
179.08292	1.4
179.14093	0.4
180.09174	0.9
181.10130	6.1
182.10703	0.8
183.11700	10.2
184.12273	0.6
185.13249	7.2
187.14801	2.6
189.16199	1.1
191.75528	0.4
193.10167	2.8
193.11714	0.8
194.10706	0.6
195.11690	6.4
196.12257	0.6
197.13255	8.4
198.13693	0.6
199.13000	0.7
199.14836	4.2
201.16121	1.6
205.10001	0.9
206.10489	0.4
207.11699	3.1
208.12253	0.8
209.13255	5.8
210.13795	0.5
211.14822	5.7
213.16486	2.5
215.17891	0.6
217.09912	0.5
219.11568	0.7
220.12352	0.4
221.13289	2.1
223.14838	4.1
225.16400	3.5
227.17699	2.1
229.19394	0.6
233.13043	1.0
235.14583	1.6
237.16380	2.9
239.17979	2.4
241.19365	1.2
247.14758	0.8
249.16302	2.0
251.17734	1.6
253.19312	1.2
255.21043	0.4
257.18875	0.7
261.16125	0.7
261.21976	0.5
263.17703	0.8
265.19260	1.6
267.20996	0.7
271.20377	0.7
279.17050	0.6
279.20755	0.7
281.22495	0.4
285.21844	0.5
291.20981	0.5
293.22357	0.7
297.21854	0.5
299.19904	0.4
307.20285	0.5
309.21909	0.6
311.23380	0.6
313.21268	0.6
319.24170	0.5
321.21835	1.4
323.23441	1.2
325.25156	0.5
335.23294	0.7
337.25058	1.7
339.26706	0.6
351.26663	1.1
353.24408	0.6
361.24985	0.6
363.26611	0.7
365.28546	0.5
377.28305	0.8
379.29767	1.2
381.28159	0.5
403.29535	0.5
407.29050	0.7
421.30524	0.6
429.30963	0.6
433.29730	0.6
435.32504	0.5
447.32248	1.1
461.33328	0.4
465.33575	0.5
473.32224	0.5
475.34714	1.0
487.34137	0.6
499.39734	1.0
501.34988	0.6
503.35751	0.4
513.35809	0.6
515.37286	0.5
517.40607	4.9
525.35693	0.6
527.37244	1.0
535.41687	2.9
539.37262	2.6
540.38300	0.6
541.38971	1.3
545.38000	2.7
553.39490	0.6
567.40552	0.5
591.44153	7.3
607.43738	1.8
609.45135	100.0
610.45520	4.4
611.46759	0.7
621.45270	1.2
651.46997	0.6
657.45856	0.5
675.45721	0.5
699.45160	0.5
717.47705	0.9
735.48425	1.7
753.49384	2.3
771.50580	23.1
772.51056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01825	1.5
55.05430	7.9
55.05723	1.9
57.03348	3.9
57.07026	1.2
61.02837	11.3
61.03176	1.9
65.03887	1.6
67.05413	17.3
67.05807	2.3
68.32691	0.6
69.03337	5.8
69.06977	8.5
69.07378	0.7
71.01271	1.0
71.04906	1.9
71.08558	0.8
71.52367	0.9
73.02816	5.8
77.03857	0.8
79.05391	15.4
81.03315	5.0
81.06956	19.4
81.07466	1.8
83.04881	2.0
83.08515	4.9
85.02800	9.8
85.06454	1.3
91.03853	5.7
91.05373	13.1
93.06937	15.2
95.04849	2.4
95.08497	16.7
97.02888	10.5
97.03460	1.6
97.06425	1.8
97.10058	2.4
99.04345	1.2
101.02324	1.1
105.06916	14.2
107.04891	1.3
107.08592	12.3
109.02805	1.1
109.06438	1.6
109.10165	7.6
111.07993	0.9
115.03869	0.8
115.05380	1.6
117.07023	7.6
119.08581	12.0
121.10134	7.1
123.07990	1.6
123.11594	2.0
125.09521	0.7
127.03786	2.7
128.06093	2.4
129.06995	8.9
131.08586	11.0
133.10138	8.5
135.07953	1.4
135.11679	4.4
137.09427	0.7
137.13150	0.8
141.07005	4.0
142.07614	2.4
143.08556	10.9
145.10146	11.7
147.08000	0.8
147.11673	5.1
149.02367	0.8
149.09512	1.4
149.13130	2.1
153.06932	1.3
154.07658	1.3
155.08562	9.1
156.09254	1.0
157.10130	11.1
159.07912	0.8
159.11703	6.8
161.13248	3.5
163.11075	0.7
163.14702	1.5
166.07712	0.8
167.08572	3.5
168.09213	1.4
169.10135	10.2
171.11693	9.1
173.13287	4.1
175.14687	1.8
177.12531	0.8
177.16298	0.7
179.08492	1.5
180.09261	1.0
181.10110	6.0
182.10677	1.4
183.11688	10.1
184.07233	1.6
185.13277	6.3
187.14693	3.1
193.09993	2.9
194.10841	1.3
195.11714	7.0
197.13272	9.5
199.14842	5.4
201.16316	1.2
205.10074	1.3
207.11609	3.1
208.12259	0.9
209.13269	6.0
211.14862	6.1
213.16452	3.4
217.15837	0.7
219.11661	1.0
221.13112	3.0
221.15062	1.1
223.14792	4.7
225.16225	2.7
227.17970	1.7
233.13280	1.1
235.14659	2.1
237.16434	3.5
239.17880	1.8
241.19547	1.5
247.14891	0.9
249.16177	1.1
251.17863	2.7
253.19437	1.4
255.21141	1.5
257.18909	0.8
261.16281	0.8
263.17996	0.9
265.19415	1.4
279.21140	0.9
283.20413	1.0
293.22513	0.9
309.22397	1.2
309.25671	0.8
313.21506	0.8
321.21921	0.9
323.23654	1.3
323.27130	0.9
335.25897	1.0
339.26700	1.3
349.25061	1.1
351.26794	1.2
353.24542	1.1
365.28552	1.4
391.29977	0.7
393.31720	0.9
447.32407	0.9
517.40582	5.9
527.37268	1.6
535.41357	3.5
539.37250	1.9
541.39282	2.0
545.38593	1.6
591.44122	7.3
607.43402	3.0
609.45135	100.0
610.45496	4.0
612.46991	1.3
621.44763	1.0
651.46130	1.8
717.47675	1.3
735.47980	1.7
753.49982	1.3
771.50427	24.5
785.08472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.03445	2.0
61.02944	5.6
67.05511	3.5
67.05845	1.0
69.03445	2.8
69.21872	8.3
70.14765	1.0
73.02927	4.7
79.05498	5.1
81.03411	1.4
81.07064	5.8
85.02905	6.5
91.03983	2.9
91.05512	2.5
93.07046	5.6
95.08620	3.9
97.02889	6.3
98.20727	2.0
99.04500	1.4
101.02402	2.0
105.07047	1.5
107.08616	3.0
107.91574	1.0
116.69054	1.3
119.08630	1.3
121.10159	2.2
127.03953	2.6
128.26952	1.1
131.08617	1.3
133.10060	1.3
135.11723	1.4
184.07368	1.8
243.08531	1.5
440.21814	1.3
449.37808	1.2
473.79819	1.1
491.26309	10.1
519.29541	3.7
589.48285	1.6
684.90887	1.1
769.48621	100.0
770.49188	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21531	1.7
55.01875	13.0
55.05271	2.1
55.05516	27.6
57.03453	12.3
59.31112	1.5
61.02922	1.9
65.03934	5.1
67.05511	84.9
69.03432	6.4
69.06730	2.7
69.07076	31.7
70.09883	1.8
70.10220	7.6
71.04984	6.6
71.85876	1.6
73.06560	3.2
79.05497	100.0
81.03430	18.9
81.07063	81.9
83.04989	19.3
83.08627	14.1
85.02896	5.2
85.06533	6.2
86.09696	2.7
91.05487	77.6
93.07053	92.0
95.04973	25.1
95.08617	46.1
97.02907	5.0
97.06536	22.7
97.10191	9.9
98.20895	2.3
99.04457	1.8
99.08032	1.7
103.05462	2.0
105.04532	4.7
105.07040	65.7
105.67324	1.8
107.04959	16.1
107.08603	43.0
109.02899	2.0
109.06520	7.7
109.10165	13.0
111.08086	3.4
115.05479	3.0
117.07024	22.2
119.08593	41.8
120.08093	2.6
121.06501	7.7
121.10155	15.1
123.08084	7.4
123.11626	1.8
125.09639	7.4
125.53455	1.8
127.03880	4.1
127.07533	1.9
128.06233	3.0
129.07022	20.4
130.07819	2.1
131.08574	20.7
133.06439	1.8
133.10147	29.6
135.08057	5.9
135.11696	13.2
135.23222	1.7
141.06960	3.8
143.08545	12.4
145.10149	22.3
147.08072	4.3
147.11691	37.8
149.09650	15.9
149.13234	8.7
151.11203	1.7
155.08557	2.5
156.09349	1.6
157.10118	2.3
159.08057	2.3
159.11703	11.0
161.09621	5.9
161.13242	12.6
163.11192	13.2
169.10133	3.4
171.10266	3.3
171.11702	31.4
173.04434	2.5
173.09599	1.9
173.13295	4.1
174.96616	1.7
175.11115	1.9
177.12752	4.7
179.14308	3.2
183.11789	3.6
185.13145	2.3
189.11285	1.7
189.12825	8.7
195.13765	2.0
207.13797	21.9
227.12788	14.0
229.19467	2.7
239.18083	2.7
253.14375	4.5
255.15892	5.0
257.18970	8.8
269.17435	12.3
275.20084	32.4
279.15814	2.0
281.17499	69.0
283.15341	3.4
349.23734	23.8
365.23337	3.1
367.24899	3.1
395.21234	1.7
435.27347	3.4
450.62564	1.7
451.26907	3.8
459.30786	2.8
461.28967	26.7
462.29468	1.9
475.30609	92.2
476.30655	3.3
491.30533	1.9
527.37402	2.9
537.35443	4.7
555.28162	2.6
555.36841	53.6
573.36487	6.1
619.34332	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	766.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89661	2.3
55.05318	2.2
55.05519	24.3
57.03439	15.6
57.07078	10.7
61.02927	3.9
64.07394	2.1
64.17878	2.1
67.05511	100.0
69.03450	2.8
69.07077	30.3
69.14987	21.2
71.04983	3.2
71.08626	3.4
78.74288	2.2
79.05064	3.7
79.05500	40.4
81.07063	91.4
83.04988	2.0
83.08640	15.6
85.02883	2.8
85.06570	3.7
91.05485	23.6
93.07052	53.1
95.04971	3.8
95.08615	69.3
97.06526	3.0
97.10169	7.6
98.21163	12.3
99.08100	4.4
100.71391	2.1
101.72237	2.1
105.07027	15.1
107.08607	27.8
109.09470	3.3
109.10168	34.9
111.08080	4.0
113.09691	2.2
117.07018	5.9
119.08581	20.0
121.10147	27.5
123.08082	2.3
123.11716	11.6
123.22710	2.6
127.11223	2.5
131.08572	10.1
133.10147	17.3
135.11696	24.9
137.13322	4.9
139.21869	2.4
145.10129	8.8
146.08125	3.5
147.11693	12.9
149.13274	9.6
151.14810	3.2
159.11699	7.1
161.13258	8.1
163.14839	3.9
173.13237	5.0
175.14854	6.0
184.07289	4.1
185.13322	2.7
189.16399	2.5
201.16628	2.3
215.17935	4.9
217.19650	10.3
217.21365	2.3
233.18898	4.4
235.20663	4.5
238.89941	2.4
243.21082	4.8
259.20691	4.0
261.22128	13.9
263.39212	2.4
265.16959	2.2
307.22565	4.1
309.24283	82.4
311.25842	8.2
333.24109	4.8
335.25842	89.5
337.27271	8.4
475.37735	2.7
495.41742	4.6
569.45691	34.7
587.46692	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	768.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72432	3.2
55.05505	10.3
57.03445	6.8
57.07064	12.7
67.05508	31.2
69.07058	8.5
69.61378	17.1
71.08618	9.8
74.09718	3.9
79.05493	22.2
81.03429	24.1
81.07062	25.6
83.04990	3.4
83.08612	11.3
85.10184	5.2
88.20270	2.6
91.05486	17.7
91.33465	3.0
93.07053	24.4
95.04971	6.7
95.08597	23.5
97.10158	5.9
98.21429	6.4
105.07043	12.2
107.08585	18.0
109.02840	3.5
109.10162	10.8
111.08033	2.8
119.08605	9.1
119.75625	2.6
120.66699	2.8
121.10155	11.4
123.08096	3.2
123.11671	4.5
129.51334	2.7
131.08568	5.8
133.10133	4.6
135.11676	20.6
142.46320	3.0
145.10165	14.2
147.11668	3.5
149.13229	5.0
157.10123	3.6
161.13242	3.3
163.11200	15.8
179.14339	5.0
184.07350	7.4
193.12239	5.9
213.43787	3.1
227.12782	48.9
261.22314	6.6
267.15869	16.2
268.16324	5.5
269.16531	4.7
277.21613	3.8
283.15378	64.7
313.27390	17.3
314.27734	10.4
335.25821	100.0
354.41623	3.2
505.38721	10.2
506.39099	6.5
507.39264	6.5
539.74707	3.5
543.36804	78.0
609.45135	14.2
627.45978	6.3
768.47443	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	765.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05506	1.6
57.03433	1.8
61.02930	5.6
67.05503	4.4
69.03439	2.7
69.07066	1.3
71.68665	0.5
73.02571	0.5
73.02924	3.0
79.05496	3.3
81.03420	3.4
81.07053	5.1
83.04993	1.0
83.08620	1.0
91.03985	3.2
91.05487	2.2
93.07053	4.9
95.04961	1.1
95.08599	3.3
97.02898	4.2
98.20770	1.5
99.04478	1.1
100.31008	0.5
101.02379	1.6
105.07050	2.0
107.08595	2.0
109.02884	1.4
109.10149	1.5
119.08563	1.7
121.09438	0.5
121.10159	3.4
123.11806	0.7
127.03909	1.3
129.06985	0.7
131.08583	0.8
133.10138	1.9
135.11665	1.1
137.09566	0.5
140.37900	0.5
145.10231	0.5
147.11714	0.9
149.09671	1.0
154.57494	0.5
180.04733	0.5
184.07358	1.5
185.04282	0.7
193.12340	0.7
243.08437	2.8
251.12715	0.6
264.32196	0.6
267.16058	0.7
269.13663	1.1
272.64124	0.6
276.65320	0.6
335.26193	0.8
443.19058	3.6
469.20786	2.0
487.21298	3.7
519.29266	9.2
552.95758	0.6
721.41162	1.6
747.42816	2.3
765.43970	100.0
766.43762	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	764.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05513	25.8
55.18604	1.3
57.03437	21.7
57.07063	4.9
61.02924	5.5
65.03934	3.9
65.51521	1.1
67.05506	100.0
67.23227	1.1
69.03419	2.7
69.07072	20.4
69.16254	10.8
71.04998	3.5
73.02887	2.8
77.03941	1.4
79.05495	75.4
81.03413	1.6
81.07057	94.6
83.04967	2.8
83.08210	1.4
83.08634	12.0
85.02895	3.9
85.06536	4.7
91.03969	1.3
91.05482	44.9
92.09161	1.1
93.07047	87.9
95.04975	5.7
95.08610	71.7
97.02921	3.0
97.06530	4.9
97.10159	5.6
99.08106	4.1
105.04535	2.4
105.07034	34.7
107.08598	39.9
109.06526	3.6
109.10159	37.4
111.08057	3.8
113.09695	1.8
117.07030	14.8
119.08582	28.6
121.10146	44.1
123.08083	3.1
123.11716	17.3
125.09625	2.7
126.97421	1.3
129.05466	1.2
129.07004	4.1
131.08569	25.0
133.10136	29.9
135.11699	31.5
137.09642	1.7
137.13266	3.6
143.08507	2.6
145.10118	20.5
147.11693	21.4
149.09630	1.5
149.13258	17.5
157.10124	4.4
159.11685	15.4
161.13269	10.0
163.11189	1.7
163.14789	4.8
169.10155	1.3
171.11729	6.6
173.13307	12.9
175.14844	4.6
177.16483	1.4
179.14241	1.5
185.13286	3.1
187.14847	5.9
189.16412	3.1
201.16600	2.1
203.17987	3.2
205.19508	3.0
211.14914	2.0
213.16463	6.1
215.17966	21.8
217.19482	2.6
227.18013	1.3
231.17456	7.0
233.19022	19.3
233.22565	1.4
235.20598	1.7
241.19510	3.6
243.21152	4.1
259.20551	4.8
261.22150	15.2
289.21582	1.5
305.21109	4.7
307.22678	94.9
308.23019	2.3
309.24307	8.7
317.24759	3.4
333.24167	5.4
335.25812	92.3
336.26102	1.5
337.27283	7.9
493.40155	4.1
511.41058	1.7
558.97516	1.6
567.44049	28.9
585.45215	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01868	6.4
55.05516	17.9
57.03446	10.5
61.02927	4.6
65.03943	2.0
67.05511	49.6
67.05882	2.6
69.03414	4.6
69.07076	29.3
69.85268	7.2
71.05000	13.0
71.07366	1.7
73.02925	2.1
79.05499	53.7
81.03424	60.6
81.07063	44.3
83.04983	5.9
83.08636	8.8
85.02905	4.4
85.06524	2.8
86.09711	6.7
91.04911	2.0
91.05486	47.0
93.07050	55.8
95.04975	8.2
95.08614	71.3
97.02914	4.1
97.06551	10.4
97.10177	4.7
99.08089	2.9
103.05479	1.5
105.07034	32.6
107.04964	4.2
107.08607	24.5
109.06544	4.8
109.10174	14.4
111.08076	2.4
113.09687	1.8
117.07037	17.2
119.08593	32.9
121.06514	7.9
121.10159	23.5
123.08077	13.6
125.00005	6.0
125.06002	2.5
125.09621	4.0
127.03941	2.2
128.06210	2.2
129.07011	11.0
131.08583	22.6
133.06517	2.0
133.10143	18.3
135.08078	7.5
135.11694	10.0
137.09613	14.7
139.07579	1.6
141.06979	2.5
141.09097	3.8
142.07813	2.7
143.07059	6.6
143.08539	10.9
145.06561	1.5
145.10115	19.7
147.08087	5.6
147.11702	12.6
149.09633	7.5
149.13269	5.2
153.09167	2.4
155.08580	5.4
155.10600	2.4
157.10133	14.1
159.08191	2.2
159.10344	2.9
159.11664	15.8
161.09657	2.9
161.13277	7.8
163.11241	2.9
165.09155	8.2
167.08568	2.2
167.10710	2.3
169.10173	7.9
171.11699	12.0
173.09683	1.8
173.11847	2.6
173.13165	8.6
175.11122	1.6
175.14888	3.2
177.12727	3.5
181.10133	2.9
183.11713	7.0
184.07355	20.1
185.13246	6.6
187.11203	2.3
187.14851	3.5
189.11247	1.9
189.12796	2.5
193.10211	3.2
195.11774	5.3
195.13712	2.0
197.11693	3.0
197.13329	4.7
199.09731	7.2
199.14795	3.8
199.43877	1.5
201.16380	2.5
205.12224	2.8
206.10762	1.6
207.11734	2.5
209.13304	3.5
211.14853	3.9
213.16367	1.9
217.15833	3.4
221.13365	2.0
223.14845	3.3
225.16595	2.1
227.12788	2.9
229.14345	1.7
233.15488	1.9
239.12741	15.7
241.14384	1.9
241.19553	4.0
249.16524	1.6
257.19034	2.0
259.20642	8.6
273.16830	8.0
275.20120	6.2
287.20053	1.9
297.22092	1.8
299.23798	4.0
327.23428	1.7
333.24313	5.8
349.23825	4.4
377.23450	2.6
387.26779	2.9
389.23099	2.0
393.22693	5.9
395.24384	3.5
399.24823	3.0
405.27914	12.3
407.24194	4.3
409.25839	6.1
421.25916	6.7
423.28772	8.9
433.25937	2.0
435.27554	5.2
467.30185	9.8
471.30850	4.8
479.31369	7.0
489.32062	19.0
497.32623	57.5
497.39917	2.7
503.33429	1.6
507.33188	1.7
515.33759	100.0
516.33710	1.9
524.75781	1.5
529.35413	12.0
533.34790	2.4
539.33356	2.7
547.36426	31.0
554.98236	1.5
565.37006	2.4
744.43390	2.6
762.42035	2.5
764.42126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01868	3.9
55.05515	20.3
57.03437	9.6
57.07064	2.2
60.08157	2.6
61.02920	3.5
67.05510	39.8
69.03436	3.0
69.07072	11.8
69.49425	1.2
70.06612	2.1
70.76253	3.6
71.04999	8.9
71.07384	2.3
73.02926	1.7
79.05497	39.3
81.03426	33.7
81.07063	37.6
83.04981	6.7
83.08619	13.5
85.02905	2.6
85.06561	5.0
86.09716	14.2
91.03959	1.5
91.05490	50.1
92.05843	1.7
93.07053	34.8
95.04967	13.9
95.08002	1.6
95.08617	31.2
97.02899	2.9
97.06536	6.4
97.10168	9.8
98.98409	1.2
99.08107	3.5
103.05527	2.1
105.04569	1.8
105.07039	44.7
107.04957	5.2
107.08603	23.6
109.06533	4.9
109.10179	12.1
111.08103	3.8
115.05439	2.8
117.07037	17.2
119.08597	38.7
121.06512	4.3
121.10147	21.8
123.08084	5.2
123.11742	2.2
124.99999	9.0
125.09666	7.8
128.06201	3.2
129.07018	21.7
130.07803	1.6
131.04839	1.3
131.08583	23.7
133.06514	3.7
133.10141	32.3
135.08044	5.5
135.11682	9.9
137.09645	2.8
141.07010	3.4
142.07777	3.8
143.08559	13.9
145.06570	1.3
145.10141	20.4
147.08060	5.1
147.11697	21.2
149.09642	8.2
149.13268	2.5
151.11258	2.0
153.09204	1.7
155.08569	6.2
157.06477	1.4
157.10139	18.9
159.08061	2.8
159.11736	11.2
161.09598	3.7
161.13275	4.2
163.11136	4.0
165.12727	1.4
167.08585	2.6
168.09377	1.5
169.10152	6.0
171.11700	22.4
173.11925	1.4
173.13228	6.9
175.07605	1.5
175.11182	6.3
177.12706	1.4
181.10167	5.3
183.11693	4.8
184.07356	41.1
185.09567	2.3
185.13274	6.6
187.11215	1.6
187.14830	4.1
189.11244	4.5
189.12772	4.2
189.16501	2.9
193.10417	1.8
193.12231	6.1
195.11736	4.2
197.13185	3.2
199.11224	1.9
199.14903	1.6
203.14345	1.3
203.18011	3.5
207.11713	1.9
209.13318	3.2
211.14929	3.3
213.12831	1.8
213.16397	13.2
221.13376	1.9
223.15050	2.3
227.12602	6.7
231.17461	20.0
233.13191	1.4
245.13855	2.0
247.16965	1.4
253.19583	1.7
255.17590	2.8
267.15915	16.9
271.20605	4.5
275.20261	2.0
287.20020	1.4
305.21198	9.9
311.20114	1.5
315.19598	1.8
341.57123	1.4
375.21628	2.4
387.26712	3.2
389.22928	2.1
393.22858	5.3
405.27744	11.4
407.24362	5.8
415.24625	2.2
417.26654	1.6
423.28912	9.6
441.30051	3.8
479.31516	3.6
489.32004	5.9
491.77191	1.4
497.25702	2.7
497.32678	45.9
511.33975	1.5
514.32178	1.6
515.33752	100.0
516.33771	1.7
529.35663	9.1
529.43164	2.1
539.32947	1.9
547.36499	20.6
573.48767	3.0
623.36676	2.1
659.37402	1.5
726.43402	3.1
762.40631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
55.01865	12.6
55.05515	31.3
56.57751	2.0
57.03437	23.9
59.04994	2.2
59.09122	1.7
61.02919	3.7
65.03936	4.6
67.05508	66.4
69.03432	14.3
69.07074	32.2
69.53098	10.2
71.04996	14.0
73.02902	3.4
78.43246	2.2
79.05496	70.5
81.03423	76.3
81.07059	82.1
83.04985	20.8
83.08616	23.1
85.02901	29.3
85.06551	4.3
86.09706	3.9
91.05485	100.0
93.07045	63.1
93.07640	2.7
95.04966	28.7
95.08603	38.6
97.02880	12.4
97.06535	39.4
97.10164	16.9
99.04445	2.9
99.08075	7.4
103.05510	2.8
105.04515	3.1
105.07033	38.7
107.04948	18.4
107.08590	29.0
109.02888	3.3
109.06516	21.5
109.10160	20.3
111.04463	9.6
111.08100	11.0
112.91806	2.0
113.06032	2.3
115.05442	3.6
115.07567	11.0
117.07023	18.1
119.04948	2.0
119.08585	75.0
120.08964	2.2
121.06497	16.8
121.10144	26.5
123.08063	25.5
123.11649	2.6
124.99969	2.1
125.06000	3.8
125.09641	14.2
127.03889	2.7
127.07578	3.3
128.06233	4.3
129.07001	17.8
130.07828	2.3
131.08559	23.5
133.06468	8.6
133.10156	18.7
135.04427	2.0
135.08046	19.1
135.11702	8.3
137.09615	31.0
139.11189	3.6
141.07005	3.1
142.07797	5.2
143.08539	9.8
145.06471	4.2
145.10133	16.6
147.08047	24.1
147.11653	12.5
149.05934	2.3
149.09610	20.8
151.07529	3.8
151.11163	2.3
153.09134	7.7
153.12743	2.6
153.18312	2.0
155.08525	3.7
157.10124	19.1
159.08060	4.4
159.11665	4.7
161.06009	2.4
161.09627	9.9
161.13258	2.5
163.11206	11.0
165.07037	2.8
165.09132	23.6
167.10773	5.2
169.10167	3.3
171.07994	2.2
171.11676	8.0
173.04370	3.7
173.09619	5.1
173.11789	2.1
173.13245	3.0
175.11203	13.6
177.09067	4.2
181.12283	2.8
183.10172	9.6
183.11650	4.0
184.07297	9.0
185.13248	3.5
187.11171	3.3
189.11177	9.3
189.12750	5.3
191.10692	6.3
193.12213	23.4
199.11186	3.0
199.14864	6.3
201.11169	2.7
203.10652	2.5
205.12325	3.0
209.11696	2.9
211.13300	27.4
217.15895	5.3
223.13292	3.5
225.11285	2.7
227.12547	17.9
227.14706	3.4
239.12775	20.9
241.14276	10.6
245.15410	19.7
245.19048	2.6
255.12311	6.0
257.11160	3.5
257.13837	46.1
263.16501	11.6
267.15894	15.2
273.18521	17.3
283.15460	3.8
285.16953	25.7
291.19586	43.0
309.20547	3.8
319.18997	5.9
326.65921	2.2
337.20074	8.0
347.22043	6.6
355.21490	2.0
365.23322	24.7
383.24231	9.7
409.22186	4.5
419.25195	2.7
426.68927	2.3
427.23120	3.1
433.25778	7.6
437.26752	2.7
449.25296	7.0
451.26904	14.6
455.27509	3.4
478.86401	2.2
489.28662	2.0
511.30182	9.4
529.31647	41.8
547.32648	48.9
565.33728	22.1
593.26300	2.5
611.28516	3.0
779.48584	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01864	0.4
55.05510	1.0
57.03440	2.2
59.04993	1.3
61.02929	3.9
61.17034	0.3
67.05512	3.3
69.03439	2.6
69.07078	1.1
69.35177	2.7
70.40955	0.3
71.01353	0.7
71.04984	1.7
73.02932	2.5
78.14435	0.3
79.05497	3.4
81.03420	5.5
81.07056	2.9
82.90303	0.3
83.04979	1.0
83.08617	1.3
84.08169	0.5
85.02913	4.1
85.06559	0.9
86.09706	1.1
87.04475	0.9
91.03964	1.8
91.05489	3.5
93.07046	2.9
95.04966	2.0
95.08602	1.7
97.02900	3.1
97.06541	1.0
99.04475	0.7
101.02393	1.3
103.03955	0.5
105.07045	3.0
107.04974	0.7
107.08594	2.2
109.02958	0.7
109.06535	0.8
109.10160	0.4
111.04433	0.5
111.08109	0.7
115.03959	0.5
117.07036	0.3
119.08569	1.9
120.08142	0.4
121.10144	2.2
123.08080	0.7
127.03921	1.2
129.07025	1.7
131.08598	2.3
133.10136	1.5
135.08144	0.4
137.09654	0.4
142.07796	0.4
147.11690	2.0
149.09644	2.9
157.10161	1.6
161.00551	0.3
163.11263	0.5
165.12788	0.6
175.11269	1.5
193.12244	2.6
197.15451	0.5
203.05418	0.5
207.13889	0.3
211.13312	0.5
225.14896	1.2
243.08395	2.9
253.14229	0.7
267.15994	1.5
283.15207	7.3
339.17740	2.2
363.54840	0.3
373.64606	0.4
441.21069	0.8
469.20245	0.6
483.22202	0.5
501.23087	31.4
502.23419	0.8
599.33856	0.9
761.39301	100.0
762.39813	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	760.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.01871	3.6
55.05516	17.9
57.03444	15.3
57.07079	1.8
61.02918	2.7
62.85910	1.0
64.97771	1.0
65.03942	3.0
67.05511	63.8
69.03432	5.1
69.07070	14.2
70.00705	2.9
70.01107	1.7
71.04996	3.0
71.08618	1.4
74.59766	0.9
77.03918	1.5
79.05502	46.6
81.03426	85.0
81.07063	55.0
83.05000	5.3
83.08624	23.9
85.02881	2.4
85.06557	1.9
86.09696	4.9
91.05489	35.5
93.07050	46.0
95.04978	28.5
95.08620	39.5
97.02901	3.7
97.06544	4.7
97.10167	6.8
98.21490	1.1
105.04550	1.2
105.07041	27.1
105.07768	1.3
107.04973	7.5
107.08603	25.8
109.06545	5.5
109.10157	19.7
111.04453	3.2
111.08114	6.0
115.05463	2.0
117.07021	9.6
119.04919	1.1
119.08598	23.5
120.49371	1.2
121.06516	4.3
121.10152	22.7
123.04410	1.4
123.08077	2.0
123.11707	6.6
125.00012	3.0
125.09653	3.6
129.07013	10.0
131.04990	1.2
131.08574	21.9
133.06541	2.4
133.10146	13.9
135.08070	2.2
135.11685	10.9
137.09662	3.7
137.13277	1.5
139.11137	1.7
141.08987	1.1
142.07800	3.2
143.08585	3.2
145.10141	10.2
145.53587	1.3
147.08072	3.6
147.11691	13.9
149.09634	5.4
149.13303	6.3
151.11176	1.7
155.08525	1.6
157.10150	14.0
159.11699	8.1
161.09631	1.1
161.13351	4.8
163.11194	2.4
163.14862	4.7
165.12799	1.8
169.10158	1.4
171.10304	1.0
171.11716	3.2
173.11877	1.5
173.13263	5.3
175.11198	8.5
175.14790	1.1
177.16435	1.9
183.11798	1.3
184.07372	13.8
185.13266	3.2
187.14848	2.9
189.11276	2.7
189.16304	1.0
193.12260	25.3
195.13721	0.9
197.13289	1.4
199.14877	1.7
201.16405	1.6
211.13286	2.7
227.12775	9.1
235.13251	1.1
243.21109	6.1
249.14961	2.8
261.22189	19.2
265.14587	1.2
267.15933	100.0
268.16312	1.8
273.14911	1.5
279.23410	1.2
285.16962	7.8
285.22040	1.8
287.23633	1.2
289.21765	1.3
299.23758	2.0
301.14417	1.7
301.21954	2.2
301.25278	6.3
309.16998	5.7
317.24701	4.2
321.20624	1.0
335.25821	80.3
336.26068	1.4
359.25772	1.3
375.18143	1.4
417.26309	1.4
421.25815	3.2
435.27460	2.3
435.32458	5.1
449.29379	1.7
453.33649	8.3
471.34579	5.3
475.30157	1.3
509.36169	1.7
527.37329	62.8
528.37732	2.5
545.38422	60.9
546.38458	2.2
563.39258	5.0
569.38208	4.4
635.39233	1.6
653.39960	1.3
760.43121	15.3
761.42841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01855	1.1
55.05515	16.4
57.03443	6.9
57.07073	2.3
58.25370	0.6
59.05011	1.5
61.02937	3.4
65.03958	2.7
67.05511	70.6
68.05836	0.5
69.03434	2.2
69.07079	13.0
69.17561	5.6
71.05000	25.8
73.02897	0.7
73.06554	1.2
77.03925	0.7
79.05499	38.6
81.03428	1.5
81.07064	100.0
82.07412	1.1
83.04987	4.4
83.08630	8.4
85.02916	3.5
85.06546	8.7
86.09727	1.2
87.04468	1.2
91.03953	1.1
91.04907	1.2
91.05487	29.9
93.07051	41.0
95.04996	4.1
95.08617	30.1
97.02898	0.9
97.06554	4.9
97.10176	2.5
105.04516	1.3
105.07043	18.7
107.04933	0.6
107.08604	22.2
109.06525	2.2
109.10168	13.9
111.08100	2.3
111.11736	0.6
117.07026	5.4
119.08600	10.4
121.06527	0.6
121.10149	17.0
123.08070	1.2
123.11723	14.6
125.00037	0.9
125.09634	1.4
127.90252	0.6
129.06989	1.5
131.08585	10.2
133.10149	19.0
134.10498	0.7
135.08112	1.0
135.11705	10.4
137.13277	0.8
139.11188	0.7
141.06775	0.7
144.99881	0.6
145.06409	0.7
145.10153	5.3
147.11690	4.2
149.09729	0.5
149.13295	7.2
151.11200	7.3
153.12759	0.6
157.10144	1.0
159.11729	6.7
161.13278	3.2
163.14915	1.2
169.10207	0.6
169.12268	0.8
171.11684	1.0
173.13298	2.9
175.14864	1.4
177.12776	1.9
177.16441	0.7
179.14392	1.0
183.11661	0.7
183.13811	3.1
184.07341	5.9
185.13277	1.0
187.13313	4.5
187.14925	1.9
195.13815	1.4
199.14951	0.7
208.86763	0.5
227.16389	3.1
243.15970	1.4
243.21091	0.8
253.18048	0.9
257.17508	2.2
259.20789	0.7
261.22208	2.4
266.11697	0.6
269.17517	5.6
301.20129	22.4
317.24756	0.8
317.56451	0.6
333.24121	0.8
335.25821	25.2
411.32645	1.6
437.34219	1.0
455.35464	1.0
485.36450	3.4
503.37357	86.2
504.37692	3.0
511.38129	1.1
517.38556	3.8
529.38940	16.9
547.40338	0.8
561.41559	91.1
562.41718	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	759.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03443	2.7
59.04988	0.6
61.02927	3.3
68.75319	0.2
68.99796	0.5
69.03432	10.0
70.79541	0.4
71.01371	0.2
73.02923	1.1
75.04448	0.3
81.03417	1.0
85.02906	10.6
87.04475	6.6
91.03969	2.6
93.03409	0.3
95.04964	0.4
97.02897	9.4
99.04473	0.3
103.03881	0.3
109.02876	0.7
111.00784	0.6
115.03932	8.9
121.02852	0.8
127.03924	2.1
133.04970	11.2
135.04320	0.2
135.06017	0.2
137.02335	2.9
139.03912	0.3
145.04958	2.9
149.02309	0.4
153.01822	3.0
161.06013	0.3
163.03894	0.6
163.06033	2.6
165.01807	2.1
169.04999	0.5
183.02917	0.7
187.05910	0.2
195.02905	0.4
201.05446	1.3
217.05264	0.2
219.02933	0.2
229.04961	3.4
241.07030	0.3
247.06004	0.5
257.04440	2.8
259.08081	0.6
274.04791	0.6
277.09229	0.6
285.03970	1.2
295.10266	0.8
303.04987	100.0
304.05371	2.0
315.05048	1.3
327.04950	0.3
345.05948	1.8
369.06042	1.1
381.06152	0.2
429.08356	0.4
435.09332	0.6
447.08972	0.6
465.10394	2.1
602.87238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
61.02927	3.3
67.05502	0.7
69.03433	9.9
69.97870	2.3
70.06570	2.3
71.04987	1.5
73.02909	2.0
75.04489	1.0
81.03405	1.0
83.04987	0.7
84.08125	0.8
85.02918	11.5
86.09692	1.3
87.04475	5.0
91.03941	2.0
97.02903	8.8
99.04420	1.0
107.04980	1.2
109.02878	0.6
111.04456	0.8
114.02176	0.6
115.03933	8.9
121.02886	2.1
125.02309	0.8
127.03893	2.2
133.04973	9.3
145.04951	2.6
151.03926	0.8
163.06027	1.9
167.03397	2.5
167.07022	1.7
179.03407	1.3
181.05011	1.5
189.05402	0.8
258.05188	3.1
274.04822	0.8
286.04706	3.5
301.07095	100.0
302.04279	0.9
302.07404	2.0
313.07114	0.8
317.06589	30.6
343.08194	0.9
403.75192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01868	6.3
55.05514	30.5
57.03442	23.1
57.07074	4.0
59.04998	2.1
61.02909	6.8
62.02821	2.1
65.03923	6.5
67.05505	89.4
69.03407	5.5
69.07066	26.9
69.31106	10.4
69.31531	7.2
71.01328	3.6
71.04986	7.1
73.02901	3.3
74.99751	2.2
78.77327	2.4
79.05494	73.6
81.03416	19.2
81.06596	4.2
81.07058	77.3
83.04983	21.0
83.08610	16.0
85.02908	10.9
85.06528	2.6
86.09689	5.0
91.03983	3.4
91.04913	2.4
91.05482	42.5
93.07044	76.2
95.04964	15.1
95.08608	54.7
97.02911	14.1
97.06538	14.1
97.10173	6.3
99.04410	3.7
105.07026	35.0
107.04953	16.2
107.08594	45.3
109.02790	2.2
109.06510	7.0
109.10162	35.6
111.04434	14.5
111.08067	6.2
111.99835	2.2
117.07002	19.6
119.08582	28.9
120.21310	2.5
121.06496	5.3
121.10147	35.6
123.08050	7.3
123.11677	7.9
125.00016	3.9
125.09606	4.0
129.07007	2.9
131.08560	21.8
133.10118	17.2
135.08035	4.2
135.11703	33.0
137.09634	4.3
141.48143	2.4
143.08557	5.9
145.06439	3.5
145.10121	31.0
146.08141	5.6
147.07997	5.3
147.11716	12.6
149.09612	7.0
149.13232	5.5
151.11153	3.2
153.12715	8.0
155.08549	7.8
157.10188	3.4
159.08073	2.8
159.11670	8.9
160.99728	1.8
161.09529	4.3
161.13263	7.1
163.11201	30.9
163.14828	5.1
167.57968	2.2
171.11743	3.5
173.09619	9.0
173.11865	3.3
173.13293	7.9
175.11346	2.3
177.08907	2.2
177.12772	2.3
181.12218	8.9
184.07314	21.4
185.13235	3.2
187.14818	2.8
191.10681	11.2
209.11684	28.7
209.13388	2.9
209.91634	2.2
218.86194	2.2
227.12805	15.6
229.14401	7.2
243.21292	3.8
253.14441	3.9
261.22122	17.2
265.14313	4.3
267.15900	3.1
273.76300	2.1
283.15402	58.4
299.15039	5.6
300.15149	7.8
301.16434	53.2
307.22675	3.6
317.24747	3.9
333.24100	3.6
335.25812	100.0
336.26059	6.4
337.26505	3.6
423.27457	2.4
433.30960	5.1
451.32001	8.4
468.77094	2.3
469.33054	9.6
469.66632	2.2
487.34052	5.1
525.35748	16.5
543.28430	4.8
543.36786	80.4
544.36884	3.9
561.37708	52.0
596.41284	2.6
784.33600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.59102	0.4
55.01875	2.1
55.05523	2.7
57.03444	7.9
57.07074	0.5
59.04992	0.7
61.02930	50.2
62.06078	0.5
67.05508	6.3
69.03434	12.4
69.07074	19.2
69.20009	4.1
69.88774	0.4
71.01353	0.4
71.04997	2.0
73.02921	19.0
73.06565	2.3
79.05509	5.1
81.03427	6.8
81.07061	9.8
83.04993	0.9
83.08613	3.4
85.02911	100.0
85.06533	1.0
86.09733	1.0
87.04481	1.6
91.03960	55.8
91.05477	5.3
93.07049	6.2
95.04982	1.9
95.08616	8.0
97.02898	41.0
97.06543	2.9
97.10182	1.9
99.04455	4.4
99.08109	1.8
101.02388	1.0
103.03960	1.2
105.07039	10.2
107.08599	8.1
109.02876	4.8
109.06526	0.8
109.10168	5.8
111.04446	0.5
113.09673	0.4
115.03940	4.0
115.07574	3.3
117.05514	1.2
117.07001	2.0
119.08598	4.9
121.06506	0.9
121.10154	7.6
123.04490	0.4
123.08077	0.7
123.11728	1.8
125.09633	9.0
127.03924	29.7
127.11213	2.8
129.07028	0.8
131.08572	3.5
133.10132	5.5
135.11711	5.9
137.09610	0.7
137.13280	0.6
139.11134	0.7
143.08572	0.9
144.17046	0.4
145.04967	46.0
145.10132	6.5
147.11702	8.1
149.13260	3.2
149.59656	0.5
151.11180	0.7
157.10196	0.7
159.11716	5.7
161.13268	20.7
163.06024	51.6
163.11259	1.6
163.14850	1.5
171.11668	0.9
173.13263	4.4
175.14877	3.1
177.12929	0.5
177.16464	1.2
181.12239	1.5
184.07343	2.6
185.13274	1.2
187.14896	0.9
189.16440	1.3
192.61330	0.4
195.49998	0.4
199.14862	1.9
201.16406	1.1
203.17992	1.1
204.08723	0.8
209.11772	0.5
213.16423	1.6
215.17979	4.1
217.19505	2.2
227.17816	0.6
253.19487	1.0
255.21092	40.9
256.21524	1.1
273.22144	26.0
274.22717	0.4
283.15439	0.5
285.25790	9.0
301.16562	1.6
320.38882	0.4
325.11243	1.1
335.25894	2.2
381.31558	6.4
399.32599	73.2
400.32968	1.7
415.32092	0.8
417.33661	46.4
418.33987	1.3
543.36761	1.7
548.89404	0.4
561.38147	2.6
561.45660	0.4
597.32776	0.9
741.44495	2.4
758.41370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71943	0.8
53.00307	1.0
53.03942	2.4
55.01870	2.1
55.05511	5.1
57.03440	5.1
59.06556	0.9
61.02927	21.7
67.05509	12.6
69.03436	7.5
69.07069	19.9
71.04984	2.1
71.61144	0.8
73.02924	9.6
73.06541	3.1
79.05491	8.8
81.02995	0.9
81.03422	5.1
81.07060	21.7
83.04969	1.2
83.08617	3.5
84.16543	0.7
85.02908	43.1
86.09715	1.3
91.03424	2.1
91.03958	24.5
91.05477	7.5
93.07049	10.5
95.04964	2.9
95.08619	7.1
97.02894	17.9
97.06525	5.2
97.10179	1.4
98.97576	1.1
99.04453	2.3
99.08115	6.1
105.07040	14.0
106.07365	0.9
107.04964	1.8
107.08593	8.8
109.02924	2.5
109.06522	1.9
109.10157	9.6
111.08067	1.4
115.03889	1.5
115.07565	3.8
115.08331	0.9
117.07005	3.9
119.08606	8.1
121.06488	1.2
121.10149	9.2
123.08086	2.2
123.11713	1.5
125.09645	6.0
125.10435	0.9
127.03922	13.5
127.11162	2.0
129.07001	2.6
131.08556	6.4
133.06500	1.0
133.10146	12.6
135.11691	6.1
139.11151	0.9
142.07828	1.1
143.08588	6.2
145.04962	18.3
145.10144	10.5
147.08061	1.4
147.11682	17.7
149.09502	1.2
149.13283	10.9
152.27550	0.9
155.08575	1.6
157.10135	11.0
159.11700	12.7
161.09627	2.0
161.13268	11.3
163.06026	20.1
163.11230	2.9
169.10146	1.6
170.99626	0.9
171.11668	6.1
173.13292	3.5
175.11122	2.2
175.14853	4.1
177.12802	1.2
181.12201	3.5
183.11755	2.4
184.07394	3.3
185.13243	2.8
187.14822	1.5
193.12231	1.0
197.13216	3.2
199.14809	2.3
201.16335	2.4
207.54503	1.0
211.14812	2.2
213.16377	3.5
215.17932	7.8
225.16431	2.8
227.12776	1.3
229.19374	1.2
231.17320	1.3
251.18008	1.3
253.19522	42.2
254.20171	1.1
269.17401	6.8
271.20587	17.9
275.20044	1.8
283.15424	1.4
283.24207	23.7
291.19495	7.2
317.24664	1.4
365.23132	3.1
379.29898	14.7
397.31030	100.0
398.31354	2.0
415.32074	17.3
527.33423	1.4
541.35022	2.1
559.36401	12.1
577.36975	5.3
739.42242	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	757.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01859	0.1
57.03436	2.0
59.05001	0.5
59.07319	0.1
61.02930	2.1
63.08179	0.1
68.76783	0.1
69.03431	7.4
70.06593	0.1
71.01339	0.1
71.04992	0.1
71.60123	0.1
73.02918	0.7
75.04488	0.1
81.03416	0.6
83.01332	0.1
83.04958	0.1
84.04477	0.1
85.02907	8.1
87.04471	4.6
91.03415	0.1
91.03960	2.0
95.04961	0.2
97.02893	7.2
98.20780	0.2
99.04450	0.4
101.02338	0.1
103.03936	0.1
103.05424	0.1
105.03413	0.1
107.04959	0.6
109.02883	0.5
111.04430	0.2
115.03931	6.8
117.05479	0.1
121.02867	1.5
121.06548	0.1
123.04418	0.3
124.01576	0.3
125.02334	0.3
127.03913	1.3
133.02844	0.3
133.04967	7.9
134.03546	0.1
135.04410	0.1
139.03876	0.3
141.05486	0.1
143.47656	0.1
145.04968	1.7
147.04390	0.1
151.03889	0.6
163.06020	1.7
167.03413	1.9
167.07088	0.1
169.04953	0.3
179.03419	0.9
181.05040	0.1
184.05203	0.1
185.05937	0.1
186.52367	0.1
187.05972	0.1
197.04410	0.5
199.07500	0.2
203.03403	0.1
212.04657	0.2
223.05841	0.1
227.07108	0.6
229.07184	0.1
241.04814	0.1
241.07137	0.2
245.08122	0.3
255.06616	0.4
257.04498	0.2
258.05252	3.4
259.05798	0.1
259.08090	0.5
259.10529	0.1
268.03476	0.1
272.06775	0.6
273.07446	0.2
277.09177	0.3
283.06049	0.3
286.04700	3.3
295.10193	0.3
300.06119	0.1
301.07059	100.0
302.07401	1.9
313.07056	0.6
339.08759	0.2
343.08124	0.9
367.08029	0.5
397.09354	0.1
427.10291	0.2
445.11081	0.3
463.12302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.7
53.01286	1.9
53.03937	5.9
55.01869	2.2
55.05521	19.7
57.03438	11.0
57.07077	2.2
57.48271	1.9
61.02903	1.9
61.33040	1.5
62.33340	1.7
63.73839	1.6
65.03938	2.1
67.05511	46.3
69.03426	3.5
69.07072	9.7
70.00418	4.5
70.00803	3.3
79.05074	2.8
79.05500	32.1
81.03414	5.6
81.06591	2.9
81.07064	44.3
83.05007	2.9
83.08627	10.2
85.02917	3.4
86.09699	4.4
91.04980	2.5
91.05497	27.8
93.07058	41.9
95.04977	7.2
95.08612	31.8
97.02885	5.2
97.06533	5.5
97.10200	4.8
99.00806	9.6
99.08098	2.7
105.04460	1.6
105.07034	16.9
107.04948	8.5
107.08603	22.4
109.02883	17.8
109.06527	3.4
109.10174	16.1
111.04444	2.3
111.08046	3.4
115.03928	2.1
117.07011	6.6
117.97296	1.7
118.69236	1.8
119.08609	16.2
119.21098	1.6
121.06512	5.8
121.10175	12.4
123.08078	3.2
123.11704	7.1
127.03937	3.3
129.07008	2.7
131.08589	9.7
133.10147	38.0
135.08047	2.2
135.11699	10.0
137.09602	2.6
143.08569	5.2
145.06497	2.6
145.10115	6.1
147.08116	1.8
147.11700	5.1
149.13229	5.4
151.11205	11.4
157.10136	2.8
159.11742	2.2
161.09665	12.8
161.13252	2.9
163.14844	2.1
169.14909	2.0
171.08049	2.5
173.13283	2.6
179.10706	8.8
184.07353	13.5
185.13222	1.9
189.09113	7.5
197.11784	2.3
225.11226	12.8
243.12270	2.8
243.21196	4.5
244.57039	2.4
261.22165	20.8
271.05106	2.0
277.21661	3.0
281.13824	11.6
299.14926	81.5
315.23489	2.7
317.24759	3.0
335.25845	100.0
351.24991	2.2
375.39822	1.8
389.73413	1.9
394.83560	1.9
467.31638	4.8
505.38937	2.2
531.36627	3.7
541.35480	15.0
559.36292	47.8
572.41693	2.0
577.37280	2.5
592.90161	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
53.46000	0.8
55.01864	2.7
55.05518	6.5
57.03439	4.9
60.05655	0.8
61.02932	22.3
67.05512	9.0
67.22803	0.6
69.03430	8.0
69.07074	24.8
69.62936	4.8
71.05000	1.5
73.02921	8.1
73.06558	2.2
76.13144	0.7
79.05497	9.2
81.03429	4.7
81.06596	1.2
81.07063	20.2
83.04974	1.5
83.08634	3.6
85.02910	41.9
85.06555	1.5
86.09698	1.3
87.08070	0.7
91.03427	1.2
91.03967	20.7
91.05491	8.2
91.27588	0.7
93.07058	12.7
95.04967	2.8
95.08617	8.8
97.02898	17.7
97.06534	5.2
97.10165	1.8
98.21523	0.9
99.04443	2.8
99.08103	5.0
105.07043	10.4
107.04988	1.2
107.08605	10.0
109.02859	2.3
109.06495	1.7
109.10168	5.9
115.00451	0.7
115.03925	1.7
115.05482	0.8
115.07570	2.2
115.31426	0.8
117.07033	3.0
119.08587	8.8
121.06494	1.2
121.10155	9.1
123.08073	2.5
123.11675	1.4
124.99986	1.4
125.09679	4.2
127.03939	12.7
127.11157	1.1
129.06979	1.8
130.10796	0.8
131.08556	6.4
133.06505	0.8
133.10141	11.6
134.63495	1.0
135.08070	0.9
135.11710	6.8
137.09579	1.0
141.07094	0.8
142.07721	0.9
143.08566	6.0
145.04970	16.3
145.10127	10.3
145.99979	0.7
147.10516	1.3
147.11693	15.8
149.09659	1.2
149.13271	9.6
155.08563	2.4
157.10149	10.2
159.11717	13.6
161.09621	1.7
161.13266	10.7
163.06026	19.2
163.11174	1.4
169.10110	1.8
171.11696	4.4
173.13278	4.7
175.11205	1.4
175.14886	4.1
177.12779	0.8
181.12254	2.8
183.11731	1.5
184.07414	3.5
185.13260	2.7
187.14848	2.2
195.11639	0.9
195.13820	1.4
196.12579	0.7
197.13292	2.9
199.14809	1.8
199.16460	0.8
201.16364	2.6
211.14908	2.3
213.16415	3.7
215.17946	5.6
223.13293	0.8
225.00717	0.8
225.16454	1.2
227.12717	0.9
227.17966	1.0
249.18542	1.5
253.19528	43.8
267.15948	1.6
269.17462	7.0
271.20593	15.9
273.18494	1.3
275.20093	1.1
283.15485	0.8
283.24213	19.1
291.19519	7.4
292.07242	0.7
299.38055	0.7
317.24747	1.3
325.06897	0.8
325.11121	0.7
365.23260	4.6
379.29932	14.7
379.34518	1.1
397.31039	100.0
398.31357	2.6
415.32126	15.9
527.33472	1.7
541.35132	1.5
559.36340	15.2
577.37213	2.8
739.42560	4.5
756.41168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01874	0.4
55.05510	0.9
56.69484	0.1
57.03445	1.2
58.38576	0.1
59.05006	2.1
61.02924	0.3
61.69921	0.1
65.03944	0.4
67.05507	4.7
69.03434	1.7
69.07077	0.7
70.06590	0.5
70.10081	0.3
71.04996	0.8
72.08163	0.1
73.02925	0.2
79.05491	1.6
81.03422	1.5
81.07063	2.3
83.04983	0.8
85.02908	3.5
85.06547	0.2
86.09713	0.1
91.05482	2.9
91.06022	0.2
93.07046	2.6
95.04975	2.8
95.08614	3.2
97.02904	1.0
97.06530	0.4
99.04459	0.4
101.06025	0.5
103.05500	0.3
104.93667	0.1
105.04504	0.2
105.07039	5.2
107.04965	0.8
107.08600	7.5
108.05730	0.2
109.02887	0.4
109.06523	10.2
109.10164	8.3
109.10939	0.2
111.04444	0.3
111.08097	0.4
113.06001	0.2
116.73626	0.1
117.07056	0.6
119.04969	0.3
119.06063	0.5
119.08585	6.0
121.06497	0.9
121.10161	1.3
122.07280	1.4
123.08080	3.7
123.11716	0.3
125.09631	0.2
127.03915	0.6
129.06981	0.3
131.08572	0.4
133.06503	0.6
133.10130	0.9
135.08081	1.4
135.11696	1.7
137.09622	100.0
138.09972	0.8
139.07523	0.3
143.08473	0.3
145.04997	1.1
145.10114	0.6
147.08049	1.0
147.11691	2.5
149.09615	2.6
151.07555	1.4
151.11249	0.2
153.09102	0.6
156.09390	0.4
159.11708	0.4
161.09634	0.5
161.12000	0.2
161.13266	2.7
163.06013	0.3
163.11201	0.7
165.12740	0.3
171.11702	1.0
174.10352	0.3
177.12775	0.8
179.14322	0.5
189.12759	3.8
207.13811	37.2
208.14166	0.5
215.09189	0.1
225.14874	0.8
259.17169	0.1
369.19144	0.7
539.18408	0.1
754.16089	0.2
756.20099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	2.5
55.05511	11.9
57.03394	5.8
59.04962	0.5
61.02885	0.7
64.70944	0.5
65.03909	1.3
67.05508	15.4
69.03439	2.9
69.07063	4.1
70.11234	1.7
70.11612	1.0
71.04943	2.3
78.45178	0.5
79.05494	14.6
81.03420	38.9
81.03862	1.3
81.07059	14.5
83.04990	4.1
83.08617	11.8
85.02856	0.7
85.06505	1.2
91.05482	12.5
93.07043	11.6
95.01249	0.5
95.04969	14.8
95.08608	6.3
97.02860	0.8
97.06521	2.7
97.10175	11.3
98.20829	0.6
99.08025	0.6
105.07030	7.6
107.04956	11.0
107.08595	9.0
109.06516	7.1
109.10156	4.2
111.04398	1.1
111.08083	4.1
111.63593	0.4
113.05977	0.6
115.05415	1.2
117.07018	2.9
119.07835	0.5
119.08586	8.3
121.06512	7.8
121.10149	6.8
123.04386	1.3
123.08072	3.0
123.11682	0.9
125.05961	0.9
125.09638	9.9
128.06166	0.5
129.07002	7.2
131.04883	1.7
131.08572	8.9
133.06491	4.4
133.10126	4.0
135.08073	4.4
135.11661	1.3
136.51268	0.4
137.05959	0.9
137.09583	1.5
139.11075	0.6
141.06931	0.8
142.07693	1.0
143.08519	1.6
145.06491	5.2
145.10124	3.8
145.89050	0.5
147.04361	1.2
147.08022	3.8
147.11674	4.8
149.06003	0.6
149.08621	0.4
149.09627	3.7
151.07460	0.8
153.09082	2.4
153.12634	1.4
155.08456	1.5
157.06470	1.1
157.10107	6.4
159.07990	1.9
159.11629	1.9
161.05879	1.3
161.09598	1.4
163.07588	0.7
163.11185	2.7
165.12711	1.5
167.08444	0.7
167.10623	0.6
169.06502	0.7
169.10078	1.3
171.08008	1.8
171.10129	2.2
171.11537	1.0
173.09647	1.1
173.13202	1.6
175.07497	0.6
175.11169	5.2
177.12766	0.8
177.16978	0.5
181.10013	1.1
183.07980	0.6
183.11671	0.9
185.09503	0.8
185.13261	0.7
187.11200	0.7
187.14841	1.1
189.09035	0.6
189.11176	4.5
189.12738	1.5
191.14354	0.9
193.12239	14.5
195.11697	1.8
197.09575	0.5
197.13249	2.3
199.11096	1.9
199.13100	0.9
201.12711	0.7
203.14296	1.0
205.12228	1.4
209.13237	0.9
211.11264	1.1
211.13206	0.9
213.12733	1.6
215.14322	2.8
217.12161	1.3
219.11845	0.5
219.13771	2.5
223.11237	0.9
223.13252	1.6
225.12726	0.7
227.12712	1.7
231.13783	1.5
233.15370	3.3
235.13231	0.9
237.12752	1.4
243.13805	0.9
245.15366	1.2
249.14838	1.1
255.13754	2.1
259.13293	0.7
267.15918	35.6
273.14746	6.0
273.16953	0.5
275.16351	1.0
275.97128	0.5
293.17407	1.7
309.17368	0.5
321.22186	0.8
331.20792	0.7
339.23184	2.6
349.21631	5.0
357.24271	2.0
367.22665	12.8
385.23764	18.2
386.24164	0.8
403.24838	6.8
441.26343	8.8
459.27423	99.8
460.27740	3.5
477.28494	100.0
478.28726	3.3
491.30066	12.8
501.28464	2.1
509.31165	6.1
531.29016	0.7
541.33917	1.0
555.29919	0.6
567.29132	2.5
585.30334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	2.0
53.03945	5.3
55.01874	2.9
55.05273	1.6
55.05513	18.1
57.03445	10.5
57.07071	3.3
59.05028	1.5
61.02917	3.6
64.03333	1.6
65.03925	2.9
67.05511	45.4
69.03437	2.1
69.07079	9.9
69.18125	2.6
69.18533	12.7
71.04987	2.3
71.08639	1.7
79.05069	2.4
79.05502	28.1
81.03414	6.6
81.06599	2.7
81.07063	47.9
83.04991	3.1
83.08627	14.1
85.02898	5.6
85.06552	1.7
86.09709	3.9
91.05489	28.0
93.07052	39.0
95.04988	7.1
95.08617	33.0
97.02908	7.6
97.06534	4.4
97.10182	3.5
99.00830	11.8
99.08119	1.5
101.84440	1.6
105.07041	22.9
107.04969	8.0
107.08605	25.2
109.02883	19.1
109.06508	2.7
109.10166	17.7
111.04424	2.1
111.08072	3.8
115.03954	1.5
117.07012	7.3
119.08588	17.3
121.06499	4.5
121.10148	15.2
123.04443	2.8
123.08074	2.8
123.11693	4.8
127.03892	2.2
131.08553	9.0
133.06496	2.9
133.10150	38.2
135.08052	2.3
135.11745	11.0
137.09563	2.3
137.13280	2.1
139.07603	2.2
143.08524	4.6
145.10158	7.2
146.47491	1.6
147.08142	1.4
147.11655	5.8
149.09656	1.6
149.13275	5.8
151.11212	11.6
159.11685	4.8
161.09645	16.8
161.13300	2.9
163.11331	1.7
163.14822	2.2
171.08049	4.4
172.32959	1.4
173.13214	3.4
175.14767	1.6
179.10698	8.1
184.07310	9.2
187.14812	2.1
189.09114	8.1
197.11832	2.2
206.31323	1.7
207.10173	2.6
225.11211	17.9
243.12329	3.1
243.21045	4.4
261.22168	19.0
281.13904	6.8
299.14917	83.8
315.23233	3.1
317.24799	3.2
333.24438	2.0
335.25833	100.0
336.26129	2.2
449.31113	1.9
467.31427	4.7
479.30106	1.6
485.32593	2.8
503.37207	1.9
513.35712	5.1
523.34167	2.6
531.36920	2.7
541.35052	14.1
559.36310	52.6
756.43524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	1.3
55.05512	6.7
57.03439	11.3
57.07081	24.5
57.07347	0.9
57.91553	0.5
65.03936	0.7
67.05508	13.5
69.03410	1.2
69.07069	6.2
69.67569	2.5
71.04970	1.7
71.08637	17.8
74.09696	1.4
79.05502	6.7
79.42935	0.5
81.03423	52.8
81.07063	14.6
82.03702	0.5
82.46018	0.4
83.04979	3.2
83.08627	16.7
83.09117	1.0
85.02925	0.9
85.06517	0.6
85.10185	11.7
85.10673	0.4
86.09688	0.7
87.04449	0.6
89.06016	1.5
90.41927	0.4
91.05488	8.8
93.07054	4.6
95.04398	0.8
95.04974	14.3
95.08611	14.1
97.02878	1.5
97.06521	1.0
97.10167	4.5
99.08084	0.6
99.11724	0.8
105.07031	7.6
107.04964	3.8
107.08611	2.4
109.06495	1.3
109.10161	7.4
111.04456	1.1
111.08085	3.8
111.11707	0.9
115.05475	0.7
117.07005	0.7
119.04948	0.6
119.08579	6.4
121.06484	1.4
121.10137	3.1
123.04407	0.9
123.08046	0.7
123.11689	3.2
129.07024	5.1
129.11282	0.5
131.08578	4.3
133.06456	2.1
133.10141	3.5
135.11717	0.9
137.09613	0.7
137.13210	1.2
142.07759	1.2
145.10127	1.2
147.08000	2.0
147.11703	4.8
149.09651	3.3
157.10141	6.2
163.11214	1.1
165.12756	1.7
175.11201	7.4
184.07361	2.4
193.12254	22.3
211.13266	1.3
235.13184	1.0
239.23680	2.2
249.14996	0.7
257.24789	2.0
259.13336	0.6
267.15927	100.0
268.16281	1.2
289.13895	0.6
301.14386	1.2
309.16974	1.5
313.27377	96.3
314.27756	2.2
319.15561	0.6
462.54300	0.5
491.37650	0.5
505.38913	82.4
506.39407	2.6
523.40192	1.5
547.40027	3.0
601.41364	1.0
613.41022	0.7
649.42889	0.9
671.60840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01865	4.0
55.05515	31.9
57.03197	2.0
57.03444	13.8
57.07085	2.5
58.15548	2.5
65.03945	5.9
67.05511	76.6
69.03440	3.2
69.07079	24.1
71.04987	4.5
71.08582	2.3
71.53078	2.0
74.26847	1.9
79.05502	91.0
79.38626	1.8
80.05826	2.8
81.03419	18.5
81.07062	76.7
83.04984	14.4
83.08617	15.3
85.02924	2.1
85.06544	3.4
91.05489	99.3
93.07052	98.8
93.07938	2.5
95.04980	19.5
95.08616	45.9
95.09187	4.1
97.02878	3.7
97.06554	6.4
97.10181	4.8
99.08109	4.4
105.07045	92.6
107.04931	10.7
107.08609	39.1
109.06528	8.4
109.10157	16.1
111.08080	3.3
115.05476	3.7
117.07019	22.6
119.08596	64.7
121.06551	3.5
121.10161	23.0
123.08086	7.5
123.11761	3.0
125.09719	3.0
127.07547	3.0
128.06242	5.5
129.07019	27.9
130.07770	2.4
131.08594	24.2
133.10141	43.3
135.11702	19.1
137.09628	2.4
143.08562	20.5
145.10164	29.2
147.08034	5.6
147.11703	67.6
149.09543	2.7
149.13275	6.9
155.08618	3.8
156.09369	2.1
157.10167	10.2
159.11688	20.2
161.09636	5.0
161.13266	38.2
163.14969	1.9
167.08504	2.1
169.10173	3.4
171.11694	39.4
173.13264	12.5
175.14810	12.8
177.12782	4.7
184.07397	4.5
185.13295	8.3
187.11308	2.4
187.14864	3.9
189.12755	8.3
193.12297	2.6
195.13904	2.8
197.13287	5.1
199.14873	6.8
207.13846	22.6
209.13416	2.8
211.18469	2.2
212.57503	1.9
213.16466	4.3
231.21124	6.3
237.09068	2.1
241.19495	27.4
243.21178	2.4
257.19043	3.7
259.20596	70.9
279.15945	21.4
281.17493	75.4
315.23138	5.0
333.24258	49.0
400.34528	2.4
447.32581	9.2
465.33755	10.8
483.34662	4.3
503.37231	10.0
521.36804	3.8
539.37372	100.0
540.37952	4.0
557.38562	35.5
564.42450	2.7
747.65906	2.6
754.42566	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	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68567	0.4
53.03920	2.0
55.01841	1.7
55.05513	7.1
57.03445	11.2
57.07079	28.4
61.02901	0.8
65.03933	0.6
67.05508	11.8
69.03390	1.5
69.07072	7.6
69.67466	2.9
71.04963	1.5
71.08635	22.8
79.05083	0.6
79.05498	8.1
81.03423	56.7
81.07062	16.6
83.04979	3.4
83.08625	19.7
85.02875	0.9
85.06519	0.8
85.10186	12.6
85.95236	0.5
86.09690	0.6
89.06000	1.5
91.04998	0.6
91.05489	9.1
93.06586	0.4
93.07045	5.3
95.04975	18.3
95.08616	17.0
97.02841	1.6
97.06490	1.2
97.09661	0.5
97.10181	5.4
99.11698	0.5
103.07575	0.9
105.07037	7.8
107.04958	4.3
107.08614	2.6
109.06488	1.8
109.09466	0.7
109.10157	7.8
111.04438	1.1
111.08086	5.7
111.11687	1.5
111.59937	0.5
115.05425	0.9
117.06998	0.9
119.04923	0.8
119.07816	0.5
119.08597	7.4
121.06493	2.1
121.10159	3.7
123.04391	1.0
123.08025	1.6
123.11710	3.5
125.00021	0.6
125.09622	1.0
125.13216	0.8
129.07028	6.3
131.08572	5.6
133.06451	1.6
133.10123	2.8
135.11629	0.6
137.09599	1.4
137.13190	1.0
142.07747	1.6
145.10109	1.2
147.08041	2.4
147.11717	5.2
149.09589	3.4
157.10141	7.9
163.11203	1.0
165.12749	1.8
175.11194	7.3
184.07321	2.0
193.12256	24.1
211.13258	1.2
235.13359	1.0
237.14490	0.6
239.23688	1.9
249.14868	1.8
257.24707	2.3
267.15927	100.0
268.16263	1.0
273.14969	0.5
301.14383	1.1
309.17041	1.4
313.27374	97.0
314.27719	1.8
474.16180	0.4
505.38916	82.0
506.39362	2.6
523.39905	1.7
547.39807	2.5
601.40985	1.2
613.40826	1.1
631.42096	0.6
649.43646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01874	0.3
55.05511	1.5
57.03446	2.5
59.04998	0.6
61.02652	0.5
61.02932	5.6
65.03953	0.3
67.05175	0.5
67.05507	4.8
69.03436	3.9
69.07065	1.0
71.01366	0.4
71.05002	1.3
73.02915	4.2
79.05501	5.7
81.03426	3.2
81.07061	4.7
83.04996	0.6
83.08628	1.1
85.02911	6.2
87.04482	0.7
91.03961	4.3
91.05489	3.1
93.07047	5.0
95.04987	1.1
95.08610	2.6
97.02901	4.9
97.06541	0.8
97.10178	0.4
98.21528	0.6
99.04468	0.9
99.08121	0.5
101.02386	2.1
103.03961	0.6
105.07048	1.8
107.04964	0.4
107.08621	1.8
109.02889	0.9
109.10163	1.4
111.04490	0.3
111.08111	0.4
115.03952	0.8
117.07047	0.5
118.24957	0.3
119.08601	1.7
121.10136	3.2
123.08083	0.3
123.11726	0.6
127.03918	1.3
129.07028	0.3
131.08548	1.7
133.10156	1.2
135.11708	0.9
145.10139	0.7
147.11647	1.2
149.09644	0.9
151.24052	0.3
157.10133	0.5
159.11804	0.4
163.11230	0.3
163.41087	0.2
173.13301	0.3
175.11214	0.5
185.04247	0.7
193.12317	0.6
203.05327	0.8
233.11647	0.4
243.08385	2.2
267.15982	0.6
283.15152	6.3
283.18158	0.4
285.95428	0.2
307.22836	1.1
335.89545	0.3
339.17780	0.6
368.71417	0.3
368.76395	0.3
368.81509	0.3
491.26224	9.5
492.26852	0.3
501.23111	6.4
532.98352	0.3
751.42395	100.0
752.42688	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	751.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18910	0.4
58.73523	0.4
70.26939	0.4
71.51451	0.6
74.02444	0.4
91.05544	0.4
115.05482	0.9
117.07032	1.2
118.06552	16.7
130.06548	1.4
132.08076	4.8
142.06534	1.5
143.07326	2.2
144.08089	12.4
146.06020	56.1
147.06392	0.8
159.09186	5.7
160.07648	0.6
170.05994	4.1
188.07077	100.0
189.07402	1.1
202.71570	0.4
205.09735	46.9
266.63803	0.4
332.85648	0.4
372.27957	0.4
447.11115	0.6
714.13269	0.4
768.84564	0.5
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
54.05168	0.4
55.01881	0.6
55.05500	1.2
57.03428	1.8
58.26022	0.5
59.04999	0.9
60.06913	0.6
60.08162	0.7
61.02928	4.5
67.05502	4.5
69.03436	2.9
69.07077	1.6
69.34937	4.0
71.04987	0.8
73.02922	3.7
79.05491	4.2
81.03421	7.4
81.07066	4.2
83.08630	0.9
85.02911	4.8
86.09724	3.4
87.35257	0.5
91.03971	2.3
91.05489	3.7
93.07047	4.8
95.04983	0.9
95.08614	3.8
97.02882	3.8
99.04475	1.1
101.02403	1.5
103.03962	0.6
105.07037	1.8
107.08612	1.8
109.02879	0.9
109.10188	2.2
117.06969	0.5
119.08590	3.3
121.06511	1.3
121.10172	0.6
122.83145	0.5
123.08117	0.5
125.00025	3.0
127.03939	1.1
129.07040	0.8
131.08565	0.9
137.09628	2.1
143.08502	0.5
145.05029	0.6
145.10191	0.6
147.08083	1.1
165.09167	2.4
184.07352	13.9
185.04265	0.8
185.07779	1.3
239.12827	0.8
243.08459	2.4
255.12004	3.7
259.08081	0.7
473.19998	12.8
519.29370	6.2
552.61096	0.5
563.26160	0.7
715.47467	1.4
751.42383	100.0
752.42755	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	748.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
53.04147	1.2
55.01867	6.8
55.05514	49.5
57.03447	18.3
57.07061	2.3
59.04986	2.4
61.02913	3.1
65.03944	4.2
66.92014	1.3
67.05510	100.0
69.03413	5.2
69.07073	18.7
71.01373	2.3
71.04982	4.1
71.52271	1.6
73.02913	2.5
79.05499	71.4
81.03432	9.5
81.07061	63.1
83.04963	6.1
83.08621	16.6
85.02918	19.8
85.06528	6.3
86.09715	9.2
87.04468	8.2
91.03942	2.1
91.05486	36.3
93.07049	61.1
95.04985	9.0
95.08613	36.9
96.47873	1.3
97.02899	4.3
97.06517	5.3
97.10178	25.0
98.98513	1.3
99.04504	1.3
99.08080	5.2
103.03975	1.9
104.31708	1.6
105.04511	1.9
105.06409	1.8
105.07044	24.4
107.04942	4.9
107.08602	32.4
109.06545	3.6
109.10166	48.2
111.04404	2.1
111.08073	5.0
111.11678	1.3
113.09625	1.9
117.07054	12.5
119.07819	1.9
119.08591	20.5
121.06483	2.9
121.10149	32.6
123.08082	4.5
123.11684	6.2
124.99992	6.9
125.09643	22.8
129.07013	2.8
131.08575	14.3
133.10132	18.6
135.08080	5.6
135.11705	19.4
137.09583	4.7
139.07600	1.6
139.11148	3.6
143.08577	2.3
143.10681	2.3
145.06490	1.8
145.10124	14.4
147.08044	2.0
147.11719	6.7
149.09625	5.6
149.13225	6.7
151.11200	1.9
153.12721	2.0
155.10674	4.7
157.10095	3.6
159.11690	11.0
161.13245	3.1
163.11194	7.1
169.09981	2.6
171.11661	4.4
173.11731	12.5
173.13255	7.1
175.11186	2.4
181.12262	2.4
183.11682	2.3
184.07347	37.5
185.13214	2.0
187.14862	2.8
189.12758	1.6
189.16293	2.1
191.10612	2.8
193.12262	4.4
199.13301	10.8
205.19469	1.9
209.11691	4.0
211.13254	1.8
213.16353	3.1
215.17963	16.5
217.14346	2.3
227.12711	7.4
229.14355	40.8
231.17499	2.5
233.19031	11.8
245.13843	3.6
249.18483	1.8
255.11958	1.8
257.18851	1.5
261.22217	2.1
267.15909	6.2
273.13333	3.5
287.19940	1.6
299.20157	2.5
301.16437	20.3
307.22696	74.5
308.22754	1.7
319.17465	2.2
326.86414	1.5
335.22195	2.9
335.25803	4.8
379.24612	1.5
431.31476	2.2
441.29825	1.9
449.32785	10.5
461.32721	15.6
477.31854	1.5
497.33154	1.6
515.33771	8.5
533.34747	15.3
551.35938	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01862	7.1
55.05515	46.5
57.03439	21.5
59.04997	2.8
61.02923	5.2
65.03927	3.5
67.05508	100.0
69.03426	4.2
69.07060	16.8
69.26276	20.6
71.04987	4.6
79.05497	62.7
81.03408	8.9
81.06599	3.4
81.07059	60.7
83.04962	7.1
83.08620	16.6
85.02920	17.7
85.06541	4.9
87.04454	6.1
88.12563	1.9
91.03936	2.4
91.05482	37.8
92.70070	2.0
93.06490	3.4
93.07049	60.1
95.04951	6.5
95.08602	37.7
97.02901	4.5
97.06529	6.3
97.10163	22.3
99.08096	4.3
105.07043	20.5
105.72902	2.0
107.08589	30.4
107.95605	1.9
109.05272	1.9
109.06503	5.7
109.10163	55.7
111.08114	3.1
117.07012	9.5
119.08593	19.9
121.10139	32.8
123.08035	2.6
123.11686	7.7
125.09633	23.3
127.03895	2.8
129.07033	3.9
131.08582	13.8
133.10141	13.4
135.11702	22.6
137.09688	4.5
139.11179	4.6
139.58278	2.3
143.10678	6.2
145.10115	15.4
147.11685	8.8
149.09641	2.7
149.13246	7.7
151.11110	2.4
153.12766	2.3
155.10675	4.7
157.10153	5.1
159.11681	8.4
161.13245	2.5
163.11159	7.2
165.12743	2.3
167.10767	2.6
173.11716	15.0
173.13281	9.1
175.11232	2.1
175.14874	2.5
184.07333	4.7
189.11337	2.5
193.12234	3.0
199.13298	12.5
204.57077	2.1
207.29176	2.0
209.11664	4.5
215.18027	22.5
227.12715	5.8
229.14381	55.9
233.19029	17.0
259.86908	1.9
267.15839	6.6
283.15289	3.1
301.16476	20.8
307.22699	91.4
308.22781	2.1
324.56256	2.3
431.31393	2.1
449.32758	10.9
461.32690	23.1
515.33466	5.8
533.34784	13.0
551.35730	4.4
748.39252	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	748.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01872	3.5
55.05312	1.1
55.05517	11.2
55.89325	1.0
57.03443	10.9
57.07071	1.4
59.28479	0.9
59.79637	0.9
59.99855	0.9
60.08162	4.7
61.02920	3.5
65.03942	3.1
66.61399	0.9
67.05511	37.3
68.11156	0.9
69.03422	3.0
69.07073	44.8
69.16330	3.7
69.16753	6.0
71.01347	1.0
71.04984	3.0
71.07381	2.6
71.08632	1.8
73.02919	1.2
73.06547	3.0
79.05499	37.8
81.03428	11.1
81.07061	100.0
83.04992	3.2
83.08626	6.4
85.02910	11.1
85.06540	1.1
86.09222	1.8
86.09711	23.8
87.04473	1.5
89.06023	2.4
91.05484	17.4
93.07047	33.0
95.04974	3.6
95.08614	31.1
97.02887	2.9
97.06537	11.7
97.10157	3.0
98.21548	2.1
98.98439	2.0
99.08099	4.1
103.03977	1.7
104.10761	2.3
105.04565	1.4
105.07048	11.5
107.04964	2.0
107.08598	19.1
108.31152	1.2
109.06531	2.9
109.10168	15.9
111.08081	2.6
113.06010	1.2
115.07578	7.8
117.07018	8.1
119.08591	10.5
121.06518	2.1
121.10154	11.5
123.08087	2.6
123.11729	4.3
125.00021	16.6
125.09656	2.9
127.07546	7.8
129.05469	1.1
129.07027	2.2
131.08553	6.7
133.08623	1.2
133.10153	8.0
135.08051	9.9
135.11694	8.6
137.05994	1.1
137.09587	2.9
137.13300	1.5
139.07610	1.6
143.07013	2.0
143.08580	1.9
145.06454	1.1
145.08611	4.4
145.10127	5.1
147.08040	1.9
147.11688	5.9
149.09663	1.6
149.13309	5.3
151.11171	1.0
153.09175	2.7
157.10159	1.5
159.11674	6.9
161.13272	2.9
163.07544	5.5
163.11151	1.8
163.14822	3.2
165.09111	3.4
171.10182	2.9
171.11685	2.2
173.13210	4.7
175.09691	1.3
177.16360	1.2
181.08636	4.3
183.11707	1.2
184.07353	84.6
187.14835	2.7
199.09691	5.4
199.14848	1.4
201.11218	34.4
229.14421	1.4
239.12794	3.9
243.21132	2.9
255.12399	1.7
259.20584	1.8
261.22177	10.3
273.13354	13.9
291.14432	1.4
297.22156	1.0
298.62659	1.1
315.23236	1.7
322.57574	0.9
333.24216	1.3
335.25821	57.5
336.26251	1.5
336.94284	1.0
361.23672	1.0
363.25342	1.2
405.27399	1.1
461.32791	7.5
515.33514	3.1
533.34790	5.8
544.59015	1.1
551.35413	1.4
635.69830	1.2
712.45337	5.3
748.42926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
55.01881	3.2
57.03444	0.9
62.36363	0.6
65.03947	5.3
65.34648	0.6
67.05524	1.7
69.03458	1.6
69.07063	0.7
69.35438	3.6
69.35849	1.2
70.06586	3.8
72.08157	1.6
75.04482	1.8
77.03927	0.8
78.04711	2.1
79.05494	5.4
81.03423	2.8
81.07064	1.4
83.23885	0.6
84.08146	1.2
85.02929	5.2
86.09727	2.1
91.05486	9.5
93.03410	8.7
93.07074	3.3
95.04971	5.1
97.02929	1.6
97.06537	3.8
102.04758	1.0
103.05472	18.8
105.03411	1.2
105.04513	1.1
105.07049	8.2
106.04178	13.8
107.04964	11.3
107.78912	0.7
109.02826	0.8
109.06548	2.2
110.03687	1.8
111.04453	1.5
115.05430	4.5
117.03325	1.2
117.06998	4.4
118.04163	4.3
119.04975	3.0
119.08555	0.8
119.46948	0.7
120.05740	0.8
120.08185	1.0
121.06512	15.1
122.03721	0.7
122.07264	0.7
123.04417	4.7
124.05246	2.1
124.35819	0.6
125.06007	8.1
129.06979	1.9
130.04146	1.2
131.04936	21.2
131.08592	0.9
132.05727	0.9
133.02849	1.4
133.06503	8.3
134.03642	3.4
135.04424	2.0
135.08089	2.5
137.05992	6.0
137.09558	0.9
138.03186	0.6
139.07542	1.8
141.06996	1.4
142.02626	2.2
143.04961	1.6
144.05705	1.8
145.02869	0.9
145.06497	5.0
146.03624	1.1
147.04428	1.4
147.08049	2.4
147.38924	0.6
148.05200	10.9
149.05998	27.8
151.03934	2.6
151.07587	2.1
151.60269	0.6
152.04680	0.7
153.05495	4.5
153.09111	8.1
155.06004	1.3
157.06441	1.5
159.04404	1.0
159.08029	2.3
160.05251	1.3
161.05989	9.5
162.01353	1.5
162.06776	0.8
163.02194	0.7
163.03922	2.3
163.06126	1.0
163.07549	20.9
165.05490	1.4
165.09196	0.9
166.06299	0.9
167.07050	54.3
168.07471	0.9
171.06561	2.7
173.06012	5.5
174.06776	0.9
175.07556	3.0
176.04666	2.1
177.05486	21.1
177.09044	1.1
179.07089	1.8
181.04970	71.0
181.08557	17.4
182.05252	0.9
183.06557	1.0
184.07344	1.3
187.07556	4.6
189.05470	1.2
190.00919	1.5
190.06261	1.3
191.07042	92.9
192.07663	2.3
193.04999	1.3
193.08714	3.2
195.06535	4.3
197.08031	0.8
197.18407	0.7
199.07346	0.7
201.05487	2.3
201.09131	0.7
203.07008	2.3
205.06879	0.8
205.08560	4.3
207.06491	1.5
207.10303	1.4
208.01950	1.6
209.08101	100.0
210.08548	1.2
217.08614	1.9
219.06424	0.8
219.10115	6.4
221.07962	0.9
223.04274	17.4
225.07506	1.9
231.06529	1.9
233.08116	6.2
235.07437	1.6
235.09648	5.8
236.08330	0.7
237.09071	1.5
245.08064	1.3
247.07507	0.9
252.07738	1.0
255.09981	0.8
261.11301	0.9
263.09198	23.7
265.08575	0.9
267.09982	4.0
273.03900	0.6
279.10071	0.8
281.08063	1.0
283.09525	0.8
289.10797	0.8
292.07336	0.8
293.08133	1.4
295.09677	1.3
297.11349	2.2
307.09543	1.7
309.10895	0.7
312.08994	2.1
313.10617	0.9
322.08289	1.0
325.10666	4.2
327.12137	0.9
329.13864	1.1
331.11646	1.0
332.06516	1.0
335.09134	0.7
337.10468	1.1
339.12177	1.1
355.11694	1.6
357.13345	7.7
359.14801	0.8
367.11694	3.0
371.15033	1.0
381.13367	0.8
385.12753	13.2
387.14267	1.2
389.15762	1.2
399.14288	3.2
417.10129	1.3
417.15424	22.2
425.61362	0.7
542.28882	0.8
568.31122	0.8
609.23370	1.1
697.67560	0.8
779.96271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01869	2.6
61.02924	1.2
65.03937	5.4
67.05499	2.5
69.03427	2.0
69.44440	4.3
70.06592	3.4
72.08160	1.5
75.04482	2.4
78.04720	2.1
79.05486	4.8
81.03413	2.6
81.07092	1.5
82.04238	0.8
83.05029	0.7
84.04534	0.6
84.08137	1.0
85.02907	5.1
86.09700	2.3
89.03934	0.9
91.05488	10.3
93.03407	8.2
93.07048	4.2
95.04967	4.9
97.02874	1.5
97.06542	3.3
103.05476	20.7
105.03376	1.6
105.04515	1.0
105.07023	8.0
106.04181	13.7
107.04955	10.4
109.06508	1.7
110.03660	1.4
111.04439	2.2
115.05466	5.4
117.03433	0.7
117.07003	4.6
118.04167	4.8
119.04943	2.4
119.08565	1.0
120.05750	1.7
120.08096	0.6
121.06512	17.7
122.03678	1.0
123.04444	4.5
124.05185	2.1
125.06004	6.5
129.07007	1.1
130.04121	1.5
131.04944	22.7
131.05962	1.2
131.08553	2.4
132.05698	2.2
133.02899	2.3
133.06491	9.0
134.03619	2.4
135.04404	1.6
135.08072	2.2
137.05969	5.5
138.03117	1.9
139.07571	1.5
141.07002	1.0
142.02608	1.9
143.04965	1.2
143.06041	0.9
143.95543	0.6
144.05745	1.6
145.02806	1.3
145.06473	4.9
146.03635	1.3
146.07275	1.0
147.04428	2.4
147.08022	2.2
148.05186	10.5
149.05994	24.6
151.02109	0.9
151.03889	3.3
151.07536	1.9
152.04695	1.9
153.05478	4.6
153.09090	5.7
155.06050	2.0
157.06453	1.2
159.04419	0.9
159.08093	2.0
160.05208	0.9
161.05986	10.8
162.01340	1.7
163.02185	1.0
163.03886	2.5
163.07545	23.6
165.05547	1.9
165.09164	0.8
166.02733	0.7
166.06245	1.2
167.07045	62.3
168.07289	0.7
171.06557	1.9
173.05981	6.9
174.06735	1.3
175.03874	1.0
175.07669	3.7
176.04695	3.3
177.05475	19.9
177.09050	1.1
178.06276	1.0
179.01564	1.2
179.07037	1.6
179.08479	0.8
180.07887	0.7
181.04965	77.6
181.08530	14.2
182.05319	1.3
184.07333	1.2
187.07491	3.2
189.09106	0.9
190.00789	1.7
190.06274	1.3
191.07039	100.0
192.07602	2.8
193.04889	1.5
193.08582	2.5
195.06506	5.0
201.05458	1.9
202.06212	0.8
203.07002	2.9
205.06874	0.8
205.08606	4.2
207.06450	1.8
207.08267	0.8
207.10216	1.8
208.01846	1.0
209.08098	90.4
210.08459	1.4
217.08611	2.2
219.08215	1.0
219.10126	6.1
221.08025	1.0
223.04236	18.2
223.09619	0.7
224.08607	0.8
225.07654	1.5
229.08412	0.7
231.06439	1.2
233.08055	5.1
234.06671	0.9
234.08813	0.9
235.07518	2.2
235.09648	6.0
236.08192	0.8
242.05408	0.7
245.08081	2.6
246.06589	0.8
249.08972	0.9
252.07793	1.0
253.08688	1.1
257.08029	0.8
259.97736	0.7
263.09164	27.2
265.08630	1.2
267.10110	4.1
269.08020	1.1
279.10028	1.4
292.07159	1.0
293.08047	1.1
294.09039	0.8
295.09549	1.4
297.11197	2.5
307.09509	1.6
311.12924	0.8
312.09048	2.5
322.08167	0.6
323.09039	1.0
325.10733	3.0
327.12152	1.4
329.14120	1.2
331.11743	1.1
339.12405	1.3
353.10107	1.0
357.13300	8.6
367.11682	2.1
369.13367	1.3
371.14749	1.2
381.13330	0.9
385.12766	12.8
387.14276	1.5
399.14380	3.1
417.15430	19.4
548.75031	0.7
609.23163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01872	2.2
55.05516	10.1
57.03440	13.1
57.07071	1.7
57.21936	0.6
61.36640	0.7
65.03942	2.1
67.05510	38.3
69.03437	1.9
69.07072	12.8
70.10929	1.3
70.11320	1.5
71.01343	0.7
71.05002	3.7
73.06565	0.8
77.03963	0.8
78.24043	0.6
79.05499	24.8
81.03422	100.0
81.07059	33.7
83.04984	4.1
83.08629	3.9
85.02894	1.9
85.06542	1.9
91.05487	28.6
93.07048	32.6
95.04990	4.5
95.08612	30.3
97.02911	2.9
97.06523	3.9
97.10189	1.6
99.08093	1.2
103.05502	1.0
105.04509	1.0
105.07039	12.7
107.04961	1.9
107.08598	15.4
109.06521	2.7
109.10159	14.5
111.08121	0.7
115.57740	0.8
117.07008	5.9
119.08591	27.7
121.06503	6.8
121.10145	12.7
123.04423	1.4
123.08067	4.3
123.11727	4.5
125.06025	2.0
128.06250	1.0
129.07022	3.7
131.08568	9.1
133.06534	1.1
133.10162	7.2
135.08084	3.3
135.11703	8.5
137.09622	20.5
137.13240	0.9
142.07816	0.7
143.07060	3.0
143.08643	1.5
145.04993	1.1
145.10146	6.5
147.08060	7.1
147.11713	4.4
149.09674	2.3
149.13275	3.7
151.11205	1.3
155.08536	1.0
157.10152	2.2
159.11732	5.8
161.09657	1.1
161.13240	3.8
163.07591	1.2
163.14877	2.0
165.09117	19.1
167.10690	1.5
169.10114	1.6
171.11681	1.8
171.13181	0.7
173.09523	0.6
173.13219	4.8
175.11240	0.9
175.14914	2.1
177.09171	0.9
181.10287	1.0
183.10179	1.3
183.11716	1.9
184.07405	1.9
185.13292	2.2
187.14867	3.0
199.09615	5.0
199.14900	1.3
201.16423	1.2
205.12302	1.3
207.10127	1.2
209.13425	0.7
211.14854	1.0
213.16451	1.1
215.17944	0.9
219.13876	1.0
233.15147	0.7
234.16605	0.7
239.12787	71.5
240.13084	0.8
243.21182	2.6
252.73045	0.7
259.16968	0.8
261.22141	10.3
279.23148	0.8
281.13992	0.9
285.22040	1.4
299.23804	1.4
301.25342	2.0
317.24911	2.4
327.23166	1.6
335.25821	50.3
336.26129	1.3
341.24829	0.7
363.25201	1.1
373.27386	0.8
377.26923	0.8
389.23425	1.4
389.28445	2.1
393.22888	2.3
396.22403	0.9
397.31189	2.0
401.26950	2.5
407.24524	1.3
407.29453	7.1
417.26288	1.0
421.26587	0.7
425.30713	7.3
443.31543	2.5
481.32983	3.2
499.34225	47.0
500.34692	1.3
517.35297	36.8
518.35583	1.4
531.37079	3.3
541.35199	1.5
549.37793	3.8
697.40405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01878	3.4
55.05267	1.9
55.05514	20.5
57.03192	1.8
57.03442	19.6
57.07072	3.1
65.03944	1.2
67.05508	56.5
69.03427	2.2
69.07072	9.2
69.73553	6.2
69.95603	1.2
71.04990	4.3
73.02917	1.2
77.03952	1.5
79.05498	52.1
81.03423	79.4
81.07062	53.2
83.04979	5.6
83.08625	19.7
85.02914	2.6
85.06547	4.1
91.03973	1.3
91.04911	1.4
91.05487	38.8
93.07050	57.9
95.04976	28.5
95.08613	31.6
96.58405	1.1
97.02901	1.9
97.06525	5.9
97.10191	6.2
99.08104	3.1
103.05489	1.0
105.04533	2.1
105.07044	23.9
105.07690	0.9
107.04982	6.0
107.08593	27.9
109.06528	5.1
109.10158	16.3
111.04460	2.1
111.08099	8.9
113.09693	1.4
115.05444	1.6
117.07032	9.2
119.08586	23.0
121.06516	3.4
121.10153	31.0
123.08054	3.6
123.11709	6.9
125.09638	4.8
129.05507	1.5
129.06995	11.2
131.08585	20.4
133.06476	2.2
133.10143	20.4
135.08063	3.6
135.11705	23.7
137.09630	3.1
137.13246	1.4
141.07054	1.1
142.07817	4.0
143.08569	1.7
145.10127	13.3
147.08092	3.0
147.11691	14.8
149.09596	5.7
149.13292	7.7
151.11162	2.1
157.10155	11.3
159.11697	11.1
161.13261	3.3
163.11177	2.9
165.12819	1.3
169.10133	1.3
171.11736	2.7
173.13278	9.3
175.11197	10.6
175.14868	2.8
177.12834	1.6
184.07362	4.3
185.13229	2.7
187.14816	3.5
189.11255	2.9
193.12254	18.4
199.14899	1.5
205.19516	2.6
209.13329	1.6
211.13263	2.8
215.17966	27.3
225.14684	1.3
227.12735	5.3
231.13948	1.2
231.17372	2.1
233.15395	1.9
233.19006	25.5
233.21236	2.1
249.14862	3.0
251.20270	1.6
255.21140	2.3
259.13306	1.7
267.15921	100.0
268.16425	1.8
273.14874	2.6
273.19226	1.3
273.22076	6.5
289.21625	1.8
307.22693	91.1
308.23148	2.1
309.17062	3.1
315.19705	1.4
389.28259	2.3
407.24634	2.2
407.29385	5.7
425.30576	8.7
443.31638	3.2
481.33441	1.7
499.34244	65.9
500.34500	2.0
517.35272	56.9
518.35712	2.8
541.35052	4.3
559.36273	1.7
595.36865	1.3
607.36584	1.8
625.37158	1.5
643.38336	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39890	0.6
55.05499	2.2
57.03440	1.9
57.07075	0.9
61.02936	3.4
67.05510	7.2
69.03425	2.9
69.07067	2.0
69.16542	3.5
69.16972	3.1
71.04996	1.1
73.02929	3.8
79.05499	5.2
81.03424	1.9
81.07060	7.4
83.08614	2.3
85.02901	3.4
86.09709	0.9
86.18827	0.7
91.03960	2.1
91.05498	3.4
93.07063	5.6
94.07367	0.8
95.04987	1.5
95.08613	5.5
96.08968	0.7
97.02885	4.2
97.06557	1.7
97.10162	1.1
99.04444	1.2
101.02398	1.6
105.07034	2.0
107.08595	4.4
109.02909	0.8
109.10181	2.8
112.08292	0.7
117.07055	1.8
119.08604	2.2
121.10168	2.9
122.10514	0.6
127.03921	1.5
131.08604	1.7
132.08900	0.8
133.10132	1.1
135.11710	4.2
145.10162	1.8
161.13260	0.8
163.11185	4.4
181.12218	1.2
184.07430	1.5
185.04251	1.1
219.09834	1.1
227.12857	3.4
243.08482	2.1
249.11012	9.8
269.17542	0.7
305.13690	2.1
335.25949	0.8
336.26138	1.2
337.27094	1.0
347.37183	0.7
466.36014	1.0
467.19025	12.6
519.29297	5.7
530.39691	0.8
547.39075	1.5
548.39825	2.8
573.48340	0.9
583.43787	0.9
745.41351	100.0
746.41248	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	745.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01863	4.3
55.05518	24.8
57.03445	15.1
57.07072	5.3
61.02936	16.4
65.03949	4.0
66.93625	2.0
67.05507	71.3
68.30849	2.4
69.03420	7.4
69.07077	23.1
70.80324	5.2
70.80667	3.0
71.04977	6.0
73.02919	4.9
79.05497	66.2
81.03400	7.9
81.06593	3.6
81.07059	68.5
83.04972	4.0
83.08631	12.2
85.02911	14.4
85.06529	7.6
85.13728	2.1
88.09772	2.3
91.03944	6.5
91.05485	69.9
93.07046	66.2
95.04955	8.2
95.08615	53.3
95.09196	1.5
97.02877	10.8
97.06470	4.5
97.10176	3.8
99.08096	4.7
101.06128	2.3
105.07037	67.6
107.05008	2.9
107.08594	38.0
109.02839	3.3
109.06539	4.0
109.10168	19.7
111.08070	3.8
115.05433	2.9
116.06177	3.0
117.07018	28.9
118.91190	2.2
119.08580	55.9
121.10151	29.9
123.08081	3.0
123.11703	4.5
128.06239	5.7
129.05443	2.6
129.06996	23.5
131.08572	36.8
133.10130	57.4
135.11696	20.0
137.13235	2.6
141.06970	6.4
143.08582	23.0
145.10129	36.4
147.11703	45.8
149.09619	4.3
149.13220	6.2
155.08522	6.5
157.10143	23.6
159.11703	21.4
161.13301	11.5
163.11121	3.3
163.14729	3.3
167.08606	4.2
169.10146	12.4
171.11676	29.1
173.09639	3.3
173.13306	16.5
175.11127	2.8
175.14781	5.0
181.10178	3.0
183.11746	11.2
185.13261	10.0
187.14813	10.0
189.16388	5.2
195.11697	7.0
197.13261	10.2
199.11000	3.3
199.14783	8.8
201.16342	3.5
203.17950	10.5
209.13283	3.7
211.14713	6.4
213.16400	37.0
215.17918	5.5
221.13176	3.6
223.14749	3.7
225.16428	2.5
227.18033	3.5
229.15816	5.8
231.17455	49.1
239.17978	3.4
241.19550	4.7
251.17941	3.1
259.20609	4.7
261.21985	4.8
305.21167	16.0
307.22705	6.0
335.25806	41.8
473.37653	2.8
491.38574	7.0
509.40070	3.7
565.42383	8.3
583.43573	100.0
584.44482	5.3
607.42609	3.3
709.46069	5.4
710.47162	2.9
727.46912	4.6
745.48376	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	745.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.01870	3.1
55.05514	33.7
57.03203	1.3
57.03442	15.7
57.07064	5.8
61.02934	10.7
65.03938	4.5
67.05507	78.8
69.03425	8.2
69.07067	25.1
71.01328	2.2
71.04985	5.1
71.08601	1.8
71.38631	2.2
73.02905	4.9
77.03932	1.7
79.05498	92.1
81.03413	5.0
81.07059	79.1
83.04977	6.1
83.08621	12.6
85.02914	12.7
85.06545	4.6
86.52145	1.5
91.03958	6.0
91.04902	3.0
91.05484	72.1
93.07047	100.0
95.04977	10.8
95.08611	60.8
97.02901	9.5
97.06522	5.7
97.10183	7.7
99.08061	4.6
105.04571	2.7
105.07038	64.6
107.08599	38.5
108.08951	1.8
109.06509	4.0
109.10163	22.7
111.04444	2.0
111.08116	2.1
113.06018	2.2
115.05428	2.3
117.07023	23.0
119.08582	58.8
121.06490	2.8
121.10143	45.9
123.08067	3.3
123.11738	8.4
125.09598	1.9
127.03914	2.0
128.06198	3.8
129.06996	17.4
131.08563	36.8
133.06503	2.7
133.10135	55.0
135.08070	3.8
135.11693	27.8
137.09566	2.7
137.13284	2.2
141.06970	4.5
142.07901	1.5
143.08563	15.9
144.09187	1.6
145.10123	31.4
147.11690	38.2
149.09569	3.7
149.13272	14.5
151.11208	2.2
153.06944	1.7
155.08549	6.4
157.10144	22.0
159.11702	24.9
161.13263	25.0
163.11142	4.3
163.14812	3.9
165.12787	1.6
167.08524	2.5
169.10139	8.2
171.11707	18.3
173.13292	18.8
175.11215	4.1
175.14825	15.0
177.12788	1.8
181.10109	3.9
183.11693	5.0
185.13289	11.4
187.11237	2.0
187.14764	7.7
189.16377	2.3
191.14326	2.3
195.11732	3.1
197.13316	5.8
199.14812	8.6
201.12782	1.7
201.16325	3.4
203.17839	1.8
209.13263	2.8
211.14799	4.4
212.04373	1.4
213.16437	12.7
215.14391	1.6
215.17978	8.7
217.15921	1.9
217.19415	2.8
219.17297	1.4
223.14909	2.9
225.16443	3.2
227.12685	3.5
227.18054	2.0
231.17455	10.4
231.21088	3.9
233.19009	6.2
237.16435	2.3
239.18054	2.7
241.19525	21.7
243.21046	3.0
251.17961	2.8
257.19028	6.1
259.20584	44.5
261.22250	2.5
271.20718	1.9
273.21973	1.7
275.20279	1.7
277.21750	1.9
283.15387	3.1
283.20367	2.6
284.15778	2.0
287.20499	1.5
289.21460	1.5
297.22006	2.1
301.21692	3.6
305.21072	5.6
307.22681	76.5
308.22821	2.0
313.21844	2.0
315.23215	4.4
333.24271	32.9
335.25781	7.2
339.28851	2.9
340.29224	4.3
351.25302	1.6
358.66522	1.5
367.22556	3.7
403.24701	4.1
441.25989	1.9
459.27246	3.1
477.28195	3.1
487.33670	2.2
491.38666	5.3
548.40271	7.0
565.42444	8.9
581.41876	4.8
583.43579	83.0
584.43817	4.4
593.42096	2.1
607.42957	2.5
619.44061	1.5
649.45044	3.1
661.44189	2.3
673.44556	6.4
691.45349	5.3
709.46533	4.3
727.47345	6.7
745.49341	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.05514	2.2
57.03432	1.2
57.66116	1.0
61.02916	1.7
61.32518	1.1
67.05511	5.3
69.03426	1.3
69.07084	1.8
70.06616	1.9
71.04996	1.2
78.75773	1.2
79.05501	4.7
81.03428	11.5
81.07062	5.2
83.04975	1.9
83.08582	2.1
85.02907	4.6
86.09755	1.2
91.04050	1.0
91.05482	6.5
93.07054	5.0
95.04971	4.1
95.08617	3.5
97.02887	2.2
97.06593	1.8
103.05515	1.3
105.07048	2.2
107.04975	2.4
107.08623	2.1
109.06500	1.5
109.10188	2.2
119.08585	4.5
121.06561	1.5
121.10186	1.9
123.08138	1.3
129.07043	1.8
131.08574	2.2
133.10170	1.2
137.06018	1.3
137.09641	2.9
145.10133	2.2
147.04384	1.1
147.08067	1.5
149.09636	2.6
159.04472	1.7
161.02370	1.4
161.13278	1.3
163.03976	4.6
165.09155	2.5
173.02443	1.3
173.06052	2.6
173.11958	1.7
175.11206	1.6
187.04070	1.3
189.05540	1.5
193.12114	1.4
211.13342	1.4
239.07019	1.5
263.94360	1.3
267.09314	1.3
345.13699	1.8
355.15515	2.3
467.18881	1.7
501.23291	2.0
543.71405	1.3
593.27362	4.3
611.28809	3.2
727.32855	1.8
745.34381	100.0
746.34906	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	0.8
55.05516	3.3
57.03431	2.4
57.07073	1.1
60.50910	0.7
61.02931	9.2
67.05177	0.9
67.05509	10.3
68.05840	0.6
68.69364	0.6
69.03436	4.6
69.07070	3.6
69.32966	4.7
71.04997	1.1
71.08640	1.1
73.02917	5.6
73.14747	0.6
79.05499	7.3
81.03425	3.5
81.07056	10.5
83.04961	0.7
83.08616	1.5
85.02907	6.9
86.09711	0.8
87.04472	0.7
91.03968	4.2
91.04440	0.5
91.05490	4.9
93.07047	9.2
94.07410	0.6
95.04977	1.7
95.08615	8.6
97.02896	6.3
97.06554	0.9
97.10169	0.8
99.04475	0.9
101.02400	2.0
103.03944	0.7
105.04553	0.7
105.06417	0.7
105.07008	3.6
105.19708	0.6
107.04928	0.5
107.08588	4.6
109.02897	1.2
109.06561	0.7
109.10156	3.3
117.07018	2.4
119.08580	3.5
121.10148	4.1
122.10522	0.6
123.11723	1.6
127.03915	1.4
131.08580	2.3
133.10124	2.5
135.11690	3.4
143.08569	1.4
145.10118	2.8
147.11745	1.3
157.10139	2.1
159.11731	1.7
163.11200	2.6
163.72385	0.5
169.10115	0.9
171.11711	1.0
173.13281	1.0
175.14880	0.7
183.11694	1.1
184.07376	2.2
185.04153	0.7
185.13322	0.8
197.13237	1.0
219.10052	0.6
224.38614	0.6
227.12885	1.8
243.08469	2.1
249.10966	14.2
275.84811	0.7
290.62857	0.6
305.13770	1.1
335.25800	1.2
336.26022	1.1
467.18811	6.3
491.38708	0.7
519.29419	9.5
546.38721	1.0
547.39392	1.1
548.39307	1.3
583.36493	0.5
583.43567	14.1
745.41168	100.0
746.41669	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	744.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89115	0.7
53.03940	2.2
55.01870	1.2
55.05273	1.1
55.05514	14.7
57.03442	7.4
57.07072	2.8
59.04997	3.4
61.02927	4.1
62.03053	0.7
65.03938	3.4
67.05510	92.0
68.05856	0.9
69.03424	2.7
69.07076	15.4
69.89486	0.7
69.98087	2.0
69.98481	1.4
71.04997	19.0
73.02927	0.9
73.72950	0.7
77.03893	0.9
77.97383	0.8
79.05018	1.0
79.05500	36.0
81.03422	6.0
81.07062	42.0
83.04975	3.4
83.08630	9.1
85.02918	3.4
85.06537	4.0
86.09695	1.4
91.03954	1.6
91.05488	25.8
93.07049	43.1
95.04971	5.0
95.08612	32.4
96.08933	0.9
97.02894	2.3
97.06531	4.6
97.10181	2.1
98.20797	0.9
99.08116	1.1
103.03973	0.9
105.06401	1.0
105.07047	11.3
107.08599	22.8
109.06532	3.1
109.10164	64.4
111.08088	4.5
113.47892	0.8
117.07023	5.6
119.08582	17.0
120.47400	0.7
121.10149	16.6
123.08109	1.0
123.11709	3.2
124.99956	1.1
125.09635	2.3
129.06996	1.6
131.08582	7.8
133.10153	9.0
135.08018	1.0
135.11703	14.2
137.09619	7.7
143.08633	1.0
145.10135	8.5
147.11699	6.0
149.09616	1.0
149.13275	3.6
151.11203	0.9
155.10637	3.6
157.10117	2.0
159.11702	4.3
161.13264	2.5
163.11174	4.4
163.14888	1.3
173.11748	5.1
173.13199	2.0
175.14868	1.0
181.12294	1.7
183.11821	0.8
184.07343	2.4
187.13268	1.7
187.14865	1.4
193.12228	2.8
201.81247	0.8
211.13289	1.9
221.78059	0.8
227.12695	1.4
241.19571	0.9
243.15923	1.9
255.15947	4.8
257.19046	1.0
261.22180	2.1
267.15912	2.8
275.20102	1.2
285.16928	1.6
287.18515	17.4
299.23785	0.9
317.24478	0.9
335.25793	28.3
337.27313	3.5
423.32645	1.0
465.35873	1.0
471.34610	3.5
489.35791	100.0
490.36047	3.4
503.37375	2.9
515.37402	13.8
529.38544	2.1
547.40015	86.8
548.39978	3.0
582.42615	1.0
587.46771	1.1
726.48083	0.9
744.45825	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	743.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.3
55.01820	1.8
55.05458	11.3
55.05756	1.0
57.03381	7.1
57.07021	1.5
61.02869	16.1
61.03214	1.4
65.03880	1.9
65.04183	0.5
66.93045	0.4
67.05444	24.9
67.05833	1.7
68.05769	1.4
69.03432	7.2
69.07069	10.7
70.54094	0.4
71.01305	1.1
71.04931	2.8
71.38445	0.7
73.02920	8.2
73.06523	0.4
73.38680	0.4
77.03876	0.4
79.05497	20.9
79.05914	0.9
80.05777	1.4
81.03425	10.4
81.07062	26.4
81.07516	1.4
82.03688	1.4
82.07333	1.6
83.04989	3.1
83.08623	7.3
83.09089	0.5
84.08907	0.6
85.02911	16.2
85.03383	0.7
85.06485	1.9
86.03201	0.5
87.04436	0.6
91.03957	7.7
91.05481	19.7
92.05777	1.1
93.07048	19.8
94.07300	1.6
95.04969	5.0
95.08611	20.3
95.09171	0.8
95.34658	0.4
96.05213	0.4
96.08864	1.1
97.02901	11.2
97.06551	2.5
97.10194	2.9
99.04381	1.3
99.08042	1.1
101.02375	2.6
103.05405	0.9
105.04459	0.6
105.07037	15.0
106.07295	0.9
107.04888	0.8
107.08601	12.8
108.08894	0.6
109.02841	0.8
109.06451	1.8
109.10160	8.3
110.10452	0.9
111.04385	0.5
111.08082	2.3
113.06028	0.5
115.03926	0.7
115.05379	1.3
117.07024	8.8
118.07248	0.4
119.08582	14.3
120.08898	0.5
121.06467	0.6
121.10145	9.2
122.10416	0.8
123.08004	1.6
123.11683	2.6
125.09563	1.5
127.03925	2.9
128.06187	2.3
129.05460	0.6
129.07008	9.8
131.08568	12.4
132.08871	0.6
133.10132	10.5
134.10481	0.6
135.08022	1.1
135.11699	5.9
136.12016	0.5
137.09544	1.3
141.07001	4.6
142.07825	2.2
143.08565	11.5
145.04930	0.9
145.10133	11.2
146.10422	0.7
147.08002	0.9
147.11696	6.8
148.11972	0.7
149.09557	1.9
149.13255	2.7
151.11108	0.8
153.06917	1.3
154.07727	1.0
155.07420	0.7
155.08571	9.0
156.09219	1.6
157.10133	11.8
158.10501	0.6
159.11705	7.6
161.09573	0.7
161.13304	2.8
163.11075	0.7
163.14728	1.3
165.06950	1.2
166.07721	1.4
167.08557	4.8
168.09254	1.4
169.08789	0.7
169.10126	11.3
170.10789	0.8
171.10307	0.7
171.11688	10.7
173.13254	5.7
175.11105	1.3
175.14737	1.9
177.12668	0.6
178.07729	0.6
179.08469	1.4
180.09279	0.9
181.08641	0.7
181.10115	6.3
182.10771	1.3
183.11697	11.5
183.94908	0.5
184.07263	1.1
184.12425	0.4
185.09628	0.5
185.13264	7.3
187.11133	0.7
187.14792	3.5
189.16309	1.2
191.08540	0.5
193.10074	3.1
193.12137	4.0
194.10957	0.9
194.12505	1.0
195.11705	7.9
196.12418	0.7
197.13263	8.2
198.13737	0.6
199.11205	0.6
199.14806	4.6
201.16379	1.3
203.25354	0.5
205.10017	1.3
207.11710	3.8
208.12482	0.6
209.09668	0.4
209.13228	6.2
210.13945	0.5
211.13194	4.6
211.14803	5.9
212.13608	2.2
213.12784	0.7
213.16354	2.9
215.17805	0.6
217.10187	0.6
219.11638	1.9
220.12608	0.5
221.13297	3.7
222.13884	0.6
223.14844	5.0
225.12604	0.6
225.16451	3.7
227.14302	0.5
227.17871	1.7
233.13245	1.1
235.14900	2.2
237.16383	3.0
239.18059	2.4
241.19469	1.3
243.17410	0.6
245.13327	0.7
247.14684	1.3
249.16443	2.0
251.18004	2.7
253.19650	1.2
257.19138	0.5
261.16373	1.0
261.22021	0.6
262.22418	0.8
263.17871	1.4
265.19501	1.2
267.15762	1.0
268.16208	0.9
269.21411	0.5
275.17886	0.9
277.19424	0.8
279.20905	0.7
281.18903	0.8
281.22467	0.6
283.20337	0.7
285.16913	5.7
286.17276	3.5
289.19351	0.6
291.21036	0.6
293.22559	0.7
295.20370	0.8
297.18774	0.5
297.22153	0.6
305.22592	0.7
309.22064	1.3
311.20068	0.5
313.21497	0.6
321.22183	1.0
323.23590	1.1
327.23419	0.5
335.26038	7.6
336.26187	8.2
337.25281	1.2
347.23575	0.6
349.25406	0.6
351.26941	1.0
363.26834	0.8
365.24600	0.7
377.28497	0.7
383.29883	0.5
389.28452	0.6
391.29968	1.3
403.29880	0.6
407.29263	0.8
419.29309	1.9
421.31250	0.7
433.30267	0.6
445.29672	0.6
471.36420	1.1
473.32596	0.7
487.34619	0.8
489.37262	6.6
493.33502	0.8
499.34186	1.0
501.36713	0.6
507.38153	2.0
511.34464	1.3
513.35779	1.5
525.36279	0.5
527.37744	0.6
528.37933	2.2
539.37451	0.5
545.38568	4.5
546.38690	15.2
563.40955	6.8
579.40308	1.6
581.42035	100.0
582.42291	3.8
583.43799	1.2
593.42151	1.0
605.42523	0.8
615.40338	0.6
623.42786	0.7
635.42511	0.6
647.43469	0.6
689.44098	1.0
707.45349	1.3
725.46313	2.0
743.47272	20.8
744.47266	1.3
748.36932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81507	0.3
52.12373	0.3
55.01864	0.4
57.03437	2.6
59.04992	0.4
61.02925	3.2
68.99781	0.8
69.03430	10.7
69.63227	1.2
70.06571	0.4
71.04977	0.4
73.02925	1.6
81.03389	0.9
85.02908	11.7
86.09716	0.4
87.04469	6.4
91.03955	3.4
92.05652	0.3
93.40199	0.3
97.02895	10.4
98.21519	0.4
99.04431	0.7
107.05009	0.3
109.02856	0.6
111.00780	0.6
115.03937	8.8
118.64122	0.3
121.02857	2.2
127.03915	2.1
133.04971	11.3
137.02321	0.6
145.04984	3.0
153.01813	2.7
157.06500	0.3
163.06029	2.4
165.01814	1.3
183.02881	0.7
185.05942	0.5
187.06001	0.4
213.05420	1.6
213.64600	0.3
231.06502	0.6
241.05017	0.8
258.05280	0.8
259.08289	0.7
272.27618	0.3
283.06064	0.3
287.05508	100.0
288.05774	1.2
299.05511	1.1
301.01721	0.3
303.05054	1.2
329.06573	1.4
353.06561	1.0
383.07654	0.5
431.09531	0.5
431.39801	0.3
449.10779	1.7
534.16217	0.3
705.53735	0.3
754.37152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01863	4.0
55.05516	26.1
57.03439	17.4
57.07079	1.8
61.02918	5.8
65.03941	2.3
67.05505	68.6
69.03436	5.2
69.07056	16.3
69.17530	17.3
71.04990	5.8
72.72291	1.6
73.02906	2.1
79.05492	47.8
81.03420	49.8
81.07057	70.6
83.04996	13.3
83.08621	22.1
85.02908	25.0
85.06566	2.0
86.09743	1.6
86.70533	1.6
91.03968	1.7
91.05480	42.7
93.06486	3.5
93.07050	57.0
93.07645	3.4
95.04967	22.2
95.08609	36.9
97.02885	6.2
97.06528	6.8
97.10157	8.6
99.08113	2.7
105.07040	32.9
105.89294	1.6
107.04978	5.8
107.08591	25.8
108.62957	2.0
109.06523	5.2
109.10161	17.1
111.04456	3.6
111.08090	10.2
117.07021	7.2
117.29898	1.5
119.07813	2.5
119.08590	24.8
121.10151	26.9
123.08115	3.3
123.11700	8.6
125.40701	2.0
127.03951	2.1
129.07007	10.2
131.08586	21.2
133.10130	19.0
135.11734	10.0
136.07509	1.7
137.09641	3.6
143.08551	2.3
145.10135	12.8
147.11688	18.0
149.09627	7.4
149.13252	7.2
151.11165	2.7
155.08583	2.2
157.10152	13.9
159.11711	5.8
161.13243	5.9
163.11140	2.9
163.14850	3.3
165.12755	4.6
171.11656	2.1
173.13229	3.9
175.11191	10.4
184.07368	3.9
187.14806	2.6
189.11238	2.2
193.12233	28.4
197.13177	2.2
211.13280	43.3
227.12770	2.6
243.21124	2.4
259.20483	2.3
261.22073	8.4
267.15897	17.2
269.17380	3.7
275.19943	3.2
277.21619	3.1
285.16974	50.7
301.24945	2.1
307.22430	2.4
317.25131	2.6
327.77393	1.7
335.25809	86.8
349.24057	2.1
435.32742	3.3
453.33487	3.2
527.37146	21.7
545.38379	100.0
546.38611	3.2
563.39752	2.4
581.41949	10.2
742.45435	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
55.01865	1.5
55.05273	0.8
55.05515	13.2
57.03440	10.5
57.07067	1.2
61.02916	1.9
65.03934	1.3
67.05508	34.5
69.03426	2.8
69.07074	9.3
69.17484	6.1
71.01340	0.6
71.04977	2.6
78.96606	0.6
79.05495	27.0
80.05806	0.6
81.03422	34.8
81.07060	34.5
83.04984	8.5
83.08157	0.9
83.08624	14.4
85.02905	13.9
85.06548	1.5
86.09668	0.6
91.03936	0.8
91.04912	0.8
91.05486	17.6
93.07047	26.2
95.04970	14.4
95.08611	25.6
96.08921	0.8
96.76246	0.6
97.02889	2.8
97.06541	3.0
97.10194	2.9
99.08073	1.5
105.04526	1.0
105.06316	0.7
105.07030	14.1
107.04954	2.6
107.08598	13.3
109.06500	2.7
109.10155	10.1
111.04445	1.9
111.08084	5.6
113.06008	1.1
117.07038	2.5
119.08585	11.7
121.06525	1.2
121.10147	12.8
121.32462	0.5
123.08099	1.6
123.11703	3.7
124.99955	0.6
125.09622	1.0
129.07031	4.4
131.08568	9.1
133.06479	1.7
133.10143	7.8
133.93164	0.6
135.11697	6.7
137.09624	0.9
137.13249	0.7
142.07730	1.3
145.10083	3.2
147.08054	1.7
147.11691	8.5
149.09645	2.8
149.13278	2.9
157.10150	7.3
159.11661	1.9
161.13297	1.8
163.11176	1.6
163.14838	0.9
165.12808	1.4
173.13255	1.4
175.11183	8.3
175.12567	0.8
175.14870	0.7
184.07416	0.9
187.14832	1.1
193.12247	23.2
195.30330	0.7
211.13298	28.0
212.13603	1.0
227.12804	1.8
243.20990	1.6
261.22137	5.4
267.15933	7.4
283.15448	1.3
285.16971	33.8
317.24637	1.2
335.25815	58.5
336.26190	1.8
352.64340	0.5
413.25534	0.6
429.58463	0.5
453.33859	1.1
505.94913	0.6
509.35941	0.9
527.37299	7.7
544.37079	0.9
545.38373	100.0
546.38995	2.8
563.39465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96689	0.9
53.03950	4.1
55.01867	2.5
55.05514	18.1
57.03201	1.3
57.03441	16.1
57.07065	1.4
61.02911	3.3
65.03919	3.1
67.05508	49.1
69.03435	4.0
69.06737	1.1
69.07073	13.0
70.91109	2.0
70.91465	1.3
71.04996	4.3
73.02898	2.5
79.05495	40.6
81.03421	54.5
81.07058	53.7
81.07484	0.8
83.04986	14.8
83.08156	1.4
83.08622	23.1
85.02905	23.3
85.06522	2.5
90.43501	0.9
91.03941	2.1
91.04909	1.5
91.05485	35.5
93.07046	42.9
95.04968	20.3
95.08607	34.2
97.02902	4.4
97.06525	4.2
97.10197	4.5
99.04462	1.0
99.08089	2.1
103.05513	1.0
105.07040	24.0
107.04952	6.0
107.08601	19.7
109.06505	5.9
109.10150	11.4
111.04430	2.0
111.08073	10.9
113.06003	1.4
113.47636	0.8
115.05443	2.5
117.07012	5.4
119.08592	23.3
121.06518	2.0
121.09345	1.2
121.10156	20.6
123.08107	4.1
123.11762	4.7
124.28328	0.8
125.09595	2.3
129.07007	9.0
131.08569	14.7
133.06500	1.3
133.10144	15.8
135.07986	0.9
135.11696	8.3
137.09639	3.0
137.13264	1.3
141.20476	0.9
142.07774	2.8
143.08553	1.5
145.10126	7.3
147.08040	2.3
147.11696	15.5
149.09644	6.9
149.13275	4.7
155.08612	0.9
157.10141	12.7
159.11705	3.6
161.13211	3.3
163.11192	1.9
163.14848	1.6
165.12750	3.1
171.11707	1.0
172.80858	0.8
173.13269	3.5
175.11200	12.6
175.14862	1.7
183.11606	1.0
184.07407	0.8
187.14799	1.8
193.12251	39.9
211.13293	70.0
227.12778	1.2
243.21077	3.2
261.19379	1.2
261.22101	9.0
265.86469	1.0
267.15875	15.5
283.15381	1.5
285.16962	80.3
286.17230	1.1
286.53253	0.8
301.25067	0.9
303.23441	0.8
309.24298	1.7
317.24854	2.0
335.25803	74.5
336.26337	1.1
400.82373	0.9
435.32349	2.4
453.33734	1.1
471.34570	1.1
517.35004	1.3
527.37384	13.5
545.38403	100.0
546.38568	3.3
717.54004	1.0
719.75293	1.0
735.60913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01872	3.3
55.05273	1.0
55.05518	15.8
57.03443	8.5
61.02924	2.5
65.03944	1.8
67.05510	19.3
69.03436	5.3
69.07075	8.1
69.53896	5.1
71.01336	1.3
71.04987	4.0
73.02927	0.7
76.10492	0.9
77.06081	0.8
79.05502	24.4
80.43055	0.8
81.03427	50.9
81.07066	24.3
83.04975	5.2
83.08625	15.8
85.02914	5.7
85.06551	1.7
86.06094	1.8
91.03991	0.8
91.04977	1.4
91.05493	18.4
93.07054	19.3
95.04982	20.1
95.08610	11.8
97.02895	4.0
97.06541	3.9
97.10181	14.0
99.08120	1.5
105.06413	1.2
105.07047	14.2
107.04959	17.9
107.08602	13.9
109.02903	0.9
109.06530	17.8
109.10154	6.8
111.04462	2.0
111.08069	4.9
115.05444	1.3
117.07014	5.1
119.08605	11.5
121.06520	13.6
121.10148	14.0
123.04420	1.0
123.08076	5.0
123.11736	2.1
125.06033	1.0
125.09638	13.9
126.10048	0.9
127.03903	1.1
127.11227	0.9
129.05547	0.9
129.07024	9.1
131.04942	1.4
131.08582	10.5
133.06517	4.3
133.10132	7.4
135.08051	6.3
135.11684	2.6
137.06010	1.5
137.09634	1.7
139.11169	3.1
141.07014	1.1
142.07805	1.4
143.08556	2.4
145.06517	5.0
145.10139	5.5
147.04414	2.3
147.08066	5.1
147.11705	7.5
148.12076	0.9
149.09616	5.1
153.09128	3.0
155.08650	2.1
157.06512	2.2
157.10141	8.4
159.08080	2.5
159.11713	2.0
161.06012	1.5
161.09654	1.6
161.13284	3.2
163.11214	3.5
165.12790	1.0
167.10687	1.9
169.10217	1.9
171.08078	2.2
171.10191	1.6
171.11641	1.4
173.09627	1.6
173.13290	3.4
175.11208	6.7
177.12711	1.3
185.09659	1.1
185.13277	1.5
187.14798	1.3
189.11250	4.9
189.12759	1.4
191.14342	3.9
193.12267	15.6
195.11754	1.2
195.13774	0.8
197.09596	1.4
197.13313	1.3
199.11249	1.1
201.12804	1.6
203.14330	1.0
205.12184	1.9
211.11354	1.2
211.13268	2.0
213.12946	1.1
215.14305	1.7
217.12256	1.2
219.13812	10.5
223.13347	1.3
225.12793	1.4
227.12791	3.0
233.15324	4.3
235.13335	1.1
237.12718	1.2
237.14891	0.9
241.14374	1.2
249.14859	1.4
255.13892	2.2
255.21078	2.5
256.21481	2.2
259.13260	1.4
259.15466	6.5
267.15939	41.6
273.14807	5.6
273.22180	1.7
274.22470	1.3
275.16669	1.1
293.17612	6.0
309.17154	1.3
339.23187	3.1
349.21710	4.4
357.24539	1.6
367.18417	1.2
367.22739	14.2
385.23718	19.1
403.24869	7.2
433.26059	2.0
435.27551	1.2
436.27560	2.6
441.26434	7.3
442.26523	0.9
446.82574	1.0
451.26968	4.1
459.27463	97.7
460.27441	2.2
477.28519	100.0
478.28964	2.3
491.30087	10.9
495.29654	7.9
501.28323	2.4
509.30963	3.4
567.29669	2.5
580.38617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01877	1.3
55.05514	13.8
57.03199	0.7
57.03441	8.5
57.07081	0.9
59.05012	0.5
60.19555	0.5
61.02917	1.7
65.03936	1.5
67.05510	28.9
69.03438	3.2
69.07070	7.5
71.04995	3.5
71.38634	0.7
73.02917	0.8
76.09917	0.5
79.05501	23.3
81.03425	36.2
81.07061	31.4
82.41390	0.6
83.04982	8.8
83.08624	16.6
85.02910	12.4
85.06544	1.1
89.37613	0.6
91.03940	0.9
91.05486	20.4
93.07051	25.8
95.04977	13.5
95.08611	19.8
97.02895	2.2
97.06521	2.9
97.09608	0.6
97.10156	3.4
99.04433	0.6
99.08118	1.1
105.07040	15.1
107.04953	2.6
107.08604	12.9
109.06509	2.7
109.10155	7.3
110.56934	0.6
111.04458	1.4
111.08089	5.9
113.06037	1.8
115.05461	0.8
117.07027	2.8
119.08593	11.8
119.09387	1.1
121.06562	0.7
121.10153	12.1
123.08081	2.0
123.11703	2.6
125.09615	1.2
128.06244	0.8
129.07027	6.2
131.08572	8.2
133.06480	1.4
133.10133	7.9
135.11693	5.3
137.09615	1.3
142.07771	1.7
145.10124	3.4
147.08089	1.8
147.11702	9.4
149.09653	3.5
149.13269	2.6
157.10149	6.3
159.11707	2.0
161.13261	1.7
163.11192	0.7
163.14894	1.3
165.12807	2.9
173.13249	1.4
175.11198	8.0
177.12679	0.7
184.07384	2.1
187.14861	0.7
193.10437	0.9
193.12250	27.9
211.13306	40.8
212.13713	0.7
227.12827	1.4
243.21129	1.5
261.22122	5.3
267.15976	8.2
283.15518	1.0
285.16980	37.1
301.25180	0.6
317.24820	1.5
335.25815	41.7
336.26166	1.3
356.13553	0.6
388.65903	0.6
435.32944	1.1
453.33392	1.2
471.34573	0.7
527.37323	8.6
545.38409	100.0
546.38965	3.0
742.43469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4416
Annotation	Timosaponin A-III
Peak:m/z	Relative Intensity
53.03950	1.1
55.01858	1.3
55.05509	3.2
57.03443	5.2
61.02930	23.4
65.03904	0.7
67.05513	6.0
69.03101	0.8
69.03435	12.3
69.07071	39.5
69.95301	1.7
71.04955	1.9
73.02579	0.6
73.02924	7.4
73.06558	5.0
75.64705	0.5
79.05498	6.2
81.03418	5.9
81.06599	0.7
81.07062	14.1
83.01332	1.0
83.08595	1.3
85.02910	46.7
85.06528	0.5
87.04449	1.6
91.03961	16.4
91.04530	1.1
91.05479	8.7
93.07049	8.6
95.04951	1.8
95.08610	10.1
97.02895	21.8
97.06541	10.2
97.10181	0.6
99.04433	2.4
99.08073	0.8
101.02384	0.8
105.07040	20.2
107.04945	0.9
107.08603	11.8
109.02890	4.5
109.06521	15.8
109.10155	6.0
111.08133	0.9
115.03904	1.9
115.07577	21.3
117.06992	3.2
118.65788	0.5
119.07828	0.8
119.08593	12.4
121.10149	8.3
123.08018	0.7
123.11683	2.4
125.09639	1.4
127.03921	10.6
127.11126	0.9
129.06952	1.1
131.08583	7.5
133.10146	10.6
135.11708	6.6
142.07925	0.6
143.08528	1.8
144.09258	0.6
145.04977	7.3
145.10130	16.6
147.11696	27.0
149.09514	0.8
149.13289	3.6
157.10088	1.7
159.11702	18.8
161.13260	68.7
162.13657	0.6
162.75360	0.5
163.06009	1.9
163.11198	1.1
163.14830	0.8
167.09354	0.9
167.10692	16.7
169.12204	0.8
171.11664	2.4
173.13274	13.0
175.14848	3.1
177.16382	0.8
185.13249	3.8
187.14806	1.9
189.16342	0.9
199.14862	4.4
201.16312	1.3
209.74120	0.5
211.09805	0.6
213.16341	2.8
214.17122	0.6
215.17943	1.4
227.17912	1.3
253.19582	0.6
255.21095	100.0
256.21466	1.7
257.22696	1.3
269.13797	1.1
273.22141	35.4
285.25772	5.3
381.31552	1.7
399.32495	3.8
417.33643	13.2
435.27457	84.5
436.27759	2.2
561.37671	1.4
579.38934	62.1
580.39032	1.5
705.41376	1.6
741.44238	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	741.4422
Annotation	Pentandroside D
Peak:m/z	Relative Intensity
53.03944	4.2
55.01864	4.2
55.05517	11.5
57.03443	8.8
57.07075	5.3
59.04994	1.2
61.02934	28.1
65.03946	2.0
66.07444	1.2
67.05511	48.4
69.03090	2.5
69.03438	35.2
69.07076	20.7
69.70120	2.3
69.70531	4.2
71.05000	9.1
73.02927	12.5
79.05504	19.7
80.24644	1.2
81.03429	14.5
81.07063	70.4
83.04983	3.9
83.08623	6.6
85.02913	100.0
85.06543	20.6
87.04465	3.2
89.26926	1.2
89.29128	1.2
91.03963	31.8
91.05482	21.0
93.07049	22.3
93.76315	1.3
95.04980	12.0
95.08610	21.2
97.02905	43.1
97.06523	3.7
97.10176	5.0
98.20787	1.9
99.04458	7.1
99.08091	7.1
103.05437	1.6
105.07046	35.4
107.08604	25.3
109.02905	7.9
109.06538	9.1
109.10165	63.5
111.08044	2.1
111.11721	3.1
113.06043	2.5
115.03940	3.9
117.07023	3.7
119.08587	19.8
121.10151	14.6
123.08117	2.2
123.11721	29.7
125.08776	2.5
125.09641	39.4
125.54074	1.7
127.03931	28.3
127.11206	31.3
129.06967	2.8
131.08606	9.3
133.10135	20.8
135.08046	1.9
135.11731	7.9
137.09641	1.9
143.08600	2.5
145.04968	35.7
145.10127	14.2
147.08101	1.3
147.11700	15.0
147.58858	1.3
149.09628	1.4
149.13272	5.7
151.11188	13.6
157.10117	4.6
159.08211	1.3
159.11699	16.6
161.13277	10.9
163.03922	1.9
163.06035	19.2
163.11172	1.5
165.12776	2.0
169.12260	19.8
171.11665	3.3
173.13260	6.6
175.11249	2.0
175.14857	3.5
183.11694	1.4
185.13194	3.5
185.15445	1.3
187.13379	1.5
187.14793	6.3
197.13213	1.4
199.14810	2.3
201.16420	1.7
203.17943	1.3
211.14937	1.9
213.16429	6.3
215.17972	68.7
216.18285	1.5
229.19661	2.0
231.17264	1.5
233.19051	10.7
239.17931	4.2
253.19591	3.1
255.21138	11.9
257.19131	1.6
267.15958	2.2
271.20602	3.1
273.22232	8.5
275.20120	3.8
283.24265	3.6
289.21603	1.5
301.25247	2.2
325.25287	1.8
360.66458	1.4
363.30399	3.1
378.34607	1.3
381.31509	18.9
399.32611	72.2
400.32864	1.8
417.33685	91.3
435.27335	5.1
462.29254	4.5
561.37848	2.5
579.39038	11.4
597.32770	1.5
723.42352	9.2
741.45050	52.3
742.44763	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	741.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01867	2.1
55.05498	2.3
57.03437	5.3
57.07075	0.5
61.02933	8.8
67.05232	0.6
67.05514	6.0
69.03431	18.7
69.07070	30.6
71.04991	2.9
73.02925	3.8
73.06560	4.5
79.05495	7.4
81.03423	10.7
81.07059	10.6
83.01343	1.0
83.04998	0.8
83.08626	2.1
85.02908	89.3
85.06532	0.6
86.03199	0.5
87.04468	2.2
91.03967	7.2
91.05477	7.3
93.07042	7.9
95.04977	1.7
95.08613	8.7
97.02896	29.8
97.06543	4.3
97.10145	0.6
99.04449	4.2
101.02377	0.5
105.07030	20.2
107.08588	8.7
109.02885	9.7
109.06547	1.3
109.10154	5.9
115.03938	1.5
115.07581	7.7
117.07022	4.1
119.08588	11.4
121.10144	7.5
123.11709	2.0
125.09654	1.9
127.03919	24.7
127.11226	1.0
129.07001	1.2
131.08554	6.3
133.10136	8.3
135.08125	0.5
135.11687	5.7
143.08554	1.6
144.09331	0.7
145.04964	33.9
145.10124	14.5
145.12201	0.8
147.11691	24.0
149.13286	2.4
151.11182	0.9
157.10161	2.0
159.11710	15.5
161.13264	45.5
163.06024	12.9
163.11244	1.1
163.14877	0.7
166.48820	0.6
167.10712	1.0
169.12178	0.7
171.11707	2.0
173.11772	1.0
173.13255	12.0
175.14833	1.8
185.13295	2.3
186.13998	0.9
187.14838	2.3
189.16394	0.9
199.14806	3.8
201.16493	1.2
213.16444	2.4
215.18005	1.1
227.17973	0.7
253.19493	1.4
255.21086	100.0
256.21533	2.0
257.22607	1.4
271.20621	0.9
273.22128	40.7
274.22531	0.7
285.22531	1.0
285.25592	4.5
289.09219	0.9
325.11362	2.5
325.59750	0.6
381.31656	1.5
389.71988	0.6
399.32608	6.2
417.26666	1.5
417.33560	9.8
435.27460	12.1
548.33240	0.6
579.39124	1.6
597.32660	28.7
598.33051	1.6
741.44312	23.4
742.44080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4413
Annotation	Curillin G
Peak:m/z	Relative Intensity
53.03950	2.8
55.01863	2.0
55.05517	5.1
57.03441	6.5
59.05005	0.6
61.02932	28.1
65.03937	1.0
67.05509	8.0
69.03433	15.8
69.07072	31.7
71.04997	3.0
73.02924	9.6
73.06563	5.8
79.05494	9.6
81.02985	0.9
81.03426	9.9
81.07069	14.3
83.01339	0.9
83.04990	1.1
83.08611	2.5
83.09046	0.7
85.02911	85.2
85.06501	0.7
86.09731	0.9
87.04491	2.7
91.03960	30.1
91.05482	10.1
93.07050	9.6
95.04983	2.5
95.08613	11.6
97.02899	37.6
97.06537	5.4
97.10177	1.0
98.21533	1.3
99.04475	4.9
99.08083	0.9
101.02416	1.2
103.03959	0.9
105.07040	22.5
107.08604	12.7
109.02876	7.6
109.06544	4.7
109.10149	7.1
115.03934	2.3
115.07577	7.1
117.05534	0.6
117.07018	4.7
119.08585	12.4
121.06485	0.7
121.10147	9.2
123.08075	0.7
123.11710	1.9
125.00031	0.8
125.09612	4.0
127.03926	27.0
127.11221	1.2
128.06244	0.7
129.07007	2.5
131.08583	7.8
133.10143	9.3
135.11693	6.5
139.11168	0.6
143.08575	2.6
144.09322	1.1
145.04965	31.2
145.10135	15.1
147.10501	1.2
147.11696	25.3
149.13239	4.5
157.10118	3.0
159.11710	16.1
161.13268	63.7
162.13617	0.7
163.06027	27.8
163.11186	2.4
163.14868	1.7
167.10733	2.7
169.10129	0.9
171.11702	2.0
173.13248	12.9
175.14848	2.2
177.16411	0.9
184.07402	2.4
185.13242	3.9
186.13934	0.7
187.14793	3.0
189.16458	1.5
195.11827	0.7
199.14867	3.4
201.16360	0.7
203.18138	0.6
211.14902	0.8
213.16420	2.4
215.17958	1.1
216.11566	0.6
227.18001	1.4
253.19670	0.6
255.21097	100.0
256.21515	1.7
257.22781	1.1
271.20572	1.0
273.22137	63.7
274.22482	0.8
283.15244	0.7
285.22928	0.8
285.25717	5.1
325.11154	1.4
335.25766	0.7
381.31680	2.7
399.32629	12.0
400.32681	0.8
417.27545	1.0
417.33682	28.9
417.63434	0.7
418.34006	0.6
435.27365	8.2
543.37225	1.2
579.39923	1.9
597.32776	22.0
597.42383	1.1
741.44269	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	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01883	2.5
55.05519	8.3
57.03434	3.7
57.07075	2.3
67.05508	20.6
69.07061	7.4
71.04987	1.8
79.05486	18.7
81.03412	2.5
81.07055	25.4
83.04965	2.9
83.08622	6.5
85.02934	2.5
91.05483	12.8
93.07045	24.8
94.99258	1.4
95.04974	3.6
95.08607	20.8
97.02908	1.7
97.06542	5.0
105.07047	10.3
107.04978	2.9
107.08602	13.2
108.02554	1.5
109.06569	2.0
109.10146	6.3
111.04485	1.8
117.07040	4.6
119.08575	8.4
121.06527	2.4
121.10165	15.0
122.10374	1.6
123.11736	1.5
127.84354	1.7
129.07014	1.7
131.08578	3.8
133.10124	8.4
135.11693	22.8
145.10129	12.6
147.11661	3.2
149.13203	2.6
159.11690	3.4
163.11188	23.2
181.12268	2.8
184.07436	3.0
215.18010	10.3
227.12793	48.3
233.19019	13.8
249.38115	1.6
269.17575	2.6
275.20123	2.0
283.15399	76.8
284.15573	2.0
293.20895	2.4
306.27991	3.2
307.22681	100.0
349.23871	2.0
515.33704	82.3
516.34082	3.8
543.36804	8.9
740.46155	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89121	0.4
53.03924	2.3
55.01871	2.9
55.05515	14.5
57.03441	10.4
57.07047	1.5
59.69782	0.6
61.02918	1.3
65.03918	2.0
67.05507	42.1
69.03413	1.5
69.07072	12.9
69.47359	3.7
71.05002	4.0
73.02895	1.3
77.03896	0.6
79.05495	40.0
81.03405	1.6
81.07059	45.3
83.04978	3.7
83.08167	0.7
83.08623	9.7
85.02882	1.6
85.06531	1.3
86.09713	0.7
86.45820	0.5
91.04924	0.7
91.05483	16.3
93.07045	53.8
95.04401	0.5
95.04977	7.9
95.08611	52.8
97.02885	4.3
97.06535	3.8
97.10148	2.1
98.20811	0.9
99.04456	3.9
99.08064	1.3
103.05458	1.1
105.04499	1.4
105.07038	11.8
107.04308	0.7
107.04972	8.9
107.08594	37.2
107.85814	0.5
109.06508	2.4
109.10161	12.9
111.04420	1.7
111.08052	1.8
113.06027	0.9
113.09638	0.6
115.05426	0.6
117.06248	0.8
117.07024	12.7
119.08585	14.4
121.06502	5.4
121.10148	21.4
122.10499	0.6
123.08031	1.4
123.11692	2.7
124.48611	0.5
125.06007	4.0
127.07479	0.6
130.07774	1.8
131.08572	4.2
133.10146	7.6
135.08034	1.9
135.11696	54.3
136.12048	0.6
137.09637	0.6
137.13235	0.7
139.07520	1.4
139.11157	0.6
140.92131	0.5
143.08539	1.2
145.10124	32.4
147.11703	2.4
149.13237	3.1
151.11111	0.6
151.14809	0.6
153.12700	1.4
159.11642	2.0
161.13245	1.8
163.11188	61.7
163.14818	1.7
164.11555	0.5
173.09595	1.1
173.13232	1.6
175.14880	0.8
181.12239	10.6
184.07375	1.2
187.14778	1.1
205.15927	0.5
209.11742	1.5
226.03445	0.5
227.12787	79.7
228.13036	1.0
243.21075	2.3
261.22156	8.7
283.15402	100.0
284.15720	0.9
306.27979	1.0
317.06619	1.0
317.24725	2.8
318.07074	1.2
335.25809	98.3
336.26230	2.1
469.33447	0.8
543.36823	90.7
544.37201	3.8
561.37506	1.0
579.21399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.7
54.14407	0.3
54.29484	0.4
55.01881	2.5
55.05513	12.5
57.03439	8.4
57.07050	1.7
61.02909	1.0
65.03945	2.1
66.49403	0.4
67.05506	38.3
69.03383	1.2
69.07067	10.3
70.89610	0.4
71.04989	2.3
71.08616	0.8
73.02876	1.1
77.03920	0.8
79.05495	31.6
81.03414	2.1
81.07056	39.7
83.04992	2.9
83.08622	8.2
84.66483	0.4
85.02878	1.0
85.06527	0.7
86.09679	1.1
87.03578	0.5
89.22561	0.4
91.05479	14.1
93.07044	44.2
95.04970	5.5
95.08607	43.3
96.08931	0.5
97.02908	2.7
97.06036	0.4
97.06537	3.9
97.10188	2.1
97.68814	0.4
98.21559	1.4
99.04443	2.2
99.08009	0.5
103.05418	0.7
105.04478	0.8
105.07034	9.5
107.04955	6.7
107.08598	27.7
109.06470	1.8
109.10155	10.2
111.04411	0.9
111.08038	1.6
113.09623	0.9
115.05397	0.5
117.06259	0.7
117.07019	8.4
119.08578	10.8
121.06518	4.0
121.10142	16.7
123.08043	1.1
123.11710	2.2
124.99959	0.6
125.05981	2.6
129.06923	0.6
130.07768	1.4
131.08577	4.7
133.10120	5.4
135.08023	1.8
135.11693	38.4
136.12007	0.8
137.09534	0.5
137.13190	0.9
139.07515	1.1
139.11139	0.7
143.08563	0.6
145.06519	0.4
145.10121	21.2
147.11655	2.6
149.13316	2.5
149.14323	0.6
153.12732	1.0
159.11627	1.6
161.13268	2.0
163.11185	44.1
163.14798	1.0
164.11505	0.5
165.12747	0.4
172.87311	0.4
173.09550	0.6
173.13281	1.9
175.14809	0.9
177.16379	0.5
181.12245	6.8
184.07335	4.0
187.14745	0.6
199.31149	0.4
209.11711	1.2
227.12779	47.2
228.13106	0.7
243.21130	1.9
261.22156	6.2
283.15399	53.4
284.15726	0.8
306.27798	0.7
317.24738	2.3
335.25793	100.0
336.26202	2.2
469.32993	0.4
503.77280	0.6
528.37292	0.6
543.36816	82.9
544.37012	3.2
561.37659	0.5
733.87134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01870	3.1
55.05265	0.6
55.05513	6.2
57.03194	0.5
57.03445	6.0
57.07075	3.0
59.04998	1.6
61.02929	19.0
65.03950	2.1
67.05508	24.1
69.03433	28.1
69.07072	10.4
70.06609	0.8
71.04991	4.9
71.08613	0.7
73.02919	5.6
73.68670	0.5
79.05495	10.5
81.03421	10.1
81.07059	59.2
82.07410	0.7
83.01343	0.9
83.04987	2.0
83.08624	4.5
84.08152	0.5
85.02908	68.0
85.06549	9.9
86.03232	0.6
86.09746	0.5
87.04484	2.9
91.03961	17.4
91.04534	0.9
91.05486	10.9
93.07048	12.2
95.04976	6.5
95.08610	16.6
97.02895	30.2
97.06541	3.7
97.10177	2.1
99.04469	4.5
99.08089	4.9
103.03938	0.7
105.04534	0.6
105.07034	18.0
107.04948	0.9
107.08593	14.0
109.02884	7.2
109.06533	5.6
109.10159	37.1
111.04420	3.1
111.08079	1.2
111.11758	0.9
113.06026	1.9
113.09667	1.1
115.03929	2.0
115.05482	0.6
117.05479	0.5
117.07025	3.8
119.08585	10.7
121.06527	4.1
121.10144	9.9
123.08081	2.6
123.11708	12.6
125.05969	1.0
125.09636	24.4
127.03919	19.0
127.11193	15.9
127.12136	0.8
128.06221	1.6
129.07016	4.1
130.07811	1.0
131.08575	14.3
131.09543	1.0
133.10143	11.7
135.08092	2.5
135.11682	3.8
137.09645	1.2
139.11182	2.8
141.06989	1.1
142.07794	3.1
143.08562	9.1
145.04965	20.3
145.10118	11.7
147.08003	1.0
147.11699	9.4
149.09604	2.6
149.13252	2.5
149.57478	0.5
151.11182	5.9
155.08517	3.3
156.09380	0.9
157.10130	22.6
158.10669	0.6
159.07956	0.8
159.11711	10.7
161.09624	1.5
161.13275	4.6
163.06029	8.4
163.11212	3.4
163.14801	0.9
165.12770	1.1
167.08543	0.8
167.10713	1.7
167.14383	1.0
169.10152	3.0
169.12247	12.8
171.11685	9.7
171.13287	0.6
171.13837	0.7
173.13274	4.0
175.11201	2.1
175.14825	0.9
177.12813	1.1
181.10092	2.2
181.12250	1.0
182.10921	0.9
183.11707	4.0
184.12503	0.6
185.09705	0.5
185.13277	4.5
185.15370	1.6
187.11247	0.6
187.14822	2.7
189.12825	0.7
189.16458	0.8
193.10162	0.5
193.12215	0.6
194.10980	0.5
195.11720	2.1
196.12462	1.3
197.13223	3.1
198.13994	0.7
199.14778	2.6
201.12764	0.8
201.16345	1.2
203.14395	0.5
207.11774	0.9
209.13260	2.1
211.14825	8.6
213.16383	44.3
214.16684	1.1
215.17976	8.3
216.86743	0.5
217.15559	0.5
223.14857	1.4
225.16371	1.2
227.17970	1.8
229.15892	3.1
229.19514	2.0
231.13942	0.5
231.17465	3.9
237.16454	2.9
239.17876	2.6
241.12207	0.6
249.16498	0.6
251.17932	2.9
253.19525	11.4
255.17455	2.4
255.21152	1.8
257.19409	0.5
263.17773	0.6
265.19534	1.1
267.16092	0.7
269.19073	2.0
271.20554	16.3
273.18549	1.8
273.21915	0.7
279.21097	1.1
281.22617	3.8
285.22278	0.5
287.19946	0.6
297.22226	1.7
299.23767	1.2
305.22589	1.3
311.23648	0.7
321.25906	1.0
323.23837	0.9
339.26849	0.9
361.28931	2.1
379.29968	21.0
380.29987	0.5
397.31027	100.0
398.31293	2.5
413.12335	1.4
414.12769	1.0
415.13046	1.6
415.32080	50.4
416.32318	1.4
475.27127	0.9
478.29239	0.6
492.26971	0.7
559.36206	1.2
577.30890	0.5
577.37610	5.2
618.50977	0.5
693.25818	0.6
721.42041	2.5
739.42590	52.5
740.42670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	2.7
55.01828	2.9
55.05464	7.8
57.03386	6.6
57.07022	2.4
59.04955	1.3
61.02928	19.0
65.03900	1.5
67.05505	23.7
69.03430	30.7
69.03770	1.5
69.07066	11.3
70.06559	1.2
71.04991	4.6
71.37879	1.2
73.02919	6.5
79.05500	11.5
81.03423	11.1
81.07056	53.7
82.07333	0.7
83.01284	1.0
83.04922	2.5
83.08612	5.0
85.02907	70.4
85.06549	10.3
87.04401	2.8
91.03954	19.0
91.05478	11.6
91.91730	0.6
93.07043	13.9
95.04965	5.4
95.08611	18.2
97.02891	33.3
97.06480	3.0
97.10121	1.5
99.04446	3.5
99.08096	3.7
101.02325	1.0
103.05442	0.7
105.07034	22.9
107.04910	1.5
107.08599	16.0
109.02885	6.6
109.06531	5.1
109.10159	39.4
111.04444	4.6
111.08033	1.6
111.11693	1.5
113.05938	1.3
113.09618	1.2
115.03866	2.2
115.07533	0.7
117.07021	4.3
119.08584	11.9
120.08029	0.7
121.06515	4.5
121.10135	10.4
123.08060	3.2
123.11712	11.9
125.05984	1.3
125.09632	21.5
127.03922	19.2
127.10338	1.2
127.11192	15.4
127.40345	0.6
128.06108	0.8
129.07010	4.4
131.08577	14.9
132.62488	0.6
133.10129	15.7
135.08009	2.1
135.11685	5.3
137.05884	0.7
137.09575	1.5
139.11203	4.4
141.06956	1.4
142.07811	3.3
143.08566	7.5
144.09294	0.7
145.04964	19.2
145.09096	0.8
145.10120	12.4
147.10699	0.9
147.11697	10.3
149.09575	2.7
149.13274	4.6
151.10152	0.7
151.11192	7.3
153.12712	0.8
155.08585	4.0
156.09337	1.4
157.10133	21.5
159.10489	1.0
159.11693	12.8
161.09573	2.4
161.10841	0.7
161.13251	6.2
162.06761	1.1
163.06024	9.8
163.11185	4.6
165.12694	1.6
167.03413	0.9
167.08549	1.3
167.10608	2.5
169.10056	2.8
169.12238	13.6
171.11681	10.6
173.13255	4.5
175.11177	1.6
175.14803	1.5
181.10033	2.0
181.12155	3.5
183.11729	4.2
185.13203	4.5
185.15181	1.2
187.10873	0.8
187.14801	2.4
189.12688	1.0
195.11597	1.6
196.12437	1.1
197.13298	3.8
199.14803	3.1
201.12743	1.0
201.16292	1.4
203.14265	0.7
209.13254	2.1
211.13115	0.8
211.14845	7.8
213.16389	47.1
215.14391	1.2
215.17958	12.0
223.14799	1.2
225.16277	1.8
227.17877	1.9
229.15955	3.0
229.19461	1.8
231.17438	3.8
233.18930	0.8
237.16455	3.9
239.17860	2.2
241.19426	1.0
251.18022	3.4
253.19514	11.9
255.17398	2.0
255.21033	4.3
257.19299	0.8
265.19492	0.9
267.15887	2.0
268.16248	0.7
269.18918	2.4
271.20557	18.9
273.18527	1.5
273.22260	1.7
279.20911	1.0
281.22598	3.5
283.20520	0.7
287.20154	0.7
297.22131	1.8
299.14838	1.4
299.23688	2.0
305.22574	0.8
311.23755	1.4
317.06558	1.3
323.23679	0.9
361.28937	2.3
379.29962	23.1
396.11411	1.3
397.31027	100.0
398.31464	2.3
413.12302	1.5
414.12570	1.4
415.13031	2.4
415.32074	50.3
416.32516	1.4
492.26926	0.9
553.13739	0.7
559.36493	1.4
577.37726	6.1
597.32813	0.7
721.41223	2.4
739.42584	65.2
740.42944	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	739.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01860	2.0
55.05503	4.6
57.03436	4.4
61.02929	26.7
65.03927	1.3
67.05505	10.7
69.03432	17.0
69.07069	40.0
70.06581	1.8
71.01366	0.6
71.04977	2.2
71.45601	0.5
73.02918	7.8
73.06556	5.3
79.05491	6.8
81.03425	7.7
81.06596	0.9
81.07057	14.5
83.04971	0.5
83.08614	1.9
84.08150	0.7
85.02905	51.2
85.06505	0.5
86.09707	1.4
87.04444	1.7
91.03954	21.0
91.05476	9.4
93.07047	11.2
95.04979	3.0
95.08605	8.8
97.02892	26.4
97.06537	9.6
98.20723	1.5
99.04456	2.6
99.08091	0.6
101.02356	1.5
105.07034	15.1
107.04954	1.3
107.07882	0.9
107.08591	15.4
109.02862	4.1
109.05801	1.0
109.06521	17.1
109.10162	17.2
111.04433	0.7
115.03923	1.9
115.05453	1.1
115.07571	22.5
117.05528	0.6
117.07014	5.1
119.04955	0.5
119.08581	8.4
121.06452	0.6
121.10148	19.7
123.08047	1.1
123.11695	2.4
125.09631	1.9
127.03922	11.8
127.11172	2.1
128.06200	1.3
129.06999	6.0
130.07797	0.8
131.08560	12.9
133.10133	18.8
134.10458	0.7
135.11685	6.7
136.07593	0.7
137.06027	0.8
137.09564	0.5
141.06966	1.7
142.07793	4.9
143.08551	10.4
144.09329	1.2
145.04964	9.8
145.10117	16.1
145.14836	0.5
147.11693	27.6
149.09601	1.2
149.13254	5.7
151.11191	1.4
155.08560	3.0
157.10127	50.1
159.11693	22.1
161.13261	9.2
163.06003	2.3
163.11180	1.2
163.14830	0.6
163.73521	0.7
167.10674	14.4
168.75766	0.5
169.10106	3.1
169.12265	0.8
171.11687	10.2
173.13264	7.1
175.11205	3.0
175.14812	1.5
181.10030	0.7
182.10927	1.2
183.11687	4.9
185.13287	4.8
187.14752	1.4
195.11703	1.1
196.12505	1.1
197.13254	9.3
199.14787	2.2
201.16353	1.4
211.14824	6.3
212.15533	1.0
213.16393	2.1
221.63918	0.5
221.65865	0.5
223.14847	1.2
224.15578	1.9
225.16371	4.4
227.18039	0.6
229.19572	1.0
230.40994	0.7
238.17111	1.1
239.17918	0.9
251.17917	2.1
253.19508	100.0
254.19861	2.1
255.21071	10.7
269.13754	1.2
269.19077	0.6
271.20557	58.1
272.20917	1.5
273.22198	2.8
283.24225	8.0
289.74643	0.6
317.89612	0.6
379.29883	3.5
397.31009	8.4
398.31390	0.6
406.13229	0.6
415.12979	0.7
415.32068	14.9
433.25854	39.2
434.25870	1.0
435.27429	4.1
559.36139	1.2
577.37372	56.7
578.37463	2.2
703.40314	1.5
739.42816	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01873	0.7
55.05518	2.3
57.03423	1.9
61.02933	17.4
67.05512	5.7
69.03099	0.4
69.03437	5.2
69.07074	35.2
70.06574	0.7
70.76447	1.3
71.01347	0.4
71.04962	0.8
73.02927	6.8
73.06558	5.1
79.05496	5.8
81.03391	1.8
81.07064	12.3
82.98223	0.4
83.01314	0.6
83.08604	1.9
85.02914	20.3
85.06492	0.5
86.03214	0.5
86.09697	0.8
87.04422	0.6
91.03436	1.0
91.03966	14.2
91.04987	0.6
91.05490	8.5
93.07048	7.8
95.04955	1.6
95.08057	0.7
95.08620	8.6
97.02899	22.4
97.06538	10.1
99.00812	1.1
99.04443	0.9
99.08067	0.7
101.02396	1.3
103.05426	0.5
103.10183	0.4
105.07040	23.1
107.08612	10.8
109.02897	0.9
109.06493	1.7
109.10165	7.5
111.11700	0.4
113.02388	2.6
115.03946	4.2
115.07578	28.8
117.07021	4.4
119.08598	12.2
119.09463	0.5
121.10144	8.4
123.11739	2.3
125.06013	1.0
125.09609	0.7
127.03927	4.4
129.07008	1.3
131.08574	6.3
133.10149	10.3
135.11705	6.6
137.13176	0.5
143.03465	0.6
143.08554	1.4
145.04987	3.4
145.10135	15.6
147.11702	29.3
148.11993	0.6
149.13280	3.5
151.11195	1.0
151.14792	0.5
157.10121	2.8
159.11707	20.0
161.04494	3.4
161.13269	70.7
161.20805	0.5
162.13594	0.6
163.06116	0.9
163.11195	1.2
163.14824	0.8
165.12836	0.5
167.10681	1.5
171.11705	2.0
173.13281	11.6
175.14828	2.0
185.13287	3.1
187.14882	2.4
189.16423	1.0
199.14830	5.2
201.16423	1.0
213.16409	3.4
227.17953	1.5
236.15189	0.5
253.19569	1.2
255.21103	100.0
256.21533	1.5
259.11841	0.6
271.20764	0.8
273.22153	36.1
274.22406	0.9
285.25793	2.1
299.86276	0.4
322.95233	0.6
369.09653	0.5
381.31744	0.9
399.25574	0.5
399.32538	2.3
415.32397	0.6
417.33841	2.9
427.32443	0.7
435.27472	81.0
436.27841	2.5
561.38055	1.4
577.37451	3.2
579.38885	6.4
589.37231	0.8
674.09161	0.5
721.40887	0.6
739.42706	28.1
740.42725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59538	0.2
53.03951	0.5
55.05515	1.0
56.05033	0.7
56.21092	0.2
57.03445	1.3
57.07079	3.3
58.06605	0.3
59.07380	0.2
60.08168	5.8
67.05508	2.3
69.03459	0.2
69.07069	1.3
69.17475	1.9
71.05009	0.2
71.07378	3.0
71.08633	2.4
78.85903	0.1
79.05499	2.4
79.12594	0.2
81.03422	6.0
81.07064	2.5
83.04989	0.7
83.08622	2.0
85.02875	0.2
85.10193	1.5
86.09710	26.7
87.10060	0.2
91.05475	1.9
93.07067	1.6
95.04969	2.0
95.08617	2.1
97.02862	0.2
97.10180	0.6
98.98479	2.5
99.11774	0.2
104.10751	2.2
105.07036	1.5
107.04945	0.4
107.08613	0.8
109.06530	0.3
109.10176	1.2
110.93831	0.2
111.08109	0.6
117.07072	0.3
119.08593	1.1
121.06525	0.2
121.10162	1.0
121.24012	0.2
123.11727	0.3
125.00011	18.7
129.07002	0.8
131.08600	0.8
133.06511	0.3
133.10149	0.6
137.13300	0.2
145.10182	0.3
147.08018	0.3
147.11711	1.3
149.09618	0.5
157.10121	0.9
159.11687	0.3
165.12727	0.2
171.11743	0.3
175.11220	0.7
184.07347	100.0
185.07729	0.3
193.12242	2.8
207.13757	0.4
215.17880	0.3
233.18991	0.3
239.12866	0.3
267.15918	10.2
268.16241	0.2
281.17545	1.8
285.16879	0.2
307.22705	2.2
309.16873	0.3
313.27377	10.0
375.18469	0.2
505.38925	8.4
513.35852	5.1
523.39252	0.2
525.18121	0.2
547.40100	0.3
597.48340	0.3
688.45490	9.9
689.45538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01882	2.5
55.05515	4.9
57.03442	4.0
57.07072	2.7
59.05003	1.1
59.16686	0.4
61.02930	15.9
65.03944	1.5
67.05508	23.1
69.03433	22.8
69.07072	9.6
69.53893	2.9
70.06570	1.0
71.01315	0.5
71.05006	4.1
71.08672	0.4
73.02921	5.2
79.05496	9.9
81.03422	7.6
81.07059	57.1
83.01327	0.6
83.04969	1.5
83.08618	4.5
85.02908	55.6
85.06550	11.0
87.04465	1.9
91.03961	14.6
91.04538	0.8
91.05483	7.8
92.05746	0.4
93.07048	10.2
95.04972	5.5
95.08613	14.3
97.02895	24.3
97.06538	1.6
97.10178	1.8
99.04446	3.6
99.08095	4.2
100.13221	0.4
101.02414	0.7
103.03915	0.7
103.05466	0.6
105.07038	16.9
107.08598	10.7
109.02879	5.6
109.06525	4.1
109.10162	36.1
110.10466	0.5
111.04489	0.6
111.08084	1.1
113.09640	1.0
113.73395	0.4
115.03934	1.6
117.05499	0.5
117.07026	3.8
119.07800	0.8
119.08588	7.7
121.06530	1.1
121.10155	6.5
123.08072	2.0
123.11710	13.4
125.09634	20.0
127.02974	0.8
127.03923	16.4
127.11202	15.2
128.04358	0.4
128.06230	1.2
129.07014	4.2
131.08575	11.7
133.06415	0.6
133.10138	11.0
135.08081	1.4
135.11705	3.0
137.09648	0.6
137.13382	0.4
139.11183	1.3
141.06982	1.6
142.07779	2.8
143.08565	8.6
143.09676	0.4
144.09319	0.5
145.04965	17.7
145.10136	9.2
145.11299	0.6
147.08070	0.6
147.11693	8.1
149.09590	1.7
149.13251	2.8
151.11195	6.0
153.12808	0.6
154.07813	0.6
155.08572	3.1
156.09309	0.9
157.10139	21.4
159.07988	0.8
159.11705	8.3
161.09642	1.4
161.13293	3.4
163.06039	7.7
163.11195	1.4
163.14854	0.9
165.09102	0.8
165.12744	0.5
167.08574	0.6
167.14342	0.8
169.10155	3.3
169.12250	12.8
171.11693	9.4
171.13840	0.6
173.09732	0.8
173.13232	3.0
175.11195	1.1
175.14842	1.2
181.10062	2.0
182.11011	0.6
183.11702	3.2
184.12430	0.5
185.13275	4.6
185.15385	1.6
187.11133	0.8
187.14851	1.9
189.12737	0.7
193.10138	0.5
193.12177	0.4
195.11731	2.4
196.12518	1.6
197.13245	2.6
198.14037	0.5
199.14905	2.7
201.12697	0.6
201.16437	1.4
207.11765	0.6
209.13306	1.5
211.14844	8.4
213.16394	48.0
214.16666	0.7
215.14371	0.8
215.17949	0.8
217.73149	0.4
221.13148	0.5
222.14075	0.6
223.14885	1.0
225.16382	1.3
227.17963	2.1
229.15909	3.0
229.19612	1.3
231.17473	4.6
235.14729	0.8
237.16382	2.9
239.17984	2.4
241.19531	1.0
249.16400	0.6
251.17934	3.2
253.19533	8.9
255.17470	1.9
255.21123	0.9
263.17969	0.8
265.19611	0.7
267.15918	0.5
267.21140	0.9
269.19064	2.3
271.20584	17.6
273.18564	1.3
275.20187	0.7
279.21075	1.0
281.22580	3.7
283.20535	0.7
287.20197	0.9
297.22189	1.2
299.23706	1.0
305.22610	1.0
309.22110	0.5
309.25522	0.5
311.23801	1.0
321.25626	0.7
323.23840	1.4
337.25177	0.7
341.44009	0.5
361.29034	2.9
379.29962	20.8
397.31033	100.0
398.31293	2.7
415.32092	49.2
416.32452	1.1
559.36267	1.1
577.29620	0.4
577.37506	4.9
721.41095	1.4
739.43011	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	738.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01872	1.9
55.05514	11.9
57.03444	6.1
57.07081	1.2
60.05643	0.9
61.02927	1.1
65.03939	2.0
67.05508	43.7
69.07072	10.0
69.18118	3.9
69.18546	3.1
71.04984	1.9
71.33589	0.8
73.06532	0.7
74.09724	0.7
74.94103	0.8
75.08112	0.7
79.05499	47.3
81.03425	4.3
81.07062	35.7
83.04987	7.2
83.08617	6.2
85.06541	1.4
86.87063	0.7
87.04451	0.8
91.04907	1.2
91.05490	32.0
93.07050	48.6
95.04971	11.0
95.08614	28.4
97.06530	4.4
97.10190	2.3
99.08096	0.9
105.04524	1.6
105.07039	23.8
107.04977	3.7
107.08604	16.1
109.06551	3.4
109.10162	7.8
111.08117	1.6
117.07024	7.7
119.08593	16.2
121.06499	1.5
121.10164	8.2
123.08105	2.8
123.11696	1.5
125.09666	0.9
127.07481	0.9
129.06990	9.3
131.08598	5.0
133.10133	8.4
133.49432	0.9
135.11708	5.1
143.08571	5.2
145.10133	7.2
147.08084	1.6
147.11697	20.1
147.12817	1.3
149.13240	2.0
151.11299	0.9
159.11739	2.8
161.09659	2.2
161.13249	7.8
170.28857	0.8
171.11696	11.9
173.13315	2.0
175.43581	0.7
180.84210	0.7
184.07397	1.7
189.12746	5.3
207.13812	16.6
239.12714	1.0
243.21126	1.8
261.22144	4.1
279.15985	2.7
281.17499	43.6
282.18106	0.8
313.27411	1.1
317.24808	1.3
335.25812	42.3
336.26511	0.8
467.35336	1.0
482.67752	0.8
521.38318	1.1
541.38940	100.0
542.39240	3.4
559.39630	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	738.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.05035	0.7
57.03445	0.2
57.07081	0.8
57.07332	0.1
58.06634	0.5
59.07388	0.1
60.04340	0.1
60.08166	5.8
67.05512	0.4
69.07080	0.2
69.73828	0.2
69.74236	0.5
71.07378	3.1
71.08628	0.3
79.05469	0.2
81.03419	1.3
81.07057	0.4
83.08631	0.4
85.10200	0.4
86.09711	27.5
87.10046	0.1
91.05502	0.3
93.07048	0.2
95.04981	0.4
95.08611	0.4
98.98473	3.0
100.59487	0.1
104.10752	2.1
105.07027	0.2
107.08593	0.2
109.10229	0.2
111.08066	0.2
119.08624	0.2
120.67706	0.1
121.10159	0.2
125.00013	18.2
131.08600	0.1
133.10139	0.1
143.01059	0.1
157.10139	0.2
184.07349	100.0
185.07675	0.5
193.12286	0.5
239.23738	0.1
267.15906	1.7
305.83902	0.1
313.27393	1.9
496.34189	0.2
505.38904	1.7
560.83887	0.1
573.95471	0.1
688.45502	10.6
689.45062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.3
53.03939	3.7
55.01870	4.2
55.05514	15.0
57.03198	1.0
57.03442	13.9
59.04988	2.2
61.02923	2.3
65.03930	1.8
65.13719	0.9
67.05177	1.5
67.05508	21.8
68.04969	1.2
69.03426	5.6
69.07077	6.5
70.06596	33.1
71.04978	3.4
71.53195	1.5
73.02901	2.0
77.80919	0.9
79.05495	20.4
81.03420	74.5
81.07059	22.7
82.07323	1.1
83.04992	7.2
83.08147	1.8
83.08617	23.8
84.08147	4.3
85.02907	5.4
85.06522	2.4
86.09711	2.1
91.03936	1.4
91.05484	28.3
93.07044	19.9
95.04967	26.8
95.05563	1.6
95.08608	8.2
97.02898	7.2
97.06528	5.9
97.10173	9.5
99.00815	11.3
99.04464	1.5
99.08071	1.0
103.05474	2.0
105.07034	26.1
107.04958	12.1
107.08592	12.7
109.02882	11.6
109.06492	7.2
109.10153	7.5
111.04428	2.7
111.08101	11.0
113.06053	1.2
117.07028	5.2
119.04990	1.8
119.08591	18.5
120.08111	3.4
121.06522	9.5
121.10116	6.9
123.04411	1.9
123.08046	3.5
123.11673	2.4
125.09672	7.3
127.03936	1.7
128.06236	2.1
129.07014	9.2
130.06544	15.0
131.04898	1.1
131.08566	9.3
133.06482	2.8
133.10141	28.1
135.08020	3.8
135.11684	2.2
137.05946	1.1
137.09586	2.7
139.07545	2.1
141.06932	1.3
142.07779	3.3
143.08588	4.7
145.06497	3.3
145.10139	4.1
146.09644	3.5
147.08011	3.6
147.11720	6.8
149.09673	6.2
151.11227	8.5
153.09039	1.9
157.10136	10.7
159.11670	1.8
161.09627	15.3
163.11195	3.6
165.09123	1.3
169.10036	1.3
171.08052	3.9
173.13216	2.0
174.09154	12.0
175.11188	8.4
179.10674	9.2
186.12712	1.1
189.09135	8.4
189.11009	4.7
191.14267	1.8
193.12247	23.9
197.11745	2.1
197.64331	1.2
202.08635	1.7
205.12263	1.3
207.10202	3.0
211.13297	3.6
213.16219	1.3
217.11961	1.0
219.13771	7.8
225.11188	9.1
227.12733	4.3
233.15433	1.3
243.14931	1.0
249.14850	2.0
267.15927	97.0
268.16245	1.9
271.14423	6.0
281.13861	6.3
283.15646	2.1
285.16956	2.0
299.14883	62.5
309.16772	1.7
327.05069	1.2
367.22641	2.7
371.22049	1.3
381.20569	1.3
385.23682	4.4
389.22961	2.6
395.19495	2.4
397.31406	1.2
399.21350	1.9
403.24799	1.2
413.12103	4.6
414.12769	6.9
415.32104	1.5
433.25635	1.1
433.85614	1.2
441.26398	2.6
445.25702	7.7
455.23770	1.4
459.27423	23.9
463.26907	6.8
473.25363	30.4
477.28497	22.1
478.28922	1.4
491.26331	100.0
492.26758	3.2
505.28091	1.3
509.26523	4.7
530.25714	1.4
533.27454	3.2
558.30804	1.5
591.28058	1.6
617.29865	1.2
692.34027	1.4
710.35065	1.9
720.33533	3.3
738.34686	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	737.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01868	7.7
55.05269	2.7
55.05513	33.4
57.03438	9.6
57.07065	3.1
61.02928	18.2
65.03931	3.1
67.05506	55.7
69.03101	2.3
69.03423	13.0
69.07066	19.2
71.04993	12.8
71.52316	3.3
73.02925	11.0
79.05493	46.2
81.03417	17.5
81.06590	3.4
81.07057	57.0
83.04984	7.2
83.08621	16.5
85.02897	19.8
85.06538	5.6
91.03958	9.5
91.05488	40.9
93.07051	50.8
93.07636	2.9
95.04969	8.8
95.08607	40.2
97.02894	14.6
97.06531	8.1
97.10162	16.1
99.04472	2.4
99.08106	6.6
103.05500	2.6
105.04529	1.7
105.07040	43.8
107.04951	7.2
107.08585	29.4
109.02893	3.7
109.06528	6.4
109.10165	21.6
111.04438	2.9
111.08079	5.1
115.05437	5.3
117.07025	27.0
119.08581	35.4
121.06527	4.5
121.10143	24.1
123.08083	6.6
123.11727	5.3
125.09619	12.3
127.03909	4.8
128.06206	4.7
129.07007	22.2
130.07680	2.4
131.04942	2.1
131.08571	34.3
133.06543	3.7
133.10120	20.8
135.08041	7.1
135.11714	11.4
137.09592	2.5
137.13205	2.0
139.11154	2.1
141.06964	5.7
142.07776	4.7
143.08568	23.2
145.05029	1.9
145.06439	3.8
145.10127	30.9
147.08054	6.8
147.11687	12.8
149.09627	6.6
149.13211	3.7
153.09154	3.0
154.07834	2.6
155.08557	16.4
157.10156	22.9
159.08043	3.1
159.11694	22.8
161.09636	4.0
161.13251	5.7
163.11200	4.4
167.08588	6.6
169.10149	17.5
171.11679	20.8
173.09680	4.5
173.13281	12.2
175.11195	8.2
177.12807	3.3
179.08589	3.3
181.10101	9.0
183.11707	13.3
185.09692	2.7
185.13261	12.8
187.11200	5.3
187.14777	4.7
189.11212	6.3
189.12701	2.4
193.10222	2.5
193.12230	4.7
195.11681	10.6
197.13266	8.4
199.11200	3.4
199.14870	6.0
201.12914	1.9
207.11662	4.7
209.13275	9.7
211.14874	5.3
213.16422	2.1
221.13313	5.4
223.14833	4.9
225.16420	2.7
227.12749	13.6
237.16464	2.6
247.16945	2.6
255.17400	3.7
259.20566	2.8
267.15738	4.7
273.18295	6.0
275.20041	4.7
283.20633	5.4
285.22116	4.3
291.19629	7.4
297.22003	2.5
299.20111	3.5
299.23694	9.1
301.21741	2.8
307.20505	2.8
313.21542	2.2
315.23068	1.9
321.22021	2.5
339.23108	2.3
349.23871	2.8
359.25641	2.0
365.23312	2.5
415.29865	5.8
421.25571	4.6
423.32620	3.4
429.20984	2.4
433.30896	14.8
443.27969	7.4
451.32242	17.0
461.28931	3.3
465.33478	2.8
469.33130	7.3
483.35165	2.4
489.33084	2.7
499.34186	3.2
507.34613	8.7
517.35138	17.4
525.35742	91.7
526.35883	4.5
539.37518	3.8
543.36823	100.0
544.37152	3.8
557.38684	22.0
567.37030	2.1
575.39673	38.7
651.38507	3.2
687.40637	5.5
705.41339	3.4
719.40649	6.0
737.40338	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	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87941	0.3
53.03939	1.6
54.49312	0.3
55.01882	1.8
55.05519	3.1
57.03439	3.7
57.07083	0.7
59.05003	0.7
61.02929	8.6
65.03944	0.8
66.24588	0.2
67.05508	4.7
69.03432	13.4
69.07072	3.9
69.16241	1.8
69.16667	0.7
70.06604	0.6
71.01345	0.6
71.04993	2.3
73.02920	3.0
79.05494	5.3
81.03425	5.2
81.07058	18.5
83.01335	0.4
83.04992	2.2
83.08611	1.4
85.02909	26.6
85.06538	1.7
87.04472	2.3
91.03963	6.4
91.05479	5.8
91.06017	0.4
93.07047	7.0
95.04967	2.3
95.08614	7.2
95.25655	0.2
97.02895	14.8
97.06542	4.0
97.10173	0.6
99.04462	2.4
99.08106	0.7
101.02406	0.6
103.03967	0.4
103.05477	0.4
103.81205	0.2
105.04533	0.4
105.07033	7.8
107.04970	0.8
107.08595	6.2
109.02884	3.4
109.06517	2.9
109.10162	3.4
111.04452	5.8
111.05215	0.3
113.06013	2.1
113.09661	0.7
115.03957	1.0
115.05471	0.5
117.07024	1.9
119.08588	3.7
119.09364	0.3
121.06512	4.5
121.10146	5.2
123.08046	2.6
123.11732	0.9
125.05998	2.4
125.09638	4.9
127.03922	7.7
127.04817	0.4
128.06268	1.1
129.07021	2.6
131.08565	6.5
133.10139	4.5
135.08054	1.5
135.11691	2.0
137.09648	0.4
137.13219	0.5
139.11188	4.6
141.06996	0.8
142.07773	2.0
143.08566	5.5
144.09361	0.4
145.04970	4.3
145.10127	6.5
147.08043	0.5
147.11673	3.1
149.09634	2.7
149.13260	0.7
151.11195	1.0
153.12762	0.3
155.08594	1.5
156.09380	0.6
157.10135	10.6
159.08047	0.6
159.11708	3.6
161.09593	0.5
161.13292	0.7
163.06062	0.9
163.11197	4.8
165.12784	1.9
167.03474	0.6
167.08609	0.5
167.10696	2.9
168.09346	0.5
169.10147	1.7
169.12263	0.8
171.08089	0.3
171.11700	5.2
173.09679	0.6
173.13231	1.3
175.11185	0.7
177.12807	0.6
181.10176	1.1
181.12280	3.1
183.11705	1.7
184.12648	0.3
185.13263	2.2
187.11272	0.5
187.14877	0.8
188.80293	0.2
193.12389	0.5
195.11752	1.8
195.13570	0.4
196.12566	0.9
197.13229	1.3
198.13936	0.4
199.11302	0.2
199.14888	1.0
200.04729	0.3
201.12990	0.3
201.16522	0.3
209.13243	1.3
211.14824	3.9
213.16394	18.6
215.14299	0.3
215.17953	0.5
221.13269	0.4
223.14864	0.9
225.16397	0.4
226.19556	0.2
227.18031	0.7
229.15924	0.8
229.19514	0.7
231.06505	0.5
231.17538	0.8
235.14899	1.1
237.16444	0.8
239.18004	0.5
247.14987	0.3
248.53236	0.3
249.16519	0.4
251.17935	5.0
253.16046	0.4
253.19621	0.5
257.19116	0.3
259.06128	0.6
267.15942	0.5
269.19022	1.7
271.05853	0.3
271.20724	0.6
272.06451	0.2
279.21158	0.8
280.10675	0.2
283.06274	0.3
287.05612	0.9
295.20615	0.3
297.22241	1.0
299.05811	0.6
299.14908	0.5
307.20950	0.3
313.07220	1.1
315.04977	1.5
317.06720	0.9
327.05042	3.2
339.08932	0.5
341.10266	0.3
369.09665	3.0
377.28287	2.5
395.29474	9.6
396.29666	0.3
413.12344	19.7
413.30450	5.3
414.12860	0.9
557.35016	0.6
575.35541	1.7
719.40131	2.0
737.41058	100.0
738.41302	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	737.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
53.62357	0.5
55.01868	1.0
55.05509	2.0
56.66084	0.5
57.03437	2.4
61.02937	4.0
67.05508	5.4
69.03430	2.6
69.07082	2.1
71.04987	0.7
72.26179	0.5
73.02921	2.6
73.30441	0.5
79.05511	3.6
81.03420	5.7
81.07062	3.6
83.08623	1.8
85.02910	4.0
91.03967	2.4
91.05482	4.7
93.07067	4.4
95.04983	1.9
95.08605	3.1
97.02893	3.5
97.06540	1.8
101.02406	1.8
105.07053	2.1
107.08629	1.6
109.02929	0.8
109.10174	2.1
111.08089	1.1
117.07030	0.6
119.08586	2.8
121.06538	1.4
121.10132	1.6
125.09653	0.7
127.03967	1.6
131.08559	0.7
133.10114	1.1
135.11728	0.9
137.09625	1.2
139.07570	0.6
145.10098	0.8
146.46442	0.6
147.08121	0.9
159.11729	0.7
165.09135	1.9
174.13994	0.7
195.46341	0.6
241.10503	1.1
243.08536	2.5
252.47267	0.6
275.19836	0.6
309.17490	0.6
335.25967	0.9
415.15735	4.9
441.17343	3.0
459.18497	4.8
519.29358	5.6
591.31311	0.7
693.37610	1.2
705.16693	0.6
719.40161	2.2
737.40814	100.0
738.41583	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01846	0.6
55.05508	2.8
57.03444	3.2
60.07132	0.4
61.02933	21.5
61.03223	0.7
65.03909	0.6
67.05511	8.4
69.03436	5.0
69.07074	34.6
70.06556	1.6
71.01328	1.0
71.04950	0.9
71.52191	0.6
73.02917	6.9
73.06556	5.2
79.05497	7.0
79.18591	0.4
81.03425	2.1
81.07066	11.2
83.08595	1.1
84.08147	0.6
85.02912	22.6
85.06518	0.5
87.04440	1.3
90.86162	0.5
91.03963	15.0
91.05487	8.9
93.06509	0.6
93.07048	10.3
94.28123	0.5
95.04943	1.6
95.08082	0.5
95.08614	6.9
97.02899	24.7
97.06538	10.1
97.10100	0.4
99.04432	1.4
99.08073	1.3
101.02350	1.8
103.03908	0.6
105.07038	12.9
107.08605	12.7
109.02845	1.6
109.06484	1.9
109.10168	14.6
111.08008	0.5
113.02374	2.2
115.03951	4.3
115.05416	1.0
115.07578	25.1
117.05493	0.5
117.07033	4.3
119.08580	7.4
121.10154	15.2
123.11724	2.9
125.02335	0.6
125.06017	0.8
125.09594	1.3
127.03939	4.0
127.11202	2.3
128.06201	1.5
129.07024	6.3
130.05008	0.5
131.08585	12.7
133.10144	16.8
134.62837	0.4
135.11702	3.8
141.06972	2.1
142.06784	0.6
142.07796	6.6
143.03322	1.2
143.08571	9.9
144.09344	0.9
145.04985	4.1
145.10136	13.7
145.12184	0.7
145.30450	0.4
147.11697	22.1
149.13278	5.3
151.11142	0.8
151.64857	0.5
155.08562	3.1
156.09375	0.6
157.10143	49.2
159.11700	19.4
161.04501	4.3
161.13301	4.5
163.05949	0.5
167.03444	0.7
167.10660	1.2
169.10089	2.6
171.11707	10.5
173.13306	5.2
175.11174	1.8
175.14841	1.3
177.12656	0.6
182.08951	0.4
182.10811	0.4
183.11732	4.3
185.13301	4.1
187.14781	1.0
195.11566	0.8
197.13272	7.6
198.14001	0.6
199.14851	1.4
201.16400	0.5
209.13364	0.9
211.14832	5.8
212.15833	0.5
213.16460	1.2
215.17746	0.7
223.14856	0.7
224.15559	2.4
225.16371	3.4
238.17168	1.5
251.17975	1.8
253.19531	100.0
254.19862	1.8
255.21126	2.4
269.04813	0.5
269.19016	0.5
271.20584	51.8
272.20856	0.6
283.24222	5.1
293.54077	0.5
317.06802	0.8
369.09750	4.6
369.91977	0.4
379.29816	2.1
391.03412	0.6
395.11221	1.0
397.24069	0.5
397.30975	3.0
413.12363	6.1
415.24606	0.5
415.32117	2.0
433.25912	29.1
434.25891	0.6
517.31647	0.5
557.34967	1.0
559.36230	1.5
575.35858	0.6
577.37317	5.9
587.36322	1.1
619.16443	0.6
737.41113	24.0
738.41180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03944	4.1
53.94357	0.7
55.01879	3.2
55.05517	11.0
57.03440	12.9
57.07082	1.7
65.03944	1.4
67.05508	38.4
69.03445	2.4
69.07075	12.5
69.81718	4.0
71.01358	1.3
71.05000	2.8
75.37629	0.7
79.05020	0.8
79.05497	28.5
81.03424	100.0
81.07063	37.5
83.04984	4.3
83.08627	6.3
85.02914	2.3
85.06561	1.6
91.05488	30.1
93.07048	30.8
93.07645	1.7
95.01379	1.0
95.04980	5.3
95.08616	35.8
96.08968	1.2
97.02907	1.7
97.06545	5.5
97.10185	2.8
99.08109	1.7
103.04012	0.8
103.05527	0.9
105.07037	13.8
105.07700	1.1
107.04961	1.9
107.08604	17.6
109.06529	2.7
109.10167	14.6
111.08096	2.7
115.05448	1.0
117.07038	7.1
119.08593	28.4
121.06519	7.5
121.10154	14.1
123.04503	1.5
123.08078	4.7
123.11713	3.3
125.06052	2.1
129.07054	4.2
131.08578	10.7
132.13264	0.8
133.10139	9.4
135.08081	3.1
135.11713	8.3
137.09634	18.9
137.13222	0.7
139.07574	1.0
143.07083	3.2
143.08554	1.4
145.05022	1.2
145.06496	1.0
145.10158	7.6
147.08078	8.7
147.11668	5.0
149.09677	1.6
149.13274	4.5
155.08571	1.2
157.10176	3.1
159.07993	1.0
159.11707	7.1
161.09644	0.8
161.13254	4.0
163.07587	2.0
163.11249	1.9
163.14851	2.5
165.09132	20.5
165.12848	0.8
167.10680	1.8
169.10146	1.4
171.10397	0.8
171.11760	2.9
173.09741	1.2
173.13229	4.8
173.74577	0.8
175.11177	1.0
175.14876	2.6
177.09123	0.9
177.12796	0.9
178.57190	0.7
179.14296	0.8
183.10210	1.1
183.11819	1.8
184.32333	0.7
185.11807	1.0
185.13368	2.2
187.14899	2.2
189.16412	1.3
197.13313	1.7
199.09708	3.6
199.14928	1.3
201.16467	2.0
207.10231	1.0
207.13879	1.2
211.15057	1.0
213.16478	1.0
219.13806	0.9
221.15414	0.9
233.15492	1.0
239.12794	63.8
240.13242	1.2
243.21211	3.2
257.13983	2.6
259.15247	0.9
259.20667	1.7
261.22177	9.6
271.20746	0.9
279.23187	1.2
281.13916	2.7
284.15509	1.1
285.22330	1.0
287.23758	1.4
299.23575	1.0
301.25351	2.1
303.23096	1.0
307.22922	0.9
317.24844	3.1
327.23242	1.5
333.24460	1.5
335.25830	45.7
336.26379	1.0
345.24344	1.1
359.25980	1.0
375.21771	1.1
379.30084	1.2
389.23566	1.1
389.28259	1.2
397.31396	1.2
401.27081	2.1
407.29364	6.2
425.30591	7.8
443.31693	2.6
481.33182	2.9
499.34222	43.8
500.34897	1.6
515.33655	1.0
517.35297	41.7
518.36023	1.0
535.36249	6.8
541.35480	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	733.3618
Annotation	Manassantin A
Peak:m/z	Relative Intensity
53.03953	0.7
55.01864	0.3
55.05493	0.6
57.03432	1.5
59.05003	1.2
61.02932	3.7
61.89957	0.3
67.05517	2.2
68.82888	0.3
69.03436	3.2
69.07082	0.9
69.77927	1.0
69.78320	0.7
70.06583	0.7
71.05000	1.4
73.02915	2.7
73.43694	0.4
78.25579	0.4
78.91191	0.4
79.05496	2.1
81.03419	8.3
81.07073	2.4
83.04972	0.6
83.08633	1.0
84.08170	0.6
85.02912	3.6
85.06567	0.5
87.04465	0.5
91.03949	1.8
91.05493	4.0
93.07052	3.5
95.04977	1.2
95.08616	1.8
95.19999	0.4
97.02890	3.5
97.06561	1.4
98.21433	0.6
98.97578	0.9
99.04465	0.7
100.68099	0.4
101.02396	1.1
103.03957	0.5
105.07027	1.8
107.04982	0.8
107.08616	1.3
109.02892	0.9
109.06551	0.7
109.10143	1.9
111.04243	0.3
111.08146	0.4
119.08573	3.3
121.06509	1.6
121.10149	1.0
123.08083	0.8
125.09624	0.6
127.03957	1.0
129.07028	0.6
131.08585	1.0
133.10124	1.1
137.06039	0.5
137.09575	2.3
139.53725	0.4
145.05000	0.5
145.10126	0.6
147.08046	1.8
147.11728	0.7
149.09639	1.3
157.10138	0.7
159.11765	0.5
163.89757	0.4
165.09117	2.9
167.07104	0.5
175.11266	0.6
193.08572	0.3
193.12254	1.1
215.18105	0.4
219.01840	0.8
221.12036	0.4
233.11494	0.3
239.12831	1.2
243.08362	2.4
249.11298	0.7
255.11977	2.3
259.09900	0.6
267.16055	0.9
283.15210	3.8
311.14713	1.0
339.18124	0.7
397.51248	0.4
411.38913	0.4
413.18060	0.6
441.16986	0.7
455.18961	0.5
469.20483	0.5
470.71271	0.4
473.19971	19.0
474.20563	0.5
501.23077	10.7
536.24170	1.1
536.73792	2.3
537.15796	0.4
537.23956	0.9
571.30963	0.8
733.36176	100.0
734.36218	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	732.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03938	5.7
55.01864	4.3
55.05517	17.3
56.31734	1.2
57.03442	21.6
57.07082	3.1
58.96220	1.2
65.03939	2.9
67.05510	64.5
69.03424	4.7
69.07074	12.8
70.96759	3.1
71.05000	4.7
79.05499	56.0
81.03426	79.0
81.07062	59.3
83.04977	6.5
83.08629	20.3
85.02866	1.9
85.06534	3.8
91.05492	39.4
93.07053	59.1
93.07648	3.0
95.04974	26.9
95.08613	34.1
97.02901	2.9
97.06521	5.2
97.10148	5.9
99.08075	3.4
103.05470	1.3
105.07038	27.0
107.04959	5.8
107.08604	25.9
109.06517	6.3
109.10170	16.8
111.04425	1.8
111.08076	7.6
113.09635	1.8
115.05465	2.3
117.07024	9.6
119.04961	1.5
119.07804	2.4
119.08588	26.3
120.08985	1.3
121.06489	4.0
121.09335	2.1
121.10154	31.3
123.04400	2.4
123.08076	3.7
123.11735	7.3
124.35690	1.2
125.09634	5.6
126.09611	1.3
129.07022	12.6
131.08574	20.3
133.06483	3.1
133.10126	18.6
135.08038	2.0
135.11711	25.3
137.09601	2.8
137.13283	2.8
139.11140	1.7
142.07768	3.3
143.08554	3.0
145.06467	1.7
145.10120	13.9
147.08067	5.1
147.11700	14.6
149.09639	7.1
149.13284	8.9
155.08514	2.8
157.10147	11.6
159.11687	11.9
161.09717	1.5
161.13266	3.7
163.11192	4.1
164.55411	1.3
165.12743	2.4
171.11670	3.2
173.13298	7.2
175.11192	10.1
177.12781	1.3
183.11661	1.9
184.07220	2.9
185.13222	2.2
187.14809	2.7
189.11253	3.9
189.16379	2.1
193.12268	19.3
211.13374	2.1
215.17978	27.6
227.12759	6.0
231.17523	2.5
233.19032	25.6
249.14833	2.0
255.21301	1.7
267.15936	100.0
273.22116	4.2
285.16724	3.1
289.21579	1.6
307.22702	87.9
308.23227	2.4
309.16946	2.9
375.21832	1.6
389.28143	1.9
407.24298	2.0
407.29446	5.9
419.28241	1.7
425.30609	7.3
429.11380	1.5
443.31522	4.0
481.33060	2.4
499.34238	66.6
500.34433	2.4
517.35297	55.1
518.35278	3.0
535.36157	3.6
541.35315	6.0
607.35736	2.6
625.36688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01870	1.1
55.05268	0.9
55.05513	10.5
57.03442	6.3
57.07063	1.4
61.02926	3.0
62.06089	1.4
65.03949	1.6
67.05508	43.0
69.03419	1.5
69.07072	9.4
71.05001	12.6
73.02898	0.9
79.05499	27.3
81.03410	2.0
81.07061	27.9
83.05000	3.3
83.08633	4.5
85.02901	2.4
86.09708	1.5
91.03949	0.9
91.05484	13.7
93.07050	33.8
95.04980	2.7
95.08612	100.0
97.02888	1.0
97.06545	4.6
97.10168	2.9
99.08108	1.9
102.40156	0.6
103.03988	1.0
105.07031	9.3
105.10244	0.6
107.04958	1.1
107.08609	14.9
109.06527	1.4
109.10175	8.8
111.08083	0.9
117.04268	0.6
117.07022	3.5
119.08599	8.7
119.54028	0.7
121.10156	18.6
123.08075	8.1
123.11706	1.9
125.09687	3.1
129.07021	1.4
131.08575	8.3
133.10144	6.1
135.11687	5.5
137.09593	0.8
139.11209	1.9
141.09132	3.9
143.08531	1.4
145.10117	4.3
147.11697	3.4
149.09631	4.4
149.13283	2.9
151.11119	1.0
155.10646	0.9
157.10173	1.0
159.10359	3.8
159.11722	3.7
161.13295	2.8
163.11241	0.8
163.14880	0.9
167.10722	1.6
171.11688	1.3
173.11964	0.7
173.13223	2.9
175.14958	0.8
183.11739	1.0
184.07350	3.5
185.13263	1.1
187.14894	1.3
197.11729	0.9
197.13354	1.0
199.13327	4.1
229.14433	1.6
231.15956	1.3
240.58360	0.6
241.14363	4.0
241.19682	1.1
243.21136	1.1
259.20599	1.6
261.22250	2.3
271.20578	0.8
273.16940	18.2
333.24500	0.8
335.25848	18.6
351.25616	0.7
363.25519	1.2
365.28476	1.5
383.29465	3.6
409.30984	1.7
447.03970	0.7
457.33115	4.8
475.34222	75.6
476.34451	2.1
483.34586	1.7
489.35809	2.2
501.35797	13.3
507.37213	1.0
519.37006	1.4
533.38397	40.3
534.38824	1.1
715.10260	0.7
762.87067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
52.78804	0.6
53.03948	3.0
55.01872	1.2
55.05513	15.5
57.03442	4.7
57.07076	2.8
59.05007	1.0
60.08158	0.6
61.02245	0.5
61.02926	2.6
65.03936	1.7
67.05505	60.7
68.05834	0.5
69.03429	1.6
69.07066	7.6
70.10331	2.1
71.04993	18.7
71.08624	0.9
73.02921	0.9
76.41888	0.5
77.03889	0.5
77.52702	0.6
79.05495	45.1
81.03416	2.2
81.07057	86.5
83.04979	3.7
83.08617	8.8
85.02917	3.0
85.06539	7.6
86.09711	2.0
87.04436	1.0
91.03970	1.1
91.04903	0.9
91.05482	27.2
93.07044	49.9
95.04974	3.4
95.08609	20.9
97.02899	1.8
97.06528	4.2
97.10166	2.4
99.08092	3.6
105.04501	0.9
105.07037	17.2
107.04966	0.6
107.08593	16.3
109.06539	1.5
109.10150	12.0
111.08071	1.5
115.05457	0.5
117.06996	3.7
119.08585	8.7
121.10144	25.0
123.08085	1.7
123.11708	13.1
125.00008	1.3
125.09641	2.1
131.08562	7.5
133.10132	18.6
135.08052	0.8
135.11697	7.3
137.09631	0.7
139.11243	0.7
143.08604	1.0
145.10114	4.1
147.11674	2.9
149.09648	0.9
149.13249	4.2
151.11169	6.5
153.12759	0.7
157.10165	1.4
159.11707	5.9
161.13281	1.5
163.11172	1.0
165.12897	0.7
169.12259	0.9
171.11739	1.7
173.13199	2.7
177.12758	2.3
183.13780	2.5
184.07358	7.0
187.13322	2.9
187.14799	1.0
195.13792	1.7
201.14825	0.6
215.18021	2.4
227.16396	0.8
231.17558	0.7
233.19052	3.1
243.15961	1.8
247.21169	0.5
257.17310	1.4
259.20819	0.6
269.17514	6.3
290.75873	0.6
301.20078	16.0
307.22662	28.2
351.25293	0.7
365.28470	0.9
383.29642	1.0
423.27469	2.0
427.32098	0.6
445.23602	0.7
457.33105	2.3
475.34198	81.2
476.34650	3.0
489.36002	3.0
499.58905	0.7
501.35629	10.4
519.36743	0.9
533.38391	100.0
534.38458	3.2
545.38202	0.8
648.95099	0.6
670.80078	0.6
677.42950	0.7
686.35413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01879	10.3
55.05513	24.3
57.03434	22.3
57.07063	3.3
59.04991	2.0
59.91314	1.0
60.08155	2.1
61.02937	5.3
65.03932	4.3
67.05505	77.4
69.03058	1.0
69.03418	4.3
69.07073	16.9
69.25040	1.0
71.01337	5.8
71.04984	5.3
71.08605	1.6
71.52573	1.7
73.02914	2.4
79.05492	79.1
80.46523	1.0
81.03416	26.6
81.07056	73.6
82.07381	1.2
83.01331	2.5
83.04977	20.0
83.08624	18.0
85.02531	1.0
85.02911	11.6
85.06541	5.3
85.06968	1.0
86.09716	7.4
91.03931	2.7
91.05480	42.7
93.07043	88.5
95.04962	14.5
95.08606	43.9
97.02892	16.0
97.06520	11.5
97.10173	5.4
99.04478	2.6
99.08073	3.9
103.05463	1.4
105.04520	2.4
105.07034	25.1
107.04951	14.9
107.07887	1.9
107.08593	39.7
109.02855	1.7
109.06543	6.7
109.10159	24.6
111.04445	13.1
111.08086	6.9
113.05984	1.5
114.52644	1.0
117.07027	16.4
119.06062	1.2
119.08573	23.7
121.06503	4.5
121.10142	50.5
123.04499	1.1
123.08063	8.5
123.11713	5.9
124.99976	5.0
125.05972	3.1
125.09612	5.7
125.28010	1.0
129.06999	5.0
130.07771	2.4
131.08566	22.0
133.10129	17.8
135.08052	6.6
135.11687	43.8
136.06187	3.6
137.09576	5.3
139.11139	1.2
141.39067	1.2
143.08542	2.9
145.06467	2.4
145.10121	34.9
147.08040	5.4
147.11662	9.8
149.02390	1.7
149.09637	6.6
149.13246	8.9
151.11197	2.8
153.09048	1.2
153.12732	16.7
155.08531	3.7
156.82985	1.1
157.10077	2.5
159.11699	10.3
161.09666	1.2
161.13237	3.2
162.07716	3.4
163.11185	41.2
171.11685	3.4
173.09619	8.2
173.13211	8.4
175.11269	1.0
175.14764	1.6
177.12706	1.8
181.12224	12.3
182.56856	1.1
183.11697	1.2
184.07341	22.1
185.09698	1.0
185.11534	1.0
185.13289	1.6
187.11212	1.0
187.14874	2.8
189.11214	1.2
189.16399	1.4
191.10666	12.2
197.13152	1.2
199.14824	1.3
205.19403	1.3
209.11714	27.3
213.16400	1.8
215.17950	21.0
227.12744	14.4
231.17474	1.7
233.19016	16.3
253.14252	1.4
265.14438	6.2
267.15683	1.7
273.13303	2.8
283.15390	37.7
284.29388	1.6
289.21518	1.2
301.16443	58.7
307.22662	100.0
308.23065	2.4
335.25830	2.4
405.28088	1.9
423.28848	5.2
439.96182	1.1
441.29861	3.1
459.30771	2.2
497.32507	8.8
515.33661	58.7
516.33350	2.2
533.34717	83.2
534.34717	2.7
594.01184	1.3
614.57312	1.2
712.44513	2.5
730.38641	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	730.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01878	5.8
55.05510	20.7
57.03442	17.9
57.07081	3.3
61.02921	7.0
65.03916	2.6
67.05511	68.7
69.03430	5.6
69.07065	20.4
71.04992	5.5
71.52432	2.5
71.91515	1.8
73.02920	3.2
78.51876	1.8
79.05497	57.2
81.03416	8.4
81.07059	56.6
83.05001	12.0
83.08617	13.1
85.02914	10.6
85.06550	4.2
86.09727	11.3
91.03949	3.0
91.05489	44.7
93.07053	63.1
95.04977	14.4
95.08618	37.4
95.48965	1.9
97.02900	10.0
97.06530	10.0
97.10169	4.9
98.53257	1.8
99.04457	3.7
99.08103	3.2
105.06393	3.5
105.07039	38.2
107.04965	8.1
107.08599	33.9
109.06528	8.7
109.10172	25.2
111.04453	7.1
111.08069	4.9
113.06001	2.7
115.05429	3.3
117.07019	21.6
119.08591	25.2
121.06505	5.3
121.10146	27.8
123.08087	5.6
123.11698	6.6
125.00000	7.2
125.09666	4.2
128.06238	2.3
129.07011	9.4
131.08580	15.1
133.06494	5.5
133.10146	29.4
135.08060	10.0
135.11694	22.5
137.09613	7.4
141.06995	2.7
143.08568	11.2
145.10129	27.7
145.52933	2.3
147.08069	6.5
147.11702	15.2
149.09572	11.5
149.13280	5.4
151.11185	5.3
153.09077	2.6
155.08519	8.2
157.10153	9.1
159.08054	3.0
159.11707	13.8
161.09627	6.9
161.13219	5.5
163.07564	3.8
163.11189	10.7
163.14862	2.2
165.09114	3.7
167.08575	3.1
169.10191	4.8
171.10338	2.3
171.11642	9.2
173.09669	5.7
173.11829	3.4
173.13260	7.7
175.11243	5.6
179.10612	2.5
181.08615	2.4
181.10049	2.2
181.12311	2.1
183.11739	5.7
184.07356	28.2
185.13220	4.4
186.07840	2.8
187.11131	3.6
187.14835	4.2
189.12740	3.3
191.10684	3.9
195.11714	2.3
197.13254	2.4
199.11252	2.5
203.10597	2.4
209.11671	16.0
209.13387	2.8
213.16409	5.1
215.17917	8.6
227.12798	4.3
227.16232	3.2
227.18155	3.2
229.14290	5.2
231.17540	4.0
233.18991	7.3
245.19028	7.5
253.14265	2.6
255.15842	3.6
261.18637	3.0
261.22046	2.0
273.13428	3.8
283.15399	36.7
285.16986	3.5
287.20139	6.2
289.18039	3.4
301.16278	4.7
302.98828	2.1
305.21155	6.1
307.19534	2.7
307.22723	27.3
308.23337	2.0
311.20197	2.5
317.21036	2.1
335.25891	10.2
345.20792	5.7
350.33984	2.0
361.23550	2.8
363.21390	2.2
367.24515	2.3
395.29385	2.1
405.27866	7.1
423.28882	8.3
441.29926	5.5
459.30786	3.0
497.32684	20.9
505.35538	2.1
515.33734	100.0
533.34753	37.4
619.10083	2.0
632.99023	1.9
730.41699	3.1
731.18604	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01861	1.3
55.05503	3.6
56.05029	2.4
56.70584	1.1
57.03425	3.2
61.02929	24.8
67.05497	7.5
68.05048	1.1
69.03429	15.5
69.07065	2.8
70.06599	12.3
70.43566	1.2
71.04979	3.0
71.51603	1.6
72.08137	2.3
73.02924	9.8
76.02225	2.9
79.05494	9.4
80.05003	2.3
81.03423	33.3
81.07057	10.7
82.06592	1.3
83.04999	5.7
83.08620	11.7
84.04512	9.8
84.08141	5.3
85.02911	27.1
85.06536	1.3
86.06075	39.9
86.09699	2.1
87.04476	28.4
91.03958	14.4
91.05480	7.7
93.07044	8.8
94.06588	1.4
95.04966	13.2
95.08611	5.9
96.08115	1.8
97.02900	20.3
97.06537	6.3
98.06061	30.4
99.04439	2.4
101.02362	1.8
102.05534	3.0
103.03923	1.2
104.06438	2.1
104.07111	36.6
105.07015	5.3
107.04953	4.3
107.08588	4.2
109.02882	2.0
110.07166	5.5
110.33400	1.2
111.04412	1.9
111.08060	5.4
112.07616	12.2
113.06002	1.1
114.05553	3.0
115.05575	1.4
116.06065	1.1
119.08567	4.1
121.06468	1.8
121.10173	8.2
123.04427	5.0
124.07581	4.0
125.09633	1.3
126.05515	8.3
126.09180	2.0
127.03905	5.2
129.07047	2.5
130.05005	1.6
131.08577	5.9
133.06085	1.2
133.10152	2.6
135.11665	1.5
136.06210	7.8
136.07555	5.0
138.12755	2.8
139.11115	1.3
140.07056	2.6
142.08664	3.2
143.08484	1.1
145.04939	4.6
147.04395	1.3
147.08043	1.3
147.11688	7.0
148.07573	2.6
149.09634	24.2
154.08612	3.2
157.10194	5.5
158.08144	6.9
159.11678	1.6
161.67091	1.2
162.02217	1.6
163.06010	3.2
165.05540	2.1
165.12737	2.1
166.12332	2.5
167.07097	1.6
175.11153	8.2
177.12752	2.0
179.04814	1.3
183.06563	1.3
184.13292	4.6
191.67888	1.1
193.12245	32.7
195.13817	2.4
197.19559	1.1
200.96997	1.2
206.15376	1.7
209.08012	2.7
210.14902	8.4
211.13222	5.9
212.16360	1.8
224.16415	4.5
231.06508	3.2
232.17012	1.4
234.14937	2.1
244.09201	1.6
250.17993	1.8
252.15994	17.9
260.16547	3.4
267.15936	16.8
278.17584	9.1
285.16983	39.5
288.18158	1.1
296.18536	4.6
298.09726	2.5
302.19617	1.6
308.09113	3.2
309.16949	3.9
312.14316	2.8
314.19583	3.0
323.39688	1.1
326.19681	2.5
327.17929	1.2
344.20724	11.5
352.21030	1.2
362.21759	23.0
363.18051	2.1
370.22208	12.9
388.23325	58.5
389.23605	1.4
524.27094	8.7
550.28522	41.9
551.28229	1.2
653.05194	1.3
694.31335	1.8
712.33850	100.0
713.33496	4.5
723.33258	1.3
730.34821	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	730.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
53.11556	1.1
55.01855	2.3
55.05501	5.5
56.05016	4.0
57.03434	2.9
61.02928	19.3
66.31024	1.1
67.05493	4.5
68.24706	1.2
69.03426	13.3
69.07063	2.9
70.02934	1.7
70.06594	21.5
71.04985	3.9
71.91178	1.0
72.08155	4.1
73.02923	7.4
76.02222	1.8
77.06998	1.0
79.05505	8.8
80.04995	2.1
81.03416	29.1
81.07053	9.3
82.06572	1.6
82.52631	1.2
83.04971	3.4
83.06104	1.8
83.08617	6.0
84.04498	13.3
84.07667	1.9
84.08125	11.4
85.02906	24.6
85.03394	2.6
85.06524	1.7
86.06065	42.3
86.09690	2.8
87.04469	21.3
88.03973	6.1
91.03953	11.7
91.05461	9.1
93.07042	7.6
95.04948	10.7
95.08598	5.4
97.02892	18.9
97.06529	5.4
98.02416	2.0
98.06061	24.9
101.07144	1.9
102.05540	3.4
104.06434	1.9
104.07105	31.3
105.07020	5.0
105.67029	1.4
107.04945	4.0
107.08585	4.5
109.02893	2.3
109.06491	1.6
110.07162	16.3
111.04415	2.3
111.08076	4.2
112.07604	10.3
114.05532	7.9
115.03925	1.8
116.07088	1.5
117.07011	1.4
119.04924	2.2
119.08577	5.1
121.06541	2.8
121.10143	6.4
123.04414	4.0
123.08039	1.9
124.07581	3.3
126.05508	9.2
126.09212	2.0
127.03901	6.4
129.07010	2.8
129.10225	3.1
130.08641	1.4
131.08582	5.8
133.06119	5.5
133.10141	2.1
136.05243	1.1
136.06175	6.7
136.07565	4.8
138.09163	1.4
138.12785	3.2
139.11176	1.4
140.07010	2.5
142.08598	3.2
145.04959	3.7
147.04341	1.6
147.08127	1.3
147.11694	3.3
148.06097	2.2
148.07553	3.4
149.09618	21.7
154.08638	2.3
157.10095	4.8
158.08096	5.7
162.00229	1.2
163.06088	3.2
165.05510	3.3
165.07701	1.5
165.12721	2.8
166.12280	2.8
167.06998	2.1
167.08258	1.3
175.11209	6.7
176.08171	1.5
177.12801	1.7
184.13310	3.4
193.12247	27.6
206.15273	2.4
209.07971	1.6
210.14851	6.5
211.13312	5.2
224.16516	2.2
229.08212	2.8
231.06496	2.8
234.14888	2.8
236.73128	1.3
244.09351	3.5
246.10910	1.2
249.09613	1.9
250.18021	2.0
252.15959	17.2
258.16965	1.9
260.16470	4.1
267.15887	17.0
278.17526	8.9
285.16968	35.3
288.18207	1.8
296.18597	4.1
298.09808	2.8
308.09149	1.9
309.16910	4.1
312.14383	4.5
314.19565	1.8
326.19714	2.6
327.17902	1.3
344.20676	15.6
352.20975	1.6
362.21692	23.5
370.22253	11.4
388.23270	54.5
431.21149	2.0
524.27130	8.3
532.26624	2.0
550.21021	2.6
550.28534	35.5
607.28662	2.4
661.01196	1.4
686.31543	2.4
694.32648	2.6
712.33850	100.0
713.33398	3.7
729.82581	6.2
730.34711	6.5
730.82703	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	730.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01867	1.0
55.05478	0.8
56.45704	0.7
57.03444	7.0
60.04517	2.6
60.89544	0.6
61.02935	1.2
69.03431	23.4
70.06581	2.8
71.51794	1.2
77.32428	0.8
78.04729	0.7
79.05509	3.3
81.03416	10.6
83.04987	1.3
84.04483	0.7
85.02905	15.8
86.09704	1.0
87.04466	15.7
91.05490	2.6
95.04942	1.1
97.02297	1.4
97.02898	18.9
99.04452	1.3
103.05469	2.8
105.07040	1.4
107.04964	7.3
111.04405	1.0
115.03937	21.0
115.05416	4.7
117.07027	14.0
123.04427	2.7
124.05174	1.1
127.03897	1.9
128.06186	0.9
129.06989	2.7
130.04184	0.9
131.04955	1.2
131.08539	2.3
133.04970	24.8
133.06487	1.4
135.04401	0.9
137.05980	1.4
144.05687	2.2
144.06671	1.6
145.04993	3.3
145.06494	29.4
147.04387	0.6
147.08083	0.9
149.05984	0.8
150.07632	8.8
151.03879	1.0
155.06035	5.2
156.05678	5.5
157.06461	1.8
159.08087	4.5
160.05325	0.9
161.05988	2.3
162.07607	2.1
163.07523	0.7
167.07047	39.4
169.06396	0.8
173.05989	57.8
175.07655	1.1
177.05504	0.9
179.06923	0.8
180.08684	6.8
181.04965	0.9
183.06526	1.0
184.05232	1.9
186.06856	0.9
187.07559	5.9
190.06258	35.6
191.06934	2.0
193.08582	1.2
195.06464	1.4
202.06364	3.7
203.07050	6.2
205.08609	100.0
206.08902	1.4
207.06482	1.7
215.06958	1.2
217.08611	38.9
218.09042	1.0
219.10143	4.2
223.09578	3.2
231.08086	0.9
235.09651	30.6
247.07530	1.6
247.09705	6.7
248.08203	1.8
259.08130	2.1
263.10556	0.9
264.08041	0.9
265.10727	52.3
269.08130	1.1
271.09616	1.8
276.07861	1.2
279.10278	1.0
280.98541	0.6
290.09390	0.7
291.10147	2.4
294.12006	1.0
295.10168	0.9
299.09238	1.2
307.09552	1.2
308.10452	1.0
309.11679	0.8
312.12814	4.7
315.08533	4.2
315.97058	0.6
323.12775	2.2
330.11035	7.2
331.11719	3.0
336.09976	1.1
339.12082	1.0
343.11771	0.8
351.12210	3.3
353.10300	0.9
368.12424	1.2
369.13266	1.3
371.14893	2.5
383.14902	10.3
401.15955	18.0
598.40076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
54.14796	0.3
54.35981	0.3
55.01873	0.7
55.05503	0.9
57.03440	1.4
59.04989	0.4
61.02930	3.8
67.05503	2.6
69.03431	2.5
69.07072	1.1
69.86023	1.5
70.06617	0.5
71.01351	0.3
71.04989	1.2
73.02922	2.7
79.05495	3.0
83.04996	1.1
83.08618	1.6
85.02908	5.2
85.06564	0.4
86.09692	0.5
87.04478	0.9
91.03971	2.2
91.05482	4.0
93.07047	2.2
95.04977	2.0
95.08598	1.4
97.02895	3.5
97.06547	0.7
97.10199	0.4
98.20866	0.3
99.04475	0.9
101.02405	1.5
103.03955	0.4
105.07035	2.8
107.04947	0.6
107.08616	1.7
109.02869	0.9
109.06548	0.5
109.10143	0.9
111.04556	0.3
111.08089	0.8
119.08611	2.1
121.06523	0.5
121.10155	1.8
123.08047	0.4
125.09651	0.3
127.03934	1.0
129.06985	1.3
129.10266	0.3
131.08580	1.3
133.10124	1.8
137.05983	0.4
145.10184	0.4
147.08080	0.3
147.11707	1.3
149.09671	1.8
157.10150	1.9
165.12854	0.3
166.75966	0.3
173.13411	0.3
175.11157	1.4
184.07498	0.3
185.04231	0.5
193.12225	2.7
203.05351	0.4
211.13330	0.8
233.11620	0.3
243.08429	2.4
251.12686	1.1
267.16046	1.2
283.15161	4.3
307.15292	0.7
339.17838	0.6
350.23901	0.4
469.20462	9.7
470.20807	0.4
501.23080	10.8
567.22565	0.4
567.31482	0.8
639.31372	0.4
729.36676	100.0
730.37048	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	729.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01868	1.5
57.03432	1.1
61.02907	1.4
65.03619	0.8
65.03943	12.9
67.05511	2.6
67.61853	0.5
69.03424	4.3
69.65593	0.5
70.06615	2.7
71.05004	0.5
71.51997	0.6
71.52443	0.7
71.87312	0.5
72.08152	1.1
73.02931	1.0
78.04715	1.5
79.05502	4.6
81.03433	2.8
81.07049	0.9
82.04198	2.1
83.23951	0.5
84.04510	0.8
84.08137	1.4
85.02901	7.9
86.09727	1.0
87.04446	0.5
89.03921	1.1
91.05489	6.1
93.03407	7.5
93.07024	1.2
94.04173	1.1
95.01325	2.1
95.04966	2.2
97.02892	2.5
97.06530	1.4
103.05473	6.7
105.03425	0.6
105.04512	0.6
105.07050	5.0
106.04177	1.1
107.04967	6.9
108.02089	1.0
109.02900	0.9
109.06530	0.5
110.03666	12.1
111.04451	14.8
115.05447	3.2
116.06236	0.9
117.03360	0.8
117.07021	1.4
118.04160	1.0
119.04944	5.3
119.08590	0.9
120.08112	1.0
121.02885	0.7
121.06512	1.6
122.03624	1.7
123.04411	3.4
124.05222	1.7
125.05996	16.3
127.03926	1.4
128.06229	2.2
129.07024	4.3
129.10251	0.6
130.04160	0.6
131.04930	9.3
131.08582	0.7
132.05717	0.9
133.02853	1.8
133.06497	3.7
135.04395	0.7
136.05159	0.8
136.66708	0.5
137.05981	24.8
138.03107	1.4
141.06984	0.7
143.04901	0.7
144.05711	1.5
145.06497	3.1
146.07210	0.7
147.04411	8.5
147.08055	1.7
149.06004	2.2
151.03894	1.7
151.07535	2.0
152.04683	1.2
153.05469	72.4
154.05893	0.7
155.04890	1.2
155.05989	0.6
156.05698	1.1
157.06493	0.7
159.08055	5.0
160.05179	0.9
161.06003	6.1
161.09686	0.6
162.06763	1.0
163.03891	1.2
163.07555	13.0
165.05501	1.3
165.06944	1.2
167.07047	35.7
168.05772	0.5
169.06447	0.7
171.04420	2.1
171.08080	1.1
172.05167	1.9
173.05988	2.8
175.04027	0.7
175.07547	9.6
176.04539	0.5
177.05461	4.4
178.07820	1.7
179.07056	7.5
179.08539	1.2
181.04944	3.3
181.06416	0.8
181.08522	0.9
184.05223	1.2
185.05957	2.4
186.05240	0.8
186.06731	3.9
187.07549	10.7
189.05475	3.9
189.07019	1.6
189.09036	0.6
190.07758	3.2
191.07001	4.2
191.08582	4.8
192.07631	0.6
192.09415	0.8
193.06599	0.7
194.07220	1.2
195.08090	1.0
198.06712	1.0
199.07549	5.8
201.05327	0.8
202.07744	3.3
203.07056	0.6
203.08635	4.6
204.05841	0.6
204.09326	0.7
205.06512	2.8
205.08340	0.9
205.10207	0.9
206.07321	3.0
207.06337	2.7
207.08182	3.4
208.08795	1.3
209.09680	0.5
214.06218	0.7
215.06839	2.7
215.08664	1.8
216.07797	9.2
216.09698	0.7
217.06459	1.5
217.08530	1.3
218.07283	4.7
219.08072	9.3
219.10107	1.0
220.08771	5.3
221.06090	2.7
221.09599	3.7
223.07558	1.7
229.06525	0.8
229.08617	7.3
231.08064	4.3
232.08853	1.8
233.06136	2.8
233.09882	2.5
234.06776	3.8
234.10355	0.9
235.07507	7.2
236.08333	5.3
237.09047	2.8
239.07042	1.4
243.08138	1.0
245.05914	1.2
245.09846	0.6
246.06711	2.7
247.07541	7.6
248.08328	6.5
249.05508	1.6
249.09093	6.8
250.06180	1.2
250.09865	1.6
251.07068	2.3
251.10703	11.8
251.13293	0.7
253.08553	2.1
257.05853	0.7
258.06876	1.2
259.07504	1.7
260.08325	2.1
261.05502	1.9
261.09122	5.4
262.06235	1.4
262.10004	1.2
263.07028	4.6
263.10583	2.7
264.07813	9.7
265.08588	9.5
266.09338	1.6
267.10147	1.3
268.10944	0.5
271.07376	0.6
273.09259	1.2
274.06189	1.3
275.07080	3.4
276.07816	9.3
277.08554	7.1
278.06329	1.0
278.09372	4.7
279.06741	1.1
279.10138	9.9
280.07315	1.4
280.10800	2.1
281.08392	1.3
281.11749	4.2
287.07080	0.8
288.07928	1.2
289.08588	4.0
290.09366	1.8
291.06650	1.2
291.10156	3.8
292.07285	3.2
292.10608	1.0
293.08084	6.0
293.11646	2.2
294.08887	1.8
295.09650	1.8
296.10370	0.6
299.12714	0.8
304.07272	2.0
305.08072	2.8
305.11432	1.2
306.08975	2.6
307.09656	39.6
308.10419	7.4
309.07669	0.8
309.11124	6.0
310.11908	1.1
311.12814	3.2
319.06207	0.7
319.09674	9.4
319.13419	0.6
320.10455	2.3
321.11224	5.0
322.12155	0.7
323.09299	1.1
323.12805	5.9
324.09991	1.9
325.14307	0.8
326.11398	0.6
336.09851	1.0
337.10922	2.8
337.14319	1.2
338.11194	0.6
339.12274	100.0
340.12726	3.2
341.13843	9.3
351.12265	27.5
352.12848	2.2
353.13843	5.0
367.15445	0.7
369.13361	4.0
370.14310	0.6
469.16467	0.7
481.16049	0.6
499.17499	4.2
506.28146	0.5
531.19739	1.1
567.21985	0.9
729.27301	2.8
747.75848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01862	1.5
57.03423	1.0
61.02919	0.9
62.23064	0.5
65.03944	10.3
66.21004	0.5
66.42511	0.4
67.05494	2.1
69.03424	2.1
69.40996	4.2
70.06590	2.7
72.08169	1.0
78.04702	1.6
79.05478	3.6
81.03410	1.7
81.07035	0.6
82.04201	2.4
84.04504	0.8
84.08136	1.1
85.02904	4.2
86.09708	1.6
91.05486	6.2
93.03411	7.2
94.04214	0.6
95.01330	1.6
95.04961	2.8
95.08620	0.7
96.39933	0.6
97.02879	1.6
97.06523	1.6
103.05469	3.3
105.07052	5.6
106.04245	0.6
107.04955	5.0
108.02106	1.1
110.03672	10.9
110.07242	0.6
111.04451	12.0
115.05463	2.5
117.03415	0.6
117.07027	0.9
118.04160	1.4
119.04950	4.0
119.08561	1.1
121.06506	0.9
122.03617	1.3
123.04449	3.4
124.05246	1.6
125.05996	14.0
128.06221	1.8
129.06990	4.0
131.04950	3.9
131.08553	0.5
132.05714	1.1
133.02861	1.9
133.06503	4.0
134.06038	0.7
135.04417	1.1
136.05206	0.9
136.07582	0.9
137.05988	11.5
138.03128	1.5
138.06355	0.9
141.07014	1.0
143.04944	0.8
144.05692	1.3
145.06519	1.9
146.07272	0.6
146.34990	0.5
147.04427	6.7
147.08057	1.8
148.05128	0.8
149.05991	1.9
151.03918	1.9
151.07535	1.9
152.04651	1.0
152.06128	0.6
153.05472	63.3
154.05794	0.8
155.04924	1.3
156.05679	1.1
157.06511	1.3
159.04422	0.6
159.08058	6.0
160.05260	0.9
161.06010	6.1
163.03906	0.9
163.07483	2.8
165.05533	0.6
165.06985	1.2
167.07043	42.3
168.05836	0.7
168.07372	0.9
171.04442	1.3
171.08011	0.8
172.05219	1.8
173.05989	1.2
175.07555	9.9
177.05473	1.9
177.06870	1.1
178.07748	1.4
179.07027	4.7
179.08478	0.9
180.09265	0.5
181.04947	0.9
184.05225	1.0
185.05975	1.8
186.06721	2.7
187.07561	9.3
189.05447	3.9
189.07047	2.1
189.09081	1.2
190.07765	1.6
191.07019	4.1
191.08592	2.8
192.09421	1.0
193.06638	1.0
193.10152	0.9
197.07840	0.6
198.06761	0.7
199.07539	3.8
201.05478	1.0
202.07823	2.9
203.06888	0.8
203.08578	3.4
205.06593	2.6
205.10158	1.1
206.07239	2.3
207.06418	1.2
207.08099	2.3
208.08852	1.2
209.07982	0.8
214.06247	0.9
215.06937	1.5
215.08636	1.7
216.07785	7.9
217.06520	2.0
217.08366	0.7
218.07326	5.0
219.08061	9.4
220.08871	4.2
221.06021	3.2
221.09595	3.3
222.06729	1.2
223.07504	1.2
229.06500	0.9
229.08609	7.5
230.07173	1.0
231.08060	3.7
232.08780	1.0
233.05916	2.8
233.09639	3.1
234.06750	2.7
235.07544	6.6
236.08347	4.9
237.09010	2.5
239.07124	1.1
244.05051	0.6
245.05994	1.4
246.06758	2.8
247.07552	6.6
248.08336	4.2
249.05511	1.0
249.06581	0.7
249.09099	6.6
250.06259	1.0
250.09831	2.0
251.06961	2.1
251.10674	12.8
252.07896	0.6
253.08679	1.7
258.06595	0.6
259.07562	2.3
260.08319	1.6
261.05499	2.2
261.09106	4.3
262.06244	1.9
262.09796	1.3
263.07007	3.7
263.10623	3.0
264.07806	10.0
264.16141	0.5
265.08603	9.8
266.09402	1.5
267.10202	0.7
268.11035	0.6
274.06354	0.6
275.07004	3.2
276.07843	7.9
277.08588	6.9
278.06323	1.0
278.09317	5.4
279.06961	0.8
279.10107	8.5
280.07748	0.5
280.10992	1.4
281.08047	1.4
281.11761	3.8
288.07813	1.3
289.08640	4.0
290.09320	2.4
291.06812	0.8
291.10202	4.6
292.07266	3.3
292.10843	1.3
293.08078	5.3
293.11600	1.5
294.08905	2.2
295.09720	1.5
296.10342	1.3
304.07245	2.2
305.08118	2.5
306.08801	2.4
307.09641	36.9
308.10419	6.9
309.07773	1.0
309.11121	5.6
310.12006	0.8
311.12701	2.4
319.09665	7.8
320.10388	2.2
321.07669	1.2
321.11093	5.1
323.09247	0.8
323.12769	5.8
324.09943	1.8
326.11465	0.8
336.09921	1.1
337.10672	1.8
339.12274	100.0
340.12610	2.2
341.13867	10.2
351.12283	30.9
352.12885	1.0
353.13824	4.6
369.13287	3.4
387.14359	0.7
388.14600	1.4
389.14725	1.0
499.17395	1.4
501.19174	0.9
729.38452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.2
53.03939	3.8
53.91132	1.0
55.01861	2.8
55.05516	18.0
57.03438	12.5
57.07069	2.4
59.04992	2.2
61.02917	3.4
62.94456	1.2
65.03934	1.3
66.25143	0.8
67.05507	39.3
67.68678	1.0
69.03416	1.6
69.07067	7.1
71.04969	3.1
71.53331	1.0
72.61621	1.0
73.02906	1.6
79.05496	38.2
79.53265	0.9
80.05541	1.0
81.03425	5.1
81.07058	41.7
83.04979	2.2
83.08623	12.8
85.02890	3.6
85.06537	4.1
86.09702	2.9
91.03946	1.6
91.05482	31.8
92.05820	1.0
93.07044	42.4
95.04963	5.5
95.08615	24.1
97.02897	6.5
97.06516	3.9
97.10144	1.7
98.09013	1.0
99.00819	12.3
99.08080	2.9
103.05460	1.2
105.06396	1.8
105.07039	21.9
107.04948	5.2
107.08597	21.6
109.02885	7.6
109.06523	3.3
109.10160	14.0
111.08090	2.8
115.03908	2.9
117.07047	6.1
119.08595	16.0
121.06508	5.6
121.10149	19.9
123.04456	1.2
123.08044	2.2
123.11723	6.7
125.00008	2.1
125.09670	2.5
127.03915	1.9
129.07039	1.4
131.08563	8.9
133.06474	1.2
133.09122	2.0
133.10136	37.6
135.08067	2.1
135.11702	15.9
137.05960	1.6
137.09683	2.1
137.13260	1.6
139.07532	2.5
139.11118	1.3
143.08591	4.8
145.10159	6.9
147.11691	4.9
149.09593	1.4
149.13275	7.2
151.10329	0.9
151.11194	9.0
157.10182	1.5
159.11708	6.1
161.09612	14.0
161.13332	1.6
163.11192	1.5
167.66673	1.2
171.07990	2.1
171.11717	1.4
173.13228	5.1
179.10696	7.7
184.07327	6.3
187.14767	1.5
189.09145	7.4
189.38449	1.0
197.11671	2.1
205.19481	2.1
205.33437	1.1
207.10191	3.0
215.17972	21.8
225.11234	10.7
233.19023	23.5
243.12231	2.0
249.18547	1.3
281.13806	3.2
289.21545	3.0
299.14908	100.0
307.22690	95.9
308.22849	1.4
393.27917	1.9
411.29105	1.1
421.27383	1.7
439.28540	5.4
457.29337	1.3
485.32455	1.8
487.34030	1.2
489.46399	1.3
503.33789	2.8
513.31921	7.8
531.33191	48.5
549.33752	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01872	3.8
55.05510	12.9
57.03437	13.9
61.02909	1.8
65.03937	2.3
66.55219	0.9
67.05174	1.8
67.05505	18.7
69.03431	3.4
69.07069	7.7
70.06591	5.4
71.04992	8.8
71.52218	0.9
73.02930	1.1
79.05495	24.5
81.03421	50.3
81.07056	19.6
83.04988	6.3
83.08624	14.4
83.94644	1.0
84.08144	1.8
85.02908	2.4
86.09696	2.8
87.04477	1.1
91.05482	19.5
93.07048	22.4
95.04970	22.4
95.08604	12.0
97.02888	2.9
97.06535	5.3
97.10178	13.2
99.04472	1.4
103.05476	6.2
105.07042	16.9
107.04225	1.3
107.04960	22.5
107.08594	11.9
109.06517	31.3
109.10165	5.7
111.04466	1.7
111.08080	4.5
113.06031	1.6
114.59789	1.1
115.05465	2.0
117.07038	6.2
119.04984	1.5
119.08582	12.1
120.08082	2.0
121.06516	17.4
121.10148	15.9
123.04420	2.7
123.08068	4.2
125.09636	11.9
129.07010	8.9
131.04927	10.2
131.08575	16.7
133.06477	4.6
133.10089	5.6
135.08057	10.8
135.11729	1.2
136.06232	1.1
136.07512	1.0
137.05972	7.2
137.09581	2.4
139.07553	0.9
139.11176	6.8
141.07014	2.2
142.07773	2.0
143.08559	1.9
145.06493	4.5
145.10159	5.3
147.04395	1.9
147.08051	5.4
147.11705	4.5
149.09630	7.9
151.03882	2.0
151.07545	1.6
153.09099	2.6
157.10101	6.0
159.08029	2.2
159.11668	1.6
161.06010	1.5
161.09616	2.8
163.07552	10.4
163.11195	4.3
164.07863	1.2
164.10753	3.4
165.12767	2.5
167.06912	1.3
171.07971	1.1
171.11676	1.4
173.06075	1.2
173.09641	1.1
173.11861	1.3
173.13258	5.7
175.11203	6.7
176.92415	1.1
177.12746	1.7
183.11574	1.9
185.11746	3.1
185.13295	1.5
187.07373	1.3
189.11226	4.9
189.12653	1.7
191.07040	1.8
191.14272	9.4
193.12247	13.8
199.11154	1.6
201.12779	1.6
205.12256	2.0
219.13806	26.0
227.12578	1.4
231.13811	1.4
233.15439	2.7
249.14746	2.0
254.17331	1.1
255.13873	1.8
259.12976	1.8
259.15433	17.0
267.15924	38.1
273.14841	5.2
293.17526	13.9
307.54272	1.0
331.00192	1.1
339.23236	1.8
349.21750	2.4
357.24194	2.1
367.22656	12.0
381.22440	1.3
385.23746	16.2
386.23309	1.1
403.24869	6.9
422.62350	1.1
431.24048	3.2
433.25980	3.3
441.26245	6.2
449.25476	1.6
451.26941	14.6
459.27435	80.8
460.27670	1.7
461.28818	2.1
477.28500	100.0
478.28836	3.1
495.29578	22.2
501.28012	3.1
531.29431	1.3
567.29077	3.1
585.30231	1.3
728.36719	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	728.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03946	2.7
55.01864	3.0
55.05513	6.5
55.78410	0.5
57.03440	6.1
63.31248	0.5
65.03896	0.5
67.05509	12.5
69.03376	2.2
69.07071	8.8
69.53951	1.7
69.54372	1.8
71.01326	0.7
71.04985	2.7
73.06507	0.7
74.30303	0.6
79.05498	15.8
79.05920	0.6
81.03419	52.6
81.03864	1.7
81.07058	10.2
83.04988	3.3
83.08621	7.6
85.02856	1.5
85.06503	0.9
91.05478	19.3
93.07047	14.9
95.04972	13.9
95.08613	6.5
97.02821	1.9
97.06540	6.0
97.10170	6.7
103.05406	0.8
105.07027	6.9
107.04958	12.6
107.08584	5.7
109.05901	0.6
109.06510	5.2
109.10145	3.6
110.02306	0.6
111.04430	1.1
111.08083	3.5
115.05403	1.3
117.07018	4.5
119.04884	1.1
119.08583	16.4
121.06516	8.9
121.10137	5.9
123.04430	2.7
123.08054	2.5
125.06010	6.5
125.09631	5.9
128.06161	1.2
129.07019	5.9
131.04880	2.4
131.08589	6.6
133.06488	3.5
133.10062	1.9
135.04419	0.5
135.08052	4.8
135.11656	1.5
137.08670	0.8
137.09621	9.2
139.07576	0.8
141.06929	1.8
142.07669	0.8
143.07074	4.0
143.08516	2.7
145.06482	3.9
145.10103	4.0
147.04434	3.0
147.08046	6.7
147.11699	2.5
149.05966	0.8
149.09656	3.9
151.07532	0.6
153.09065	1.6
153.12726	0.6
155.08490	0.9
157.06467	1.8
157.10153	4.2
159.08025	1.6
159.11664	2.9
161.05994	1.2
161.08165	0.8
161.09561	3.0
163.07541	1.0
163.11197	4.1
165.09123	9.1
167.08482	1.6
169.10074	2.4
171.07990	1.6
171.10167	1.2
171.11594	1.1
173.09641	1.3
173.13202	1.1
175.07544	1.1
175.11145	2.7
177.09079	2.0
181.10100	1.6
183.08029	1.2
183.11620	1.4
185.09592	3.0
185.13245	0.9
187.07561	0.7
187.11182	3.5
189.09087	2.3
189.11127	1.9
189.12703	1.2
191.10701	3.8
191.14362	0.6
193.12230	7.8
195.08073	1.0
195.10040	0.7
197.09615	2.2
197.13208	0.9
199.11246	2.5
199.13058	0.7
201.12811	0.7
203.10599	2.2
204.35757	0.6
205.12161	2.1
209.09564	1.1
209.11467	0.7
211.11057	1.0
213.08990	1.0
213.12784	1.0
215.14189	0.8
217.12154	0.7
219.13802	2.2
221.11580	1.0
223.11214	1.1
223.13164	1.0
225.12775	0.5
227.10643	4.3
227.12698	1.4
229.12332	0.8
231.10123	1.0
231.13736	1.2
233.15363	0.9
237.12741	0.8
239.12772	18.6
241.12210	1.5
245.11635	0.9
247.13252	0.6
249.14885	1.3
255.13957	0.8
259.13266	1.3
261.14999	0.8
266.03036	0.6
267.15903	14.7
273.14786	3.9
275.18149	0.6
293.19144	0.6
303.17392	1.1
311.20053	4.7
321.18524	5.4
329.17477	0.9
329.21115	8.2
339.19577	15.8
357.20609	13.7
375.21585	3.8
403.24829	0.7
413.23215	8.9
431.24301	100.0
432.24670	3.2
449.25351	83.5
450.25748	2.2
463.20480	0.9
463.26932	16.5
464.28320	0.6
473.25232	1.7
481.28131	5.3
513.30750	1.2
539.26678	1.3
575.28143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01870	1.5
55.05513	12.8
57.03441	11.2
57.07066	2.8
61.02939	1.5
65.03943	2.5
67.05506	51.5
69.03423	1.7
69.06728	1.7
69.07070	19.5
70.96655	1.1
70.96986	1.8
71.04992	3.2
71.08610	3.1
79.05498	32.0
81.03405	1.7
81.07059	58.7
83.04967	4.7
83.08621	10.8
85.02895	2.9
85.06522	2.3
86.09658	1.0
88.86922	1.0
91.05489	21.3
93.07047	49.5
95.04971	3.1
95.08617	28.7
96.08903	1.0
97.02902	1.9
97.06548	6.9
97.10139	1.6
97.70638	1.0
98.38287	1.2
99.08087	2.5
99.54625	1.0
105.04510	1.5
105.06391	1.4
105.07039	12.7
107.07884	1.6
107.08598	29.9
109.06518	2.4
109.10152	12.3
111.08072	3.5
111.11671	1.8
117.07034	5.6
119.08582	6.4
121.09342	1.6
121.10143	20.0
123.08112	1.7
123.11689	3.1
124.99980	1.3
125.09658	1.9
131.08575	9.1
133.10159	7.7
135.11714	11.9
137.09532	1.2
137.13206	1.3
139.11163	1.0
140.85188	1.0
145.10118	4.6
147.11673	3.9
149.13268	19.8
151.11215	1.5
159.11696	11.1
161.13266	2.5
163.11263	1.1
163.14760	1.1
173.13281	2.1
177.12740	3.8
177.16338	1.3
184.07368	6.9
187.14882	1.5
193.12334	1.3
195.13789	5.3
243.21109	2.2
261.22177	8.3
267.15909	2.4
269.17496	58.2
270.17798	1.1
277.21494	2.1
293.21030	3.1
317.24753	2.3
335.25824	55.3
351.25351	1.8
437.33954	1.3
455.34671	1.2
498.30881	1.1
515.26239	1.3
529.38922	100.0
530.38916	3.5
547.40436	1.4
563.39215	1.3
628.45831	1.8
726.44788	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05037	0.7
57.03449	0.1
57.07077	0.1
58.06631	0.4
60.08169	5.6
67.05506	0.8
68.39848	0.1
69.03442	0.2
69.07066	0.2
69.30362	1.1
70.06612	0.1
71.07378	2.9
79.05500	0.5
81.03431	0.3
81.07067	0.5
82.95502	0.1
83.08615	0.2
86.09711	28.8
91.05515	0.3
93.07053	0.6
95.04959	0.2
95.08615	0.5
98.98471	2.9
104.10760	2.0
105.07025	0.3
107.04979	0.1
107.08616	0.3
109.06553	0.1
109.10155	0.3
116.94244	0.1
117.07008	0.1
119.08584	0.3
121.10126	0.2
125.00011	17.2
133.10139	0.2
143.01048	0.2
145.10124	0.2
163.11157	0.2
184.07350	100.0
185.07713	0.7
217.21558	0.2
240.13469	0.1
266.52567	0.1
335.25830	0.2
336.26309	0.1
355.46179	0.1
473.63934	0.1
496.34006	0.2
544.37012	0.2
670.40552	0.2
688.45483	10.0
689.45392	0.4
724.46796	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05501	13.8
57.03429	14.2
61.02898	3.6
62.53939	3.2
67.05514	45.1
69.07057	15.4
69.30837	29.8
71.04988	4.1
79.05499	54.9
80.72699	3.2
81.03403	10.5
81.07060	47.1
81.27390	3.1
83.04974	12.5
83.08604	6.3
85.02908	4.4
85.06554	6.0
91.05488	100.0
93.07050	50.9
95.04958	9.8
95.08622	27.1
97.02888	9.5
97.06496	6.8
105.07043	65.4
107.04925	9.5
107.08605	26.0
109.06547	3.2
109.10152	9.7
111.08067	3.6
113.03407	3.0
117.07002	16.2
119.08585	55.9
121.06427	3.5
121.10136	20.8
123.08122	6.6
129.06995	17.4
131.08572	23.9
133.10141	54.4
135.11690	14.5
137.09547	3.5
143.08556	12.3
145.10141	18.0
147.08064	4.8
147.11674	54.5
149.09622	10.8
149.13243	4.2
157.10147	11.0
159.11710	11.1
161.09596	13.5
161.13284	17.1
169.10129	4.9
171.11682	26.4
173.13237	8.2
175.14824	6.1
179.10597	6.4
183.22212	3.4
184.07352	9.7
185.13182	6.5
187.14818	3.8
187.94067	3.7
189.12804	4.7
189.16342	6.3
203.18001	5.0
207.13786	7.6
213.16402	24.7
213.23672	3.6
215.18146	3.4
231.17445	50.5
241.19429	7.5
242.61638	3.6
251.12790	10.6
253.14389	27.5
257.19000	4.1
259.20575	18.0
279.16028	5.6
281.17456	33.8
305.21069	14.6
326.42892	3.8
333.24182	12.0
402.12564	3.4
419.29132	10.4
511.34213	58.9
517.44946	3.6
529.35461	18.9
681.41913	4.0
740.78717	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	724.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.05513	18.7
57.03442	19.2
57.07089	2.5
59.19754	1.8
61.02919	5.5
65.03925	3.8
67.05509	61.1
69.07063	16.3
70.98766	4.5
71.05003	3.7
71.08642	3.1
72.15407	1.8
79.05498	41.5
81.03423	88.7
81.07059	58.4
83.04977	7.3
83.08627	24.3
85.02892	5.2
89.42341	2.0
91.03928	2.6
91.05482	28.8
93.07053	47.5
95.04981	30.2
95.08609	43.8
97.02919	4.5
97.06532	3.6
97.10186	5.9
99.08108	2.1
105.07031	23.9
107.04966	6.3
107.08611	24.8
109.06526	4.6
109.10168	17.3
111.08083	10.3
115.05471	2.6
117.07030	8.4
119.08585	21.7
121.06534	3.4
121.10144	19.5
123.08065	1.9
123.11739	4.4
129.07045	9.3
131.08557	12.9
133.06532	6.1
133.10162	12.9
133.49524	1.7
135.11681	11.7
137.09628	2.8
142.07823	2.0
145.10133	6.9
147.08055	4.0
147.11723	14.4
149.09647	3.5
149.13242	6.2
149.67784	1.9
151.82741	3.1
155.27876	1.8
157.10110	10.2
157.20728	1.7
159.11714	4.4
160.11293	2.2
161.13271	4.1
163.14792	2.1
165.12730	3.4
173.13289	5.7
175.11206	9.0
175.14738	2.5
179.14349	2.8
182.59389	1.8
187.14917	2.4
189.11230	3.4
193.12270	19.6
224.43831	2.1
227.12735	5.4
243.21196	3.7
249.14920	2.3
261.22168	19.0
267.15942	100.0
273.14984	2.1
301.25269	6.0
309.17163	3.3
317.24747	2.9
335.25806	92.3
336.26324	3.5
346.77710	2.2
435.32297	3.6
453.33401	5.1
471.34616	2.8
527.37305	52.6
545.38312	28.2
569.38367	3.8
595.47076	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	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.1
55.01873	3.4
55.05280	0.6
55.05510	6.8
57.03439	7.6
61.02912	1.1
65.03918	1.5
67.05504	13.4
69.03396	2.5
69.07066	5.2
69.53076	1.6
69.53508	2.1
70.06570	0.6
71.01331	0.6
71.04967	1.5
73.02892	1.1
73.19150	0.5
74.71535	0.5
79.05495	14.5
81.03419	41.6
81.07056	17.3
83.04972	5.4
83.08163	0.7
83.08620	11.7
83.30240	0.6
85.02876	2.1
85.06537	1.1
91.05482	13.0
93.07045	20.0
95.04388	0.9
95.04972	15.8
95.08607	17.4
97.02888	4.0
97.06540	3.5
97.10133	2.4
99.04418	2.3
105.07035	8.7
107.04336	0.5
107.04965	7.7
107.08601	14.3
109.02866	0.7
109.06503	2.9
109.10116	1.7
111.04404	2.2
111.08096	3.7
115.05466	1.1
117.07026	5.7
119.04960	1.1
119.08592	11.8
121.06526	4.5
121.09325	0.8
121.10147	9.3
123.08039	1.8
125.05963	1.8
125.09614	1.5
127.03834	0.6
128.06058	0.6
129.07033	5.9
131.08578	5.2
133.06448	1.6
133.10129	4.3
134.10458	0.7
135.08054	1.3
135.11697	23.9
137.09621	0.9
139.07539	0.8
141.06900	0.6
142.07742	1.7
143.08578	0.6
145.10120	17.0
147.07990	1.6
147.11668	4.6
149.09624	3.2
153.12764	0.9
155.08511	0.9
157.10123	5.3
159.11641	0.6
163.11183	36.6
165.12831	1.1
169.10138	0.7
171.08076	0.6
171.11555	0.6
173.09654	1.6
175.11200	5.2
181.12234	6.9
191.10666	1.3
193.12263	13.2
209.11751	1.3
211.13310	2.2
226.31474	0.5
227.12794	35.8
241.14375	0.7
249.14783	0.8
265.14383	1.1
267.15924	84.8
268.16275	2.0
276.20325	0.6
283.15396	52.8
284.15598	0.7
285.17029	0.8
383.22321	1.9
401.23163	1.0
457.25589	2.8
475.26941	100.0
476.27173	3.0
493.27780	3.9
507.29401	1.0
517.27985	1.2
525.30780	2.6
542.35254	0.7
586.21930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.91077	0.5
55.01880	3.3
55.05514	8.3
57.03440	6.5
57.07072	0.7
59.04995	1.3
61.02951	1.0
65.03938	1.0
67.05509	10.1
68.05888	0.6
69.03419	2.0
69.07069	2.5
69.61042	1.4
69.61455	1.3
70.06568	0.6
71.01367	0.7
71.05001	2.5
79.05496	12.4
81.03421	30.9
81.07054	11.9
83.01336	2.6
83.04987	5.2
83.08624	8.9
85.02908	3.0
85.06538	1.2
86.09699	0.7
91.05483	9.4
93.07047	11.5
95.04971	10.5
95.08621	4.5
97.02901	2.4
97.06521	2.2
97.10167	5.3
99.04418	0.6
105.07021	6.9
107.04968	5.2
107.08595	6.9
109.02896	1.5
109.06527	4.2
109.10165	3.9
111.04448	2.0
111.08089	3.2
115.05481	0.6
117.07018	4.1
119.04967	1.3
119.08595	8.1
121.06509	2.7
121.10159	5.6
123.04408	0.7
123.08076	3.7
123.11722	0.4
125.06007	0.9
125.09623	3.8
129.07016	3.7
131.04926	1.1
131.08569	4.9
133.06502	1.7
133.10129	2.5
134.45845	0.4
135.04398	0.7
135.08084	2.4
135.11716	4.3
137.06021	0.5
137.09618	1.3
141.07018	0.5
142.07753	0.5
143.08560	1.2
145.06522	1.6
145.10132	6.0
147.04468	0.7
147.08038	2.3
147.11708	2.7
149.09610	1.8
153.09091	0.8
153.12772	1.5
155.08539	1.1
157.10139	3.5
159.08090	0.5
159.11716	0.7
161.05984	1.8
161.09610	1.1
163.11169	8.5
165.09113	0.5
168.24631	0.4
169.10159	0.8
171.08032	1.0
173.09647	1.9
173.11710	0.5
175.11221	2.7
177.12631	0.5
181.12265	1.3
183.11702	0.6
185.09712	0.5
185.13222	0.6
187.11272	0.6
189.09198	0.8
189.11255	1.1
191.10704	1.3
193.12254	7.8
195.11668	0.9
203.14320	0.4
205.12289	1.0
207.13768	0.5
209.11749	2.1
211.11348	0.6
211.13268	1.6
213.12665	0.6
225.09053	0.5
225.12743	0.8
227.12798	1.9
231.13847	1.6
237.11212	0.5
243.14006	0.7
249.14929	0.7
265.14426	1.2
267.15915	24.4
269.15302	0.8
273.14948	1.9
274.10547	0.4
283.15405	17.8
285.17111	0.5
287.16489	0.6
289.14316	2.4
309.16388	0.4
337.21713	0.5
355.22726	1.6
365.21188	2.3
383.22177	13.7
401.23297	6.4
407.24335	0.6
419.24246	1.8
421.23492	0.5
431.24451	0.8
439.24655	1.7
447.27899	0.6
457.25909	23.2
458.26105	0.5
461.28821	0.6
475.26938	100.0
476.27246	3.3
493.28000	11.2
507.29373	0.7
517.28333	1.4
525.30579	0.6
541.28186	0.5
583.28571	0.6
661.59344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75938	0.3
55.05500	0.3
56.05034	0.6
57.03442	0.3
57.07069	0.5
58.06591	0.5
60.07887	0.4
60.08167	6.4
67.05495	1.1
69.07063	0.5
71.07375	3.2
71.08634	0.6
71.52983	0.4
79.05459	0.7
81.03420	0.4
81.07076	1.6
83.08630	0.4
86.09711	29.8
91.05488	0.5
93.07043	0.8
95.04980	0.3
95.08606	0.7
98.98461	2.7
104.10759	1.8
105.07020	0.4
107.08568	0.4
109.10144	0.4
113.98711	0.3
125.00014	19.3
133.10185	0.3
153.61935	0.3
184.07352	100.0
185.07813	0.4
199.13197	0.3
244.28000	0.4
259.31433	0.3
269.17395	0.4
287.18399	0.5
313.27426	0.7
319.23444	0.3
470.03519	0.3
481.38885	1.8
481.65054	0.3
525.40967	0.7
588.09381	0.4
690.46112	0.6
722.49677	9.0
723.50055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
55.05515	10.7
57.03444	10.0
59.05006	0.7
65.03959	1.3
67.05507	18.2
69.03426	2.8
69.07070	4.9
70.11668	0.6
70.12003	2.1
71.05001	2.8
78.72624	0.5
79.05498	16.4
81.03422	75.2
81.07060	17.2
83.04983	8.6
83.08623	20.8
85.02905	10.4
85.06548	1.3
91.05485	20.7
93.07044	12.5
95.04971	27.6
95.08614	8.0
97.02885	2.5
97.06538	3.1
97.10182	4.3
99.08131	1.0
105.07037	17.2
107.04959	7.5
107.08597	6.6
109.06517	4.9
109.10178	3.3
111.04485	2.1
111.08092	9.0
113.06005	1.2
115.05499	0.8
117.07053	2.5
119.04923	0.9
119.08588	16.6
121.06512	3.3
121.10138	7.1
123.04377	1.0
123.08065	2.9
123.11692	1.3
125.09650	4.1
129.07013	11.2
131.08572	11.7
131.09529	0.8
133.06528	4.2
133.10149	7.7
135.04390	0.7
135.08102	1.0
135.11768	0.8
137.09622	2.0
142.07845	2.6
143.08556	0.9
145.06491	4.5
145.10126	2.6
146.11166	0.5
147.08049	4.7
147.11693	10.3
149.09613	5.7
153.09106	0.7
155.08435	0.8
157.06517	0.7
157.10132	13.6
157.11324	0.9
159.08040	0.9
161.06035	0.9
161.09689	0.6
163.11180	2.2
165.12781	2.6
169.10138	1.0
171.08090	1.6
171.11761	1.1
173.11858	0.7
175.11176	11.0
175.12567	0.9
183.11720	0.7
185.09656	0.7
185.13258	0.8
187.11215	0.9
189.11189	0.8
193.12251	30.6
195.11777	0.7
197.13335	1.0
205.12253	0.7
211.13286	12.9
215.10451	0.5
215.14398	1.1
223.13216	1.0
227.12709	1.0
229.14337	1.9
231.13760	0.8
232.83865	0.6
233.15329	1.3
249.15010	2.0
255.13817	2.1
257.15659	0.6
259.13327	0.7
267.15921	100.0
268.16251	1.2
273.14856	3.8
285.16989	13.5
323.18979	0.8
325.05154	0.5
339.23019	0.7
341.21185	1.8
349.21741	3.1
357.24039	0.8
367.22665	10.2
367.26907	0.9
385.23669	9.3
403.24954	3.3
405.24298	1.1
415.24918	0.9
423.24939	0.6
433.25928	14.8
441.26364	6.9
449.28214	0.6
459.27438	76.9
460.27786	2.1
463.35431	0.6
477.28516	44.6
478.28793	1.8
491.30237	0.8
501.28482	0.6
506.64780	0.6
509.30887	1.1
519.29242	1.2
525.28491	0.5
585.30579	1.2
603.31793	0.9
621.32422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.0
54.47910	2.3
55.01667	1.9
55.01878	19.5
55.05513	43.6
56.27460	2.1
57.03442	18.1
61.02917	8.7
65.03926	7.6
67.05509	76.3
69.03438	27.0
69.07072	34.1
69.72052	9.5
69.72455	4.6
71.04993	10.8
73.02914	4.4
79.05495	76.9
79.27308	2.0
81.03422	100.0
81.07060	90.8
83.04993	27.6
83.08154	2.6
83.08620	32.4
85.02910	19.8
85.06551	6.3
86.93217	1.9
91.04909	3.7
91.05483	74.1
92.05811	2.4
93.07050	58.1
94.01628	2.1
95.04380	2.6
95.04974	37.9
95.08618	43.6
97.02899	19.9
97.06535	25.0
97.10180	18.0
99.04440	8.0
99.08091	2.6
101.02390	2.7
103.05462	4.4
105.04491	3.2
105.07041	62.8
107.04960	24.1
107.08600	45.8
109.02870	12.6
109.06528	14.0
109.10159	32.1
111.04424	9.6
111.08090	14.2
113.06060	2.7
115.05450	4.9
117.03440	2.2
117.07031	31.4
119.08590	59.1
121.06512	13.2
121.10147	26.4
123.04395	5.3
123.08065	9.5
123.11711	8.8
125.09638	13.7
127.03909	12.1
128.06204	4.0
129.05486	4.9
129.07005	23.4
131.08572	39.5
133.06490	6.8
133.10139	35.1
135.04404	2.7
135.08032	11.7
135.11716	15.0
137.05913	2.1
137.09615	8.0
141.06984	6.4
142.07756	4.2
143.08548	14.2
144.09171	2.6
145.06479	7.1
145.10136	29.4
147.04346	2.2
147.08047	6.8
147.10587	1.4
147.11688	33.0
149.05922	2.9
149.09641	22.1
149.13260	3.5
151.11174	5.8
153.09096	2.4
153.12721	2.9
155.08551	7.7
157.10136	21.1
159.08080	4.3
159.11700	17.9
161.05983	2.9
161.09619	7.6
161.13216	5.7
163.03885	3.4
163.11172	15.6
165.09119	2.3
165.12741	8.3
167.08615	2.5
169.10106	6.3
171.08115	2.3
171.11668	9.3
173.04448	9.9
173.05768	2.9
173.09628	5.4
173.13228	9.3
175.11232	12.5
175.14827	2.3
177.12755	5.0
179.14320	5.1
181.10139	4.7
181.12254	4.0
183.11708	6.7
185.09695	4.2
185.13329	7.0
187.11208	5.3
187.14783	3.5
189.11212	6.5
189.12730	2.9
191.10732	3.1
191.14330	2.4
193.10472	2.7
193.12254	32.3
195.11693	6.7
195.13773	2.1
197.13235	5.1
205.12164	2.7
209.13474	2.5
211.13272	39.6
211.15042	4.1
213.14812	2.6
217.15994	3.6
225.12718	2.6
227.12762	19.4
229.14290	7.6
229.19640	2.2
239.17961	2.7
247.16753	2.7
247.20563	3.8
249.14804	2.6
257.19083	10.3
267.13525	3.0
267.15948	22.2
269.17465	3.0
273.18576	4.2
275.20071	67.9
285.17032	20.7
291.19525	4.5
293.21130	10.2
301.13989	2.9
313.21585	5.7
315.23019	2.3
331.22644	4.9
349.23758	44.8
376.06860	2.2
411.20145	5.1
419.24350	3.2
429.20908	12.7
431.28592	4.1
433.25894	6.9
439.26706	3.3
447.27475	2.6
449.30280	2.9
461.29034	4.5
467.31451	2.8
513.35089	3.6
523.34717	5.1
531.36249	4.9
541.35327	56.7
559.36322	52.3
560.36401	2.4
583.36084	2.7
623.34027	2.8
667.38116	6.9
685.38916	8.5
703.40442	33.9
721.39508	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	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03949	3.6
55.01869	2.8
55.05519	7.6
57.03439	5.6
65.03940	0.8
67.05145	1.0
67.05503	19.8
69.03428	2.0
69.07078	5.8
69.35487	2.4
69.35905	3.1
70.78636	0.8
71.04984	2.1
79.05495	28.9
81.03422	40.7
81.07058	18.7
83.04992	6.7
83.08624	10.4
85.02917	1.3
85.05318	0.6
85.06538	2.0
89.97421	0.6
91.05487	27.1
91.37114	0.6
93.04263	0.7
93.07048	28.0
95.04971	18.3
95.08614	13.2
97.02894	2.7
97.06538	3.0
97.10171	1.9
99.08097	0.8
103.05465	0.7
105.04542	1.3
105.07030	19.2
107.04958	4.3
107.08595	8.3
109.02908	0.8
109.06509	3.8
109.10151	3.1
111.04441	1.4
111.08060	3.5
113.96822	0.9
114.65820	0.6
115.05508	0.8
117.07026	4.8
119.08588	15.2
121.06523	2.7
121.10163	3.1
123.08086	2.8
125.09649	1.2
128.06178	0.9
129.06995	10.5
131.08577	5.6
133.06499	1.1
133.10155	7.9
135.08051	0.7
135.11665	0.9
137.09593	1.1
141.06975	1.1
142.07790	1.4
143.08536	3.3
145.06464	1.2
145.10127	5.2
147.08070	3.3
147.11699	19.3
149.09622	2.3
156.09381	1.2
157.10164	4.5
159.11736	1.7
161.09628	2.0
161.13274	4.8
163.11195	1.7
171.11687	9.8
175.11220	5.0
189.12773	2.3
193.12254	9.3
195.11797	0.9
207.13843	7.5
249.15086	1.2
267.15942	33.4
281.17490	28.7
375.84113	0.7
386.05438	0.7
388.43152	0.7
421.25925	1.3
455.28024	1.2
473.29013	100.0
474.29352	2.7
478.97961	0.8
491.30011	2.5
515.29681	1.4
529.18439	0.9
541.35547	1.3
555.89844	0.8
558.34637	0.8
581.31317	0.9
593.27826	0.8
720.40497	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14236	1.5
51.24235	1.3
52.40194	1.4
53.03957	2.3
54.29138	1.2
55.05518	11.1
57.03442	13.6
57.07078	27.0
61.02925	3.7
65.03942	1.5
67.05512	23.2
69.03425	2.1
69.07072	13.1
69.28664	12.2
69.32963	1.4
71.04996	4.2
71.08640	20.7
72.76129	1.6
73.02929	2.2
79.05494	17.2
81.03423	40.1
81.07054	24.4
83.04984	11.2
83.08622	26.4
83.09114	1.9
85.02909	20.1
85.10175	13.1
85.45698	1.3
86.09701	1.7
91.03973	1.4
91.05483	24.8
93.07047	11.7
95.04976	15.2
95.08611	25.1
97.02901	4.5
97.06528	4.0
97.10172	7.1
99.08148	1.3
105.07046	16.2
107.04954	3.8
107.08615	5.5
109.06529	4.0
109.10159	11.9
111.08096	5.9
111.11674	2.0
113.06035	2.7
119.08600	11.9
121.10186	7.7
123.08065	2.0
123.11729	3.6
124.99994	2.1
126.09910	1.3
129.07027	6.1
131.08553	8.2
133.06517	2.2
133.10097	8.9
137.09587	2.2
137.13278	1.8
142.07784	2.2
147.07976	1.9
147.11710	12.5
149.09641	5.1
151.90013	1.4
152.75063	1.3
157.10132	11.1
158.98962	1.5
165.12732	3.1
175.11162	9.2
184.07326	9.6
193.10904	0.9
193.12256	30.3
211.13312	49.0
212.13742	1.4
239.23647	2.3
267.15924	17.7
285.16974	62.3
311.25952	1.9
313.27383	69.9
465.35919	6.7
505.39011	17.1
523.39966	100.0
524.40332	3.3
541.39514	2.0
557.64008	1.6
720.45221	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	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05511	9.8
57.03442	9.2
57.07080	23.3
58.06593	1.1
60.05651	1.5
67.05503	15.0
69.03428	3.2
69.07063	8.1
71.04979	3.1
71.08635	16.0
74.69645	1.1
79.05496	8.8
81.03424	30.9
81.07061	23.2
83.04999	7.3
83.08146	2.0
83.08622	18.3
85.02909	11.4
85.10192	7.7
91.05474	12.2
92.05844	1.1
93.07066	7.4
95.04974	13.1
95.08614	15.8
97.02924	2.3
97.06519	2.3
97.10181	4.6
98.20706	2.6
99.00219	1.1
99.08112	1.5
105.07023	7.7
106.76941	1.1
107.04945	3.0
107.08581	3.2
109.06525	2.0
109.10169	7.2
111.04446	1.3
111.08076	5.8
119.08570	9.4
121.10152	6.5
123.07989	1.2
123.11712	3.3
129.07005	4.4
131.08583	5.3
133.06528	1.3
133.10121	4.9
137.67793	1.2
142.07811	2.3
145.10071	1.7
147.08051	1.7
147.11717	7.2
149.09621	4.1
157.10112	8.2
165.12695	2.0
175.11176	8.0
184.07355	2.3
193.12245	29.2
211.11340	2.3
211.13315	36.5
223.12061	1.3
239.23727	1.8
257.24707	1.3
267.15945	8.8
285.16971	29.3
313.23648	2.1
313.27362	44.3
335.32266	1.2
418.17352	2.0
432.19067	1.3
433.19989	1.5
434.20316	1.7
448.22058	4.8
475.21375	3.3
476.21622	8.0
505.38809	7.8
523.39984	100.0
524.40161	3.2
535.23022	1.2
536.23651	6.1
557.82172	1.4
562.25513	2.2
563.26843	1.9
622.27728	9.5
623.28198	42.6
642.54419	1.2
677.77423	1.2
720.48584	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03933	2.7
55.01862	3.8
55.05274	1.6
55.05513	17.7
57.03199	1.0
57.03444	9.9
57.07080	1.2
58.31813	0.7
58.32140	0.7
59.04992	2.6
61.02916	2.9
65.03941	2.8
67.05509	100.0
68.05838	0.7
69.03442	4.6
69.06734	1.1
69.07072	16.7
71.04980	3.7
71.52316	1.3
73.02900	2.5
73.60229	0.8
74.09712	3.0
79.05496	24.4
81.03420	7.1
81.07062	36.9
83.04972	4.3
83.08219	1.1
83.08621	11.3
85.02911	4.9
85.06559	4.7
91.03952	1.6
91.05486	23.0
93.06494	1.4
93.07050	24.5
95.04969	4.7
95.08075	1.2
95.08621	16.2
97.02882	3.9
97.06541	7.7
97.10179	8.8
99.04396	1.0
99.08090	1.7
103.05463	1.1
105.06397	1.4
105.07041	16.9
105.07714	1.8
107.04959	4.1
107.08606	19.8
109.02858	1.9
109.06508	3.1
109.10162	74.4
109.94015	0.8
110.10475	1.0
111.08106	4.2
115.05422	1.4
117.07035	7.0
119.08593	15.3
119.72304	1.0
121.06499	3.3
121.10143	7.7
123.08059	2.4
123.11724	1.1
125.09641	8.9
127.03924	2.1
129.06992	2.1
131.08577	9.5
133.06500	1.4
133.10141	11.8
135.08038	3.1
135.11700	8.1
137.09647	4.3
141.06989	1.0
143.08545	1.2
145.10110	10.1
147.08060	1.6
147.11726	5.4
149.09627	7.8
149.13228	4.0
153.09018	1.1
155.08528	2.1
155.10675	3.9
157.10115	2.5
159.11699	7.1
161.13260	3.4
163.11201	5.0
165.12769	0.9
169.10156	1.2
171.11649	1.7
173.11769	20.0
173.13268	3.3
175.11217	0.9
177.12714	1.9
179.14372	2.1
184.07385	0.9
187.11111	1.1
189.11223	4.7
189.16713	0.8
195.13794	2.7
197.13196	1.2
212.27504	0.9
227.12785	17.7
229.14359	75.1
239.17950	1.5
244.61032	0.8
255.15878	3.3
257.19016	6.8
269.17468	9.3
275.20068	24.9
284.93283	1.0
293.21033	1.5
325.20340	1.0
331.22693	1.7
349.23782	23.6
367.24701	1.5
381.22223	0.9
383.24255	1.3
399.23779	6.9
407.27701	2.6
409.25851	16.9
413.21271	1.0
423.27432	54.3
424.27682	1.8
463.30347	1.1
485.32516	1.6
503.33728	46.4
504.33795	1.7
521.34949	7.4
543.27753	1.7
557.34570	1.1
567.31616	2.9
670.61523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67712	0.8
53.03931	1.3
55.01867	1.7
55.05507	7.5
57.03436	7.3
57.07082	28.2
61.02913	1.1
65.03943	1.0
67.05180	1.3
67.05506	15.8
69.03428	1.9
69.07073	9.0
71.04969	1.7
71.08636	18.8
73.02912	0.9
77.27689	0.8
79.05070	1.2
79.05499	15.2
81.03394	2.2
81.07063	21.4
83.04980	2.3
83.08626	13.1
84.26499	1.0
85.02894	0.9
85.06493	1.3
85.10187	12.2
89.06042	4.8
91.05493	6.0
92.04321	0.9
93.07047	23.0
95.04957	3.5
95.08614	40.8
95.99451	0.9
96.08921	1.1
97.02872	2.9
97.06530	1.9
97.10159	4.0
99.04420	3.7
103.07561	0.9
105.07013	4.2
107.04955	5.7
107.08604	17.2
109.06504	2.0
109.10167	8.9
111.04436	1.6
111.11733	1.1
117.07014	4.8
119.08598	7.1
121.06501	3.9
121.10168	8.8
123.11674	2.2
125.06001	3.1
133.08620	2.1
133.10167	1.3
134.08884	1.3
135.08070	1.5
135.11699	39.6
135.91887	0.9
136.06201	1.2
139.07550	1.4
145.10132	21.1
154.37991	1.0
162.07747	1.2
163.11185	51.9
178.11627	1.0
179.00626	0.9
181.12247	10.0
184.07413	1.8
209.11630	1.3
217.26196	0.9
223.30995	0.9
227.12790	53.2
239.23775	1.7
257.24677	2.6
283.15414	92.0
313.27377	97.0
314.27808	2.1
475.20856	1.4
521.38409	100.0
522.38660	4.1
571.87103	0.9
622.27869	7.7
718.47858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01872	0.5
55.05501	1.6
57.03433	1.9
59.05002	0.3
61.02927	4.7
67.05511	4.6
69.03437	2.7
69.07067	1.0
71.01372	0.6
71.05009	0.6
73.02922	2.9
79.05489	5.3
81.03421	2.9
81.06593	0.5
81.07064	4.7
83.04965	0.5
83.08624	1.1
85.02912	4.9
87.04442	0.4
90.87849	0.4
91.03961	3.1
91.05489	3.1
93.07053	4.1
95.04955	0.9
95.08601	3.2
97.02897	4.2
98.20614	0.8
99.04460	0.7
99.08115	0.4
101.02412	1.7
103.03922	0.5
105.07045	2.6
107.08585	1.5
109.02893	0.5
109.06545	0.4
109.10163	1.7
111.08088	0.5
115.03959	0.6
117.07045	0.7
117.12468	0.3
119.08611	1.7
121.10169	2.5
123.11661	0.5
127.03931	1.2
129.06987	0.7
131.08597	1.2
133.10110	1.0
133.49681	0.3
135.08153	0.4
135.11682	0.8
145.10094	1.0
147.11665	1.1
149.09689	0.4
149.13286	0.4
155.08568	0.4
157.10143	0.6
159.11699	0.7
164.65678	0.4
185.04231	0.4
193.12210	0.8
203.05431	0.4
211.26790	0.4
229.14096	0.5
243.08430	1.5
251.12534	1.0
307.22806	0.7
467.59070	0.4
469.20453	3.4
469.26620	0.6
491.26181	5.7
719.39642	100.0
720.40118	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	716.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54766	0.9
52.03110	1.1
55.05510	2.7
57.07079	31.1
67.05518	2.3
69.07067	6.3
70.97803	1.3
70.98142	2.2
71.08633	30.7
73.06562	10.0
79.05489	1.7
81.07055	2.1
83.08633	5.3
85.09678	1.1
85.10184	17.9
86.09713	2.6
87.04480	8.5
89.06035	100.0
95.08623	1.6
97.10171	5.8
99.11750	2.2
102.00043	1.2
107.07067	2.5
111.11720	2.8
113.13285	2.1
117.09139	8.4
121.10113	1.3
123.79861	1.0
125.13317	1.8
127.14841	2.0
130.08650	4.0
131.07042	2.9
133.08612	57.2
139.14803	1.1
142.63435	1.2
161.11752	2.9
164.11606	1.0
175.09688	2.5
177.11227	25.6
184.07407	6.7
197.22693	2.0
219.12410	1.6
221.13797	4.9
230.64391	1.0
241.25291	3.1
285.27927	10.6
302.07129	1.0
327.19678	1.2
329.30478	5.1
455.36325	1.1
503.30566	3.8
699.52362	6.7
716.56506	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	717.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01868	0.8
55.05510	2.0
57.03435	2.0
57.07066	0.3
60.99254	0.3
61.02928	4.9
65.03932	0.4
66.20695	0.3
67.05179	0.5
67.05509	5.8
69.03430	2.8
69.07068	1.0
71.05000	0.5
73.02921	4.0
74.33117	0.4
79.05497	7.4
79.06511	0.4
80.05827	0.5
81.03418	2.6
81.07062	5.0
83.05005	0.5
83.08620	1.4
85.02907	6.1
91.03944	3.5
91.05480	3.4
92.01214	0.3
93.07042	5.8
95.04977	1.0
95.08612	4.2
97.02885	4.8
97.06496	0.8
97.10174	0.8
99.04449	0.9
101.02364	1.7
103.03968	0.6
105.04539	0.3
105.07068	1.9
107.04984	0.6
107.08607	2.8
109.02866	0.8
109.10153	1.6
111.08044	0.4
112.90846	0.4
115.03958	0.6
117.07030	0.7
119.08584	1.5
121.06551	0.4
121.10136	3.9
122.10439	0.4
127.03925	1.5
131.08595	1.0
133.10146	1.9
135.11690	2.1
145.10133	1.9
147.11702	0.7
149.13306	0.5
151.11238	0.5
159.11780	0.6
163.11174	2.1
178.55498	0.5
184.07307	0.5
193.12239	0.4
212.13698	0.4
227.12895	1.1
243.08324	2.3
248.09358	0.4
249.10991	10.8
263.61597	0.3
267.70111	0.3
305.13763	1.1
307.22791	1.2
308.23337	0.5
467.18857	4.6
491.26080	7.7
492.26306	0.5
502.35263	0.5
519.36176	0.7
520.36359	1.3
606.19250	0.4
717.38062	100.0
718.38251	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	716.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84459	0.9
53.03939	1.5
55.01871	4.2
55.05516	17.0
57.03445	8.7
57.07065	1.5
59.05000	3.3
61.02938	2.2
61.47840	0.9
65.03938	3.1
67.05508	78.7
68.21430	1.0
69.03436	7.4
69.06734	1.5
69.07076	19.7
71.04996	3.6
71.41921	1.8
73.71214	0.9
74.86320	1.0
79.05499	15.4
80.31595	0.9
81.03413	5.4
81.07059	24.8
83.04981	2.9
83.08617	9.7
85.02924	3.1
85.06544	3.4
87.04442	1.1
91.05487	16.5
93.07053	16.4
93.80362	1.0
95.04989	5.9
95.05485	1.2
95.08620	11.7
97.02897	8.0
97.06522	3.3
97.10177	9.7
99.08125	1.1
105.07029	10.4
107.04964	4.3
107.08586	9.4
109.06519	2.6
109.10162	59.4
111.08082	2.9
117.07053	3.9
119.04913	1.0
119.08582	10.4
121.06511	2.2
121.10180	3.3
123.08069	3.6
123.11698	1.1
124.99992	0.9
125.09628	7.1
127.11243	0.9
129.07024	1.1
131.08588	6.2
133.06491	2.4
133.10172	5.4
135.08073	3.6
135.11725	2.3
136.06221	4.5
137.09616	4.2
142.07860	1.0
143.08548	3.1
145.10109	4.4
147.08055	4.0
147.11743	2.5
149.13260	1.4
153.09123	1.7
155.10670	4.2
157.10078	2.4
159.11742	1.5
161.09616	1.1
161.93585	1.0
163.11270	1.0
171.11719	2.3
173.11731	15.1
175.11249	1.7
177.12769	1.6
184.07387	1.7
189.11237	3.1
193.12263	1.4
195.09975	1.1
195.13728	1.5
205.12186	1.7
223.13260	14.5
223.15216	1.4
227.12794	4.7
229.14366	70.4
230.14690	2.0
245.18993	1.1
247.43896	1.0
249.14905	2.8
253.14381	3.1
267.15924	1.6
273.18524	11.7
275.19946	1.3
291.19562	78.2
292.19736	2.3
309.87646	0.9
339.81143	1.0
347.22137	1.9
365.23248	40.9
399.23929	1.5
439.26770	2.6
501.31848	2.5
519.33203	100.0
520.33429	3.7
537.33990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3424
Annotation	Nummularine O
Peak:m/z	Relative Intensity
51.92071	0.9
52.56880	1.0
53.03948	2.2
55.01870	2.8
55.05514	9.7
56.05029	3.4
57.03445	5.8
58.99591	3.9
60.04536	2.2
61.02925	2.3
62.96600	1.0
63.03638	0.9
65.03950	1.7
67.05505	14.1
68.05027	1.5
69.03429	4.3
69.07080	6.7
70.02592	1.7
70.02960	26.0
70.06603	2.8
71.01348	3.2
71.05002	2.6
71.06120	1.0
71.52935	1.2
72.04545	1.0
73.02921	13.0
74.00684	1.0
74.02441	2.9
76.02233	4.5
76.04003	8.8
79.05497	10.5
80.04997	1.8
81.03405	3.7
81.07066	14.6
82.06567	2.8
83.04978	2.2
83.06115	2.1
83.08633	1.5
84.04510	19.4
84.08110	1.0
85.02911	4.4
85.06574	1.6
86.06060	1.9
86.99063	2.0
87.72137	1.0
88.04000	3.2
90.67097	0.9
91.05486	13.3
92.73177	1.0
93.07053	11.0
93.89694	0.9
95.05003	2.2
95.08615	8.9
95.18448	0.9
96.04485	1.1
96.08148	1.4
97.01118	4.7
97.02908	4.6
97.06537	1.6
98.06080	1.6
99.02692	1.6
99.05573	13.9
99.08098	1.1
100.02214	1.1
103.05032	1.5
105.07043	13.6
106.06555	3.0
107.04961	1.9
107.06068	1.3
107.08617	6.0
108.08157	1.2
109.07652	4.4
109.10161	4.2
110.06042	2.0
111.02677	3.8
112.02192	2.5
112.04008	1.2
112.07586	1.7
114.05556	1.5
115.03968	1.0
115.05468	4.0
116.01701	6.0
116.03497	4.7
116.06230	1.4
117.07042	9.0
119.08600	10.3
120.08123	1.2
121.06499	1.0
121.10172	3.2
123.02671	3.5
123.11697	1.1
125.04201	1.3
125.07138	2.8
125.09554	1.2
126.05518	1.7
126.09128	2.4
127.05035	2.0
128.06236	7.0
129.07042	14.7
130.05014	11.8
130.07788	4.0
131.08566	17.9
132.08096	2.9
133.06473	0.9
133.08791	1.1
133.10139	6.3
134.09605	2.1
135.02631	4.0
135.08096	1.5
135.11670	1.1
137.04182	6.2
137.05998	1.3
138.03610	1.0
140.01668	1.9
140.05316	0.9
141.06999	3.5
142.03241	4.2
142.07806	6.8
143.08582	15.0
144.01158	2.0
144.08134	1.8
144.09348	2.8
145.06094	100.0
145.10101	14.0
146.09673	4.8
147.02625	5.6
147.10571	1.9
147.11716	4.5
148.11234	1.6
149.04207	5.8
150.03716	1.4
151.05797	1.1
153.06667	3.0
155.08267	6.7
156.09378	2.0
157.10129	13.7
158.09686	2.1
159.11702	6.3
160.11253	5.3
161.04253	5.6
161.11989	1.4
162.02251	2.7
163.05797	4.2
164.07080	2.0
165.07338	2.7
167.08591	2.0
169.06128	3.6
169.10167	3.7
170.02660	1.8
170.08234	1.1
171.07727	1.3
171.11674	8.4
172.06198	1.2
172.11206	2.3
173.04225	2.2
173.13289	2.2
174.12816	3.7
175.05777	7.5
177.03360	2.3
177.05728	1.2
177.07375	3.4
179.04871	1.5
179.08954	2.1
180.06598	1.4
181.06259	1.9
183.11713	2.1
185.13255	2.5
187.05820	3.5
189.03458	2.0
189.07281	5.7
191.05109	1.0
191.08922	1.9
199.07147	4.0
199.14850	1.2
200.14503	1.2
201.03720	1.3
201.07277	5.7
203.05237	1.6
203.08902	2.1
208.06024	2.5
211.07130	1.6
213.08929	1.6
215.05055	2.2
217.10506	1.4
219.17493	1.5
231.04343	2.7
231.08269	1.0
233.05981	2.1
235.20642	1.5
241.19527	1.2
243.04375	3.2
243.08302	1.5
243.12036	1.5
246.18442	1.1
251.14886	1.0
257.19009	2.0
259.20587	63.9
260.20847	1.1
273.16843	1.5
274.10394	10.4
275.22552	1.3
276.23242	7.6
291.17773	7.3
293.19324	10.7
299.18283	1.8
300.23254	1.1
301.21451	1.5
302.24625	1.2
308.09109	3.3
308.12302	1.7
317.19351	5.6
334.21762	9.1
342.43982	1.0
344.20358	1.3
345.18881	5.2
357.18408	3.5
362.21536	6.9
388.24762	1.7
391.24588	3.2
397.21457	3.1
400.23154	6.6
419.23996	1.7
420.22101	2.9
428.22629	2.1
437.24725	96.1
438.25119	2.5
455.25656	3.8
479.25983	1.2
491.25821	7.1
503.25885	3.1
509.26843	1.5
533.26575	1.2
548.27722	1.7
566.29010	55.4
569.28906	12.3
584.29510	2.2
644.30005	1.8
698.32709	4.6
716.34589	5.8
717.30731	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	714.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01878	7.6
55.05509	25.7
57.03431	14.4
57.07070	8.0
60.08181	4.6
61.62753	4.4
65.03929	6.5
67.05508	79.6
69.07073	20.6
70.46140	13.9
70.61087	4.9
71.05014	7.6
71.08638	4.6
76.00768	5.1
79.05502	52.3
81.03433	9.1
81.07066	70.8
83.08627	14.2
85.06519	4.7
86.09721	32.8
91.05493	33.0
93.07047	48.5
95.04967	9.3
95.08616	42.7
97.10132	7.9
103.37689	4.8
105.07037	33.9
107.08588	31.7
109.10183	32.7
117.06984	10.6
118.75446	4.8
119.08599	28.3
121.10109	23.0
125.00019	20.8
131.08554	12.5
133.10127	21.2
135.08060	6.5
135.11688	9.7
137.09637	7.3
145.10094	15.3
147.11746	7.4
149.13269	12.3
159.11707	9.0
161.13237	9.7
163.07542	5.4
165.12750	9.7
171.11766	5.8
173.13228	9.2
183.11665	5.2
184.05775	10.3
184.07336	100.0
199.09689	7.4
199.21103	5.7
227.12679	9.2
229.14375	39.6
239.16399	9.5
240.69354	5.2
241.17966	5.5
252.89223	5.8
255.12314	17.5
261.22266	6.0
262.25330	9.4
335.25876	45.8
337.27292	6.5
350.75430	5.1
489.35736	15.9
499.37915	12.8
517.39886	37.2
611.98145	5.7
714.40186	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	714.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01873	13.4
55.05274	4.1
55.05516	45.7
57.03442	18.6
57.07068	5.4
59.04192	1.7
65.03932	5.1
67.05509	100.0
69.03435	7.7
69.07073	27.3
71.04984	7.3
71.08636	20.5
71.52654	2.9
79.05496	67.4
80.01421	2.0
81.03427	35.2
81.07061	79.8
83.04993	18.8
83.08624	32.2
85.02913	13.6
85.06538	5.2
85.10201	2.5
85.82510	2.2
86.09708	6.9
91.05487	74.4
91.46128	2.0
93.07051	74.9
94.07375	3.3
95.04967	28.3
95.08615	52.5
97.02904	2.8
97.06538	13.4
97.07052	2.3
97.10175	26.3
98.01839	2.1
99.08109	14.5
105.07038	28.8
106.37542	2.3
107.04952	14.3
107.08604	41.2
108.08926	3.8
109.06535	7.3
109.10160	34.5
111.04462	7.4
111.08092	12.7
113.06191	2.1
117.07026	17.9
119.08592	59.6
121.06493	9.1
121.10151	29.4
123.08066	9.0
123.11697	5.8
125.00014	5.7
125.09646	22.3
129.07007	7.1
131.08588	18.9
133.06453	2.6
133.10146	20.3
135.08054	14.1
135.11697	17.4
136.08401	2.2
137.09627	28.7
139.11133	2.4
143.08560	3.2
145.10118	18.2
147.08061	4.8
147.11687	12.9
149.09610	7.7
149.13245	11.6
151.11179	16.5
152.05692	5.7
153.09099	8.9
157.10175	5.6
159.11723	10.3
161.09639	2.3
161.13254	7.9
163.07578	5.8
163.11194	22.8
163.12416	3.2
163.14848	4.6
164.07994	3.1
165.09125	18.7
165.12764	9.2
171.10275	3.4
171.11662	4.2
173.11790	2.8
173.13257	4.8
175.11221	3.5
175.14853	3.0
177.12749	6.8
179.14345	4.9
183.10147	10.4
184.07376	23.0
185.07631	3.0
187.11226	2.4
189.11255	17.2
193.12288	2.5
195.13826	7.2
199.09726	4.1
200.09988	2.9
215.17896	2.5
223.13354	6.4
227.12798	35.1
229.14256	2.8
239.12851	9.4
243.21361	3.1
247.20676	2.5
255.12352	5.7
257.13910	38.1
257.18954	2.4
259.20599	3.4
261.22177	9.3
262.25357	3.6
267.15982	5.8
269.17520	24.8
275.20071	28.7
277.21625	15.6
285.17322	2.4
293.21146	61.5
298.68893	2.1
307.22705	4.3
311.22122	4.0
335.25815	50.1
336.26187	4.7
337.26627	3.6
349.23730	10.2
351.25354	17.8
367.24841	28.6
385.25821	5.3
433.29282	2.3
439.26840	6.4
445.29456	2.2
499.34174	13.3
517.35236	69.0
530.24048	2.0
543.36938	6.7
545.37903	2.6
561.37939	24.7
579.38696	11.5
613.96667	2.3
643.45575	10.8
661.46368	6.1
714.43726	2.4
722.00568	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	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84123	2.6
55.05508	11.9
57.03430	7.5
57.07086	3.3
60.08147	7.6
66.48170	2.7
67.05512	37.6
69.07059	9.6
69.59606	4.9
69.59996	15.9
71.05005	3.6
71.07385	4.5
79.05484	20.9
81.03426	3.8
81.07059	40.3
83.08617	7.2
86.09705	33.9
91.05489	21.7
93.07047	23.5
95.04955	3.8
95.08613	24.7
97.02885	2.7
97.10189	4.6
105.07043	18.5
107.08582	14.6
109.10154	23.4
111.04378	2.4
111.08092	3.7
117.07036	6.7
119.08569	15.0
121.10133	10.1
123.08033	2.9
125.00008	18.1
129.07030	3.7
131.08559	5.6
133.10132	9.6
135.11726	7.2
143.08543	4.1
145.10136	8.3
147.11679	7.8
157.10106	3.2
159.11610	2.6
161.09654	2.6
161.13264	4.2
165.12747	5.4
171.11719	2.5
173.11795	5.1
173.13261	2.9
184.07350	100.0
187.14758	3.2
229.14319	24.3
239.16469	7.8
258.51355	2.7
261.22049	5.8
285.16995	4.4
287.10077	2.6
298.07507	2.9
301.44995	2.3
335.25815	31.4
367.24661	3.1
425.34464	6.0
489.35205	13.2
499.37781	7.5
517.39349	25.7
552.67377	2.7
578.59509	3.1
714.46716	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	714.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63838	0.9
50.79091	1.0
53.03945	3.4
55.01867	3.0
55.05278	1.1
55.05515	13.4
57.03157	1.3
57.03438	14.5
57.07062	0.9
60.08159	0.8
61.02924	3.6
65.03938	3.5
67.05508	58.2
68.05838	1.2
69.01077	0.8
69.03421	3.5
69.07065	13.9
69.97510	1.5
69.97905	2.5
71.04987	3.1
71.08629	2.3
79.05496	33.6
81.03422	39.4
81.07061	44.5
83.04966	3.8
83.08627	6.2
85.02911	15.1
85.06544	1.8
86.09695	3.2
91.05484	73.3
93.07047	54.3
95.04982	6.7
95.08611	51.3
97.02870	3.0
97.06539	4.2
97.10155	3.0
99.08064	1.7
101.89991	0.9
103.05461	1.0
105.07035	14.5
107.08592	18.7
109.06499	2.1
109.10165	27.2
111.04488	1.2
111.08054	2.6
112.25745	0.8
113.38189	1.0
117.07024	7.3
119.08586	84.8
121.06527	5.4
121.10146	17.8
123.08057	3.5
123.11717	5.1
123.99609	0.9
125.00028	1.7
125.09621	3.8
127.07477	1.1
128.06197	1.1
129.07007	2.4
131.08572	6.5
133.10107	7.1
134.85358	0.8
135.03012	1.0
135.08012	2.0
135.11703	8.5
136.06128	1.5
137.09622	37.6
143.08553	1.2
145.10097	6.2
147.08054	5.7
147.11676	4.5
149.09578	1.4
149.13268	5.0
151.11208	2.2
152.05687	6.5
153.09138	1.3
157.10178	1.4
159.11671	5.1
161.13255	3.6
163.11195	2.2
163.14854	2.5
165.09125	31.9
171.11696	1.6
173.13263	3.7
177.12886	1.0
183.10184	15.9
183.11713	0.8
184.07368	8.1
187.14902	2.4
189.11250	1.3
193.12251	2.2
199.09764	1.0
215.17979	1.1
227.12779	3.1
239.12798	15.3
243.21066	3.9
255.12209	1.1
257.13852	54.5
259.20523	1.2
261.22147	12.2
262.25266	1.8
267.15805	4.4
269.17480	2.3
275.20184	1.2
277.21640	1.8
293.21024	4.1
307.22650	4.2
317.24652	2.5
335.25815	80.4
336.25864	2.0
367.25058	1.3
407.29285	2.6
425.30688	1.8
453.29590	0.9
484.34793	1.0
499.34207	15.0
517.35291	100.0
518.35510	3.5
535.36096	1.1
543.36102	1.1
561.37787	1.6
579.38928	1.1
643.45367	1.4
714.43524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01878	3.4
55.05513	18.7
57.03441	20.9
61.02936	5.8
65.03941	3.5
66.51002	1.0
67.05507	65.5
69.03439	5.4
69.07072	15.5
69.79581	4.4
71.04990	4.5
71.08621	1.6
73.02926	1.8
77.03928	1.9
79.05493	44.5
81.03420	57.0
81.07057	57.3
83.04993	6.5
83.08624	8.2
85.02906	16.0
85.06543	2.0
90.22339	1.0
91.03964	3.7
91.05483	91.3
93.07048	67.9
95.04965	8.6
95.08613	57.5
97.02883	4.4
97.06545	3.5
97.10200	2.7
97.61269	1.0
98.20892	1.6
99.08113	2.4
101.06068	1.1
103.05435	1.4
105.04502	1.6
105.07040	22.5
105.07772	1.4
107.04955	2.3
107.08595	19.5
109.06525	3.8
109.10156	32.7
111.08093	3.7
117.07014	9.9
119.08585	100.0
121.06518	5.0
121.10143	23.0
123.08068	3.7
123.11700	6.4
129.06967	5.3
131.08577	10.5
133.10138	10.1
133.41333	1.3
135.08102	2.8
135.11705	15.3
137.09621	45.4
137.13237	1.6
142.15134	1.1
143.08559	2.5
145.10133	9.2
147.08066	11.1
147.11697	9.2
147.78732	1.0
149.09607	1.5
149.13289	5.3
157.10164	2.3
159.11707	4.5
161.13280	3.0
161.43384	1.1
163.14777	1.9
165.09114	38.9
169.10129	1.5
171.11642	1.4
173.13266	5.8
175.14859	2.5
177.16443	1.3
183.10170	17.2
183.11649	2.1
185.13342	1.5
187.14850	3.1
193.12305	3.5
211.13383	2.7
215.17943	3.1
233.19002	2.4
233.22723	1.2
239.12772	16.8
243.21129	4.4
255.12297	1.6
257.13843	81.7
258.14099	1.3
261.22162	15.1
267.15979	4.8
285.16980	9.4
293.21146	1.8
299.23798	1.2
307.22745	16.4
317.24854	3.0
335.25815	90.9
336.25958	1.4
389.28699	1.7
407.29578	5.6
425.30399	2.6
443.31543	1.6
497.90262	1.4
499.34149	16.3
502.41400	1.1
513.78351	1.2
517.35260	88.2
518.35388	3.0
561.37335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21652	0.7
53.03944	2.9
54.78538	0.8
55.01865	2.3
55.05267	1.1
55.05513	13.9
55.49657	0.7
57.03192	0.9
57.03442	9.5
57.07084	1.3
57.13168	0.6
58.87025	0.7
61.02918	2.4
65.03931	1.5
65.82515	0.7
67.05508	37.4
69.03414	2.3
69.07069	8.1
69.73827	2.7
71.04981	2.2
73.02936	0.8
74.23657	0.8
74.41181	0.7
79.05496	40.9
80.05839	0.7
81.02940	1.1
81.03421	31.9
81.07055	34.3
83.04986	6.3
83.08618	15.2
85.02421	1.4
85.02900	12.0
85.06545	2.1
90.24046	0.7
91.03966	1.1
91.05483	26.5
91.57765	0.7
93.07048	38.8
94.07390	0.7
95.04971	14.8
95.08608	22.6
97.02903	2.3
97.06520	3.9
97.10167	3.0
99.08114	2.3
102.70812	0.8
105.04508	1.3
105.07028	17.7
107.04969	3.4
107.08599	16.1
109.06514	3.4
109.10164	9.3
111.04454	2.0
111.08091	5.3
113.06052	0.8
117.07029	4.3
119.08589	15.3
121.06531	1.6
121.10142	18.7
122.10488	1.1
123.08065	2.4
123.11713	3.6
125.09658	3.0
129.07010	6.6
131.08583	11.7
133.06509	1.7
133.10132	11.2
135.07996	1.2
135.11694	10.8
137.09630	2.5
139.11243	0.9
140.96504	0.8
145.10112	7.2
147.08046	2.1
147.11696	11.0
149.09625	4.1
149.13297	4.0
151.11238	2.0
152.05731	0.9
155.08563	1.0
157.10127	6.4
159.11705	3.9
161.13155	1.2
163.11221	2.6
165.09119	1.4
165.12787	2.5
171.11772	1.3
173.13278	3.6
175.11191	7.8
175.14824	0.7
184.07339	0.8
185.13182	1.0
187.14793	1.5
193.12245	19.6
205.16089	0.9
211.13290	23.8
215.17935	7.5
227.12775	1.2
229.14406	0.9
233.18988	7.6
257.13831	1.2
267.15878	8.9
275.20105	1.3
285.16980	37.6
286.17371	0.8
293.21161	2.3
307.22684	64.7
308.23099	2.5
309.23325	1.2
312.32666	0.8
335.25967	1.9
337.72546	0.8
351.25500	1.0
407.29190	1.1
425.30652	1.7
429.21121	1.1
443.31677	1.0
463.66748	0.8
499.34189	9.0
517.35266	100.0
518.35602	3.0
561.37561	1.5
610.67175	0.8
661.39264	1.1
714.42004	1.3
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
50.01605	0.7
52.88496	0.5
53.03955	4.2
55.01882	3.2
55.05519	19.2
55.05762	0.8
57.03444	17.6
57.07040	2.1
59.04973	1.1
61.02931	4.3
65.03955	3.3
67.05511	54.3
69.03439	4.2
69.07077	10.3
71.05003	4.8
73.02876	1.6
77.03917	1.1
79.05500	55.8
81.03426	49.7
81.07063	48.3
83.04988	11.6
83.08626	20.1
85.02914	22.1
85.06557	3.1
91.03910	2.0
91.05488	40.1
93.07052	56.8
95.04400	1.0
95.04975	19.3
95.08617	30.0
97.02891	4.0
97.06547	5.5
97.10175	4.2
99.04438	0.9
99.08102	3.7
103.05454	1.1
105.04484	1.8
105.07039	29.1
107.04971	4.5
107.08608	18.1
108.40191	0.6
109.06526	4.3
109.10169	11.7
111.04400	1.4
111.08097	5.5
113.05996	2.3
113.09617	0.8
115.05433	1.5
117.07037	5.0
119.04848	0.6
119.08600	22.1
120.08860	0.5
121.06470	2.0
121.10155	28.5
123.08121	3.7
123.11732	4.5
125.09592	1.6
128.06178	1.2
129.07031	7.9
131.08583	17.7
133.06476	1.7
133.10139	14.1
135.08037	1.3
135.10747	0.9
135.11708	13.2
136.06210	4.1
137.09644	2.9
137.13203	1.4
142.07739	1.8
143.08557	1.0
145.09071	0.8
145.10144	8.7
147.08028	1.8
147.11696	14.2
149.09639	4.9
149.13258	6.8
151.11174	2.2
157.10152	11.0
159.11705	5.9
161.09659	0.7
161.13280	1.6
163.11174	1.7
163.14819	0.7
165.09088	1.8
165.12740	2.1
166.75923	0.6
173.13263	3.9
175.09767	0.9
175.11185	9.9
175.14857	0.8
177.12712	0.8
184.07353	2.3
187.14801	1.1
189.16354	0.9
193.12259	30.3
205.19568	1.3
211.13313	43.8
215.17979	12.7
227.12718	0.9
229.14378	0.7
233.19034	11.3
239.12822	2.9
267.15933	12.2
269.17441	0.8
273.21951	0.9
275.20142	0.7
285.16992	54.7
286.17300	0.8
289.21564	1.3
307.22696	82.7
308.23035	2.0
335.25916	2.2
378.99399	0.6
389.28220	0.7
407.29459	2.5
425.30688	1.5
443.31671	1.6
486.68210	0.8
499.34259	13.6
517.35315	100.0
518.35535	3.2
572.19464	0.6
720.94781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.2
53.04093	0.7
55.01767	3.6
55.02055	1.1
55.05405	5.5
55.05708	2.0
57.03328	6.5
57.03645	2.5
60.58942	0.6
67.05384	11.5
67.05783	2.7
69.03336	1.4
69.03658	0.7
69.06942	7.6
69.07364	1.8
69.85936	1.3
69.86340	2.6
70.06506	1.6
71.04871	2.4
73.06465	0.7
76.96478	0.7
79.05367	13.9
79.05884	2.1
81.03287	43.9
81.06918	10.1
81.07446	1.7
83.04839	2.3
83.08484	5.7
85.02811	1.1
86.09604	1.0
91.05344	16.0
91.05952	2.0
93.06902	17.0
93.07549	2.1
95.04826	13.4
95.05485	1.4
95.08463	7.6
95.09111	0.8
97.02782	1.4
97.06393	7.8
97.10023	5.3
97.10704	1.2
103.05368	0.7
105.06876	6.1
107.04803	20.5
107.05614	1.9
107.08449	6.8
109.06369	11.1
109.07169	1.0
109.10011	3.4
111.04308	1.0
111.07923	3.7
117.06875	4.4
119.04859	0.7
119.08427	15.2
121.06502	11.4
121.09993	6.2
123.04301	2.2
123.07922	3.0
125.05837	2.5
125.09615	4.8
129.06833	5.0
131.04855	1.6
131.08548	7.0
133.06357	2.1
133.10110	3.6
135.08061	5.6
135.11531	2.3
137.05844	0.8
137.09631	9.5
139.07437	1.3
139.11093	1.0
141.06804	1.7
142.07712	0.7
143.07027	4.8
143.08411	2.3
145.06496	3.4
145.10126	5.2
147.04219	2.4
147.08051	8.8
147.11520	2.8
149.05827	0.9
149.09624	3.5
151.07413	0.8
151.23776	0.8
153.08975	1.3
155.08397	1.5
157.06386	1.3
157.08446	0.8
157.09984	4.1
159.07913	1.2
159.11526	2.2
161.05858	1.0
161.08167	0.7
161.09480	3.1
163.07416	1.1
163.11185	10.6
165.09100	7.8
167.08440	0.9
167.10590	1.1
169.06372	0.8
169.09930	2.3
171.07909	1.6
171.10158	0.8
171.11552	2.2
173.09491	2.2
173.13103	1.7
175.07393	1.2
175.11014	2.6
177.08974	1.6
177.12613	1.0
179.08394	0.9
181.10092	0.7
183.11526	1.2
185.09410	2.1
185.13147	1.2
187.11084	2.5
189.09001	2.1
189.11015	2.0
191.10670	20.9
191.14169	2.1
193.12253	8.4
195.07909	1.2
195.11635	0.7
197.09471	2.2
199.09410	1.0
199.11063	2.0
203.10568	1.7
203.14310	0.8
205.12091	1.7
209.09613	0.9
211.11066	1.1
213.12752	1.2
219.13799	5.6
221.11574	1.3
223.13284	1.5
225.12595	0.9
227.10811	3.6
227.12538	1.3
231.10127	1.2
231.12047	3.7
233.15257	0.8
239.10548	1.2
239.12759	17.4
241.12186	0.9
249.14886	1.5
255.13635	1.0
259.12985	1.3
259.15320	3.3
261.14810	0.9
265.14377	3.4
267.15918	16.4
273.14697	2.0
293.17487	2.2
303.17429	1.0
311.20187	3.8
321.18552	5.0
329.21207	5.9
339.19543	15.5
357.20599	14.5
375.21735	4.4
404.24475	1.6
405.22696	2.3
413.23224	7.5
423.23557	4.9
431.24304	100.0
432.24768	1.4
433.26007	0.8
449.25360	90.5
450.25778	2.0
463.26996	11.6
467.26462	10.9
473.25482	2.2
481.27905	4.7
539.26868	1.4
714.32581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
51.12352	0.4
53.03917	1.8
53.04142	0.4
55.01883	2.4
55.05515	12.5
57.03439	8.7
57.07046	1.8
61.02888	1.3
65.03934	1.9
67.05508	34.1
69.03405	1.2
69.07070	8.6
70.49693	0.4
71.05001	2.9
71.38464	0.5
73.02896	1.2
77.03870	0.9
79.05496	39.7
81.03416	2.1
81.07059	34.2
83.04971	3.2
83.08624	7.8
85.02872	1.3
85.06556	2.0
86.09731	0.4
91.05488	16.1
93.07049	47.9
95.04983	5.5
95.08612	38.4
97.02903	2.9
97.06527	3.8
97.10136	1.6
99.04452	2.0
99.08063	1.6
102.77866	0.4
103.05429	0.5
105.04501	0.9
105.07040	11.8
107.04965	6.1
107.08599	24.3
109.06547	2.4
109.09487	0.6
109.10166	8.9
111.04427	0.7
111.08061	1.1
111.40067	0.4
113.06015	0.5
113.09626	0.7
117.07021	9.1
119.06027	0.6
119.08589	11.0
121.06503	3.9
121.10150	20.5
123.08013	1.3
123.11738	2.6
125.05956	1.6
125.09599	1.1
127.03910	0.4
127.07471	0.4
129.06978	0.5
130.07698	1.2
131.08574	4.8
133.10139	6.4
135.08061	2.4
135.11697	38.2
137.13246	0.4
138.07059	0.4
139.07518	1.0
143.08553	0.9
145.10130	20.1
146.10460	0.5
147.11688	2.7
149.09612	1.0
149.13287	3.4
151.11156	0.5
153.12730	0.6
157.10147	0.5
159.11679	2.5
161.13257	0.7
163.11189	39.0
173.09605	0.9
173.13251	2.3
177.12650	0.6
181.12242	6.6
184.07344	0.7
187.14801	0.6
209.11734	1.2
215.17957	6.8
227.12791	42.7
228.13174	0.8
233.19043	8.2
275.20297	0.4
283.15411	52.8
284.15750	0.7
289.21695	0.8
291.19714	0.5
293.21207	0.5
294.26474	0.4
307.22681	100.0
308.23056	2.5
425.97266	0.4
480.33792	0.4
515.33728	74.0
516.34271	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	712.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03940	1.8
55.01877	3.7
55.05512	9.0
57.03439	6.5
57.07080	1.0
60.08152	1.4
61.02914	1.1
62.50213	0.6
64.46628	0.5
65.03937	1.7
66.25809	0.5
67.05510	32.1
69.03421	1.6
69.07076	6.4
69.40977	4.2
71.04977	2.3
71.07374	0.9
77.76873	0.5
79.05501	35.0
81.03413	1.9
81.07065	27.3
83.01335	0.7
83.04977	2.4
83.08625	2.9
85.02925	2.5
85.06538	1.5
86.09708	6.9
87.46346	0.5
91.03875	0.6
91.04906	0.9
91.05486	17.6
93.03410	0.5
93.07053	28.8
95.04989	2.6
95.08610	20.1
97.02904	5.9
97.06531	3.3
97.10139	1.8
98.98475	0.7
99.00833	1.1
99.04463	8.8
99.08088	1.1
103.05463	1.1
105.07039	7.9
107.04964	10.2
107.08601	42.1
109.02920	0.8
109.06527	1.4
109.10158	8.7
111.04463	3.4
111.08073	1.7
115.05451	2.5
117.07032	25.1
119.04885	0.9
119.06084	0.7
119.08598	7.4
121.06518	8.2
121.10158	8.9
123.08103	0.7
123.11706	3.3
124.99996	4.5
125.09632	3.1
130.60855	0.6
131.08585	4.4
133.06532	1.4
133.10112	4.6
135.08067	48.2
135.11691	5.8
136.08290	0.5
137.09628	1.5
143.08562	0.7
145.06485	4.9
145.10136	3.1
147.11697	3.6
149.09598	0.9
149.13242	4.4
151.11267	0.9
153.09122	7.7
157.02832	0.6
159.11700	2.4
161.13266	1.9
163.07553	45.1
163.14815	2.2
173.13272	2.3
175.14806	0.8
177.16386	0.7
179.14365	0.6
181.08597	10.5
184.07352	19.0
187.14798	1.8
199.09668	67.3
231.17236	0.6
233.22672	0.8
243.21121	5.4
252.23505	0.6
255.12297	100.0
256.12656	1.2
261.22174	16.3
293.21359	0.6
317.24832	2.9
335.25821	62.2
336.26303	1.8
441.30261	1.0
515.33746	57.0
516.33978	1.6
533.34668	1.6
712.50641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.9
53.03942	4.8
55.01876	8.4
55.05515	21.7
57.03193	1.3
57.03443	14.7
57.07072	3.2
59.05000	2.5
61.02932	6.8
64.02390	0.8
65.03941	2.5
67.05508	47.6
68.99348	0.8
69.03430	2.4
69.07067	10.7
69.20352	0.7
70.35275	0.7
70.56439	1.8
71.01349	1.7
71.04996	5.5
71.08637	1.2
72.08146	1.5
73.02930	2.2
73.06598	0.8
73.70360	0.8
73.91294	0.7
77.03902	0.8
79.05499	55.7
81.03423	13.1
81.07059	51.9
83.01342	7.0
83.04988	10.8
83.08623	14.8
85.02905	8.0
85.06555	3.8
87.08085	0.7
91.03955	2.4
91.04917	1.5
91.05486	28.9
93.07048	60.9
95.04969	9.8
95.08616	29.3
97.02899	5.5
97.06532	7.6
97.10182	5.3
99.03642	0.7
99.04451	2.0
99.08109	2.4
103.05475	0.8
105.04539	1.8
105.07032	20.4
107.04955	9.0
107.08601	28.5
109.06528	7.5
109.10164	13.3
111.04463	3.3
111.08083	3.2
113.06059	0.8
113.09643	1.1
117.07024	10.5
119.08584	19.2
121.06520	3.4
121.10153	30.3
123.08070	8.4
123.11711	5.5
125.06030	1.6
125.09624	5.6
129.05484	0.9
129.07007	3.4
130.07774	2.4
131.08569	13.7
133.10126	14.7
135.08070	3.9
135.11700	27.4
137.09645	2.7
137.13257	1.6
139.07564	0.8
139.11191	0.9
143.08627	1.5
145.10132	22.1
147.08014	2.4
147.11702	6.7
149.09602	2.1
149.13275	8.9
151.11194	2.2
153.12737	2.7
155.08585	1.8
157.10153	2.3
159.11707	7.2
161.13295	2.6
163.11186	21.1
164.31032	0.9
169.10182	1.2
171.10257	0.7
171.11707	1.8
173.09665	4.1
173.13272	6.6
175.11270	1.0
175.14857	1.1
177.12846	0.9
181.12271	3.2
184.07385	2.6
185.13304	1.3
187.14813	2.0
189.11243	2.7
191.10701	2.1
205.19537	2.2
209.11769	6.0
213.16469	1.7
215.17967	20.8
219.14130	0.9
220.35568	0.8
227.12775	10.9
230.00868	0.9
231.17403	1.9
233.19020	19.6
271.20630	3.8
273.18588	1.6
276.84827	0.9
283.15405	100.0
284.15930	1.1
289.21603	3.2
291.19565	2.0
293.21097	1.7
305.20984	1.4
307.22684	90.3
308.22925	1.3
405.27692	1.5
423.28854	3.9
441.29944	1.8
459.31006	1.0
497.32690	3.6
515.33728	69.4
516.33801	2.5
533.34863	2.7
568.59259	0.8
641.43848	1.0
651.80469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44909	0.2
55.05504	0.2
61.02925	0.2
67.05508	1.3
68.05038	0.6
69.07058	0.2
70.06594	100.0
71.04978	0.2
71.06931	0.6
71.52341	0.3
73.48037	0.2
77.34253	0.2
79.05489	0.7
81.03423	1.1
81.07066	0.6
82.06575	0.3
83.08617	0.3
84.08148	3.6
85.02923	0.4
86.09718	0.3
91.05477	1.5
93.07043	1.0
94.06593	0.6
95.04958	0.4
95.08618	0.5
96.08166	0.2
97.02888	0.2
97.06557	0.3
98.06062	0.3
103.05498	0.7
105.07046	0.9
107.04977	0.3
107.08644	0.3
107.94118	0.1
109.06551	0.3
109.10176	0.5
115.08693	0.5
117.07063	0.4
119.04970	0.2
119.08614	0.4
120.08107	8.2
121.06556	0.3
122.09733	0.2
126.05531	0.2
128.06203	0.2
129.07063	0.2
130.06563	0.5
130.08681	0.2
131.08565	0.3
132.08092	0.2
133.10168	0.3
135.08063	0.3
135.11763	0.3
136.07579	0.2
136.11221	0.5
137.07162	0.3
143.08600	0.2
145.10112	0.3
147.08008	0.3
148.07620	0.7
152.08217	0.3
161.09621	0.2
165.05469	0.2
176.07092	0.2
182.08197	0.2
184.07431	0.4
184.11259	0.4
185.09680	0.3
186.12779	3.3
189.09163	0.7
193.12317	0.2
202.12360	0.7
210.50829	0.2
217.13370	0.4
219.15015	0.4
231.10255	0.8
245.12811	1.0
248.12825	1.7
248.34656	0.2
265.15491	1.6
267.16019	0.2
273.12338	8.9
290.15198	0.3
317.18417	0.2
321.14621	0.3
321.19745	0.6
322.17990	0.2
323.21237	0.2
362.20749	1.7
367.20154	2.1
390.20392	0.8
395.19641	9.7
396.20081	0.3
419.24472	0.2
421.25717	0.2
433.26047	0.7
440.22037	0.9
447.27295	1.0
463.92239	0.2
464.25430	0.3
468.21335	2.8
492.25345	0.6
509.27655	2.7
519.26361	0.5
537.27124	15.9
538.27588	0.5
565.26556	5.5
565.34967	0.3
666.32977	0.3
667.31744	0.4
684.33911	4.5
694.31134	0.2
712.34070	2.7
713.33313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01873	9.9
55.05316	1.3
55.05515	14.6
57.03439	17.6
57.07061	1.8
60.47908	1.2
61.02921	8.9
65.03916	2.6
67.05508	51.8
69.03418	3.8
69.07072	16.0
71.08628	3.5
72.08144	4.8
72.85262	1.5
73.02920	3.7
79.05499	59.5
81.03417	11.3
81.07060	49.6
83.01340	7.7
83.04981	3.8
83.08622	7.4
84.04506	1.7
85.02912	7.3
86.09705	6.1
91.03951	2.9
91.05487	79.4
93.07046	52.0
95.04961	6.1
95.08614	39.3
97.02887	4.1
97.06519	5.2
97.10170	3.7
98.20747	5.1
98.98418	1.5
99.08105	2.2
105.04518	2.9
105.07043	18.7
107.04951	6.8
107.08601	47.5
109.06506	4.9
109.10160	17.6
111.04424	2.7
111.08076	2.0
115.05468	6.7
117.07029	55.5
119.08587	16.6
121.06452	2.4
121.10143	18.7
123.08037	1.9
123.11687	7.2
124.99977	4.2
125.09628	3.7
127.03947	1.8
129.07011	2.5
131.08575	12.1
133.10112	8.8
135.08066	56.6
135.11702	10.1
137.09616	1.7
137.13293	2.2
143.07051	2.4
145.06494	2.1
145.10127	7.5
147.11684	6.3
149.09647	2.1
149.13257	7.3
153.09094	3.8
157.10123	1.7
159.11723	8.6
161.13264	4.0
162.82268	1.8
163.07541	13.8
163.11209	1.7
163.14801	4.6
165.09065	2.4
165.12718	2.2
171.11644	2.4
173.13252	6.4
175.14850	2.7
176.76454	1.7
177.16382	2.6
181.08612	5.3
184.07381	16.2
187.14813	3.5
199.09680	5.7
199.14825	1.4
205.12268	1.7
231.90526	1.5
239.12730	1.7
241.19597	2.2
243.21049	6.6
245.52679	1.4
255.12283	100.0
256.12750	1.7
259.20554	2.2
261.22180	19.6
273.18964	1.5
277.21741	3.1
291.19638	1.6
293.21124	3.0
299.23679	1.7
307.22998	1.4
317.24615	3.6
333.24210	2.7
335.25812	84.7
367.25098	1.7
405.27960	2.3
423.28918	2.7
441.29623	1.8
487.34448	2.1
497.32440	5.5
515.33759	45.8
516.33911	2.0
533.35071	3.0
712.44025	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	710.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.05517	36.1
57.03435	14.9
57.07070	5.9
67.05511	80.8
69.07079	37.9
71.04982	5.7
71.08617	14.8
71.52926	5.3
72.74712	5.2
79.05495	58.7
81.03427	16.5
81.07062	94.2
83.04964	11.0
83.08620	26.8
91.05495	51.7
93.07046	75.2
95.04966	12.1
95.08604	47.2
97.06522	12.6
97.10178	12.5
99.08077	7.3
103.85112	5.1
105.07032	41.1
107.04916	6.4
107.08588	36.8
109.10178	23.5
109.59581	5.3
111.08082	9.8
117.07061	15.8
119.08571	28.8
121.10136	32.2
123.08080	10.1
123.11697	8.5
125.09592	7.7
129.07039	6.6
131.08592	27.3
133.10114	19.8
135.11700	18.0
135.66289	5.3
137.09631	8.2
143.08597	12.3
145.10110	24.2
147.11694	21.0
149.09627	6.0
149.13261	20.3
151.11188	6.3
152.36284	6.0
157.10103	9.8
159.11687	16.1
161.13251	17.1
163.11136	7.2
165.12759	6.5
171.11687	10.1
173.11725	5.8
173.13206	8.0
177.12831	5.8
179.14264	7.8
193.12209	6.6
243.21040	9.2
252.06424	7.7
259.20746	6.4
261.22095	12.7
267.15997	10.2
269.17520	15.4
275.20215	9.1
277.21619	17.6
335.25757	36.0
351.25238	14.9
400.66257	6.0
503.37149	11.0
515.36969	20.9
517.39258	12.4
521.38226	32.9
527.37384	10.1
529.38879	100.0
537.42889	10.1
545.37830	7.4
557.80237	7.6
561.37762	8.1
611.46875	35.3
629.47852	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12647	0.2
51.60002	0.2
53.03923	0.7
55.01852	0.5
56.01953	0.2
57.03440	2.8
61.02917	0.2
65.03942	1.2
67.05482	0.6
69.03433	7.1
69.91895	0.7
70.06573	0.2
71.04977	0.2
72.08109	0.2
73.02900	0.3
78.04279	0.2
78.04707	2.3
79.05468	0.8
81.03426	1.1
81.07039	0.2
82.04194	0.4
83.04964	0.3
85.02908	5.5
86.09669	0.2
87.04473	2.9
91.03958	0.2
91.05479	0.8
93.03358	0.3
93.07041	0.2
95.04991	0.9
96.05742	0.3
97.02894	5.5
97.03516	0.3
97.06530	0.6
98.21537	0.2
99.04435	0.4
101.02364	0.4
102.04669	0.2
103.05470	0.9
105.07019	0.2
106.04181	1.2
107.04990	1.3
109.02875	0.2
110.03654	0.8
111.04411	0.3
115.03938	1.6
115.05450	3.2
116.06201	0.2
117.07026	5.1
121.06563	0.2
122.03645	0.4
123.04430	5.0
124.05209	1.8
125.05991	0.4
127.03906	0.7
127.05450	0.8
128.06183	0.2
129.07013	0.3
131.04909	0.3
132.05693	0.2
133.04964	0.8
133.06479	0.3
135.04341	0.2
137.05942	0.4
142.02640	0.6
143.04918	0.4
144.05647	0.2
145.06487	8.1
145.36070	0.2
147.08064	0.5
151.03925	0.9
152.04688	1.4
153.05461	0.6
155.04861	0.4
155.06041	3.9
161.05887	0.4
162.14452	0.2
165.05444	0.4
166.02649	0.2
167.07043	100.0
168.07353	0.9
171.06532	0.6
173.05989	20.5
175.07588	0.4
179.40483	0.2
181.04967	23.3
182.05147	0.2
189.05505	0.3
190.06345	0.2
201.05501	0.7
205.08603	4.4
207.10252	0.4
219.10110	0.2
221.08104	0.4
233.08098	6.3
233.10451	0.4
235.09673	4.3
235.11880	0.3
251.09297	0.2
262.19778	0.2
263.09204	0.5
279.06558	0.2
286.69354	0.2
355.11795	0.2
387.14401	15.6
388.14548	0.3
399.14371	0.4
417.15457	11.4
418.15662	0.3
513.17432	0.3
531.18793	0.2
569.68054	0.2
579.20642	0.5
671.72382	0.2
695.12146	0.2
711.24969	52.8
712.25232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01870	1.6
55.05514	13.0
56.12780	0.4
57.03192	0.7
57.07076	1.0
61.02921	0.9
65.03931	2.3
67.05508	39.8
69.03421	1.4
69.07072	8.9
69.47414	2.9
71.05004	2.4
71.08640	0.5
73.06557	0.6
77.03896	0.6
79.05497	53.3
81.03416	4.0
81.07061	34.4
81.07450	0.6
83.04987	6.8
83.08625	5.5
85.02910	1.0
85.06545	1.6
91.05486	31.7
93.07049	49.4
95.04973	9.3
95.08612	23.1
97.02893	1.3
97.06537	3.5
97.10143	2.5
98.98454	0.8
99.08111	1.7
101.67095	0.4
103.05519	0.8
105.04534	1.7
105.07038	22.4
107.04939	2.9
107.08604	14.3
109.06542	2.7
109.10158	7.6
111.08096	1.9
115.05466	0.9
117.07024	5.5
119.08591	15.0
121.06509	1.2
121.10146	15.7
123.08080	2.0
123.11721	1.4
125.09641	1.0
128.06264	1.4
129.05525	0.7
129.07014	7.4
131.08594	4.6
133.06491	0.5
133.10132	8.2
135.08087	0.9
135.11705	6.4
137.09647	1.0
143.08562	3.5
145.10135	7.7
147.08067	1.0
147.11700	13.7
147.12816	0.9
149.09694	0.9
149.13281	2.8
151.11220	0.7
159.11719	3.0
161.09650	1.2
161.13258	5.2
163.11223	1.1
167.80145	0.5
169.10159	0.5
171.11717	9.2
173.11884	0.5
173.13300	1.5
177.53104	0.5
184.07364	1.2
189.12727	3.0
193.12398	0.4
205.19533	0.8
207.13821	8.9
209.11676	0.5
213.16304	0.7
215.17993	5.1
233.19029	4.9
279.15994	0.9
281.17477	24.8
307.22684	45.9
308.23010	0.8
421.31360	0.6
465.96899	0.6
495.34482	0.7
513.35797	100.0
514.36298	3.2
531.36603	0.8
538.38129	1.5
549.26300	0.6
641.88702	0.5
647.92285	0.5
648.05255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32778	2.2
52.88780	2.0
53.03941	6.0
53.08595	2.3
55.01872	3.4
55.05517	16.0
57.03440	13.6
57.07079	2.9
65.03944	4.3
67.05510	62.4
68.05846	2.3
69.03446	2.8
69.07075	14.0
70.13940	2.0
71.05000	3.0
71.08642	3.8
71.52759	2.2
79.05500	39.8
81.03426	14.7
81.07062	50.3
83.04987	15.1
83.08630	10.2
85.06561	4.6
91.04914	4.8
91.05489	100.0
93.07054	39.6
95.04979	8.9
95.08610	32.7
97.02885	5.9
97.06532	4.4
97.10165	3.0
105.06401	3.4
105.07044	44.5
105.78365	2.2
107.04955	13.4
107.08589	20.5
109.06530	3.1
109.10159	13.1
111.08118	2.2
117.07002	12.9
119.08566	22.4
121.10148	14.7
123.11703	7.3
128.06244	2.0
131.08556	11.7
133.10141	41.6
135.07986	4.0
135.11713	8.5
143.08601	7.2
145.10130	7.9
147.11719	3.7
149.09644	9.1
149.13260	4.3
151.11142	3.1
151.47198	2.0
157.10164	2.8
159.11740	4.6
161.09647	16.5
161.13283	3.7
171.11697	3.4
173.13316	3.5
179.10614	10.5
184.07465	2.8
187.14819	3.0
193.12239	2.7
243.21161	3.6
251.12819	3.6
253.14372	88.5
261.22220	12.7
275.19977	2.5
335.25873	39.1
421.31125	3.5
466.35855	2.5
505.39365	3.7
513.35815	75.3
531.36975	4.6
543.37573	3.2
599.02386	2.1
612.46844	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	709.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01870	9.0
55.05519	31.0
57.03434	12.8
59.04996	3.1
61.02937	24.5
65.03932	5.3
67.05180	4.5
67.05509	54.2
69.03447	14.2
69.07073	37.1
71.05005	14.5
71.52113	3.8
73.02923	11.0
79.05502	61.4
81.03418	29.0
81.07061	63.0
83.04979	7.5
83.08620	12.6
85.02914	20.7
85.06533	3.8
91.03968	10.8
91.05490	53.6
91.06038	5.2
93.07050	55.9
95.04980	11.6
95.08613	55.0
97.02874	19.4
97.06540	15.5
97.10157	7.1
99.08141	6.2
101.02403	2.8
105.07035	41.4
107.04954	7.9
107.08601	29.1
109.02863	5.4
109.06517	8.4
109.10162	22.0
111.04449	4.2
111.08088	8.7
115.05420	3.6
117.07040	25.6
119.08590	39.3
121.06489	8.9
121.10150	16.5
123.08093	9.2
125.06019	5.6
125.09635	6.6
127.03899	6.2
128.06264	6.4
129.07018	16.3
131.08566	32.8
133.06505	5.2
133.10159	25.3
135.08066	11.3
135.11702	9.5
137.09630	11.4
139.07477	3.0
141.07008	7.5
142.07819	3.1
143.07053	9.5
143.08554	20.0
143.09521	2.9
145.06471	3.4
145.10130	25.3
147.08066	9.0
147.11702	11.6
149.09660	9.9
149.13239	5.3
151.11235	5.3
153.09221	2.8
154.07849	2.6
155.08588	12.4
155.10686	2.5
157.10135	24.5
159.08058	4.1
159.11691	21.2
161.09616	9.1
161.13261	4.5
163.03958	3.0
163.07661	2.5
163.11168	6.4
165.07082	3.3
165.09094	5.3
167.08624	5.8
169.10123	13.7
171.11716	17.5
173.09599	7.5
173.13254	14.0
175.11244	6.5
175.14818	2.6
181.10136	8.3
183.11697	18.4
185.13281	11.8
187.11269	3.2
187.14775	5.6
189.11169	3.2
189.12766	2.9
193.10213	4.8
195.11716	11.8
197.13287	10.5
199.09662	8.3
199.11292	3.7
199.14867	7.3
207.11687	3.6
207.13641	2.7
209.13338	7.8
211.14879	7.8
213.12753	3.0
221.13219	4.0
223.14876	4.7
225.12842	4.1
235.14922	3.2
239.12753	3.5
241.14256	3.0
245.15443	4.1
273.18616	3.8
275.20062	8.4
283.20621	3.5
285.22034	5.7
291.19601	8.0
297.18787	3.1
297.22031	3.7
325.21536	3.6
333.24127	3.2
349.23660	4.3
365.23056	5.1
387.26834	5.9
393.22678	3.3
399.25269	3.8
401.16757	2.8
401.22882	3.0
405.27872	18.3
415.24814	3.3
423.29071	12.0
441.29816	5.9
479.31754	9.3
489.32166	25.8
497.32614	62.1
515.33765	100.0
529.35840	18.3
547.36627	38.3
631.45319	3.1
651.37543	5.8
659.37518	7.3
677.39117	5.0
691.38776	3.2
709.30286	7.0
709.40515	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	709.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
55.01860	11.2
55.05512	34.3
55.11943	3.1
57.03429	13.1
57.03680	3.0
57.07063	5.2
59.05001	4.2
59.94093	3.3
61.02933	24.1
61.20229	3.1
65.03928	5.6
67.05181	6.4
67.05508	70.3
69.03420	14.6
69.07062	23.1
71.04988	14.3
71.52464	3.9
73.02910	14.8
79.05495	60.5
81.03425	41.4
81.07056	67.2
83.04965	10.2
83.08624	23.4
85.02912	24.8
85.06533	6.8
90.55509	3.6
91.03943	15.4
91.05487	46.8
93.07050	49.8
95.04962	16.0
95.08609	45.0
97.02892	26.3
97.06525	12.9
97.10180	21.7
99.08119	5.0
105.07043	55.8
105.83426	4.3
106.96509	3.8
107.04950	9.8
107.08605	31.9
109.06513	10.7
109.10147	22.8
113.05956	4.0
115.05441	6.2
117.07017	35.5
119.08591	43.2
121.06515	8.0
121.10158	26.8
123.08067	15.6
125.09650	19.3
127.03891	9.8
127.32012	3.8
128.06210	4.0
129.07002	29.8
131.08575	42.4
133.06500	3.6
133.10109	27.4
135.08022	12.0
135.11688	9.7
137.09622	12.9
141.06990	11.0
142.07841	8.8
143.08569	21.8
145.06483	6.3
145.10139	38.8
147.08060	10.1
147.11688	13.5
149.09631	12.8
151.07494	3.4
151.11162	3.6
153.87410	3.4
155.08551	14.8
157.06674	3.9
157.10150	32.1
159.08044	10.1
159.11707	27.9
161.09604	6.2
163.03929	4.2
163.11209	9.1
165.09180	4.5
167.08522	8.5
169.10162	14.0
171.07936	3.3
171.11641	23.1
173.09634	13.3
173.11885	3.8
173.13281	9.2
175.11203	9.5
181.10130	11.9
183.10258	4.0
183.11726	19.8
185.13326	8.5
187.11218	6.7
187.14764	5.8
189.11208	6.1
189.12741	4.7
193.10281	4.6
195.10075	3.8
195.11710	14.4
197.13277	13.4
197.14844	3.5
199.11201	6.6
199.13156	4.9
199.14827	4.9
207.11678	5.3
209.13361	6.7
211.13104	5.4
211.14851	4.9
213.16331	4.2
221.13298	7.6
223.14986	4.2
227.12790	14.5
235.14905	5.3
236.84785	3.8
237.16446	5.1
239.17966	5.0
243.17311	3.8
255.17352	6.7
257.19083	4.8
271.20602	8.4
273.18524	10.8
275.20297	4.3
291.19589	10.5
293.18988	5.2
312.13242	4.0
329.75369	3.6
347.22202	5.3
381.61200	3.9
387.26752	7.5
401.15866	3.9
405.27887	23.1
423.28931	12.9
429.27011	4.8
441.30045	5.8
479.31546	12.0
489.32187	21.0
497.32666	85.0
498.32709	6.0
511.33603	5.2
515.33710	100.0
529.36121	26.3
547.36682	44.3
651.37286	4.8
659.37671	7.5
677.38519	4.6
691.36420	5.7
706.20099	4.0
709.38574	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	708.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.05513	14.4
57.03446	4.9
57.07087	3.4
67.05505	45.7
69.07079	14.9
69.81396	7.0
69.81791	8.1
71.05003	3.4
71.08639	27.1
79.05494	33.4
81.03412	9.6
81.07060	49.0
83.04977	7.4
83.08615	11.3
91.05483	32.8
93.07046	46.0
95.04980	9.5
95.08619	37.5
97.06533	11.3
97.10163	7.3
98.48662	3.1
99.08106	20.3
105.07035	15.8
107.04971	4.1
107.08607	22.8
109.06512	3.4
109.10172	12.8
111.08109	5.5
113.09593	3.5
117.07081	5.4
119.08612	17.3
121.10139	19.8
123.11717	3.1
129.06987	4.5
131.08539	8.4
132.11490	2.9
133.10162	15.9
135.11700	24.5
145.10153	8.1
147.11626	4.2
149.13266	10.2
151.11168	14.6
159.11734	5.0
161.13263	8.4
163.11192	10.5
171.11758	3.8
179.14319	63.2
189.12776	3.7
195.13754	2.9
197.62143	3.0
227.12830	4.1
259.20374	3.5
267.15945	4.2
269.17438	14.5
277.21664	61.9
291.19632	3.1
293.21118	10.5
295.22626	3.4
313.27139	3.8
319.62537	3.4
335.25729	6.9
351.01669	3.0
351.25354	59.0
351.29498	4.3
367.24902	3.5
369.26102	3.3
515.13629	3.1
519.36761	16.0
527.37286	3.5
545.30603	5.5
545.38434	100.0
545.46729	5.5
546.38849	4.5
627.46234	42.9
708.44110	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	707.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03947	9.4
55.01881	7.5
55.05276	1.6
55.05517	21.1
57.03442	7.7
57.07078	4.1
59.04144	1.4
63.73212	1.4
65.03931	1.9
67.05508	61.6
69.03430	4.6
69.07072	20.9
69.72028	3.2
69.72424	6.7
71.04993	4.7
72.87677	1.5
77.03909	1.6
79.05499	60.8
81.03425	53.5
81.07061	67.0
83.04958	7.9
83.08624	13.1
85.02912	2.4
85.06528	3.7
89.03968	1.4
91.05482	50.3
93.07046	63.0
95.04968	18.1
95.08611	45.7
97.02921	3.6
97.06548	4.9
97.10172	7.2
103.05458	3.4
105.04530	2.9
105.07034	37.6
105.07693	2.8
106.07397	1.4
107.04960	6.1
107.08600	37.2
107.51496	1.7
109.02853	1.9
109.06529	5.7
109.10166	19.0
111.04448	2.5
111.08064	5.0
115.05503	4.4
117.07026	11.9
119.08588	30.0
119.09390	2.7
121.06516	5.9
121.10145	30.0
121.10949	2.9
123.04436	9.1
123.08112	4.0
123.11729	8.1
125.09656	3.5
128.06271	2.8
129.07011	11.1
131.04976	2.3
131.08577	20.0
133.02925	2.7
133.06548	3.7
133.10139	22.2
135.04442	5.7
135.08104	3.5
135.11694	13.9
137.05934	1.8
137.09641	3.5
141.07001	3.2
143.08624	5.5
145.02837	2.6
145.06528	4.0
145.10136	12.6
147.04433	5.1
147.08067	5.0
147.11699	19.7
149.06018	4.3
149.09631	10.7
149.13304	6.8
151.11298	2.2
153.07030	2.4
155.08572	3.5
157.06580	4.8
157.10178	9.0
159.04453	8.4
159.08040	2.3
159.11673	8.3
161.02359	5.8
161.05994	6.9
161.13289	5.5
163.03896	26.0
163.05058	2.1
163.07556	2.3
163.11235	1.7
163.14764	2.1
165.05582	3.2
165.12808	5.1
167.08624	1.8
169.06566	2.0
171.08046	2.8
171.11784	3.9
173.02336	13.9
173.05948	12.9
173.09615	2.6
173.13327	5.0
175.03958	4.6
175.07614	3.7
175.11215	6.7
175.14833	2.4
181.06528	3.9
183.04337	1.5
183.08145	5.4
183.11745	2.1
183.95389	1.6
185.06009	5.1
185.09630	2.4
185.13304	1.9
187.03957	17.9
187.07594	4.1
189.05531	6.4
191.03406	1.6
193.12227	10.8
195.08069	3.8
195.11722	2.0
197.05984	3.5
197.09627	3.8
199.03944	9.4
199.07646	5.4
199.14793	1.7
201.05467	8.5
202.05791	1.6
203.03383	2.1
209.09637	3.6
211.07683	4.7
211.11316	3.5
211.13367	6.0
212.08189	1.8
213.05510	17.1
213.09152	2.8
215.07088	3.9
215.10709	1.8
217.04999	2.8
223.07727	3.1
225.09177	3.7
227.07127	5.0
227.12819	1.7
229.05057	1.9
229.12402	2.3
231.11719	1.6
233.09752	1.7
235.11125	2.5
235.13257	1.9
237.09166	1.8
239.07112	1.8
241.12250	2.7
243.13779	1.8
243.21123	3.0
249.09113	2.4
251.10750	2.6
253.12393	2.2
259.20676	6.5
261.22202	11.5
265.12149	3.5
267.13870	15.1
267.15839	3.0
277.21750	5.1
278.34937	1.8
283.13364	4.8
285.14923	2.8
291.19824	1.7
293.11850	2.7
311.12793	9.3
311.16428	4.7
313.14557	3.5
317.24835	2.1
327.15961	3.2
329.13940	3.7
333.17075	3.4
333.24417	2.1
335.25879	23.8
337.14404	4.5
355.15399	33.1
357.17102	10.8
361.24033	2.5
373.16827	2.6
423.25854	1.8
429.19116	47.4
431.20871	4.6
447.20291	2.4
527.37366	3.5
545.38531	5.5
569.37616	3.1
587.37531	4.7
597.35638	4.0
605.38806	2.1
615.36993	12.1
623.39404	4.0
633.37744	17.8
635.39600	2.6
651.38904	4.4
661.40753	4.9
665.40735	2.1
671.39832	4.4
679.42102	36.9
689.40552	46.6
690.40997	2.4
707.41547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89126	1.5
53.03929	3.0
53.32053	1.4
55.01861	2.2
55.05511	8.6
57.03441	8.4
58.07530	1.5
67.05142	1.8
67.05509	33.2
69.03439	3.7
69.07064	10.0
70.65536	1.5
71.04992	4.1
71.52546	2.0
71.68563	1.3
73.02912	1.5
78.08806	1.7
79.05495	20.0
81.03420	50.7
81.07054	38.1
83.04970	6.2
83.08628	17.6
85.02914	2.6
85.06541	2.9
91.03980	2.3
91.05481	21.0
92.05798	1.6
93.07049	32.5
95.04977	16.7
95.08608	10.9
97.02876	3.3
97.06522	7.2
97.10158	2.6
105.07047	13.8
106.14574	1.4
107.04980	4.7
107.08597	18.8
109.06511	4.9
109.10161	5.8
111.04451	2.9
111.08075	8.1
117.07047	3.7
119.08591	10.7
119.78994	1.5
121.06516	4.0
121.10149	14.9
123.08076	1.9
123.11702	1.9
129.07004	5.8
131.08577	12.5
133.06453	1.9
133.10101	6.9
135.08040	3.4
135.11694	6.1
136.08588	1.4
137.09720	1.6
143.08578	2.1
145.10133	2.8
147.08054	2.9
147.11681	6.9
149.09607	3.7
149.13269	16.7
155.08572	1.7
157.10127	6.4
159.08035	2.1
159.11697	7.5
175.11211	7.1
177.12807	1.7
193.12239	15.8
195.13828	4.3
211.13303	2.3
211.56558	1.7
267.15912	53.3
269.17480	40.8
405.26447	1.8
435.27563	4.1
461.29025	100.0
462.29349	2.5
479.29990	4.4
491.07028	1.8
503.30106	1.9
511.32428	2.6
572.90790	1.7
709.32910	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12572	0.8
53.03946	4.1
55.01886	1.6
55.05516	14.2
57.03435	4.0
57.07077	15.6
58.07404	1.8
65.03947	2.2
67.05509	36.4
69.03418	1.8
69.07069	11.3
70.48820	1.9
70.49181	1.9
71.04991	3.0
79.05499	34.1
81.03421	26.0
81.07059	35.3
81.07536	2.2
83.04991	5.6
83.08636	9.1
85.02916	1.4
85.06542	2.7
86.09711	3.2
87.04474	100.0
88.04801	8.9
89.02391	1.0
89.06041	1.7
91.05486	30.1
93.07050	39.7
94.07372	1.5
95.04970	11.9
95.08610	21.3
95.09187	1.9
97.02885	1.2
97.06509	4.4
97.10161	4.1
99.92940	0.9
103.05493	2.2
105.07033	22.0
107.04967	3.0
107.08592	14.2
109.06535	4.9
109.10155	10.6
111.04410	1.5
111.08081	2.7
112.15403	0.9
115.05526	2.5
117.07033	6.1
119.04928	1.6
119.08590	16.4
121.06512	5.7
121.10161	16.6
123.04442	3.5
123.08073	1.9
123.11691	3.0
125.00013	1.7
128.06258	1.6
129.07004	5.5
131.04970	1.5
131.07053	3.3
131.08580	11.3
133.02884	1.9
133.06517	2.2
133.08627	1.5
133.10138	12.9
135.04442	2.7
135.08057	2.2
135.10870	0.9
135.11732	7.0
137.05925	1.3
137.09619	1.1
141.07031	1.4
143.08575	2.6
145.06549	1.3
145.10152	7.1
147.04456	2.7
147.08066	3.1
147.11699	11.1
149.06020	2.2
149.09616	7.3
149.13255	3.7
150.06841	1.3
150.22119	1.0
151.07283	1.0
151.11258	1.3
155.08563	1.7
157.06514	2.4
157.10139	4.2
159.04443	6.0
159.11734	3.7
161.02356	2.4
161.05988	2.8
161.13301	2.7
163.03923	17.4
163.11209	1.8
163.14977	1.0
165.05534	2.4
165.09111	1.7
165.12762	2.7
167.08604	1.6
169.06514	1.6
169.10146	1.8
171.08069	1.5
173.02332	7.4
173.06026	4.9
173.09767	0.9
173.13295	3.8
175.03867	2.2
175.07626	1.7
175.11234	4.2
177.12691	1.4
179.08589	1.2
181.06445	1.8
181.10091	0.9
183.08102	1.3
184.07390	11.5
184.08858	1.6
185.06041	3.1
185.07593	1.5
185.13226	1.6
187.03914	9.7
187.07533	2.3
189.05553	1.9
193.10506	1.7
193.12263	6.7
195.08046	2.1
197.05991	1.2
199.03894	5.5
199.07585	2.3
199.11276	1.2
201.05510	3.2
203.03453	1.2
205.10172	1.3
209.09685	1.1
211.07562	1.7
211.13283	5.8
213.05453	6.8
213.09099	1.7
215.07123	1.6
219.12317	3.2
221.09659	1.6
223.07520	1.1
223.11194	1.1
225.05444	1.1
227.07158	1.4
231.17484	1.1
233.19028	2.5
234.19377	1.6
243.21103	1.2
259.20547	3.9
261.22226	6.1
261.89423	1.0
265.12234	1.3
267.13623	7.9
267.16080	3.0
277.21674	6.4
278.22092	3.2
283.13330	2.3
285.14828	1.3
293.11612	1.7
311.12805	5.0
311.16522	2.5
313.14444	1.4
317.24640	1.5
327.16068	2.5
335.25739	10.0
337.14352	2.7
355.15399	22.4
355.19275	1.2
357.16989	3.5
375.18463	0.9
429.19119	19.8
431.20737	2.7
493.15945	1.2
527.37408	8.5
545.37964	7.7
587.37408	1.7
597.35205	2.1
615.37128	7.3
623.38867	2.5
633.28455	1.5
633.37439	7.4
651.38489	1.3
661.41412	1.9
671.39117	1.2
679.42297	13.1
689.40619	22.1
690.40991	1.3
707.40356	40.4
708.41797	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	707.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.4
55.01868	4.8
55.05268	2.1
55.05516	27.9
57.03427	10.3
57.07061	6.4
60.08157	2.6
65.03932	2.2
67.05507	74.7
69.03419	5.2
69.07065	18.7
71.05003	5.0
74.39492	1.7
77.03934	2.6
79.05499	68.2
81.02936	2.0
81.03423	56.8
81.07063	72.7
83.05004	9.4
83.08629	15.9
85.02942	1.8
85.06550	4.0
86.09704	9.4
87.04472	19.7
89.03931	2.1
91.04910	2.9
91.05482	57.7
93.07048	74.6
95.04963	22.4
95.08614	48.1
97.02887	2.6
97.06525	6.7
97.10170	6.1
103.05455	2.9
105.04526	2.4
105.07040	47.6
107.04946	8.0
107.08603	33.5
107.59115	1.8
109.06519	5.1
109.10155	20.7
111.04441	2.6
111.08076	5.4
115.05432	3.8
117.07019	12.8
119.08585	32.4
121.06525	6.5
121.09331	2.9
121.10145	31.6
123.04478	8.7
123.08075	5.4
123.11712	4.8
125.00011	6.8
125.09631	3.2
128.06229	2.6
129.07053	11.4
131.04953	4.9
131.08559	23.6
132.54829	1.6
133.06493	3.8
133.10146	26.9
135.04428	7.7
135.08070	2.5
135.11713	15.5
137.05957	2.2
137.09596	3.3
137.13263	2.7
143.04924	2.2
143.08545	5.7
145.02776	3.1
145.10158	13.5
147.04416	6.1
147.08037	5.4
147.11681	20.5
149.05974	4.5
149.09637	13.6
149.13245	9.2
151.11148	3.7
153.70760	1.9
155.05016	1.8
155.08600	4.2
157.06500	6.5
157.10136	8.7
159.04422	10.8
159.08006	2.6
159.11749	9.7
161.02350	6.3
161.06009	6.6
161.09622	2.1
161.13266	7.6
163.03931	31.4
163.11159	4.0
165.05534	4.3
165.06876	2.2
165.12825	6.0
169.06491	3.7
169.10132	2.5
171.04549	2.4
171.08038	3.6
171.11667	4.5
173.02388	15.8
173.05986	12.9
173.13277	6.7
175.03909	3.8
175.07576	3.4
175.11214	7.1
175.14861	4.1
177.05461	2.3
181.06541	4.1
181.10136	2.2
183.08038	4.9
184.07333	21.0
185.05971	4.8
185.07661	4.0
187.03896	15.1
187.07570	5.4
187.11183	2.1
187.14876	2.3
189.05460	6.1
192.33853	2.1
193.12300	13.3
195.08121	4.8
195.11610	2.1
195.13695	2.3
197.05890	2.4
199.03917	9.1
199.07564	6.4
201.05515	7.4
201.09082	2.9
209.09648	4.0
209.13411	1.9
211.07503	5.7
211.13252	10.7
213.05515	17.4
213.08955	3.5
215.07103	4.5
219.08102	2.5
221.09669	2.8
225.09145	2.7
227.07062	3.1
229.15573	2.3
241.19615	2.2
243.13785	2.4
243.21019	2.5
247.11235	2.2
251.10658	2.7
259.20569	7.7
261.22214	10.7
265.12192	3.5
267.13510	12.5
267.16046	8.3
277.21637	5.5
283.13184	4.4
293.11664	4.5
298.73856	1.8
303.23151	2.0
311.12769	12.4
311.16489	6.2
317.24866	3.6
327.16006	2.9
333.24298	2.2
335.25812	26.2
337.14343	8.9
355.15393	39.8
355.19397	3.5
357.16992	10.7
373.16653	2.4
411.17966	2.4
423.25333	2.3
429.19177	48.3
431.20731	4.5
527.37445	9.6
545.38086	7.5
587.37097	4.4
597.35773	6.6
605.38696	2.1
615.37012	15.1
623.38629	3.8
633.37982	16.7
635.39661	2.0
651.38898	2.7
661.40588	2.9
679.42236	34.7
689.40601	50.6
690.40936	2.8
707.41309	100.0
708.41510	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	706.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
56.05030	0.6
57.07064	0.3
58.06316	0.2
58.06628	0.5
59.07372	0.1
60.08164	6.4
67.05508	0.4
69.07050	0.2
70.06581	0.1
70.97334	0.2
71.07376	3.4
79.05463	0.2
81.03399	0.2
81.07058	0.4
83.08633	0.1
85.02892	0.1
86.09706	31.4
87.04461	0.5
87.10027	0.2
91.05481	0.4
93.07043	0.3
95.04965	0.1
95.08624	0.2
97.10183	0.1
98.98461	3.3
104.10743	2.6
105.07029	0.3
107.04973	0.1
107.08611	0.2
119.08607	0.1
121.10175	0.1
125.00005	21.6
130.01923	0.1
133.10085	0.1
143.01039	0.1
143.70860	0.1
166.02661	0.1
175.11122	0.1
184.07339	100.0
185.07719	0.6
193.12245	0.1
326.85388	0.1
422.47186	0.1
496.34076	0.2
706.46606	9.7
707.46405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.07076	0.5
58.06601	0.4
60.08170	6.4
61.08836	0.2
63.37232	0.2
67.05515	0.3
69.24490	1.0
69.24921	0.9
71.07384	2.9
71.08635	0.4
79.05486	0.7
79.09708	0.2
81.03392	0.3
81.07067	0.6
83.04975	0.2
83.08633	0.4
86.09714	29.3
87.04477	1.8
87.10012	0.2
91.05480	0.6
93.07070	0.5
95.08615	0.6
98.20724	0.3
98.98479	3.4
104.10760	2.1
105.07046	0.2
109.10147	0.2
119.08663	0.3
121.10191	0.2
125.00016	19.5
131.08594	0.2
145.10167	0.3
160.19164	0.2
182.49985	0.2
184.07356	100.0
185.07715	0.8
417.47049	0.2
418.17743	0.4
448.22305	0.7
475.21188	0.3
476.21524	1.3
477.22571	0.3
536.23901	0.8
550.25079	0.3
608.25977	1.5
609.26624	6.5
628.33923	0.2
706.46594	12.3
707.46539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10281	0.2
65.56548	0.3
66.83508	0.2
67.05501	1.2
68.80009	0.3
70.06586	1.1
71.52309	0.3
72.08156	0.3
78.27897	0.2
79.05497	0.4
81.03418	0.6
81.05714	0.3
81.07029	0.3
81.74474	0.3
84.04522	0.3
84.08138	0.6
85.02895	0.3
86.09692	0.4
89.03935	0.5
91.05476	0.6
93.07092	0.5
94.06583	1.2
95.04964	0.9
96.08099	0.4
97.02869	0.4
97.06522	0.5
108.08132	0.7
110.09674	0.6
111.97810	0.3
116.04974	0.9
119.08570	0.3
120.08099	0.9
122.06032	3.5
124.07615	2.0
127.03874	0.3
131.08606	0.3
131.46964	0.3
133.10167	0.3
134.06024	0.3
136.07585	2.1
138.05438	0.4
138.09142	0.6
140.07083	0.7
144.04472	2.0
145.10115	0.3
148.07591	0.5
150.05519	3.3
152.07060	0.5
160.07587	1.0
162.05511	0.8
163.03917	0.5
164.07060	0.4
166.08640	0.8
168.06662	1.4
172.03937	13.1
174.09178	0.4
182.08136	2.0
183.08798	0.3
184.07640	0.4
185.08487	0.3
186.09178	0.6
187.08833	0.4
188.07065	0.6
190.04988	1.4
196.09680	0.3
197.10783	0.3
198.09178	0.5
200.10745	0.7
201.10214	1.0
202.10960	0.6
203.11806	1.1
204.06561	16.2
210.09055	0.3
211.08713	0.9
212.09288	0.3
213.10233	1.1
214.08682	1.1
214.10661	0.3
215.08183	1.3
215.11804	0.7
216.12523	0.6
217.09787	1.2
217.13353	0.6
218.08400	0.3
227.11694	0.5
228.10129	1.1
229.09714	7.4
229.13388	0.3
230.10426	5.7
231.11229	2.6
237.10358	0.3
239.08144	0.5
240.08890	0.4
241.09723	2.2
242.10327	0.4
243.11330	3.2
244.12152	2.8
245.09204	0.7
245.12828	1.5
247.10808	1.1
254.10474	0.6
255.08853	0.4
255.11298	1.0
256.09723	1.9
256.73572	0.3
257.09305	1.2
257.12814	3.5
258.09970	3.8
259.07669	0.5
259.10773	7.5
260.11728	0.7
261.12384	0.7
271.10794	3.0
272.11539	3.9
273.12335	11.6
274.10593	1.1
274.13245	0.3
275.10242	2.0
283.10950	0.6
287.13968	0.5
289.11835	7.5
290.12579	3.1
291.13293	0.4
297.12448	0.4
299.10269	1.3
299.79968	0.2
300.11041	4.7
301.11865	7.2
303.13373	0.5
305.15085	0.8
315.13409	5.4
318.12122	3.4
319.12845	1.0
325.11868	2.7
331.55042	0.3
333.14444	100.0
334.14755	2.2
339.13214	0.3
351.15518	19.9
357.14627	1.7
476.57712	0.3
492.17453	0.7
504.17609	1.0
550.21729	1.0
657.24701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01859	3.1
55.05513	15.7
57.03430	4.4
57.07077	5.3
59.04986	4.4
61.02909	4.5
65.03931	2.8
67.05508	20.3
69.03155	0.9
69.03437	10.7
69.06738	1.3
69.07074	17.0
70.06580	3.6
71.04996	7.6
71.52345	1.0
72.08142	1.0
73.02897	2.6
79.05493	15.1
81.03422	7.7
81.07060	50.9
83.04972	2.2
83.08621	15.2
84.04530	1.3
84.08157	1.6
85.02911	33.2
85.06541	18.6
86.09682	2.7
87.04465	2.0
87.05534	0.9
91.03934	1.4
91.05482	14.9
93.07049	34.6
95.04968	6.7
95.08611	53.6
97.02892	11.0
97.06532	2.4
97.10181	4.6
97.28519	0.9
97.46746	0.9
99.04443	2.8
99.08112	7.3
103.05437	1.3
105.07038	30.4
107.04955	1.7
107.08598	45.2
109.02881	3.6
109.06554	2.5
109.10167	44.8
109.10929	1.5
110.10497	1.3
111.08106	1.3
113.09652	53.5
115.05397	1.0
117.07024	6.0
119.08589	43.9
120.08089	1.0
121.10150	53.2
123.08086	2.0
123.11715	43.4
125.09646	4.1
127.03908	6.1
129.06976	4.0
130.07771	1.4
131.08582	16.6
133.10138	100.0
135.08022	1.7
135.11696	53.6
136.07526	1.1
137.09590	3.0
137.13307	1.7
139.11191	5.1
141.09085	1.1
141.12724	3.2
142.07751	1.4
143.08560	4.5
144.09279	2.8
145.04962	4.4
145.06497	1.6
145.10124	30.6
147.11696	24.5
149.09621	1.6
149.13272	14.7
151.11174	3.4
153.12737	2.4
155.10701	3.2
157.10139	6.4
158.10919	2.9
159.08086	1.1
159.11696	34.4
160.12350	0.9
161.09613	1.5
161.13258	10.8
163.03891	2.3
163.11220	1.3
163.14850	7.4
165.12740	3.0
167.14214	1.4
171.11685	3.5
172.12448	1.9
173.02403	1.0
173.13275	66.5
174.13737	1.6
175.14832	17.1
177.12791	5.3
177.16408	2.7
181.15900	1.0
184.07344	1.2
185.13229	3.6
187.14833	40.4
188.15358	1.4
191.14276	4.2
191.17984	1.8
193.15871	2.1
197.13306	1.3
199.14926	1.3
201.12724	1.1
201.16394	14.1
203.16112	1.5
203.17972	23.7
205.15871	12.4
209.13307	1.2
211.14827	1.3
213.16481	1.6
215.06993	1.7
215.17973	2.1
219.17523	1.3
225.16464	1.5
239.17967	1.2
241.19356	1.1
243.21092	60.3
244.21442	1.4
245.22565	3.3
261.22153	76.2
262.22562	2.2
265.14383	1.1
267.15915	1.4
271.20486	1.5
273.22092	4.2
285.22220	2.6
295.20258	1.0
297.22281	1.0
301.16702	1.0
351.23166	2.6
369.24179	3.9
387.25183	6.7
405.26373	2.6
423.27304	4.8
513.55212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01875	4.5
55.05521	17.7
55.91126	1.2
57.03436	6.4
59.05007	0.9
59.92855	0.9
60.73505	0.9
61.02934	10.5
65.03939	1.8
67.05512	28.2
69.03435	9.0
69.07078	11.0
71.04999	3.2
71.52428	1.6
72.03284	0.9
73.02928	6.1
79.05502	22.2
81.03428	12.8
81.07063	22.9
81.74335	1.0
83.04971	5.8
83.08630	8.2
83.18894	1.0
85.02911	9.9
85.06558	2.1
87.04453	1.4
90.84332	1.0
91.03967	5.8
91.05493	20.6
93.07057	23.3
94.68340	0.9
95.04982	9.0
95.08619	16.7
96.08962	1.0
97.02907	7.2
97.06517	2.7
97.10187	9.2
99.04475	1.6
99.08115	1.3
101.02382	2.4
105.07037	18.1
107.04962	4.5
107.08600	14.0
109.06514	3.6
109.10179	11.0
111.08082	3.6
115.05481	1.1
116.06190	1.1
117.07025	10.4
119.08602	15.9
121.06506	4.5
121.10147	9.5
123.08076	4.2
123.11678	2.7
125.09646	7.6
127.03917	3.3
128.06190	2.2
129.07018	9.5
130.07805	1.3
131.04916	1.2
131.08595	17.4
133.10124	8.2
135.08066	4.7
135.11719	3.6
137.09657	1.9
141.07027	3.3
142.07802	1.6
143.08559	9.1
145.06528	3.7
145.10143	15.8
147.08031	2.6
147.11736	6.1
149.09601	4.0
149.13303	2.0
151.11110	1.5
153.06935	1.9
155.08556	4.5
157.10126	9.0
159.08066	3.9
159.11714	8.3
161.09616	2.5
161.13271	3.4
163.03876	1.1
163.11192	1.9
167.08556	2.7
169.10162	5.6
171.08121	2.3
171.11691	8.1
173.09653	2.1
173.13257	5.5
175.11217	1.3
177.12729	1.8
179.08577	1.2
181.10132	3.9
183.11691	5.8
185.09674	2.6
185.13286	6.7
187.11185	2.2
187.14847	3.7
189.09317	0.9
189.11250	3.6
189.12802	1.5
193.10359	1.0
193.12192	2.5
195.11749	2.2
197.13284	4.7
199.11212	1.9
199.14809	2.5
207.11679	1.3
209.13248	2.5
211.11296	1.5
211.14937	1.9
213.12788	2.2
223.14993	1.7
227.12790	4.4
233.15486	1.4
241.19540	1.4
259.20520	3.3
261.77579	1.0
267.15952	3.0
273.18564	1.3
275.20163	3.1
283.20578	2.5
297.22076	2.5
299.23737	6.1
301.21625	1.8
325.21521	1.2
329.21127	2.7
333.24435	2.3
335.23660	1.1
339.23270	1.5
403.24686	2.8
415.29944	2.3
421.25958	10.7
433.31232	5.9
435.27423	6.5
451.32022	5.8
461.28690	1.7
469.33069	3.1
489.33237	1.4
507.34937	1.7
525.28595	1.9
525.35876	23.9
543.36890	100.0
544.37201	2.5
567.36957	1.3
585.37769	1.9
651.38702	2.2
669.39685	3.7
677.40308	1.2
687.40332	6.3
705.41284	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	705.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01877	5.9
55.05515	20.8
57.03434	9.1
57.07069	1.5
59.32973	1.1
61.02934	9.6
65.03935	2.8
66.73155	1.0
67.05509	33.5
68.51973	1.1
69.03435	10.3
69.07071	11.4
71.04988	4.3
71.52493	1.2
73.02920	4.6
79.05497	30.7
81.02995	1.7
81.03427	18.9
81.06590	2.2
81.07061	31.9
83.05008	6.3
83.08628	11.2
84.21435	1.0
85.02905	9.6
85.06557	3.2
86.09675	1.4
91.03956	5.2
91.05487	25.0
93.07051	24.0
95.04979	19.6
95.08618	20.4
97.02894	9.2
97.06542	4.7
97.10163	9.9
99.04478	1.9
99.08062	1.9
103.05509	1.3
105.07043	17.8
107.04981	8.0
107.08614	16.9
109.02869	3.2
109.06541	7.3
109.07149	1.3
109.10151	11.8
111.04451	2.0
111.08102	3.0
113.06014	6.8
115.03966	1.2
115.05453	2.0
117.07034	16.9
119.04953	1.5
119.08600	18.7
121.06492	7.0
121.10152	9.9
123.04447	1.5
123.08074	5.0
123.11706	2.0
125.09641	8.4
127.03923	1.7
128.06172	3.2
129.07016	9.6
131.04904	1.6
131.08574	17.9
133.06473	4.1
133.10141	13.6
135.08037	8.0
135.11710	5.3
137.09564	2.4
141.07031	4.0
142.07826	2.2
143.08572	8.4
145.06500	2.8
145.10158	13.5
147.08057	4.7
147.11719	8.2
149.09636	5.1
149.13324	1.4
151.07483	1.6
151.11223	1.3
151.24438	1.2
153.09097	2.8
154.07800	2.0
155.08530	4.4
157.10149	11.1
159.08072	3.6
159.11713	10.5
161.09645	4.8
161.13280	3.1
163.11179	3.7
167.08583	2.8
169.10143	7.0
171.08073	2.1
171.11661	7.7
173.04495	2.6
173.09625	4.2
173.13303	5.2
175.11177	2.9
175.14836	1.5
177.12769	2.0
179.10672	1.2
181.10162	3.7
183.11732	3.6
184.07410	1.8
185.09689	1.9
185.13235	6.8
187.11230	3.6
187.14865	3.0
189.11259	3.3
189.12744	1.7
191.10693	1.5
193.12279	3.3
195.11729	3.7
197.09610	2.3
197.13289	4.0
199.11163	1.6
199.14853	2.4
201.12793	2.7
203.14268	1.5
207.11674	1.8
209.13246	3.8
211.11359	1.8
211.14949	2.9
213.12889	2.0
215.14493	1.9
217.15910	1.5
223.14885	1.3
225.16451	1.4
227.12817	3.8
229.16089	1.4
233.15321	1.3
237.12535	1.2
241.16057	1.7
243.15846	1.7
245.15550	1.6
247.17049	1.3
257.19073	2.3
259.20728	1.8
264.33548	1.2
265.19635	1.4
267.15945	5.3
273.18576	2.0
275.20120	4.6
281.17667	1.4
283.20563	2.3
287.16583	1.5
291.19547	4.3
299.23663	7.3
301.21487	1.5
329.21225	2.1
333.24228	1.3
357.24500	1.8
365.23938	1.2
367.22464	2.0
385.23563	2.2
403.24783	2.7
415.30090	2.4
421.25949	8.3
433.31122	3.1
435.27567	8.3
447.27219	1.3
451.31891	5.3
459.27380	3.9
469.32968	3.4
477.28275	3.4
525.35895	23.0
541.35022	2.0
543.36908	100.0
544.36719	1.6
558.48816	1.3
567.36023	1.5
585.36816	1.6
609.38324	2.5
613.35126	2.4
633.37061	1.7
651.39288	2.4
669.39313	3.2
671.85468	1.2
677.40302	2.8
679.65076	1.3
687.40179	6.5
705.41522	19.8
736.33832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.05520	1.0
56.05028	0.7
57.03430	0.3
57.07074	0.4
58.06610	0.4
60.08167	6.3
60.71225	0.2
66.73583	0.2
67.05507	1.2
69.07063	0.9
69.71022	0.4
69.71445	1.0
71.07381	3.3
71.08635	0.6
79.05482	0.6
81.03442	0.3
81.07073	1.3
81.20496	0.2
83.08623	0.8
86.09713	30.7
91.05486	0.6
93.07047	0.8
95.04966	0.3
95.08603	0.9
97.10176	0.4
98.07809	0.2
98.98471	2.6
104.10766	2.7
105.07032	0.3
107.08622	0.5
109.10169	0.4
115.05370	0.2
119.08572	0.4
121.10139	0.5
125.00016	20.5
125.09622	0.2
131.08617	0.2
133.08588	0.3
133.10104	0.2
136.06203	6.9
141.70811	0.2
147.11690	0.2
149.13351	0.4
179.14331	0.3
180.89255	0.2
184.07353	100.0
185.07701	0.6
206.68323	0.2
267.15955	0.3
269.17542	0.6
292.86441	0.2
311.25919	0.7
339.29144	0.4
347.29932	0.2
439.90646	0.2
496.33987	0.3
505.38898	1.4
531.73590	0.2
573.48926	0.7
590.48590	0.6
702.47021	14.0
703.46637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05040	0.7
57.02706	0.1
57.07074	0.2
58.06382	0.1
58.06627	0.4
59.07380	0.2
60.08168	6.9
66.22128	0.1
67.05498	0.6
69.07038	0.2
71.07378	4.0
79.05484	0.2
81.07054	0.5
86.09710	31.2
89.06045	0.1
91.05489	0.1
93.07040	0.3
95.08620	0.3
98.98466	3.7
104.10747	2.2
107.08595	0.2
109.10146	0.2
119.08598	0.2
124.60847	0.2
125.00008	21.3
133.10091	0.2
143.01085	0.3
166.02705	0.2
174.59970	0.2
184.07347	100.0
185.07686	0.5
216.61168	0.2
253.14352	0.2
290.36462	0.1
311.25653	0.2
370.39365	0.1
392.24826	0.1
496.34167	0.2
507.15701	0.2
563.43427	0.2
608.26312	0.2
654.84344	0.2
704.45337	10.2
705.45587	0.4
712.16010	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10680	0.3
55.01872	0.4
55.05503	0.9
57.06840	0.5
57.07084	7.0
58.06605	1.7
65.03941	4.1
67.05486	1.1
69.03430	0.7
69.07063	0.6
69.30036	0.4
70.06601	15.7
71.08625	2.7
71.52313	0.6
72.08144	1.3
72.37153	0.3
79.05478	1.0
81.03416	0.5
81.07046	1.2
83.08609	0.4
84.08146	0.9
84.69379	0.4
85.10175	0.9
86.09692	1.2
88.07637	16.7
91.05496	0.5
93.07021	0.6
95.04961	0.7
95.08583	0.3
97.10221	0.5
102.09186	12.9
105.03320	0.4
105.07018	1.0
108.54635	0.4
109.10139	0.7
114.09096	0.4
115.78556	0.3
117.07089	0.4
119.00642	0.3
119.08611	0.5
121.02914	1.7
121.10123	0.5
132.10233	1.7
135.11673	0.4
139.03888	1.3
146.11768	2.1
147.04440	0.7
149.02361	57.2
149.03455	5.3
149.09671	0.4
175.03964	1.3
177.05521	0.5
184.07346	0.6
193.04979	25.6
212.23827	1.1
219.06575	1.2
225.05365	0.5
237.07568	4.2
238.25397	0.7
250.29788	0.4
256.26373	40.3
257.26660	0.8
269.04321	0.5
297.03958	1.4
300.29004	6.2
313.07132	0.9
341.06570	4.6
349.23575	0.4
359.07648	2.7
385.09213	9.9
403.10294	10.6
429.11853	19.0
473.14453	11.6
523.54602	0.4
640.34137	0.9
684.37689	1.2
702.38483	100.0
703.38934	3.3
730.38153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.52
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
53.91220	1.0
55.01877	8.9
55.05513	40.5
57.03441	11.9
57.07077	6.9
58.54291	1.0
59.05008	1.8
65.03933	4.3
67.05508	97.7
69.03438	2.7
69.07072	32.1
69.22357	9.7
70.65950	1.1
71.05013	7.3
71.05354	1.6
71.08241	1.6
71.08636	32.6
73.02908	1.4
77.03926	2.3
79.05496	70.6
81.03429	8.3
81.07061	100.0
83.04987	18.5
83.08624	25.7
85.02924	1.5
85.06551	6.5
85.10190	1.8
89.94033	1.0
91.05486	60.1
93.07047	77.3
95.04965	18.3
95.08613	53.8
97.06532	15.2
97.10162	13.3
99.08105	24.1
101.99622	1.2
103.05463	2.0
105.04539	2.7
105.06319	1.7
105.07034	37.9
107.04949	4.5
107.08603	38.7
109.06535	8.2
109.10162	18.5
111.08086	9.1
113.09650	5.3
115.05473	2.0
117.07018	20.9
118.46891	1.1
119.08591	29.1
121.06493	4.8
121.10151	22.8
123.08070	5.5
123.11704	6.5
125.09637	12.9
128.06219	1.5
129.07045	10.7
131.08586	21.5
133.06493	1.5
133.10144	23.9
135.08066	4.4
135.11699	17.3
137.09621	3.6
139.07613	1.4
139.11227	5.5
141.06915	1.7
141.12697	1.3
142.07866	1.6
143.08563	8.3
144.09396	1.3
145.06543	1.6
145.10114	13.7
147.08038	1.9
147.11687	13.6
149.09688	2.5
149.13263	21.2
151.11200	26.3
153.09187	2.0
153.12836	1.4
154.22015	1.1
155.08572	2.5
157.10112	7.1
159.11711	14.4
161.09634	2.2
161.13268	13.9
163.11195	14.6
163.14842	2.2
165.12738	7.0
169.10097	2.3
171.10269	1.9
171.11720	5.8
173.11732	2.9
173.13278	5.4
175.11195	1.4
175.14841	4.0
177.12709	6.5
179.14351	9.1
181.10091	1.9
183.11707	2.0
185.13264	4.8
187.14796	2.6
189.11230	6.0
189.12700	2.4
189.16350	1.5
193.12257	1.6
195.13802	13.2
199.14850	4.4
203.14307	1.2
213.14734	1.5
213.16513	1.8
215.18015	1.5
217.19545	2.0
221.15379	1.8
227.12758	14.5
229.14365	3.2
231.21080	2.8
233.15375	2.1
241.19525	5.1
245.13846	1.6
249.22227	1.6
251.16489	2.7
253.18152	2.9
259.18210	1.5
259.20569	9.1
261.22269	1.5
267.15851	3.2
269.17490	42.0
277.21643	42.0
278.22034	1.6
293.21140	1.6
295.22763	4.5
303.23160	1.4
311.23550	1.2
315.22906	1.4
323.25882	1.4
333.24231	2.7
339.23288	2.0
351.25327	44.7
351.29651	2.8
352.25543	1.4
353.24695	1.1
355.26419	1.4
367.24750	3.4
369.26291	3.2
389.26733	2.0
392.26248	1.2
421.25977	1.5
425.33881	1.2
431.27954	3.8
435.32550	3.3
439.26718	2.6
445.29404	5.0
447.31094	2.8
449.28763	2.6
453.33566	4.2
463.30585	41.4
463.37033	2.2
471.34454	3.6
489.36017	1.5
499.37622	1.3
517.38892	2.1
521.34314	1.3
527.37305	9.1
529.38727	3.4
545.38373	57.9
546.38489	2.3
563.39471	10.9
627.45764	5.4
645.46680	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	701.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01867	0.7
55.05510	0.6
56.07368	0.2
57.03435	1.5
59.04997	0.6
61.02926	3.2
67.05507	2.4
69.03437	1.7
69.07068	0.4
70.06590	0.8
71.01370	0.4
71.04996	0.9
71.52890	0.4
72.08147	0.4
73.02927	2.8
79.05499	2.2
81.03422	7.8
81.07061	1.7
83.04992	0.7
83.08617	0.5
84.08136	0.5
85.02909	3.9
85.06541	0.3
86.09715	0.7
87.04489	0.8
91.03953	1.6
91.05489	4.9
93.07044	2.9
95.04967	1.2
95.08611	1.4
97.02895	4.0
97.06528	0.6
99.04466	0.5
101.02377	1.5
103.03956	0.6
103.05503	0.3
105.07025	1.3
107.04955	0.3
107.08616	0.5
109.02906	1.0
109.06561	0.6
109.10144	1.1
111.08112	0.7
112.07162	0.2
115.03951	0.2
117.07011	0.4
119.08584	4.5
120.08118	0.4
121.06495	1.4
121.10149	0.7
123.08136	0.5
125.09711	0.2
127.03952	0.8
129.05464	0.3
129.07024	0.8
131.08562	0.5
133.10161	0.8
135.08107	0.3
137.09621	1.8
145.10138	0.5
147.08102	1.4
147.11725	0.6
149.09662	0.7
153.09070	0.3
157.10178	0.6
165.09122	2.8
175.11241	0.5
177.05540	0.6
179.10686	0.4
193.12265	1.1
213.65932	0.3
214.87988	0.2
223.09470	0.4
230.88255	0.2
239.12866	0.7
243.08408	2.0
251.12695	0.8
255.12025	1.9
259.07986	0.4
266.18030	0.3
283.15210	1.8
311.14743	0.6
441.17368	4.5
467.75366	0.3
469.20517	4.5
473.19983	8.6
501.23099	2.5
527.93860	0.3
539.28241	0.7
689.03717	0.3
701.33557	100.0
702.33722	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	698.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.0
55.01873	7.6
55.05515	36.8
57.03444	11.9
57.07084	7.4
57.67347	1.0
59.05009	1.0
65.03937	3.3
67.05508	90.4
69.03424	2.7
69.07072	32.9
70.96349	1.1
70.96680	1.7
71.04998	7.5
71.08636	22.9
75.29578	0.9
77.03932	1.9
79.05497	71.0
81.03427	7.9
81.07060	100.0
82.07392	1.3
83.04983	17.2
83.08629	23.9
83.09119	1.4
85.06547	7.2
85.10176	2.5
91.05484	53.6
93.07050	82.2
95.04976	18.7
95.08612	51.2
97.06533	13.9
97.10184	9.4
99.04462	1.7
99.08097	20.5
103.05484	1.2
105.04507	2.8
105.06310	1.4
105.07036	36.3
107.04949	3.5
107.08601	38.9
109.06518	8.8
109.10158	17.5
111.08107	6.6
113.06001	1.5
113.09676	4.7
115.05455	2.0
117.07033	19.1
119.08587	22.1
121.06496	4.3
121.10149	25.7
123.08089	4.4
123.11713	6.4
125.09650	6.9
127.07509	1.2
128.06227	2.1
129.07022	7.6
130.07765	1.7
131.08577	19.8
133.06517	1.3
133.10132	23.8
135.08044	4.1
135.11705	17.4
137.09596	2.4
139.11189	5.6
141.06943	1.3
141.12811	0.9
142.07831	1.2
143.08569	6.8
145.10127	14.6
147.08044	1.8
147.11710	13.1
149.09624	2.5
149.13261	20.0
151.11186	21.9
151.14841	1.4
153.09088	1.2
153.12724	1.5
155.08549	2.1
157.10112	7.0
159.10657	1.2
159.11722	13.4
161.09679	1.2
161.13283	10.4
163.11194	13.2
163.14845	2.1
165.12767	8.5
166.08609	0.9
167.08475	1.0
167.14339	1.6
169.10077	2.1
171.11674	6.6
173.11769	1.8
173.13257	3.2
175.11194	2.4
175.14780	3.1
177.12747	7.0
179.14310	6.8
181.10126	2.0
183.11693	2.4
185.13274	4.2
187.14784	1.5
189.11215	2.3
189.12787	1.8
193.12225	1.5
195.13838	11.8
197.13271	1.9
199.14851	3.0
203.14322	1.1
207.13907	1.5
209.13293	1.4
211.14954	1.3
217.19560	1.1
221.15396	2.1
227.12805	7.2
227.17880	1.1
229.14325	2.6
231.21100	2.5
233.15366	1.9
240.82376	0.9
241.19510	5.1
249.22185	2.0
251.16400	4.2
253.17847	1.3
259.20590	7.4
267.15863	2.8
269.17480	47.3
270.18109	1.2
271.37683	1.0
275.20145	1.2
277.21643	33.6
293.21240	1.0
295.22693	9.9
297.17117	1.3
301.21759	1.4
315.23099	1.4
317.24982	1.6
323.25891	1.6
333.24255	3.2
339.23251	1.4
349.23651	1.4
351.25311	38.6
352.25919	1.6
355.26321	1.1
367.24838	3.3
369.26324	7.8
423.27240	1.6
431.27783	3.3
435.32291	2.0
435.55176	1.0
445.29355	4.5
447.30981	3.0
449.28751	1.6
453.33609	3.3
463.30563	56.9
464.31015	1.6
471.34723	2.7
489.35791	1.1
501.35800	1.3
505.35074	1.2
509.37143	1.7
517.38989	3.0
521.34570	1.1
527.37482	7.2
529.38196	1.1
545.38397	43.9
563.39465	8.3
627.46429	4.6
645.46722	4.0
663.47900	2.3
698.42969	1.3
699.43982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.9
53.03941	3.6
55.01869	1.4
55.05273	1.1
55.05515	13.5
57.03442	10.7
57.07064	2.7
61.02918	2.9
65.03927	2.2
67.05509	53.9
69.03426	2.3
69.07073	15.2
69.33213	2.2
69.33632	4.2
71.01343	0.9
71.04983	3.2
71.08627	2.3
73.02905	1.5
74.09711	0.7
79.05498	46.1
81.03415	3.9
81.07061	58.8
83.04970	3.6
83.08621	10.2
85.02913	2.8
85.06544	2.7
90.09164	0.8
91.03957	1.1
91.05487	21.7
93.07048	59.4
94.27181	0.8
95.04972	5.7
95.08610	26.6
97.02930	1.6
97.06531	6.6
97.10173	2.8
97.31548	0.7
99.04408	0.7
99.08106	4.7
105.04493	1.3
105.07033	14.5
107.04941	1.3
107.08604	28.5
109.06513	2.0
109.10162	7.9
111.08090	4.4
113.09635	2.2
117.07024	8.3
119.08585	8.9
121.06556	0.7
121.10149	26.5
123.08086	1.4
123.11727	4.5
125.09643	2.5
129.06967	1.7
130.07832	0.7
131.08583	10.4
133.10138	9.5
135.08046	1.5
135.11690	13.6
136.06187	13.8
137.09636	1.0
139.11208	1.6
145.10115	6.4
147.11716	4.9
149.09654	1.3
149.12086	1.1
149.13274	19.4
151.11177	1.2
159.11699	10.5
161.13304	2.2
163.11223	1.4
165.12711	1.2
173.13216	4.1
175.14784	0.9
177.12761	3.1
179.14323	0.8
195.12283	0.7
195.13821	5.3
205.19484	0.9
215.17979	9.0
227.12839	2.2
229.14162	0.9
233.19060	8.6
241.14465	2.0
267.15942	1.6
269.17496	53.1
270.17627	1.0
277.21481	1.6
295.22751	1.3
307.22687	54.1
335.26093	0.9
336.15741	0.8
351.25290	2.5
353.18439	0.7
448.69873	0.9
453.39453	0.8
459.41776	0.7
501.35767	100.0
502.36145	3.1
505.35300	2.2
519.37158	0.9
545.38354	2.5
627.45746	0.8
645.47052	1.1
688.65082	1.1
698.43518	4.6
699.44171	1.5
707.26459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.4
53.03937	3.7
55.01871	2.9
55.05513	20.7
56.05845	1.3
57.03157	2.2
57.03440	40.5
57.07064	3.2
61.02919	3.0
61.74326	1.0
65.03935	4.2
67.05508	54.9
68.05827	1.8
69.03419	2.3
69.07067	17.7
70.07392	1.4
71.01346	3.8
71.04986	3.4
71.08634	6.3
77.03918	1.5
79.05495	56.5
79.99015	1.0
80.05830	2.6
81.03433	5.9
81.07058	52.7
82.07379	4.5
83.04982	9.2
83.08626	20.9
85.02897	3.4
85.06535	2.4
87.55717	1.0
91.05479	27.4
93.07047	66.1
94.07369	2.3
95.04971	5.6
95.08605	37.5
96.08932	2.5
97.06545	4.4
97.10162	7.3
98.20638	2.2
99.04485	1.1
99.08086	6.0
102.34349	1.0
105.04480	2.2
105.07033	17.1
107.04963	2.2
107.08605	23.7
108.08981	1.6
109.06503	2.3
109.10157	11.3
111.08075	2.4
113.09634	2.4
117.07042	6.0
119.08592	12.6
120.08900	1.2
121.06487	2.2
121.10151	51.1
122.23940	1.1
123.08081	2.3
123.11743	5.2
125.09654	7.2
129.06998	4.2
131.08572	13.0
133.10132	9.0
134.10460	1.2
135.08038	2.1
135.11685	8.5
136.06136	2.9
137.09628	2.7
137.13289	1.9
139.11182	14.7
143.08574	2.5
145.10147	8.0
147.08089	1.2
147.11690	7.1
149.09615	6.7
149.13287	7.0
151.11139	3.6
157.10173	1.8
159.11699	8.2
161.13249	4.6
163.11217	2.8
163.14851	3.5
165.12766	2.0
167.10695	12.0
171.11647	2.2
173.13258	4.1
175.14877	2.1
179.14339	2.0
184.07251	1.4
185.11761	1.3
185.13219	1.3
187.14793	1.8
189.11256	3.0
195.13814	1.8
221.15225	1.4
224.30376	1.1
227.12785	8.0
239.12762	5.4
241.14354	100.0
242.14589	1.5
243.21106	5.4
253.17769	1.3
259.20697	2.5
261.22150	15.8
269.17511	6.5
270.17795	1.8
270.35117	1.1
275.20309	1.8
276.20438	2.1
277.21634	8.2
293.21072	2.1
295.22632	1.9
307.22733	2.5
317.24728	1.4
333.24295	1.4
335.25800	41.4
351.25366	7.3
352.25534	2.2
380.25928	1.1
409.30951	2.5
439.26849	2.4
465.31265	1.6
489.35977	1.1
501.35767	54.1
501.43201	2.5
502.35803	1.4
514.85938	1.1
519.36572	3.5
521.34760	1.2
527.37024	1.3
545.38281	12.6
547.38995	2.2
627.45599	3.6
645.47528	1.7
698.43713	3.6
708.35773	1.2
721.90405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58849	0.7
56.05004	1.1
61.02928	1.5
65.03924	1.1
67.05511	7.0
68.64031	0.7
69.07069	0.8
70.06599	100.0
71.04993	3.0
71.52560	1.4
79.05486	2.2
81.03425	2.3
81.07052	2.0
84.08154	41.8
91.05487	43.7
93.07045	2.5
94.06585	1.6
95.04972	1.4
96.08154	1.3
97.06573	0.8
103.05487	2.9
105.07037	3.0
106.06589	1.1
107.08614	1.3
109.10138	1.3
114.05515	1.3
117.05708	0.9
117.07024	1.4
118.06562	0.9
119.08589	1.5
120.08118	23.0
121.06503	0.9
121.10153	1.2
123.04400	1.0
130.06567	1.7
132.04433	0.8
132.08072	0.8
134.06020	15.1
136.07574	3.7
144.04425	1.5
144.08093	1.9
146.06042	1.1
147.11679	1.3
152.07137	1.7
157.10051	0.8
160.07622	1.0
160.11987	0.7
161.09653	1.6
162.05460	2.0
165.05505	3.0
169.10184	0.8
174.10426	0.8
175.11223	1.2
180.06595	5.2
182.08195	1.8
184.11279	1.7
185.09654	1.8
186.12810	12.7
189.09140	3.1
202.12233	4.1
205.64311	0.8
207.11266	0.8
213.13824	0.9
219.14912	3.3
231.11342	70.8
232.11800	0.9
238.12338	1.0
241.13463	2.5
248.12866	6.3
259.10800	10.0
265.15506	30.8
276.16788	0.8
298.21432	0.9
315.91144	0.7
321.14505	1.2
321.19626	2.3
349.70987	0.9
362.20807	3.5
367.20230	7.3
370.17798	0.9
376.20386	1.1
388.18823	1.1
395.19687	24.6
404.19827	1.2
412.22260	1.8
422.20908	4.0
423.19174	1.2
440.21774	8.3
450.20291	16.5
459.80963	0.9
468.20984	3.0
505.24359	1.9
509.27386	1.6
523.25360	3.6
535.25079	1.3
551.25031	18.0
653.29773	1.9
670.32275	4.6
680.30792	0.9
698.33478	13.2
699.35638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.05518	5.3
56.05045	3.5
57.03422	0.5
57.07084	2.7
58.06591	0.5
60.04528	1.8
61.02923	0.7
61.71568	0.3
62.95248	0.4
65.03941	0.9
67.04234	0.5
67.05510	12.3
68.05020	1.1
69.03429	2.2
69.07075	7.7
69.30454	2.5
70.06599	2.2
71.04958	0.5
71.08636	1.5
72.08161	3.0
73.02905	0.3
74.09705	0.5
76.03995	0.4
79.05498	9.2
80.05023	3.1
81.03408	1.2
81.05798	1.3
81.07063	10.8
82.06129	0.4
82.06586	5.6
83.08624	4.2
84.08112	0.3
85.02911	3.6
85.10168	0.9
86.06062	0.4
87.22578	0.3
91.04922	0.3
91.05487	8.4
93.05786	0.8
93.07051	8.4
94.06577	16.7
95.04967	0.9
95.07355	8.0
95.08613	7.6
96.08143	5.3
97.02879	1.3
97.06518	0.5
97.10188	2.3
98.21368	1.0
100.07619	0.5
105.04510	0.3
105.07042	6.2
106.06598	0.4
107.07375	0.4
107.08600	4.5
108.08131	2.8
109.10161	2.9
111.11726	0.8
114.07677	0.3
117.06998	0.5
119.08592	4.9
120.08084	0.3
121.08907	0.4
121.09286	0.5
121.10157	5.4
122.09683	2.6
123.11709	1.2
124.11240	0.4
127.03915	0.5
133.10133	3.4
135.10612	0.6
135.11697	2.7
136.11227	0.8
137.13319	0.5
145.04875	0.4
147.11688	1.2
149.13242	0.8
151.14799	0.6
161.13211	0.9
165.16437	0.3
193.19450	0.5
219.21056	0.6
233.22673	3.2
234.22253	0.6
245.22688	4.4
247.24106	0.5
250.25311	6.2
254.24837	1.3
262.25311	100.0
263.25638	1.1
264.26929	0.7
272.25824	5.3
280.26349	6.0
312.25351	0.8
314.27094	0.4
442.31396	1.0
473.18240	0.3
488.48886	0.3
504.47845	4.0
516.47803	31.2
517.48096	0.9
518.49390	8.2
534.48792	7.2
585.45166	0.4
696.54156	6.5
697.54858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
53.17644	0.2
55.01864	0.5
55.05512	6.5
56.04799	0.3
56.05045	3.8
57.03427	0.4
57.07075	2.9
58.02953	0.3
58.06591	0.7
60.04527	2.7
61.02919	0.6
65.03930	0.5
67.04241	0.4
67.05507	12.0
68.05016	0.9
69.03439	2.4
69.07069	8.1
70.06591	2.4
70.09728	1.2
71.08638	1.8
72.08123	0.4
73.02896	0.4
74.06095	0.3
74.09721	0.3
75.52276	0.2
76.03998	0.3
77.03885	0.3
78.86928	0.2
79.05494	9.4
80.05017	3.3
80.05791	0.2
81.03396	0.9
81.05799	1.9
81.07056	10.7
82.06583	7.4
83.08624	5.4
84.08126	0.7
85.02901	4.0
85.10170	0.8
91.05485	8.9
93.05776	0.8
93.07047	10.1
94.06570	20.4
95.04969	0.9
95.07354	9.0
95.08609	8.6
96.08130	6.4
97.02906	1.7
97.06558	0.4
97.10176	3.1
98.06074	0.2
99.04463	0.4
99.90968	0.2
100.07637	0.3
101.60324	0.3
105.04523	0.4
105.06315	0.4
105.07029	6.2
107.07360	0.5
107.08588	4.9
108.08117	3.4
109.02879	0.3
109.06515	0.3
109.10170	3.4
110.09712	0.4
111.11697	0.8
117.07005	0.4
119.08583	5.2
120.08124	0.2
121.08911	0.5
121.10151	5.7
122.09686	2.3
123.11728	1.2
124.11229	0.3
127.03902	0.9
131.08582	0.4
133.10143	4.2
134.09671	0.7
135.10439	1.0
135.11690	3.1
136.11215	0.8
137.13254	0.9
145.04996	0.4
147.11682	1.7
149.13255	1.0
151.14815	0.4
161.13263	1.0
163.14844	0.5
165.16396	0.3
175.14891	0.3
189.16537	0.3
191.17932	0.3
193.19557	0.3
196.20564	0.3
219.21089	0.7
220.20547	0.3
233.22678	2.0
234.22260	0.6
237.22395	0.3
245.22647	4.8
247.24278	0.3
250.25323	6.3
254.24887	1.2
260.23700	0.6
262.25299	100.0
263.23270	0.4
263.25851	1.6
264.26901	0.6
272.25836	4.9
280.26346	4.9
312.25302	0.8
314.26837	0.4
338.30322	0.2
348.29233	0.3
368.31363	0.3
442.31497	0.6
504.47845	3.8
516.47778	28.1
517.48029	1.0
518.49371	6.9
534.41107	0.4
534.48822	6.5
696.42834	0.3
696.54102	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	696.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78097	2.3
53.03937	9.4
55.01871	17.8
55.05516	30.4
57.03432	11.5
57.07061	8.3
65.03928	6.1
66.96944	2.4
67.05508	94.4
68.33295	2.3
69.03415	6.4
69.07069	31.2
71.04989	4.5
71.08638	18.7
77.03905	2.2
79.05497	64.0
81.03439	11.0
81.07063	100.0
83.04987	19.6
83.08630	22.0
85.02900	2.5
85.06532	7.3
85.10146	4.5
91.05488	62.5
93.06496	4.4
93.07052	61.5
95.04974	23.2
95.08614	55.0
97.02871	2.8
97.06525	13.3
97.10165	10.1
99.08094	15.5
105.04479	3.8
105.07036	49.1
106.66601	2.3
107.04949	13.9
107.08607	48.7
109.06517	10.4
109.10157	38.9
111.04468	3.4
111.08073	9.0
113.09653	6.4
117.07030	12.1
119.08596	22.4
121.06511	6.9
121.10145	23.8
123.04461	2.8
123.08072	10.7
123.11691	12.3
125.09620	9.3
127.07578	2.4
129.07013	5.7
131.08554	19.7
133.10139	54.1
135.08037	4.9
135.11720	17.5
137.05960	15.2
137.09607	9.6
139.11171	4.6
143.08559	5.4
145.10118	12.9
147.11734	13.6
149.09627	9.4
149.13246	12.4
151.11192	37.6
157.10127	5.3
159.11636	12.8
161.09634	5.8
161.13261	11.5
163.11221	13.6
163.14809	3.6
165.09102	6.7
165.12737	7.1
169.12158	4.3
171.11662	3.9
173.09631	2.6
173.11832	3.0
173.13252	4.2
175.11177	2.8
175.14836	4.2
177.12766	8.1
179.14282	6.3
183.37952	2.3
185.13330	4.8
187.14757	3.0
191.14285	4.2
195.13899	6.4
207.13850	2.4
215.13010	4.4
227.12860	4.7
228.99738	3.5
229.19466	4.6
241.19615	2.3
243.01639	2.7
247.20569	6.0
251.16254	2.9
253.14383	34.7
257.19199	4.2
259.20642	4.6
269.17548	20.7
275.20071	37.8
277.18228	4.5
277.21600	17.6
293.21170	28.7
295.22845	2.6
335.25772	5.5
349.23822	13.9
351.21677	3.5
351.25348	30.5
367.24741	25.0
408.13947	2.7
447.27396	5.2
529.38666	7.4
543.36578	10.0
547.36395	2.4
561.37921	91.5
562.38416	4.1
611.42670	10.8
643.45721	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	696.505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
52.33499	1.4
53.03945	6.8
55.01880	9.0
55.05516	42.5
57.03443	14.9
57.07073	8.4
59.05003	1.8
62.53124	1.6
65.03947	5.9
67.05509	100.0
69.03420	6.1
69.07076	43.0
70.09608	4.7
71.05010	8.1
71.08636	15.8
79.05498	78.2
81.03424	19.6
81.07062	99.6
82.07390	1.8
83.04995	17.1
83.08625	30.4
85.02906	2.2
85.06541	6.7
85.10206	2.8
91.04910	2.3
91.05487	68.5
93.07050	80.9
95.04972	25.0
95.08618	56.3
95.09244	2.9
96.08956	1.7
97.06540	15.7
97.10184	11.9
99.08086	12.9
103.05451	1.7
105.04536	2.8
105.07040	56.3
107.04957	9.0
107.08599	45.9
108.45380	1.8
109.06530	10.1
109.10161	23.5
111.04443	1.8
111.08115	10.9
113.09642	3.2
115.05454	2.8
117.07024	24.2
119.08582	34.9
121.06521	6.7
121.10165	27.3
123.08073	7.1
123.11739	7.7
125.09641	11.7
128.06210	2.1
129.07030	11.6
130.07800	1.8
131.08575	24.5
133.06496	2.2
133.10130	32.2
135.08073	5.5
135.11696	21.5
137.09581	4.5
137.13271	3.0
139.11186	3.6
141.07031	2.5
143.08591	9.2
145.10146	21.7
147.08020	2.1
147.11697	20.4
149.09669	11.1
149.13281	16.9
151.11160	12.4
155.08556	4.7
157.10146	8.6
159.11728	16.2
161.13280	10.9
163.11205	15.1
165.12744	5.2
167.10590	1.6
169.10144	6.2
171.11618	7.7
173.11899	2.9
173.13326	7.2
175.11154	2.9
175.14771	3.7
177.12790	5.6
179.14299	8.4
181.10158	2.3
181.12148	1.6
183.11768	3.4
185.13280	6.1
189.11182	4.8
189.12737	1.8
193.12271	4.4
195.11894	2.9
195.13850	8.9
197.13289	2.6
199.14886	2.1
203.14220	2.4
219.17422	2.1
227.12720	11.2
229.19646	1.6
239.18129	1.7
241.19531	3.5
247.20541	3.0
251.16525	2.1
253.14622	1.6
255.15970	6.2
257.19147	5.9
259.20743	2.8
262.25345	4.0
267.15915	5.2
269.17477	33.3
273.18646	1.9
275.20062	27.5
277.21591	19.8
291.19733	1.8
293.21182	5.9
307.22733	2.1
331.22604	3.4
349.23721	22.5
351.25317	21.7
367.24802	6.6
369.26376	6.0
435.32526	2.5
445.29480	4.4
447.30981	2.7
449.29004	16.7
451.31979	2.3
463.30585	24.6
505.38950	25.2
525.35614	2.1
543.36884	20.0
545.38214	14.5
561.37695	5.2
603.69934	1.9
625.44202	5.5
643.45288	6.2
661.47107	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	696.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01875	4.6
55.05514	19.1
55.60353	0.7
57.03441	7.3
57.07064	2.3
59.05000	0.8
60.08154	1.5
61.02919	1.2
65.03924	2.3
67.05506	39.0
69.03441	3.9
69.07069	18.3
69.28755	1.1
69.29152	4.4
71.04990	2.7
71.08633	23.4
79.05018	0.8
79.05493	28.9
81.03419	26.2
81.07059	37.8
83.04982	6.6
83.08615	9.4
85.02895	1.9
85.06528	2.8
91.05484	24.0
93.07045	31.0
95.04967	9.6
95.08607	22.0
97.02887	0.8
97.06533	5.0
97.10178	7.9
99.07498	1.2
99.08095	15.9
99.08745	0.8
105.04539	0.8
105.07037	12.3
107.04981	5.2
107.08595	18.2
108.05733	0.8
108.08915	0.6
109.06528	4.7
109.10141	9.5
111.08092	3.1
111.11720	1.0
113.09615	1.1
115.05449	1.1
117.07014	7.1
119.08594	11.6
121.06509	7.2
121.10143	9.2
123.08086	2.0
123.11703	2.6
125.09626	4.5
129.07018	3.4
131.00932	0.7
131.08577	7.5
133.10126	8.8
135.08043	2.9
135.11684	6.7
137.09592	5.7
139.11180	2.0
143.08554	1.3
145.10133	5.0
147.08058	2.0
147.11765	3.2
149.09567	2.0
149.13258	6.2
151.11192	9.7
157.10103	1.7
159.11716	5.8
161.09743	0.9
161.13278	5.2
163.11179	5.8
163.14828	0.8
164.11954	0.8
165.09126	4.9
165.12773	3.5
167.10658	1.6
171.11668	1.0
173.11807	0.8
173.13203	1.6
175.11142	1.0
175.14731	1.2
177.12764	4.4
179.10719	1.0
179.14314	3.1
185.09406	0.6
187.14865	0.7
189.11203	2.5
191.14363	0.8
193.12148	0.8
195.13823	2.5
199.14737	0.8
227.12730	4.8
237.14915	1.4
239.12781	14.1
241.19485	1.4
243.21304	1.1
247.20517	1.0
251.16460	1.9
259.20572	2.9
261.22128	2.2
262.25421	1.2
267.15991	1.4
269.17471	8.1
275.20035	6.8
277.21631	7.9
293.21112	100.0
294.21521	2.1
295.22510	0.8
317.24857	1.8
335.25827	10.8
351.25314	10.7
367.24796	17.4
367.29413	0.9
425.30560	1.5
465.31961	1.2
499.34213	5.8
517.34985	2.9
543.37036	3.1
561.37866	48.0
562.37860	1.3
625.44568	1.0
643.45599	9.9
661.46521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
53.51468	1.6
55.01870	4.7
55.05273	2.6
55.05516	30.1
57.03444	20.8
57.07064	4.8
61.02916	5.4
65.03943	3.7
67.05508	78.8
69.03424	5.6
69.07073	24.2
69.21766	15.7
71.04983	5.3
71.08643	13.9
73.02917	2.3
79.05496	73.0
81.03421	94.3
81.07057	81.5
83.04980	9.4
83.08626	29.5
85.02891	5.6
85.06528	5.5
85.10183	2.0
91.03925	1.9
91.05487	48.9
93.07047	82.5
95.04977	34.9
95.08612	40.5
97.02876	4.9
97.06525	8.4
97.10139	9.5
98.21503	4.4
99.08105	13.5
103.93134	1.6
105.04522	2.2
105.07034	38.3
107.04950	10.0
107.08596	35.7
109.06533	9.1
109.10166	21.8
111.04452	1.8
111.08086	11.3
113.09646	3.2
117.07010	11.9
118.75356	1.9
119.08591	32.4
121.06518	11.6
121.10148	32.8
123.04428	3.4
123.08079	6.0
123.11691	7.1
125.09608	8.4
126.94542	1.7
129.07008	12.8
131.08569	27.5
133.06508	3.6
133.10144	21.7
135.08070	2.1
135.11693	27.2
137.09624	8.0
137.13283	2.0
143.08534	4.7
143.73628	1.6
145.10118	13.8
146.10315	2.1
147.04404	2.3
147.08047	3.7
147.11705	19.6
149.09669	8.8
149.13269	11.1
151.11185	7.5
157.10141	12.8
159.11694	10.2
161.05957	1.6
161.09601	2.4
161.13277	5.7
163.11168	7.8
163.14781	2.3
165.09126	2.8
165.12767	4.1
169.10155	1.9
171.11684	3.6
173.09642	1.8
173.13263	7.0
175.11224	10.9
175.14801	2.6
177.12752	5.6
179.14156	1.9
187.14807	3.4
189.11221	6.9
193.12245	18.9
203.14543	2.4
205.19496	3.0
211.13159	2.3
215.17979	27.1
227.12753	6.9
233.19041	22.5
247.20795	1.9
251.19815	2.1
259.20566	3.0
262.25159	3.0
267.15930	100.0
269.17490	5.0
271.20538	2.1
273.22134	3.8
275.20029	11.8
277.21664	6.3
293.21109	59.9
295.22656	5.8
307.22687	88.1
309.17035	4.5
335.26086	3.3
349.23727	3.3
351.25238	10.2
367.24799	13.0
369.26492	2.2
379.99728	1.9
407.24570	2.0
407.29407	4.8
425.30328	5.3
443.31552	2.3
499.34186	42.0
500.34137	2.3
503.37115	2.9
517.35284	27.4
537.00220	2.3
541.35010	5.9
561.37872	24.5
643.45959	8.9
661.46356	2.5
692.30774	1.9
696.44080	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01850	1.1
55.05281	1.1
55.05516	16.4
57.03445	8.4
57.06828	1.1
57.07080	10.3
58.26368	0.8
61.02932	25.6
65.03912	1.9
66.44921	0.7
67.05509	71.9
69.03437	4.2
69.07072	25.5
71.04982	1.4
71.08640	6.8
71.29512	1.7
73.02918	9.8
75.04463	1.1
79.05492	22.9
81.03436	1.9
81.07059	89.1
83.04954	2.4
83.08617	18.9
85.02909	28.3
85.06541	3.1
85.10184	3.1
91.03418	1.4
91.03960	24.0
91.05479	13.0
92.46407	0.8
93.07047	25.6
95.04963	1.1
95.08612	75.1
96.08909	1.2
97.02893	14.7
97.06532	8.1
97.10169	13.5
99.04430	1.4
99.08077	3.5
103.03950	1.4
105.07032	9.9
107.08603	17.9
109.02889	1.8
109.06544	1.3
109.10160	39.8
111.08076	4.3
111.11707	3.8
112.58298	0.7
113.09666	1.6
115.03929	1.6
117.05456	0.9
117.06973	1.6
119.08585	12.7
120.70318	0.9
121.09334	1.7
121.10155	21.7
123.08069	1.5
123.10827	1.4
123.11707	18.5
125.09652	2.9
125.13271	1.3
127.03934	7.6
127.11118	1.1
131.08536	0.8
133.10146	16.7
135.11693	12.0
137.09555	2.2
137.13263	8.7
139.11166	2.5
139.14761	1.0
141.12723	3.6
145.04964	12.9
147.11688	10.8
149.13269	11.4
151.11230	1.4
151.14839	6.1
153.12781	0.9
155.14301	2.8
159.11646	1.1
161.13246	14.0
163.06024	18.5
163.14851	9.8
165.12692	1.3
165.16415	9.1
167.14313	1.2
175.14842	9.6
177.16351	2.5
179.14401	1.2
179.17944	7.2
181.15814	1.1
189.16438	4.4
196.24522	0.8
203.17917	0.9
217.19495	1.5
235.26320	0.8
245.22665	65.4
246.22955	1.6
263.23715	100.0
264.24008	1.3
265.25204	1.7
281.24783	2.6
337.27368	70.8
338.27689	1.3
355.28421	18.1
355.46957	1.0
499.32724	7.0
516.33691	1.1
641.57306	1.0
644.64496	0.9
713.20618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91136	0.8
53.03931	1.8
55.01852	1.6
55.05512	12.7
56.83500	1.0
57.03431	5.1
57.07079	8.6
61.02927	19.8
65.03944	1.9
66.17775	0.9
67.05506	60.3
69.03419	3.3
69.07072	18.3
70.09894	1.4
70.10297	2.7
71.05008	1.4
71.08636	4.7
71.94982	1.1
73.02906	9.3
75.04478	1.3
79.05070	1.4
79.05495	16.4
81.03413	2.6
81.07057	72.5
82.07361	1.1
83.04967	1.8
83.08621	16.3
85.02905	28.4
85.06509	2.4
85.10173	2.5
91.03957	24.3
91.05476	13.5
93.07047	23.3
95.08607	63.7
96.04397	1.2
97.02897	14.8
97.06539	5.9
97.10173	9.3
99.04450	1.7
99.08077	3.4
105.07046	11.1
107.08592	16.1
109.06541	1.6
109.10159	34.6
111.08076	2.9
111.11712	3.0
113.09680	1.2
115.03947	1.6
117.06974	1.1
118.96873	1.0
119.08575	10.0
121.06541	1.3
121.10155	21.3
123.08062	1.4
123.11708	16.1
125.09628	2.0
125.13277	1.5
127.03932	7.7
127.11234	1.2
127.21021	0.9
131.08597	1.8
133.10136	13.2
135.11693	11.0
137.09622	1.9
137.13272	5.9
138.79919	1.0
139.11194	1.8
140.70781	1.1
141.12729	2.6
145.04974	12.2
147.11691	10.1
149.09743	0.9
149.13252	9.3
151.14822	6.1
153.12701	1.1
155.14296	2.5
161.13258	13.0
163.06021	22.3
163.14801	10.3
165.16386	10.1
170.61774	1.2
175.14832	7.8
177.16382	1.3
179.14346	1.7
179.17964	6.3
181.12288	1.2
188.44579	0.9
189.16353	4.6
202.63947	0.9
203.17976	1.4
207.17560	0.9
227.12823	1.1
230.59993	1.0
245.22673	58.0
253.35626	1.0
263.23706	100.0
264.23956	1.5
265.25299	1.6
281.24783	2.7
307.22815	1.8
308.22836	1.3
337.27380	44.7
355.28384	12.4
516.33807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03712	0.7
53.03946	2.9
55.01870	2.9
55.05508	6.1
57.03444	11.6
61.02930	0.9
65.03949	0.7
67.05511	16.4
67.05837	0.6
69.03439	2.9
69.07070	5.5
69.66238	0.7
71.04981	4.1
79.05495	14.5
81.03422	100.0
81.07059	12.9
82.54059	0.6
83.04995	5.6
83.08632	11.4
85.02908	9.1
85.06542	0.9
91.05488	37.3
93.07048	15.6
95.04979	15.1
95.08605	10.8
97.02869	3.4
97.06522	3.2
97.10162	2.3
99.08080	0.7
99.16257	0.6
103.05499	1.0
105.07037	11.6
107.04959	6.5
107.08611	4.6
109.06507	3.2
109.10162	6.8
109.95759	0.7
110.85004	0.6
111.04450	1.2
111.08092	5.6
115.05522	0.8
117.07001	3.8
119.04966	1.2
119.08588	37.2
119.84225	0.8
121.06530	6.0
121.10145	4.6
122.96847	0.6
123.04430	0.7
123.08080	2.7
125.06013	0.7
125.09635	2.9
126.12447	0.6
127.07449	0.7
129.07016	7.0
131.04993	1.0
131.08585	7.0
133.06490	2.2
133.10114	5.0
135.08083	2.6
137.09619	21.8
141.07056	1.4
142.07802	1.1
143.07019	1.2
143.08537	1.0
145.05098	0.8
145.06537	3.1
145.10126	1.6
147.04437	1.0
147.08046	7.2
147.11696	6.5
149.09641	4.0
151.11255	0.9
155.08517	1.2
157.06476	1.1
157.10156	5.3
159.08018	0.9
159.11687	1.3
161.05930	0.8
161.09669	1.4
163.11246	1.6
165.09114	18.8
165.12790	0.9
168.21190	0.9
169.10199	2.0
171.08052	1.6
175.11188	8.0
181.53790	0.6
183.10194	2.4
183.11732	1.1
185.09645	1.4
189.09183	0.9
189.11230	0.7
191.10789	0.8
193.12247	16.1
195.08067	0.7
199.11240	0.8
199.13322	0.7
203.10611	0.9
204.09293	0.7
205.12233	1.3
209.09671	1.0
209.13333	0.8
211.11320	1.5
211.13242	7.4
215.10703	1.1
227.10687	5.0
227.14389	0.7
229.12265	0.8
239.12790	61.4
240.13083	1.1
245.11795	1.2
249.14871	1.2
255.13907	1.0
257.13818	8.4
267.15918	48.2
268.16345	0.9
273.14764	3.2
285.16879	7.0
301.14441	0.8
311.20160	2.2
313.17850	3.3
321.18619	3.0
329.21225	2.2
339.19577	10.2
347.14883	0.8
357.20590	12.1
375.21713	2.3
377.21359	1.1
387.21530	1.5
405.22748	16.0
413.23145	7.2
431.24316	79.3
432.24777	1.1
449.25363	50.5
450.25311	0.9
463.26941	1.6
464.55084	0.8
473.25311	0.9
491.26840	1.2
516.29517	0.9
537.81110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91168	0.1
55.01858	0.4
56.05006	0.2
60.37655	0.1
67.05493	0.2
69.03376	0.2
69.07042	0.4
69.25610	1.0
69.26021	0.3
70.06596	1.4
72.08119	0.4
81.03387	0.2
84.04447	0.2
84.08106	0.6
85.02866	0.2
86.09717	0.9
91.05449	0.2
94.06558	0.3
95.04925	0.4
97.02818	0.2
97.06479	0.2
98.09640	0.2
100.11223	0.4
102.45894	0.2
108.04487	1.5
108.08067	0.4
109.98573	0.2
112.07520	0.2
119.08543	0.2
120.08076	0.3
122.06018	0.7
129.10280	0.3
136.07611	0.9
138.05562	0.7
138.09038	0.2
140.07092	1.1
146.05968	1.2
148.03938	0.3
148.07538	0.7
150.05496	0.3
161.22276	0.2
164.07123	0.2
166.05013	0.8
167.07103	0.2
168.06584	2.7
174.05542	0.9
182.15350	0.2
194.09564	0.2
196.11328	0.3
197.10704	0.3
198.09222	0.3
199.08641	0.7
204.06508	0.2
206.08144	1.0
208.09863	0.3
209.08264	0.3
210.09291	0.2
210.11404	0.3
211.06699	0.3
211.08681	4.2
211.12233	0.8
212.07043	0.2
212.09355	1.1
213.10194	1.1
221.10623	0.8
222.09149	1.1
222.11349	0.3
223.08612	0.8
223.12271	0.6
224.10979	1.4
225.10205	4.0
226.11002	0.7
227.08142	0.7
227.11725	0.4
237.10231	0.4
238.08682	0.2
238.10901	0.2
239.07996	0.4
239.11803	7.7
240.09018	0.6
240.12560	0.6
241.07550	0.2
241.09724	1.9
241.13437	0.9
242.10414	0.5
249.10255	0.7
250.08794	0.9
250.10945	0.3
251.08293	0.8
251.11749	0.4
252.08545	1.3
253.09721	4.8
254.10478	0.8
255.11308	0.5
256.11981	0.3
257.12854	0.7
259.14594	0.2
266.10474	0.3
267.11292	9.7
268.12054	0.2
269.09378	0.3
269.12839	1.5
273.12332	0.3
277.09930	0.2
278.08096	0.2
280.08435	0.3
281.09152	0.6
283.10776	0.4
284.11502	0.7
285.09262	0.3
285.12357	1.3
287.13831	0.2
295.10779	5.2
296.09106	0.2
297.12256	1.3
298.10657	0.2
299.10248	0.2
301.11621	0.2
305.15186	0.2
313.11829	35.6
314.12296	0.9
315.13220	0.7
323.10300	1.7
327.13397	0.4
341.11334	11.3
342.11984	0.5
355.12924	1.7
359.12363	1.7
373.13953	100.0
374.14294	2.2
375.14935	0.2
627.24432	0.6
645.25464	0.6
659.27466	1.5
677.28290	0.7
677.49548	0.5
695.50696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00103	0.2
55.01861	0.3
55.18725	0.2
67.05476	0.2
69.07030	0.4
69.44835	1.0
69.45264	0.3
70.06544	0.6
70.19193	0.2
72.86410	0.2
80.04987	0.2
84.08134	0.3
86.09662	0.3
94.06537	0.2
95.04926	0.3
98.06028	0.4
98.20795	0.3
108.03833	0.2
108.04491	3.2
108.08115	0.4
120.04443	0.2
120.08070	0.3
121.46689	0.2
122.06002	0.8
124.07576	0.2
126.05438	0.2
136.06638	0.2
136.07603	1.1
138.05467	0.8
140.07095	1.4
144.04494	0.3
146.06032	1.6
147.06793	0.2
148.03865	0.3
148.07585	1.1
150.05446	0.4
159.53540	0.1
163.03873	0.2
164.07048	0.7
166.04973	0.8
167.28578	0.2
168.06570	4.4
172.03902	0.4
174.05560	1.1
181.08809	0.3
183.10493	0.2
184.07588	0.2
193.07507	0.2
194.09660	0.3
196.11229	0.3
197.10632	0.3
198.09305	0.3
199.08688	1.6
201.10112	0.3
204.06612	1.1
206.08157	1.9
209.08324	0.2
211.08669	5.7
211.12094	1.0
212.09415	1.3
213.10246	1.9
214.10913	0.3
221.10757	1.2
222.09126	1.1
222.11166	0.3
223.08595	1.2
223.12250	0.6
224.09055	0.5
224.10693	1.5
225.10214	5.3
226.07339	0.6
226.10754	0.9
227.08130	2.0
227.11745	0.6
228.08830	0.2
237.10210	0.3
238.08641	0.2
238.10921	0.4
239.08209	1.1
239.11789	8.7
240.08698	1.1
240.12517	0.7
241.09732	2.8
241.13400	1.1
242.10437	1.5
249.10193	0.9
250.08624	1.2
250.10858	0.3
251.07947	0.9
251.11868	0.5
252.09047	1.2
253.09724	5.6
254.10492	1.1
255.11241	0.8
256.12051	0.3
257.12802	0.7
267.07858	0.6
267.11288	12.1
268.09216	0.3
268.12036	0.7
269.09601	0.3
269.12872	1.7
273.12292	0.3
277.09729	0.3
278.08023	0.3
280.08386	0.5
281.09222	0.8
283.10767	0.7
284.11517	0.7
285.09332	0.3
285.12344	1.7
286.12833	0.2
287.13815	0.6
295.10788	6.7
296.08954	0.3
297.12445	1.3
298.10397	0.3
299.10245	0.2
301.11960	0.3
303.13275	0.5
305.14868	1.9
313.11826	39.9
314.12262	0.8
315.13141	0.4
323.10300	1.9
325.11679	0.2
327.13388	0.3
341.11340	20.3
342.12054	2.9
346.22684	0.2
355.13019	2.2
359.12360	2.2
373.13959	100.0
374.14352	2.0
375.15332	0.3
627.24146	0.9
641.26190	0.3
645.25537	1.8
659.26971	1.4
663.26965	0.9
677.28241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84414	2.0
53.03947	9.2
55.01872	22.0
55.05511	20.2
57.03192	3.3
57.03444	33.7
57.07062	2.1
61.02934	10.5
65.03939	5.7
67.05507	53.8
68.99763	2.6
69.03435	31.0
69.07072	47.4
70.06599	5.0
70.12846	4.2
70.13196	7.7
71.01357	7.7
71.05000	19.7
72.08154	2.2
73.02927	32.7
75.85310	2.4
78.45472	2.2
79.05496	58.5
80.18890	2.0
81.03423	99.3
81.07062	76.5
83.01347	3.1
83.04990	21.4
83.08617	19.9
85.02911	64.5
85.06543	5.9
86.09706	3.1
87.00837	21.1
91.05492	49.2
93.07050	54.8
94.06548	3.2
95.04970	27.8
95.08611	45.2
97.02896	33.3
97.06535	20.4
97.10184	6.5
97.72728	2.0
99.04456	10.6
99.08088	9.6
105.01865	15.1
105.04530	2.2
105.07037	29.4
107.04946	16.1
107.08611	40.8
109.02897	24.4
109.06529	13.4
109.10155	16.3
111.04443	7.2
111.08089	9.9
113.06030	2.1
113.09686	2.3
115.03929	4.8
117.07034	24.2
119.08580	27.4
121.06528	15.0
121.10130	19.0
122.09678	3.6
123.04357	2.5
123.08067	8.6
123.11687	5.1
125.09641	59.2
127.03934	35.6
127.07545	2.3
128.10695	4.5
129.01894	2.5
129.05466	2.4
129.06981	6.9
131.08568	20.6
133.04958	2.8
133.06491	4.2
133.10150	16.1
135.08083	21.2
135.11722	24.4
136.06168	2.6
137.05983	4.0
137.09633	13.8
139.11188	4.6
140.10716	9.6
142.07838	2.5
143.08554	4.4
145.04965	8.9
145.06525	5.1
145.10127	18.5
147.08018	7.2
147.11700	8.2
149.09674	16.5
149.13254	7.4
151.11182	6.2
153.09142	3.0
153.12758	6.4
157.10139	7.1
159.02939	3.6
159.08054	3.7
159.11736	7.5
161.09579	4.6
161.13235	4.3
163.07542	9.5
163.11183	20.2
163.14789	2.8
165.09143	11.2
165.12811	3.8
167.14352	3.3
169.10103	2.3
171.08063	2.2
173.09642	3.8
173.13330	4.6
175.07533	3.3
175.11270	5.4
177.12805	3.6
179.10648	3.7
181.08662	2.9
181.12187	3.4
184.07376	2.6
187.14862	3.1
189.03940	4.0
189.09250	2.4
189.11089	2.1
189.12712	2.6
191.10716	6.1
191.14267	3.1
193.12224	8.8
201.09242	2.3
209.11774	3.1
211.13297	3.7
213.03963	2.4
213.12900	2.3
215.10748	3.0
217.12344	3.8
223.06041	3.0
223.16827	2.4
227.12775	13.2
231.05080	8.3
233.11729	2.7
239.12785	43.5
247.13214	2.9
249.06050	2.4
255.12335	15.7
261.22147	12.0
263.23798	2.6
267.15918	15.2
279.23193	54.9
283.15454	21.9
285.16846	3.1
289.41910	2.2
291.23022	4.5
297.24313	26.0
303.23126	6.2
321.24258	13.8
335.36969	2.2
345.24451	3.0
347.21902	2.0
355.19034	11.4
359.25735	2.5
363.25287	7.7
365.23203	6.1
369.24365	5.2
373.20224	2.9
375.25336	4.2
381.26358	2.8
387.25067	11.3
405.26471	11.8
410.32813	10.1
411.27060	3.3
429.22757	16.8
447.23773	100.0
465.24942	7.0
489.25067	3.3
491.26563	2.6
497.27509	6.7
509.27289	8.4
513.49481	2.5
527.28448	9.0
694.40363	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	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05507	0.6
67.05499	0.5
69.07039	0.4
69.49728	2.7
70.06610	2.0
70.06921	0.5
72.08132	0.8
73.02881	0.5
76.02195	0.4
76.53481	0.5
77.55212	0.4
79.05475	0.9
81.03411	0.6
81.07047	0.7
84.04496	0.6
84.08134	0.9
85.02886	0.5
86.09678	1.9
91.05467	1.0
92.35698	0.4
93.06998	0.8
94.06560	1.0
95.07330	0.4
95.08566	0.6
96.08086	1.7
96.67855	0.4
97.02862	1.0
97.06509	1.6
98.20723	0.5
103.05446	0.8
108.04448	1.1
108.08125	2.6
110.06031	1.2
110.09686	2.1
115.08679	0.4
116.04945	1.5
117.06979	0.5
119.04878	0.6
120.04461	0.9
120.08125	2.4
122.06024	4.2
124.07591	3.4
126.78113	0.4
129.10219	0.8
134.06018	1.0
136.06073	0.5
136.07579	4.5
137.05899	0.6
138.05467	1.1
138.09135	2.5
140.07016	0.5
144.04431	3.7
146.05972	1.5
147.04404	0.4
148.07576	1.2
150.05479	1.9
152.07074	2.2
158.09613	0.9
160.07578	1.2
162.05479	1.4
164.07082	1.2
166.08618	4.6
172.03935	19.6
172.07535	1.0
172.11310	0.4
173.04579	0.5
174.09167	0.7
175.08696	0.7
175.12349	0.5
178.04948	2.4
184.07582	0.6
186.09158	4.1
187.08658	0.9
188.03368	1.5
188.06999	0.7
188.09442	1.0
190.05006	3.2
196.07610	0.8
197.10684	0.6
198.09207	0.9
199.08597	0.6
199.12233	0.7
200.10719	1.7
201.10190	1.0
202.08641	0.8
202.10976	2.8
203.11761	5.0
204.06558	25.3
210.08955	0.5
213.10172	2.2
214.08646	10.3
214.10724	0.5
215.08220	4.1
216.08746	0.6
217.09647	1.2
223.08684	0.6
225.10295	1.1
226.11073	0.5
227.08081	0.7
227.11800	1.1
228.10277	3.7
228.25067	0.5
229.09700	2.6
230.10416	1.6
231.11299	5.2
237.10284	0.7
239.11795	0.9
241.09775	2.3
241.13298	0.6
242.08151	2.0
243.11320	1.7
245.09210	1.0
245.12717	1.0
246.09891	0.5
247.10812	1.9
253.09734	1.1
254.10413	0.7
255.11235	5.7
256.09705	3.2
257.09164	1.0
257.12918	1.6
258.10175	0.7
259.10773	73.1
260.11044	0.8
262.10922	0.9
265.09622	0.5
267.11185	1.4
269.13080	0.9
271.10718	1.3
273.12335	8.0
279.11273	1.0
283.10828	4.4
285.12357	1.7
287.10550	0.5
287.13889	1.2
295.10748	1.0
297.12198	1.8
299.10413	0.6
300.11127	0.7
301.11832	56.7
302.12064	0.7
303.13351	1.7
307.07010	0.5
307.10812	0.5
311.10168	0.7
313.11792	1.7
315.13486	1.3
317.11304	0.6
318.12079	0.6
319.12881	100.0
320.13226	1.5
321.12344	1.7
323.10205	1.4
325.11841	6.1
326.12463	0.5
327.13159	0.6
329.11243	0.7
331.12955	1.0
335.12469	3.8
336.13080	0.9
337.13934	29.4
339.09506	0.6
341.11459	1.0
343.12909	1.0
357.14514	4.4
359.15973	1.5
371.12405	0.8
373.14093	2.3
382.08026	0.4
395.65912	0.4
496.17001	0.6
536.20221	1.1
601.23102	0.6
625.22986	1.4
643.24341	2.4
657.25818	2.0
661.24939	1.4
675.26514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84414	2.0
53.03947	9.2
55.01872	22.0
55.05511	20.2
57.03192	3.3
57.03444	33.7
57.07062	2.1
61.02934	10.5
65.03939	5.7
67.05507	53.8
68.99763	2.6
69.03435	31.0
69.07072	47.4
70.06599	5.0
70.12846	4.2
70.13196	7.7
71.01357	7.7
71.05000	19.7
72.08154	2.2
73.02927	32.7
75.85310	2.4
78.45472	2.2
79.05496	58.5
80.18890	2.0
81.03423	99.3
81.07062	76.5
83.01347	3.1
83.04990	21.4
83.08617	19.9
85.02911	64.5
85.06543	5.9
86.09706	3.1
87.00837	21.1
91.05492	49.2
93.07050	54.8
94.06548	3.2
95.04970	27.8
95.08611	45.2
97.02896	33.3
97.06535	20.4
97.10184	6.5
97.72728	2.0
99.04456	10.6
99.08088	9.6
105.01865	15.1
105.04530	2.2
105.07037	29.4
107.04946	16.1
107.08611	40.8
109.02897	24.4
109.06529	13.4
109.10155	16.3
111.04443	7.2
111.08089	9.9
113.06030	2.1
113.09686	2.3
115.03929	4.8
117.07034	24.2
119.08580	27.4
121.06528	15.0
121.10130	19.0
122.09678	3.6
123.04357	2.5
123.08067	8.6
123.11687	5.1
125.09641	59.2
127.03934	35.6
127.07545	2.3
128.10695	4.5
129.01894	2.5
129.05466	2.4
129.06981	6.9
131.08568	20.6
133.04958	2.8
133.06491	4.2
133.10150	16.1
135.08083	21.2
135.11722	24.4
136.06168	2.6
137.05983	4.0
137.09633	13.8
139.11188	4.6
140.10716	9.6
142.07838	2.5
143.08554	4.4
145.04965	8.9
145.06525	5.1
145.10127	18.5
147.08018	7.2
147.11700	8.2
149.09674	16.5
149.13254	7.4
151.11182	6.2
153.09142	3.0
153.12758	6.4
157.10139	7.1
159.02939	3.6
159.08054	3.7
159.11736	7.5
161.09579	4.6
161.13235	4.3
163.07542	9.5
163.11183	20.2
163.14789	2.8
165.09143	11.2
165.12811	3.8
167.14352	3.3
169.10103	2.3
171.08063	2.2
173.09642	3.8
173.13330	4.6
175.07533	3.3
175.11270	5.4
177.12805	3.6
179.10648	3.7
181.08662	2.9
181.12187	3.4
184.07376	2.6
187.14862	3.1
189.03940	4.0
189.09250	2.4
189.11089	2.1
189.12712	2.6
191.10716	6.1
191.14267	3.1
193.12224	8.8
201.09242	2.3
209.11774	3.1
211.13297	3.7
213.03963	2.4
213.12900	2.3
215.10748	3.0
217.12344	3.8
223.06041	3.0
223.16827	2.4
227.12775	13.2
231.05080	8.3
233.11729	2.7
239.12785	43.5
247.13214	2.9
249.06050	2.4
255.12335	15.7
261.22147	12.0
263.23798	2.6
267.15918	15.2
279.23193	54.9
283.15454	21.9
285.16846	3.1
289.41910	2.2
291.23022	4.5
297.24313	26.0
303.23126	6.2
321.24258	13.8
335.36969	2.2
345.24451	3.0
347.21902	2.0
355.19034	11.4
359.25735	2.5
363.25287	7.7
365.23203	6.1
369.24365	5.2
373.20224	2.9
375.25336	4.2
381.26358	2.8
387.25067	11.3
405.26471	11.8
410.32813	10.1
411.27060	3.3
429.22757	16.8
447.23773	100.0
465.24942	7.0
489.25067	3.3
491.26563	2.6
497.27509	6.7
509.27289	8.4
513.49481	2.5
527.28448	9.0
694.40363	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	692.546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34510	2.2
55.05505	9.0
55.19860	2.6
55.29236	2.4
57.03438	3.3
57.07068	3.8
58.52129	2.5
60.97126	2.1
61.70946	2.2
67.05505	25.8
69.07064	7.2
71.05000	3.0
71.08632	15.6
75.07643	2.9
79.05499	27.8
81.03443	2.9
81.07060	32.0
83.04985	2.8
83.08621	6.0
86.09660	2.4
91.05495	17.5
93.07047	34.1
95.04942	6.4
95.08608	23.7
97.06521	4.9
97.10152	3.2
99.08077	9.3
105.07037	10.8
107.08611	22.9
109.10149	7.8
113.09621	3.2
117.06968	3.6
119.08566	7.1
121.10134	15.3
123.11658	3.3
131.08556	5.8
133.10141	10.7
135.11687	16.1
140.49605	2.5
145.10110	4.0
146.65717	2.3
149.13275	8.2
151.11211	5.5
161.13335	7.8
163.11107	3.0
179.14328	45.5
185.13235	3.1
187.14928	2.9
189.12787	2.6
225.42310	2.3
243.21034	7.8
261.22101	10.5
277.21667	36.8
317.24780	6.7
335.25824	47.0
351.25327	47.8
455.28122	2.5
583.62109	2.7
611.46680	100.0
612.46997	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43830	0.3
55.01862	0.4
63.02056	0.3
63.60450	0.3
65.03956	0.3
67.05475	0.5
67.98677	0.3
69.80145	1.1
70.06559	0.6
79.05484	0.6
84.04490	0.3
84.08152	0.4
87.03223	0.3
89.03888	0.4
91.05449	0.3
93.07038	0.5
94.06545	0.9
96.08127	1.5
97.02870	1.2
97.06506	0.9
98.20856	0.6
108.04469	0.5
108.08072	1.1
110.06035	1.2
110.09675	1.5
116.04234	0.3
116.05002	1.6
118.06577	0.4
120.08105	1.7
122.06052	3.5
123.06819	0.3
124.07599	3.2
128.43376	0.3
134.06047	0.6
136.07588	2.4
138.09137	1.9
144.04437	4.1
145.05241	0.4
146.05989	0.8
148.07544	1.0
148.98697	0.4
149.07115	0.7
150.05502	1.8
152.07074	2.6
158.09665	0.7
160.03931	0.7
160.07581	1.3
160.09946	0.5
162.05576	1.7
163.90062	0.3
164.07060	0.7
166.08669	2.7
170.09549	0.5
171.24866	0.3
172.03947	18.9
172.07518	0.6
173.10738	0.5
174.05580	0.4
174.09166	0.5
174.11447	0.4
175.08653	0.6
175.12296	0.9
184.07570	0.4
185.10744	0.5
186.09167	4.1
187.08655	1.1
188.07010	0.4
188.09386	0.8
190.04967	3.1
196.07582	0.9
198.09195	0.8
200.10733	1.8
201.10233	0.9
202.08838	0.6
202.10989	2.4
203.11789	6.6
204.06573	30.3
211.87097	0.3
212.09352	0.6
213.08447	0.3
213.10258	2.1
214.08655	11.1
214.10741	0.7
215.08182	5.1
216.08813	0.5
217.09727	1.1
225.10181	0.6
227.11606	1.5
228.10236	3.3
229.09674	1.5
230.10544	1.2
231.11299	5.9
237.10320	0.4
238.08745	0.5
240.08922	0.6
241.09741	2.3
242.08148	2.1
245.09137	0.9
245.12813	0.8
246.09912	0.5
247.10886	1.6
251.11850	0.5
255.11324	5.1
256.09702	3.3
257.09250	0.8
257.12854	1.4
258.09921	0.7
259.10800	80.6
260.11105	1.2
269.12817	0.5
271.10934	0.4
272.11649	0.5
273.12363	7.0
283.10818	3.4
284.08835	0.3
285.12689	0.4
287.13831	1.1
297.12268	0.7
301.11856	64.4
302.12064	1.2
315.13428	0.3
319.12903	100.0
320.13199	1.9
325.11874	5.5
329.11499	0.6
329.14935	0.4
335.12616	0.8
337.13962	28.6
338.14478	0.4
339.13486	0.3
343.12900	0.6
357.14584	4.7
373.14014	0.4
429.73114	0.3
486.16449	0.5
504.17447	0.7
510.18655	1.1
522.19202	0.5
643.24017	0.7
657.25592	1.3
661.24915	0.5
675.26532	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89495	0.9
53.03938	4.4
55.01865	3.3
55.05270	1.5
55.05511	18.9
57.03199	1.2
57.03440	17.0
60.59568	1.0
61.02910	4.1
65.03926	1.7
67.05507	28.7
68.85316	0.9
69.03440	7.5
69.07066	9.2
69.53644	6.1
70.06590	1.3
71.05000	6.1
73.02888	1.2
77.03931	1.0
79.05497	30.4
81.03421	94.4
81.06594	1.9
81.07056	35.3
83.04983	20.6
83.08623	32.1
84.08128	1.0
85.02909	30.2
85.06519	3.3
86.09702	1.7
91.03930	1.5
91.05485	40.4
93.06491	1.6
93.07047	25.6
93.22216	1.0
95.04376	2.0
95.04972	40.1
95.08610	14.2
97.02881	5.7
97.06525	6.6
97.10181	5.4
99.04486	1.0
99.08103	1.9
105.04521	1.1
105.07036	31.7
107.04311	1.2
107.04958	11.2
107.08582	12.9
109.02858	1.1
109.03582	1.0
109.06522	6.4
109.10126	4.1
109.63641	1.1
111.04460	4.6
111.08086	14.3
113.06014	3.1
115.05462	2.3
117.07018	2.5
119.04885	1.1
119.08591	28.4
121.06494	3.7
121.09320	1.5
121.10140	15.8
123.08044	4.5
123.11698	3.8
125.05993	1.1
125.09674	2.5
129.07018	14.2
131.08569	15.4
133.06470	4.4
133.10143	19.1
135.08054	2.0
135.11707	2.4
137.09645	5.0
142.07782	4.4
143.08516	1.2
145.06531	1.2
145.10091	3.8
147.08035	4.0
147.11697	21.6
149.09621	9.5
152.16518	0.9
157.10124	20.2
158.10556	1.3
163.11176	3.3
164.11362	1.1
165.12759	6.2
175.09778	1.7
175.11186	23.4
184.07303	1.4
193.12247	61.6
205.12303	1.0
211.13301	72.1
227.12794	1.6
234.52502	0.9
249.14848	2.0
258.79147	1.2
267.15918	52.6
273.15009	1.5
276.20349	1.4
283.15326	1.4
285.16974	76.3
286.17337	1.7
342.18158	1.1
349.23938	2.4
350.24112	6.8
367.22549	2.9
385.23557	3.0
403.24762	1.6
433.25638	1.5
441.26529	1.5
459.27435	50.0
463.23239	2.2
477.28513	49.2
495.29559	100.0
496.29822	3.4
639.32922	1.7
692.34955	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
53.03952	3.5
55.01880	3.0
55.05513	17.7
57.03440	14.8
59.05014	0.9
59.68418	0.6
59.76647	0.7
61.02933	4.7
65.03941	2.5
67.05509	30.9
69.03433	6.8
69.07076	9.0
70.06599	1.2
70.56925	2.4
71.04993	4.9
72.08131	0.7
73.02931	1.9
77.03915	0.7
79.05499	32.4
81.03422	91.6
81.07059	34.7
83.04989	24.1
83.08625	33.6
83.09136	1.4
85.02911	36.3
85.06557	2.9
85.20424	0.7
86.09724	0.8
87.04449	1.2
91.03971	1.4
91.05485	42.1
93.06480	1.5
93.07050	22.2
95.04974	34.8
95.08610	13.6
97.02901	6.5
97.06527	4.7
97.10185	4.8
99.04490	1.0
99.08102	2.5
105.04535	1.1
105.07034	29.0
107.04961	9.6
107.08602	9.4
109.06517	7.6
109.10154	3.0
111.04457	3.8
111.08085	13.4
113.06035	3.4
115.05476	2.4
117.07019	2.1
119.04946	1.7
119.08591	28.9
120.08954	0.8
121.06492	3.6
121.10149	13.0
121.10907	0.6
123.08078	3.7
123.11700	2.8
125.09662	2.1
127.03883	0.9
127.07555	1.2
128.06247	1.1
129.07002	15.2
131.08580	14.4
133.06519	3.2
133.10143	18.1
135.08066	0.9
136.07503	0.6
137.09613	2.7
142.07784	4.6
145.10107	3.7
147.08031	4.9
147.11699	23.0
149.09628	10.0
149.85356	0.7
151.11111	1.0
157.10133	21.3
163.11247	1.7
165.12776	5.1
175.11188	22.0
183.11674	0.8
193.12253	61.2
194.12488	0.9
211.13301	100.0
249.14774	1.4
267.15936	45.5
285.16971	100.0
286.17236	1.1
349.21832	1.0
367.22733	3.1
385.23898	4.5
403.24524	0.9
412.93970	0.8
433.25952	2.3
441.26331	1.5
459.27463	27.9
460.27689	0.8
477.28516	33.2
495.29581	89.6
496.29620	2.4
639.33508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01876	9.0
55.05518	33.1
56.06354	1.5
57.03431	18.0
57.07067	2.9
59.05000	4.1
61.02924	7.1
64.61583	1.4
65.03934	2.7
67.05509	100.0
69.03405	3.4
69.07068	20.9
69.79369	5.9
71.01349	2.3
71.04991	6.7
73.02911	6.6
73.99747	1.3
76.61897	1.2
79.05495	40.1
81.03427	17.5
81.07062	72.4
83.04991	11.3
83.08628	21.1
85.02906	19.4
85.06534	5.2
87.04443	5.7
91.03970	3.2
91.04920	1.6
91.05491	31.7
93.07053	44.3
95.04991	8.5
95.08612	20.6
97.02916	7.1
97.06538	11.3
97.10180	17.4
99.08117	1.6
103.03913	1.6
105.04535	1.8
105.07039	16.3
107.05005	3.1
107.08604	30.6
109.02898	1.6
109.06525	2.6
109.10164	49.7
111.04443	3.0
111.08096	8.1
117.07033	8.4
119.08604	12.3
121.06512	5.4
121.10156	11.0
123.08080	1.9
123.11729	4.3
125.06013	1.6
125.09628	15.7
129.05492	4.6
129.06973	2.9
131.08566	12.7
133.10135	11.3
135.08008	2.4
135.11723	11.7
137.09637	4.9
143.08603	1.4
143.10666	2.4
145.10103	6.0
147.07982	2.0
147.11699	5.3
149.09630	2.8
149.13292	13.0
151.11209	2.3
153.12733	4.7
155.10686	4.1
157.10132	2.7
159.11708	10.5
163.11215	9.1
165.12720	3.2
173.09605	2.7
173.10341	1.6
173.11743	15.3
175.11166	1.7
177.12718	6.1
181.12198	3.2
181.84430	1.3
185.11812	1.3
191.10672	3.2
193.12273	6.5
195.13799	15.7
199.13321	8.0
209.11720	9.4
211.13246	3.3
213.14870	3.0
227.12709	6.7
229.14365	50.3
239.16425	2.4
257.13754	2.3
267.15964	9.5
269.17493	59.3
275.20074	1.9
276.20471	1.8
283.15433	5.9
301.16519	20.1
393.26480	2.2
409.71933	1.4
411.27338	5.2
423.27423	38.3
431.27826	3.0
477.28366	3.8
495.29568	67.3
496.30289	1.8
513.30640	27.0
537.24396	1.8
668.20239	1.5
692.39020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56353	0.6
53.03944	1.7
55.01878	0.8
55.05511	5.3
57.03439	2.0
57.07064	1.0
61.02929	6.5
64.42911	0.6
67.05508	10.3
69.03440	3.9
69.07066	3.9
71.05005	0.9
71.08648	0.8
73.02905	3.9
76.79804	0.7
79.05505	6.3
81.03426	5.1
81.07063	8.4
83.05001	1.4
83.08621	2.3
85.02928	4.7
86.09707	2.5
91.03970	4.2
91.05476	4.4
93.07056	5.6
93.65631	0.8
95.04981	1.6
95.08606	6.2
97.02900	6.1
97.10167	1.7
98.98478	3.5
99.04448	1.2
101.02396	2.1
105.07035	2.9
107.04990	0.9
107.08591	3.1
109.10174	6.0
109.40767	0.7
111.04443	1.0
111.08108	0.9
117.07033	1.3
119.08605	2.4
121.10157	2.8
123.08051	0.9
123.11674	0.8
125.00013	1.6
127.03922	1.5
131.08586	1.8
133.10155	2.2
135.11713	3.1
141.54369	0.7
143.08522	0.8
145.10156	1.7
147.11726	1.0
152.05659	0.9
155.01097	0.9
163.11192	1.2
179.14494	0.7
184.07373	6.0
185.07750	2.0
186.07898	1.1
209.11768	1.9
212.14592	0.9
216.85075	0.8
227.12779	1.5
229.14441	1.1
229.18011	0.6
232.79100	0.6
243.08577	2.0
246.00107	0.7
265.14322	0.8
283.15375	0.8
291.19421	0.8
311.07440	0.6
311.25876	1.8
330.99905	0.7
335.25922	1.7
413.17831	5.4
501.35971	1.9
519.29327	7.7
519.37030	7.6
529.38928	1.2
691.40302	100.0
692.40546	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	690.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
56.05031	0.5
57.07063	0.2
57.92232	0.1
58.06625	0.4
59.07388	0.2
60.08170	5.8
66.79917	0.1
67.05506	0.4
67.40449	0.1
67.66363	0.2
69.07079	0.2
69.43598	0.6
69.44019	0.5
71.01131	0.1
71.07379	3.2
79.05471	0.2
81.07060	0.3
83.08624	0.2
86.09712	29.6
93.07056	0.4
95.08614	0.3
98.21627	0.1
98.98470	2.8
104.10757	2.3
125.00015	18.7
130.08733	0.2
145.10071	0.2
149.13214	0.1
178.30406	0.2
184.07353	100.0
185.07668	0.2
222.74786	0.2
260.31485	0.2
550.96106	0.2
557.27954	0.2
690.47101	10.4
691.47656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.90720	0.6
55.01878	1.0
55.05518	3.8
57.03431	2.2
61.02934	4.7
63.68278	0.6
65.41441	0.7
66.42765	0.6
67.05512	10.0
69.03448	3.7
69.07072	3.9
71.08646	0.7
71.52861	0.9
72.92396	0.6
73.02915	3.2
79.05508	4.8
80.42856	0.6
81.03441	2.9
81.07063	7.0
81.10873	0.6
83.04974	1.0
83.08628	2.3
85.02906	3.6
86.09694	0.6
91.03979	2.0
91.05502	3.2
93.07049	4.9
95.04988	1.7
95.08611	4.1
97.02896	4.8
97.06569	0.9
97.10194	1.2
98.98483	1.9
99.04417	0.9
101.02391	1.4
105.07051	2.2
107.04964	1.1
107.08578	1.7
109.02879	0.9
109.10169	8.1
111.08052	0.7
111.88287	0.6
117.07024	1.1
119.08588	2.7
121.10155	1.7
123.08058	0.7
123.11760	0.8
127.03937	1.0
131.08606	2.0
133.10155	1.8
135.11699	1.4
136.06323	1.5
145.10216	0.9
147.07924	0.6
147.11719	1.1
149.13438	0.7
152.05746	4.5
153.06075	0.8
155.10736	0.7
159.11662	0.7
163.11189	1.5
173.04515	0.6
173.09766	0.7
173.11783	1.3
173.13161	0.7
184.07382	2.6
195.09956	0.9
209.11713	1.1
227.12794	1.2
229.14413	0.9
243.08414	2.3
265.14291	0.7
283.15643	0.7
311.25946	1.8
335.25998	0.9
413.17810	7.9
501.35809	1.4
519.29297	3.4
519.36926	7.1
529.38904	1.2
599.66797	0.8
615.85901	0.7
657.46753	0.6
673.44104	0.9
691.40308	100.0
692.40857	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	690.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.01876	3.0
55.05513	9.1
57.03442	11.5
57.99891	1.1
59.04994	1.7
61.02923	2.1
66.92735	1.1
67.05509	31.0
69.03412	3.7
69.07076	14.1
69.48615	1.4
70.03741	1.3
71.01333	1.4
71.01916	2.5
71.04994	1.5
72.08157	1.2
79.05499	29.5
81.03424	8.2
81.07063	100.0
82.07376	1.2
83.04974	4.1
83.08620	5.5
85.02917	3.9
85.06529	2.2
86.09689	2.3
91.05482	17.7
93.07050	18.8
95.04964	4.4
95.08614	9.6
97.02887	2.7
97.06532	6.9
97.10155	4.1
99.04426	1.9
99.08100	5.6
105.07031	12.2
107.04945	4.3
107.08605	11.3
109.06509	5.4
109.10165	19.6
111.08122	2.7
117.07013	7.7
119.08597	11.0
121.10155	7.5
125.09635	2.8
127.07551	9.0
129.06970	2.9
131.08565	8.2
133.10136	9.1
135.08054	4.4
135.11690	4.7
137.09654	3.6
143.06981	2.9
143.08601	2.5
145.08606	5.1
145.10129	8.2
147.11714	5.6
149.02333	1.3
149.09573	7.7
149.13275	1.9
151.11237	1.8
155.10663	1.3
157.10158	2.7
159.11710	4.3
161.08163	1.6
161.09492	1.7
161.13275	1.8
163.11188	2.7
171.11595	1.7
172.26974	1.1
173.01137	1.1
173.04547	1.8
173.11693	4.7
173.13258	3.0
177.12778	1.3
184.07263	6.2
185.13197	1.8
187.14862	1.4
189.11227	2.0
199.09676	6.8
201.11230	44.7
201.16373	1.9
211.14847	1.7
227.12772	9.3
229.14243	15.1
231.17580	1.6
245.13699	1.4
247.16896	6.3
247.20590	1.4
255.15909	2.1
257.18970	2.3
269.17438	4.8
275.20157	10.1
321.20752	5.7
349.23788	9.6
355.21252	1.3
371.20703	2.7
381.22714	10.1
387.61374	1.2
395.24301	29.3
457.29846	6.9
475.30801	23.0
493.31711	7.3
520.03723	1.3
539.28619	1.7
696.26984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01871	4.7
55.05273	0.9
55.05511	13.6
57.03203	0.7
57.03444	8.0
59.05000	1.4
61.02919	4.0
65.03941	0.7
67.05507	14.8
69.03428	4.1
69.07065	5.3
70.06575	1.1
70.09380	1.5
70.09760	1.3
70.19440	0.6
71.01334	1.0
71.04996	3.9
73.02917	1.2
79.05492	20.0
81.03422	37.6
81.07056	21.8
83.01344	3.1
83.04988	10.1
83.08617	16.8
84.08173	1.1
85.02905	16.9
85.06538	1.3
86.06068	0.8
91.03943	1.7
91.05482	21.4
93.07041	19.2
95.04971	15.3
95.08614	9.2
97.02898	6.0
97.06538	3.9
97.10168	3.3
99.04465	1.9
99.08108	1.2
105.07035	13.6
107.04959	8.1
107.08591	11.1
109.02896	1.3
109.06525	5.2
109.10151	2.5
111.04422	3.8
111.08091	6.2
113.06027	1.3
115.05447	1.0
116.10709	1.8
117.07031	4.6
119.08586	12.8
119.18287	0.6
121.06500	2.6
121.10147	9.1
123.08064	4.3
123.11703	1.8
124.03957	0.7
125.09630	1.1
127.03893	1.1
129.07007	6.3
131.08568	7.8
133.06532	1.6
133.10143	6.6
135.08049	1.4
135.11703	6.6
137.09601	1.8
142.07753	1.6
145.04951	1.0
145.06523	0.9
145.10130	10.3
147.08080	2.0
147.11678	8.8
149.09631	3.0
151.11128	0.9
153.12833	1.4
157.10124	7.2
163.11180	14.7
165.12769	2.1
173.09584	1.6
175.11197	8.4
181.12234	2.3
191.10744	1.3
193.12241	23.3
207.62895	0.8
209.11772	2.9
211.13281	33.1
227.12752	4.3
249.14970	0.9
265.14273	1.1
267.15915	10.3
283.15393	46.5
284.15778	1.2
285.16949	31.8
296.56152	0.7
344.24539	0.8
357.07602	0.7
383.22122	2.2
401.23080	1.0
417.42645	0.7
430.24304	1.2
457.25748	3.4
475.26907	19.0
476.27490	0.7
493.27963	100.0
494.28412	1.4
528.31354	1.1
562.72662	0.7
592.29626	0.8
629.88525	0.8
690.36230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
67.05511	0.7
69.18034	2.7
69.18462	2.3
81.07069	0.6
85.10833	0.4
86.09730	2.4
89.06055	0.7
91.05473	0.5
97.06555	1.2
98.21452	1.3
118.69323	0.4
125.00034	1.2
169.80237	0.5
177.70137	0.5
184.07338	4.5
346.86890	0.5
388.62106	0.6
403.19147	0.9
415.19049	0.6
417.20868	1.0
431.18704	1.6
433.23950	1.9
442.17883	0.8
443.18338	0.8
444.19180	0.9
445.20297	3.0
455.18640	1.0
457.20004	0.6
459.21841	5.2
460.22598	2.7
461.23438	1.7
470.21442	0.8
471.22336	0.8
473.23865	1.0
483.22037	0.7
485.24814	0.6
499.25180	0.6
505.21970	0.7
513.22742	1.1
517.22552	1.1
519.23676	0.9
527.24719	2.4
533.25513	10.8
541.26263	0.9
543.28058	1.0
556.28625	1.1
557.21124	0.8
557.28839	2.1
593.27502	3.1
601.28943	1.9
617.23889	1.2
629.31134	12.8
629.40704	1.0
645.27429	0.8
689.33362	100.0
690.33392	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	687.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03434	0.4
57.07068	0.6
64.45406	0.3
67.05509	4.5
69.07061	0.8
69.25332	3.5
70.80784	0.3
71.08611	0.5
79.05509	1.6
80.72303	0.3
81.07057	4.1
83.08617	0.7
91.05482	0.7
93.07079	2.2
93.87610	0.3
95.04990	0.4
95.08600	3.0
97.06528	0.3
103.48673	0.3
105.07048	0.8
107.08610	0.8
109.10181	1.0
119.08580	0.6
121.10169	1.0
131.08600	0.7
135.11684	0.8
141.18602	0.4
147.11708	0.5
149.13297	0.6
221.11635	0.4
335.21948	6.8
375.25119	1.0
391.24612	3.6
687.48041	100.0
688.48383	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01871	1.8
65.03949	2.1
65.95103	0.5
67.05515	1.6
69.03435	0.7
69.40440	3.3
70.06602	2.5
71.04979	0.4
72.08157	1.6
77.03919	0.8
79.05493	1.6
81.03419	2.7
81.07085	0.7
82.04187	0.5
84.08159	1.3
85.02916	2.8
85.99126	0.4
86.09715	1.3
91.05491	7.0
93.07059	1.1
94.04211	1.3
95.01302	0.5
95.04986	2.7
95.08652	0.8
97.02908	0.8
97.06533	1.3
103.05471	16.9
105.03407	1.0
105.04532	0.5
105.07043	2.5
106.04198	1.0
107.04973	2.9
107.08617	0.6
108.02090	1.0
109.02876	0.5
109.06521	1.5
109.10217	0.4
109.61639	0.5
111.04430	0.9
115.05465	3.8
117.07006	3.0
118.04153	3.5
119.04947	6.9
119.08602	0.9
120.08125	0.9
121.02844	0.5
121.06524	3.3
122.03650	4.0
123.04453	1.9
124.05234	1.0
125.06016	1.9
128.06265	0.7
129.07014	1.6
129.10219	0.9
130.04126	0.8
131.04936	30.6
132.05730	0.5
133.02924	2.4
133.06487	3.7
134.03662	0.7
135.04364	0.5
135.08084	1.4
136.05208	0.5
136.07590	0.5
137.05984	64.8
138.03156	0.6
139.52176	0.4
141.05464	0.9
143.04932	1.5
144.05736	0.7
145.02863	0.7
145.06483	4.0
146.03656	1.3
147.04417	8.4
147.08061	1.3
148.05200	9.3
149.00555	1.2
149.06001	1.7
150.01396	0.6
151.03917	81.8
151.05006	5.9
151.07454	2.2
152.04439	0.5
153.05499	2.3
157.06474	1.2
159.08026	0.8
160.05252	1.6
161.00655	0.6
161.05997	2.9
162.06807	1.2
163.03845	0.6
163.07553	22.3
164.04643	0.6
165.05515	2.8
165.07928	0.5
165.09158	1.0
167.07042	8.3
169.06194	0.5
171.04404	1.1
173.06012	3.9
175.07565	6.2
176.04669	1.5
177.05495	2.9
177.09151	1.4
178.00766	2.4
178.06282	0.5
179.07069	3.9
181.04959	16.5
181.06537	1.0
186.05528	0.6
187.07515	2.7
189.05580	1.0
189.07033	0.6
189.09109	1.8
191.07039	100.0
192.07491	0.6
193.03214	14.3
193.04919	1.3
193.08607	1.7
195.06532	1.6
199.07574	0.8
201.05450	1.7
202.05998	0.5
203.07030	4.0
205.06676	0.7
205.08643	2.8
207.08144	1.0
207.10017	0.8
209.08080	3.9
211.07648	0.9
217.06589	0.5
217.08583	1.2
218.07524	0.7
219.10185	1.9
221.08083	0.6
223.09718	1.3
231.06548	0.9
233.08055	3.0
234.06734	0.8
235.07550	1.4
235.09663	3.5
237.09074	1.7
239.07040	0.6
241.08565	0.7
245.08020	0.6
246.95294	0.5
249.09184	1.5
259.09598	0.7
262.06189	0.6
263.09171	20.3
265.08545	2.4
267.10168	1.1
277.08545	2.0
279.06781	0.7
279.10144	0.9
280.01385	0.5
281.11615	0.6
282.07858	2.3
283.09579	0.7
293.08102	1.4
294.08588	0.7
295.09644	1.9
297.11285	1.5
299.12610	0.8
300.09012	1.0
307.09573	1.1
309.11230	1.6
321.07510	0.7
323.09445	0.6
325.10797	2.0
327.12201	3.5
329.13870	1.3
335.55875	0.5
337.10693	1.7
339.12161	0.8
341.13739	1.0
351.12219	1.7
355.11795	10.3
357.13397	2.0
359.14877	1.6
369.13397	5.5
369.67676	0.5
387.14398	43.8
388.14581	0.6
412.15799	0.5
517.18927	2.4
549.20844	1.2
688.31049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42873	0.6
51.02383	0.5
53.03935	0.6
55.01879	1.0
55.92709	0.4
57.03449	0.6
65.03944	2.2
67.05522	1.8
69.03446	0.7
70.06600	3.9
71.02368	0.4
71.06969	0.4
71.52503	0.7
75.04496	0.6
76.02222	0.5
77.03948	0.6
78.04756	0.6
79.05514	1.9
81.03429	1.6
81.07067	1.1
84.08135	1.3
85.02926	2.2
86.09719	1.0
91.05486	7.5
93.03439	0.7
93.07050	2.0
94.04206	2.0
95.04982	2.5
97.02877	0.6
97.06549	0.6
103.05479	18.4
105.03405	1.0
105.07043	3.1
107.04964	3.5
107.08606	0.6
108.02114	1.0
109.06516	1.5
109.58895	0.5
111.04485	0.8
115.05439	3.4
117.07032	2.7
118.04164	3.4
119.04960	8.9
119.08612	0.7
120.08096	0.8
121.06522	10.2
122.03669	5.1
123.04404	2.3
125.06012	2.1
128.06235	0.7
129.07018	1.1
130.04164	0.7
131.04939	29.3
133.02866	1.9
133.06508	4.1
134.03612	0.9
135.04465	0.6
135.08060	1.8
136.05174	0.6
137.05988	72.1
138.09171	1.4
141.05469	0.9
143.04941	2.0
144.05714	0.7
145.06464	3.9
146.03661	1.0
146.06024	0.7
147.04430	8.8
147.08028	0.8
148.05193	7.8
149.00575	1.5
149.05986	1.8
150.01392	0.6
151.03920	79.1
151.04990	4.7
151.07558	2.1
152.04468	0.5
153.05461	2.5
157.06474	1.7
159.04335	0.6
159.08096	1.0
160.05235	2.8
161.00595	0.7
161.05969	3.9
162.05544	0.9
162.06796	1.3
163.07558	20.2
165.05484	3.5
165.09058	0.6
167.07051	8.9
171.04433	1.2
173.06006	5.1
174.06705	0.6
175.07555	7.1
176.04721	1.6
177.05498	2.3
177.07901	0.8
177.09213	1.0
178.00883	2.1
179.07066	5.3
179.08530	0.9
180.70644	0.5
181.03400	0.6
181.04961	16.6
187.07567	4.2
189.05464	1.1
189.07043	0.5
189.09126	1.7
190.06302	0.9
191.07043	100.0
192.07579	0.6
193.03217	15.9
193.04904	1.0
193.08672	1.9
195.06567	1.4
199.07544	0.8
201.05365	5.7
203.07018	4.2
204.07806	0.6
205.06490	1.5
205.08611	2.8
207.08171	0.9
207.10054	1.2
209.08080	3.5
211.07523	0.8
217.06624	0.8
217.08659	1.2
219.08124	1.1
219.10240	1.8
221.08076	0.7
222.06885	0.5
223.07538	0.6
223.09657	1.4
231.06584	1.6
233.07964	3.7
234.06708	1.5
235.07549	1.2
235.09689	3.1
237.09096	2.1
239.10617	0.8
245.08154	1.2
247.07518	1.0
249.09157	2.3
257.08020	0.5
259.09756	0.7
263.09167	20.1
265.08588	2.1
267.10226	1.4
277.08572	3.3
278.09213	0.5
279.10226	0.8
282.08090	2.2
283.09723	1.0
291.06610	1.3
291.09946	0.5
293.08075	1.2
294.08765	0.8
295.09683	2.3
296.10431	0.8
297.11053	0.6
299.12766	0.9
300.08929	0.7
305.07996	0.8
307.09656	1.1
309.11087	2.4
319.19998	0.6
323.09222	1.0
325.10666	1.7
327.12201	4.1
329.13837	1.6
337.10727	2.4
338.13803	0.6
339.12231	1.3
341.13513	0.9
351.12308	1.5
353.10135	1.1
355.11737	10.7
357.13281	2.5
359.14996	1.2
369.13428	5.2
387.14429	44.7
460.17514	2.8
516.19604	1.0
517.18585	2.5
534.21204	1.2
549.20880	1.0
551.18652	1.4
670.25665	1.8
688.27557	1.0
688.33331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01865	0.6
55.05513	10.8
55.50248	0.7
57.03439	12.2
57.07087	1.4
59.05005	3.6
61.02931	4.9
62.80565	0.6
65.03935	2.1
67.05505	95.0
69.03410	1.5
69.07070	7.9
69.66981	4.0
71.05009	3.4
72.76355	0.6
73.02943	0.8
73.09727	0.6
79.05495	18.6
81.07059	33.6
83.08613	7.7
85.02898	3.1
85.06533	3.3
91.03954	1.3
91.05482	11.6
93.07047	24.7
95.04988	1.5
95.08607	25.4
97.02882	2.1
97.06556	1.0
97.10173	1.7
98.21568	0.7
105.07037	7.2
107.08598	14.1
109.10160	79.5
111.08072	2.5
117.07002	2.4
119.08588	10.5
121.10151	12.1
123.08082	0.8
123.11715	3.6
125.09620	1.3
127.03938	0.9
131.08540	3.8
133.10144	5.3
133.61821	0.6
135.11682	7.6
137.09604	2.9
137.13229	1.2
139.11169	0.6
145.10129	3.2
147.11682	4.1
149.13246	4.4
155.10689	9.0
159.11723	3.3
161.13264	2.4
163.05917	0.6
163.14812	2.3
173.11736	19.1
173.13235	3.8
177.16290	0.8
187.14786	1.6
189.11235	1.0
201.16371	1.1
207.99698	0.7
227.12785	5.5
229.14345	100.0
230.14606	1.6
243.21053	4.0
245.22453	0.7
261.22144	17.5
311.27200	0.8
317.24646	2.9
335.25797	70.6
336.26163	0.9
415.32080	1.2
471.34708	1.1
489.35760	44.0
490.35516	0.7
507.36804	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01875	1.0
55.05516	12.5
57.03162	0.6
57.03439	13.1
57.07077	1.7
59.05001	4.2
61.02927	4.8
65.03945	1.9
65.11452	0.7
67.05508	100.0
68.05828	0.7
69.03425	0.9
69.07071	8.4
69.66868	1.2
69.67279	2.4
71.04994	3.4
71.08629	0.8
72.89665	0.6
73.02921	1.3
79.05498	20.6
81.03421	1.6
81.07059	37.7
83.05019	1.1
83.08618	9.4
85.02908	4.3
85.06580	3.1
91.03970	1.3
91.05488	13.6
93.07048	25.1
95.04986	1.5
95.08613	27.5
97.02912	2.3
97.06532	1.2
97.10193	2.3
98.20722	0.7
99.08128	1.3
100.11269	1.5
105.07040	7.5
107.08596	15.6
109.10160	71.3
111.08107	3.1
112.85754	0.6
117.07036	2.9
119.08582	12.2
121.10149	10.6
123.11723	3.2
125.09628	1.6
131.08560	5.1
131.09406	0.6
133.10129	6.7
135.11687	5.8
137.09651	4.4
137.13275	1.5
141.32971	0.6
145.10130	4.5
147.10706	0.7
147.11682	3.7
149.13281	4.3
155.10664	9.3
159.11769	2.8
161.13295	2.1
163.14902	2.8
173.11794	15.5
173.13306	3.1
175.14842	0.7
187.14815	1.5
227.12724	3.6
229.14357	79.3
230.14563	1.0
243.21115	4.6
261.22147	16.7
317.24930	1.8
317.33429	0.6
335.25806	66.4
336.26257	0.7
373.18878	0.7
380.47614	0.7
388.36481	0.7
397.31039	0.9
415.32388	1.3
416.08313	0.7
471.34918	1.4
489.35757	55.8
490.36270	1.3
507.36884	3.1
686.50537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22236	6.5
51.68422	7.1
55.05511	19.7
57.03440	15.6
57.07075	16.2
62.41735	7.7
65.72580	7.5
67.05511	84.1
69.07061	18.4
71.05004	7.5
71.08646	7.5
79.05489	61.8
81.03419	10.5
81.07064	73.4
83.08629	13.3
91.05479	47.9
93.07043	53.9
95.05015	9.7
95.08627	36.2
97.06548	8.8
99.08080	7.9
101.81316	6.7
104.57298	7.5
105.07040	29.8
107.04940	9.0
107.08600	30.6
109.10168	62.8
117.07052	7.2
119.08572	20.0
121.10181	31.6
123.11705	9.9
131.08542	16.4
133.10138	23.1
135.11697	15.3
137.09648	8.0
145.10115	20.1
147.11685	16.7
149.09622	7.8
149.13286	8.1
149.94359	7.5
159.11736	11.9
161.13217	9.0
163.03979	9.6
171.11630	11.3
173.11790	11.7
173.13260	8.0
184.07504	10.3
187.03949	8.1
213.05530	7.1
215.17972	20.0
227.12842	10.5
228.31720	9.0
229.14357	100.0
233.19035	33.8
285.21863	7.4
307.22687	93.5
313.27618	8.7
314.27609	12.6
355.15405	8.9
356.15936	8.4
397.30896	10.5
424.23996	9.0
430.19580	10.4
461.32651	53.0
471.34906	20.5
489.35791	39.7
686.43408	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09286	0.4
60.86531	0.5
66.15084	0.4
67.05508	1.8
68.05053	0.5
69.19987	4.4
69.20368	0.8
70.06599	100.0
71.06926	0.4
79.19951	0.4
82.06571	0.8
84.08151	25.3
87.21636	0.4
91.05499	5.6
91.06033	0.7
93.07056	1.7
94.06578	1.0
95.04966	0.4
95.07377	0.5
96.08146	1.3
98.06062	2.9
103.05468	5.9
105.07022	0.8
108.08110	0.7
109.07664	0.5
112.07624	0.8
115.08784	0.5
120.08116	79.2
121.08482	0.5
122.09692	1.5
123.04428	0.7
124.08727	0.9
126.05520	0.9
130.06578	1.5
130.08647	2.0
131.04956	0.7
131.88626	0.4
132.08139	0.6
136.07608	1.4
136.11218	2.5
137.07137	2.7
148.11197	0.7
152.08224	6.7
163.12372	0.5
165.05531	1.9
165.13829	1.0
170.09668	0.5
172.11209	0.9
181.13390	1.4
182.08151	0.9
184.11354	0.8
185.09677	0.8
186.12811	6.2
187.12192	1.0
189.09142	1.4
199.12352	1.1
202.12283	2.3
209.12958	0.6
215.11792	1.1
217.13402	10.5
217.15540	0.6
219.14932	2.7
227.11812	2.0
231.10114	0.9
243.13680	1.2
244.14548	1.3
245.12859	7.3
247.14627	0.6
248.12843	3.2
256.75146	0.4
265.15506	14.3
270.15942	0.6
272.16534	1.0
275.13904	0.7
293.14954	0.8
310.19217	1.0
311.15738	0.6
316.20367	0.9
317.18582	1.9
321.14560	1.9
321.19690	0.5
331.18271	0.4
338.18710	1.5
362.20767	6.7
367.20239	4.9
372.18961	0.7
390.20438	1.1
394.21420	0.6
395.19669	20.5
412.22385	1.9
422.20639	0.7
423.18948	0.9
440.21906	6.7
450.20267	0.9
464.25620	1.9
468.21271	5.9
473.25473	1.6
474.23749	0.7
491.26782	2.4
492.24857	2.3
509.27850	3.8
519.25964	3.5
537.27173	20.5
568.38605	0.5
639.31653	0.8
649.30402	0.5
656.34167	1.6
666.32898	10.8
684.33954	81.6
685.34222	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01866	4.3
55.05514	14.2
57.03196	1.3
57.03440	14.6
57.07078	2.9
61.02915	3.6
67.05509	53.1
69.03396	1.3
69.07075	14.2
69.16040	4.1
69.16467	6.3
71.01350	2.3
71.04988	4.3
71.08614	1.5
72.08144	3.0
72.97983	1.0
74.09718	6.0
75.86633	0.9
77.03897	1.4
79.05499	58.7
81.03406	3.0
81.07060	42.6
83.04981	11.3
83.08625	8.2
85.02905	3.6
85.03407	1.0
85.06539	5.1
85.29027	1.0
91.03939	1.2
91.05482	24.3
93.07051	68.0
95.04977	6.1
95.08614	24.3
97.02897	1.2
97.06544	10.5
97.10182	7.8
99.08084	3.7
105.04508	1.8
105.07047	14.2
107.04967	2.4
107.08599	33.2
109.06513	1.6
109.10162	13.8
111.08079	3.9
117.07002	6.5
119.08585	10.4
121.06503	1.6
121.10162	24.4
123.11691	4.3
125.09628	2.7
129.07071	1.2
130.07698	1.8
131.08575	9.6
133.10155	11.6
135.08002	1.4
135.11696	46.9
137.09584	2.3
143.08528	1.5
145.10141	12.6
147.11725	6.4
149.09601	2.0
149.13277	6.3
153.12740	4.2
159.11685	6.4
161.13242	1.4
163.11194	5.3
171.11671	1.1
173.11987	1.3
173.13191	5.6
175.14845	1.5
181.12248	10.3
197.28722	1.1
199.13252	1.2
215.17928	14.5
227.12711	1.1
229.14325	1.0
233.19031	15.8
253.14224	1.7
255.15927	63.9
307.22684	53.4
308.23105	2.0
395.29532	2.8
487.34207	100.0
488.34607	2.7
505.35120	3.4
507.34152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4483
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
52.55990	0.6
55.05521	3.4
57.03452	0.9
57.07071	1.6
65.03964	0.5
67.05510	5.8
69.07070	2.2
71.04996	0.8
71.08635	1.7
71.53669	1.0
79.05503	4.2
81.03423	1.4
81.07061	6.0
83.08633	2.0
91.05466	3.2
93.07045	3.5
95.04949	0.8
95.08594	3.5
96.08936	0.6
97.06553	0.9
97.10178	0.8
99.08100	0.7
99.70414	0.5
102.30598	0.7
105.07043	2.8
107.04967	0.8
107.08600	1.5
107.40188	0.6
109.10169	1.8
113.00035	0.9
117.07000	1.0
119.08621	2.0
121.10165	1.9
123.11699	0.8
131.08606	1.3
133.10143	2.1
135.11731	1.3
147.11685	1.0
149.13248	0.5
151.11198	0.7
159.11742	0.9
161.13284	0.7
163.11235	0.8
171.11702	0.6
278.22055	0.7
281.29016	0.5
313.27396	0.9
315.19440	0.6
317.20944	5.2
333.20499	2.6
336.95508	0.6
373.23395	2.7
389.23062	3.2
447.19931	0.6
571.47357	3.3
630.47815	1.0
683.44952	100.0
684.45496	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	683.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64409	1.2
53.03943	3.3
55.01876	1.8
55.05515	9.7
55.32981	1.0
57.03445	1.8
57.07071	4.9
65.03971	1.3
67.05510	26.4
69.06734	1.3
69.07079	11.7
71.04994	1.1
71.08654	5.9
71.44335	1.5
73.69890	1.0
79.05503	19.1
81.07060	31.6
83.04960	2.1
83.08638	6.0
83.90571	1.1
85.06544	1.3
85.10189	2.0
85.71098	1.1
85.88796	1.0
91.05478	15.0
93.07055	22.2
95.04984	2.0
95.08613	24.3
95.77007	1.0
97.06557	2.9
97.10191	2.4
99.63795	1.3
105.07030	12.7
107.05042	1.6
107.08595	15.1
109.06528	12.9
109.10153	8.1
111.08117	2.4
117.07050	3.5
119.08580	11.3
121.10167	9.9
123.08070	17.8
123.11727	2.2
126.94810	1.0
128.06187	1.2
129.07022	2.8
131.08574	8.7
133.10162	7.3
135.08057	17.8
135.11714	4.9
137.09596	1.8
143.08623	2.7
145.10109	9.3
147.11703	5.7
149.09644	3.1
149.13315	3.4
151.11195	1.1
157.10168	3.3
159.11752	4.4
161.09683	3.6
161.13365	2.0
163.11241	2.0
163.14853	1.4
167.14354	2.9
171.11696	2.3
173.13324	2.5
175.14874	1.9
177.12830	4.9
179.14322	69.0
185.13187	1.8
191.14333	2.9
193.15918	1.8
203.14394	2.2
205.15907	10.1
219.13872	1.5
241.19585	2.1
249.22159	2.3
259.20694	3.7
261.22290	1.7
275.19937	2.5
303.26846	2.0
329.24741	11.6
331.26337	37.2
331.30099	2.4
333.24384	2.2
333.28003	11.2
335.25940	4.6
337.27368	1.6
344.46774	1.1
347.49579	1.2
405.30124	3.7
407.31943	2.5
410.62616	1.3
503.37250	2.1
505.39069	2.1
517.39142	3.8
571.47174	2.5
585.45325	2.7
612.49225	1.3
683.52502	100.0
684.52936	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	682.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.6
55.05512	39.3
57.03431	8.1
57.07066	11.4
67.05510	87.3
69.07069	27.0
70.06572	3.4
71.05006	4.4
71.08620	14.6
71.52727	3.7
79.05084	4.1
79.05499	59.3
81.03411	4.8
81.07063	100.0
82.07390	3.3
83.04970	11.2
83.08620	27.3
85.06536	5.3
87.56046	3.0
91.04969	6.3
91.05479	51.4
93.07046	75.8
95.04958	9.1
95.08613	57.9
97.06515	9.2
97.10184	17.2
99.08065	10.0
101.83845	4.1
105.07046	38.2
107.04951	4.2
107.08580	40.1
109.06548	7.2
109.10172	23.7
117.07014	13.4
119.08583	27.1
121.06566	3.7
121.10136	31.0
123.08080	4.5
123.11726	9.0
125.09571	7.5
129.07033	5.1
131.08585	33.4
133.10133	21.9
135.11739	19.9
143.08575	14.5
145.10164	21.0
147.11708	14.1
149.13292	17.6
151.11217	6.5
155.08539	4.3
157.10129	12.4
159.11687	13.5
160.50882	3.1
161.13260	16.5
163.14748	5.5
169.10121	7.5
171.11705	10.6
173.11818	4.3
173.13260	10.2
175.14835	7.3
177.12723	3.2
179.14252	4.1
183.11731	4.8
187.14842	7.7
189.11134	3.6
195.13705	3.8
199.14789	3.9
201.16293	4.2
211.14882	4.2
213.16502	4.2
227.12749	8.7
229.14435	4.0
233.22581	4.1
236.10399	3.6
240.05379	3.4
241.37918	3.3
243.21106	8.0
259.20709	5.3
261.22147	9.9
267.16010	5.5
268.33765	3.2
269.17441	20.7
277.21616	11.2
317.24734	5.1
335.25803	26.6
351.25351	10.1
352.25681	4.6
437.05054	3.4
437.33746	9.1
455.35266	4.5
473.36057	4.3
515.37610	18.1
529.38959	79.4
537.43573	4.4
611.46960	24.3
629.47681	32.5
682.42761	5.1
683.44482	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	682.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
51.20996	1.9
51.78538	1.7
53.03943	7.7
55.01870	5.6
55.05244	2.0
55.05512	36.9
57.03445	12.7
57.07076	10.5
65.03946	5.1
67.05509	100.0
69.03444	2.3
69.07072	31.1
69.58662	3.9
69.59074	7.7
71.04982	4.1
71.08633	9.4
73.99318	2.0
79.05498	69.2
81.03416	3.3
81.07058	96.4
83.05009	9.4
83.08621	23.3
85.06548	5.6
85.10192	3.4
91.05489	55.1
93.07051	84.0
93.07653	4.1
94.45664	1.8
95.04981	7.9
95.08612	69.1
96.82390	1.7
97.06531	10.3
97.10176	7.9
99.08113	7.7
105.04551	2.7
105.07039	47.7
107.08602	42.1
109.06522	6.1
109.10166	24.4
111.08066	4.5
111.11772	2.0
113.09666	3.7
117.07020	20.4
119.08586	29.8
121.06519	5.1
121.09455	2.3
121.10165	25.3
123.08086	2.7
123.11704	8.7
125.09694	5.2
128.06227	2.6
129.06985	12.0
131.08568	33.9
133.10144	23.8
134.10252	1.9
135.08064	2.7
135.11697	19.3
137.09615	2.3
139.11221	3.3
141.07028	4.1
143.08588	13.5
145.10126	23.8
147.11696	18.6
149.09671	4.5
149.13255	12.6
151.11179	6.4
155.08574	7.1
157.10170	10.4
159.11711	15.7
161.13191	10.6
163.11215	4.3
163.14822	6.9
167.08582	3.0
169.10168	7.2
171.10323	2.1
171.11685	7.7
173.11943	1.9
173.13266	10.6
175.14851	7.1
177.12698	2.6
179.14320	4.2
183.11702	4.9
185.13237	6.7
187.14847	8.8
189.16386	3.2
191.17987	2.0
195.11818	4.3
195.13768	4.1
197.13260	5.9
199.14833	7.9
201.16496	5.0
211.14890	3.1
213.16440	5.6
225.16368	2.7
227.12619	4.6
227.17995	3.9
229.14264	3.1
237.16295	2.2
241.19591	4.2
243.21140	8.5
259.20328	2.5
261.22137	12.6
267.16000	3.6
269.17371	12.9
277.21735	6.0
317.24756	4.5
335.25781	30.7
345.31332	2.3
351.25351	7.8
369.26315	3.2
387.95474	2.0
403.28021	2.2
419.32858	2.8
437.34290	9.0
455.34683	3.7
473.36075	4.0
477.36609	3.4
489.36032	2.5
491.37238	2.9
499.36871	3.1
503.37021	2.9
511.37769	3.9
515.37506	11.4
517.39026	5.7
519.42029	3.4
527.37207	9.6
529.38904	96.9
537.42944	3.6
547.39752	6.2
555.43677	5.0
581.00317	2.1
611.46710	28.4
629.47644	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	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01864	2.7
55.05515	17.3
57.03432	5.4
57.07061	2.9
65.03929	2.6
67.05508	47.8
69.07065	14.3
69.21105	4.1
69.21529	6.9
69.49769	1.1
71.05000	3.7
71.08633	32.3
74.03837	1.1
74.96468	1.1
79.05499	44.7
81.03417	6.9
81.07059	58.2
83.04980	8.0
83.08620	11.6
85.06552	2.4
90.22340	1.3
91.05482	29.1
93.07048	60.3
95.04968	9.3
95.08608	30.6
97.06533	10.2
97.10191	4.1
99.08096	23.4
105.04536	1.2
105.07036	18.8
107.04984	5.6
107.08595	30.2
109.06514	4.5
109.10172	11.1
111.08108	3.5
113.09667	2.0
115.07497	1.1
117.07004	5.4
119.08592	15.2
121.06518	2.4
121.10143	21.1
121.10947	2.1
123.08072	2.0
123.11732	2.8
125.09647	1.9
129.07053	3.3
131.08545	6.1
133.10144	16.4
135.08110	1.3
135.11699	24.5
137.09650	1.9
141.09085	3.4
141.37190	1.1
143.08549	1.9
145.10136	4.5
147.11696	6.1
149.09659	1.5
149.13281	12.1
151.11185	14.7
157.10074	2.5
159.11696	6.0
161.09641	1.3
161.13266	9.6
163.11182	7.4
163.14870	2.2
165.12744	2.1
167.10703	2.7
171.11736	3.0
173.11771	1.5
175.14822	1.5
177.12787	3.6
179.14311	65.5
185.13283	2.1
187.53185	1.2
189.12773	1.6
195.13811	5.7
221.15309	3.3
227.12726	1.3
235.17038	2.1
241.19600	1.8
251.16362	2.4
259.20599	6.0
269.17493	32.9
275.20090	1.4
277.21634	53.8
293.21094	2.8
295.22681	4.1
316.07016	1.3
333.24164	2.3
351.25308	32.9
369.26392	3.0
505.35666	2.1
529.39209	1.6
545.38379	100.0
546.38251	2.8
568.43896	1.3
627.46149	22.1
636.00671	1.3
645.47284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01883	2.7
55.05267	3.4
55.05514	33.2
56.95932	1.8
57.03444	10.9
57.04715	2.1
57.07059	8.3
57.24606	1.7
65.03928	5.0
67.05511	100.0
69.03420	3.8
69.07069	22.7
69.59114	10.2
71.04987	3.4
71.08636	11.9
79.05498	53.8
81.03416	4.6
81.07063	77.8
83.04978	5.5
83.08623	19.3
85.06538	4.3
91.05488	35.1
93.07048	68.4
95.04954	8.6
95.08066	3.6
95.08617	45.3
97.06517	6.1
97.10168	11.4
98.20853	4.1
99.08102	5.7
105.07033	34.5
107.04939	2.9
107.08601	35.5
109.06506	3.4
109.10153	24.7
111.08066	5.7
115.05478	3.0
117.07057	13.3
119.08591	24.8
121.06534	2.1
121.09482	2.4
121.10177	24.3
123.08066	3.1
123.11692	9.7
125.09620	11.1
129.06998	8.1
131.08585	26.5
133.10139	16.8
135.11711	15.9
137.09584	2.6
137.13275	2.6
141.06998	2.8
143.08525	7.0
145.10117	19.8
147.11688	12.1
149.13271	13.6
151.11172	6.8
155.08507	3.9
157.10112	7.2
159.11713	11.8
161.13257	11.0
163.11140	3.2
163.14763	2.8
165.12791	2.4
169.10104	3.7
171.11734	6.1
173.11838	3.1
173.13261	8.8
175.14854	5.7
177.12723	2.9
183.11719	4.8
185.13284	4.5
187.14864	5.5
189.11182	3.3
191.14191	1.9
191.75667	2.2
195.11726	3.3
195.13748	2.9
196.12440	2.2
196.79243	2.2
197.13254	2.3
199.14856	5.0
201.16467	2.4
211.14883	2.6
213.16470	3.8
221.15211	1.9
225.16318	3.5
227.12827	10.2
229.14392	9.3
243.21124	5.5
261.22073	6.5
267.15854	2.6
269.17407	8.1
277.21701	8.6
287.23776	2.5
317.24588	3.5
335.25848	29.8
351.25296	10.3
419.33163	2.6
423.32208	3.2
433.33206	3.1
437.34061	5.9
455.35403	2.6
489.35718	2.8
515.37415	13.7
519.42371	2.9
529.38898	60.4
537.42700	4.1
547.39575	4.1
555.44275	3.7
587.90820	2.3
604.15796	2.1
611.46753	21.9
629.47852	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58844	1.5
53.03936	4.1
55.01860	3.4
55.05269	2.1
55.05513	19.0
57.03436	6.5
57.07079	3.2
57.36500	1.2
67.05507	53.2
69.07073	15.8
69.21055	11.9
71.04993	2.1
71.08635	44.6
79.05497	52.5
81.03401	3.9
81.07061	61.9
83.04974	10.2
83.08624	10.4
85.06554	2.7
85.47797	1.3
91.05483	33.5
93.07047	63.7
93.07641	3.5
95.04973	9.5
95.08611	38.7
97.06538	11.1
97.10151	3.8
99.07500	2.1
99.08095	26.6
105.04479	1.5
105.07037	25.5
107.04963	7.7
107.07883	2.1
107.08601	36.5
109.06540	3.5
109.10172	7.8
111.08070	4.2
113.09641	3.9
117.07021	7.8
119.08597	19.3
121.06490	3.2
121.10151	24.3
123.08092	3.0
123.11697	2.5
125.09603	1.6
128.06216	1.4
129.07074	2.6
129.47824	1.5
131.08578	8.5
133.10132	16.7
135.11691	28.8
139.11172	1.7
141.09103	3.3
143.08568	2.5
145.10124	7.5
147.11650	7.0
149.09615	1.8
149.13274	10.9
151.11171	21.1
153.12663	1.7
157.10118	2.7
159.11674	5.6
161.09683	1.9
161.13257	11.6
163.11197	12.4
163.14868	2.6
171.11694	3.9
173.13264	2.0
175.14818	3.9
177.12811	4.6
179.14317	83.5
185.13216	1.7
189.12755	2.9
195.13803	3.7
213.44368	1.6
221.15398	2.3
226.65974	1.5
227.12668	2.3
235.16885	3.6
241.19510	3.4
251.16362	3.9
259.20609	6.4
269.17438	22.4
275.19971	2.1
277.21640	69.0
293.21094	10.8
295.22769	6.1
333.23990	2.7
335.25803	2.7
348.28159	1.5
351.25311	54.9
367.24551	4.1
505.35178	1.9
531.36572	1.5
545.38367	100.0
546.38605	2.4
627.46161	39.9
628.46014	2.2
645.46881	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
53.14882	1.8
55.01873	5.6
55.05515	25.3
57.03436	6.4
57.07083	4.2
60.78534	1.6
65.03926	2.4
67.05508	52.1
69.03429	2.7
69.07077	22.8
71.01831	4.0
71.04990	1.9
71.08635	21.6
72.08165	2.0
79.05495	38.2
81.03424	5.7
81.07061	49.3
83.04983	4.2
83.08622	15.5
85.06535	2.8
91.05482	21.5
93.07050	44.6
95.04979	9.5
95.08614	36.8
97.06517	5.1
97.10177	10.5
99.08093	11.6
105.07038	19.0
107.04968	5.1
107.08593	27.3
109.06530	4.6
109.10162	15.2
111.08095	3.6
113.09625	3.0
116.17584	1.8
117.07013	8.8
119.08578	13.8
121.06499	5.4
121.10143	16.0
123.08093	3.5
123.11719	5.0
125.09616	5.5
127.07575	1.6
129.07037	3.1
131.08560	14.5
132.06441	1.6
133.10164	11.3
135.08067	3.8
135.11671	14.0
143.08575	2.2
145.10112	9.8
147.11711	9.4
149.09648	3.2
149.13258	7.8
151.11192	7.2
157.10143	2.7
159.11694	7.0
161.13252	8.1
163.11206	2.3
163.14772	3.6
167.10661	2.6
171.11763	2.5
173.13251	6.1
175.14845	2.5
177.12749	3.9
179.14323	11.3
180.14626	1.9
184.07368	5.8
187.14859	2.8
189.11169	3.3
189.12709	2.0
212.69533	1.7
226.45798	2.0
227.12682	8.3
243.21053	7.0
261.22119	12.8
269.17548	2.1
275.20093	5.4
277.21664	15.5
293.21121	100.0
315.86331	1.6
317.24792	3.9
335.25848	34.7
335.29761	1.2
351.25336	13.6
367.24860	25.0
369.26105	2.5
383.33142	2.8
409.37286	1.8
453.11484	1.9
453.33542	2.2
527.37732	8.3
545.38300	12.2
609.44995	6.0
627.46240	56.4
645.47070	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	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01859	12.9
55.05316	3.1
55.05511	29.3
55.08978	3.7
57.03439	13.2
57.07062	9.9
65.03939	7.5
67.05508	100.0
69.07069	25.0
70.98189	5.2
70.98506	3.9
71.04972	5.6
71.08620	3.8
77.03907	3.2
79.05495	59.7
80.76752	3.7
81.03414	9.9
81.06593	6.1
81.07059	95.7
82.48771	4.5
83.04974	8.5
83.08623	14.9
85.06543	9.7
91.05486	58.6
91.27083	3.7
93.07044	67.0
95.04960	11.5
95.08611	67.1
97.06510	7.2
97.10170	9.4
98.21465	3.7
99.08082	4.9
105.07028	43.4
106.67604	3.4
107.04948	7.2
107.08586	45.6
109.06511	7.3
109.10167	42.6
113.09654	3.8
117.06977	10.1
119.08609	25.0
121.06516	5.3
121.10146	22.2
123.04417	4.2
123.08077	9.5
123.11686	10.4
125.09644	6.5
129.06981	4.2
131.08582	18.0
133.10129	50.1
135.11690	19.2
137.09650	9.2
137.13205	5.1
143.08565	4.6
145.10120	14.3
147.11671	11.9
149.09595	4.0
149.13252	11.1
151.11211	17.2
159.11679	12.1
161.13248	6.7
163.11197	9.5
163.14803	7.7
173.13281	9.5
175.14818	8.2
177.12730	6.9
177.16463	4.0
187.14864	6.0
199.14806	3.3
239.18071	4.5
243.21130	13.8
247.20546	5.0
253.14401	23.2
259.20410	4.5
261.22070	16.0
275.20108	26.1
293.21045	12.7
317.24890	4.0
335.25815	65.0
337.27536	7.8
349.23557	9.8
367.24985	27.4
367.92377	4.2
466.94342	3.8
489.35873	4.2
517.40112	4.2
522.01959	4.0
531.36755	5.2
609.45679	7.9
613.48059	11.4
627.46045	50.5
645.46765	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	679.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.8
53.03948	14.9
55.01873	9.0
55.05268	3.3
55.05513	35.4
55.90085	1.9
57.03438	18.3
57.07077	4.0
65.03941	4.4
66.37032	1.8
67.05508	86.5
69.03435	15.7
69.07069	21.7
71.04996	9.8
77.03991	2.2
79.05499	85.6
79.05970	4.1
80.59369	1.6
81.03424	100.0
81.07060	73.2
81.07463	1.5
83.04995	28.9
83.08624	27.7
85.02902	16.3
85.06553	3.8
85.83758	2.0
91.05484	69.8
92.85665	1.8
93.07050	89.8
95.04976	28.3
95.08605	46.5
97.02894	23.2
97.06527	12.7
97.10168	7.0
99.04464	6.6
99.08123	4.5
103.05486	5.3
105.04491	2.6
105.07037	40.5
107.04982	9.4
107.08608	30.1
108.72914	1.8
109.02876	10.1
109.06500	10.7
109.10163	20.9
111.04448	11.6
111.08104	13.1
115.05460	4.1
117.07023	16.3
119.08595	37.5
121.06519	10.0
121.10157	38.9
123.04485	2.6
123.08069	5.3
123.11709	7.2
125.09686	4.0
127.03918	7.1
128.06198	4.4
129.05473	8.3
129.06999	13.7
131.04930	2.9
131.08569	28.5
133.06525	5.1
133.10149	21.1
135.04390	2.6
135.08054	6.4
135.11694	22.1
137.09654	9.8
139.11153	2.4
141.07048	2.1
143.08566	6.8
145.10120	18.9
147.04475	3.7
147.08063	5.3
147.11679	24.1
149.05998	3.2
149.09616	10.5
149.13239	6.9
151.07544	2.3
151.11131	2.3
153.12679	2.7
155.08575	4.7
157.10114	14.3
159.04428	4.0
159.11713	9.3
161.06018	3.2
161.13235	3.9
163.03929	19.2
163.11165	9.5
165.09138	5.0
165.12744	3.1
169.10086	3.3
171.11728	5.5
173.02390	9.9
173.06036	5.7
173.09677	3.3
173.13293	8.4
175.11163	12.8
175.14948	2.2
177.12762	2.0
181.10182	2.7
181.12231	3.3
187.03909	8.8
187.11287	2.6
189.05435	2.7
191.10699	3.1
193.10559	1.4
193.12263	35.5
195.08217	2.1
199.03931	6.3
201.05389	1.8
209.09637	2.6
211.13283	53.5
213.05521	6.2
215.17987	12.3
217.04936	2.9
217.12251	1.9
220.08960	1.8
227.12775	6.4
231.17528	5.2
233.15453	2.5
233.19006	8.9
239.10675	4.7
258.25656	1.9
267.16083	10.3
273.35556	2.3
283.09781	3.9
285.16843	20.5
307.22662	52.4
309.10956	3.4
311.12778	3.0
327.12415	5.1
331.11392	2.3
335.25870	6.0
341.21152	4.2
355.15015	10.1
359.21988	2.7
401.15909	7.2
415.24628	2.9
429.21161	11.8
499.34317	7.1
517.35358	47.3
587.33875	3.1
605.34625	4.2
625.37354	3.4
643.37830	5.2
651.38916	10.5
661.38593	31.8
679.38770	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.9
55.01868	8.5
55.03863	2.3
55.05515	29.5
57.03426	7.5
57.07069	8.6
65.03931	5.0
65.72728	2.5
67.05508	73.9
69.03413	3.0
69.07069	18.1
69.16802	27.4
69.45374	2.3
71.04970	5.3
71.08639	46.4
72.08134	2.6
79.05500	59.2
81.03415	11.3
81.06593	4.6
81.07061	84.9
83.04983	14.4
83.08628	17.1
85.06528	7.9
85.10173	2.3
91.05486	59.3
93.07053	86.7
95.04967	14.9
95.08609	48.9
97.06535	15.9
97.10168	4.5
99.08086	22.9
105.07040	42.2
107.04975	12.8
107.08597	51.4
109.06509	6.5
109.10162	34.0
111.08064	6.8
113.09656	6.3
117.07019	8.4
119.08588	23.8
121.06504	4.2
121.10149	41.5
123.08090	6.6
123.11708	6.7
125.09606	5.8
131.08577	12.4
133.10143	37.9
135.08018	2.5
135.11697	40.3
137.09604	8.8
141.09099	3.5
143.08540	5.2
145.10109	9.5
147.11687	9.4
149.09613	2.9
149.13293	13.0
151.11198	28.6
157.10135	4.5
159.11661	5.8
161.09604	2.6
161.13290	14.1
163.11182	10.2
163.14783	5.9
165.09142	4.4
167.10690	3.7
171.11731	4.6
173.13242	4.4
175.11310	2.5
177.12759	6.2
179.14319	100.0
181.12267	3.1
185.13290	3.2
189.12753	4.4
207.13834	2.5
229.19377	2.9
232.05638	2.3
235.16849	4.3
247.20732	2.4
253.14365	32.5
257.19000	2.5
259.20624	3.2
275.20035	22.4
277.21643	75.9
293.21133	11.8
295.22626	3.8
307.83981	2.5
335.25772	20.1
349.23737	15.8
351.21140	4.5
351.25323	61.3
367.24832	42.8
506.39209	4.9
547.36127	4.0
611.46692	39.2
619.96399	2.4
625.44836	24.4
643.45728	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.37
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38198	1.4
53.03955	7.7
55.01873	12.6
55.05516	17.6
57.03440	22.0
57.07083	2.8
61.02930	11.7
63.30473	1.4
65.03930	1.8
67.05507	40.9
68.99779	4.1
69.03434	35.6
69.03815	1.8
69.07073	33.9
70.06596	1.6
70.63593	1.6
70.63926	2.9
71.01358	7.3
71.04996	9.0
73.02921	37.1
76.72850	1.3
79.05497	27.8
81.03423	35.7
81.07060	51.8
83.01366	1.5
83.05004	7.6
83.08624	16.4
84.08160	1.8
85.02910	79.4
85.06540	4.7
86.09700	1.5
87.00838	32.0
90.98055	1.4
91.03938	1.8
91.05477	20.2
93.07050	34.9
95.04975	15.2
95.08610	50.9
97.02900	35.9
97.06522	7.1
97.10162	4.3
99.04466	13.9
99.08099	4.6
101.32191	1.2
103.03939	3.4
103.44464	1.5
105.01872	30.6
105.07039	17.3
107.04958	5.0
107.08604	27.6
108.04489	2.2
109.02887	28.1
109.06514	4.8
109.10163	23.4
111.04467	3.3
111.08088	3.6
115.03944	9.3
117.01862	2.5
117.07021	5.6
119.08576	18.2
121.06509	12.4
121.10159	17.3
123.04440	1.8
123.08061	3.0
123.11738	4.8
125.05979	1.4
125.09637	19.9
127.02966	2.8
127.03922	49.9
127.11229	1.2
128.06168	2.1
129.01863	3.7
129.06990	4.3
130.07693	1.2
131.08568	8.2
133.04973	3.5
133.06525	2.9
133.10135	13.4
135.04434	1.7
135.08044	9.8
135.11707	15.7
137.05978	2.4
137.09608	3.2
137.13287	1.6
139.11165	2.7
142.07858	1.5
143.03427	2.1
143.08583	4.7
145.04973	19.2
145.06107	2.1
145.06467	1.5
145.10129	5.7
147.02879	2.0
147.08057	4.3
147.11707	7.4
149.09622	6.9
149.13281	9.2
150.07637	5.0
151.03818	1.7
151.11220	1.9
151.14809	1.9
153.05409	1.4
155.08522	2.0
157.10144	4.0
159.02916	9.0
159.08063	2.8
159.11682	4.5
161.09647	2.3
161.13257	3.2
163.07513	1.8
163.11176	3.4
163.14737	2.0
167.08530	1.5
171.11743	2.8
173.13229	1.7
175.11188	4.8
175.14815	4.7
177.12744	1.9
181.05019	2.0
183.11682	1.9
184.07373	1.9
185.13203	1.7
187.11194	1.4
189.03972	5.0
189.16298	2.8
191.10805	2.5
193.12277	1.6
193.15822	1.9
199.06102	1.8
199.14937	2.2
201.03983	2.6
203.10696	1.7
205.12138	1.6
213.03947	7.1
219.81464	1.3
223.06012	13.3
231.05029	14.0
241.07147	3.3
245.22798	1.6
249.06078	5.9
249.18503	9.6
253.14447	1.6
261.21982	1.7
263.23645	13.8
279.23022	1.8
281.24762	100.0
283.15436	2.3
287.23749	3.6
291.19525	1.6
293.24829	2.7
301.09174	6.6
303.23239	3.0
305.24747	45.8
317.24756	1.4
323.25726	5.4
327.07098	5.0
335.26001	1.4
345.08145	4.9
347.26016	7.6
353.24490	2.3
359.25842	6.8
365.26941	9.9
371.25748	8.3
377.26874	3.9
389.26718	7.3
423.23550	1.9
431.24261	3.1
449.25314	3.1
463.26913	4.8
475.26691	4.3
481.28134	2.2
493.28082	10.4
511.28625	3.1
529.29651	1.8
571.86768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44992	1.3
53.03949	5.5
55.01884	3.9
55.05513	19.1
57.03436	7.2
57.07082	3.2
61.02934	27.4
65.03943	2.1
65.54831	1.5
67.05511	80.0
69.03427	5.4
69.07069	15.3
71.05000	4.1
71.08651	2.3
71.52039	1.7
73.02926	10.3
73.20593	1.7
79.05499	52.1
81.03424	7.9
81.07066	81.3
83.04981	3.3
83.08627	7.3
85.02913	31.8
85.06527	2.9
91.03957	26.8
91.05492	32.3
93.07053	67.2
95.04972	6.5
95.08613	70.0
97.02899	16.8
97.06535	4.9
97.10193	4.6
99.04486	3.7
99.08102	3.2
103.03927	2.3
105.04533	2.2
105.07050	25.4
107.04970	2.2
107.08603	42.5
109.02840	1.7
109.06528	2.6
109.10172	32.4
111.04430	2.1
111.11725	1.9
117.07028	12.4
119.08593	24.2
120.69360	1.6
121.09336	2.9
121.10164	36.9
123.08101	2.6
123.11722	17.5
125.09652	2.2
127.03945	11.6
129.07024	2.7
131.08560	22.4
133.10152	18.6
135.08049	3.2
135.11711	35.8
137.09715	1.7
137.13251	6.1
143.08583	1.9
145.04962	15.8
145.10153	17.3
146.60555	1.5
147.11703	14.2
149.09631	2.8
149.13274	21.7
151.11205	2.2
151.14816	2.9
152.17064	1.5
157.10159	4.1
159.11708	16.3
161.13272	12.5
163.06033	22.4
163.11198	3.9
163.14841	16.5
165.12749	3.2
169.10135	1.9
171.11699	3.1
173.13293	17.8
175.11288	1.6
175.14893	4.5
177.16405	6.8
179.14337	3.0
185.13208	1.7
187.14833	10.5
189.16379	1.9
191.14407	2.3
201.16444	2.1
203.18163	1.6
205.15988	2.8
215.18024	1.9
227.12872	2.4
233.13199	1.6
233.22653	2.2
243.21098	35.0
261.22165	100.0
262.22574	1.5
275.20032	2.6
279.23245	4.2
297.82007	1.7
311.10709	1.9
317.25125	1.9
335.25839	21.0
353.26898	36.7
405.27640	2.0
448.27795	2.1
479.29971	2.6
497.31769	6.4
515.33466	4.8
617.22522	4.3
645.21796	4.2
677.35333	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	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01874	2.8
55.05271	1.5
55.05516	14.6
56.17775	1.1
57.03443	7.6
57.07066	3.6
61.02929	15.9
65.03934	2.6
67.05510	73.9
69.03429	4.9
69.07074	18.1
69.29789	2.8
69.30196	8.6
71.04994	4.1
71.08650	1.8
73.02922	5.9
73.56838	1.3
75.04478	1.4
79.05498	44.9
81.03415	4.4
81.07060	84.3
83.04989	2.1
83.08620	9.4
85.00562	1.4
85.02910	21.2
85.06549	3.4
87.04446	1.5
91.03961	15.6
91.05486	23.4
93.07053	55.6
95.04975	4.2
95.08615	66.6
97.02897	8.3
97.06532	5.1
97.10183	5.7
99.08102	3.3
105.07034	18.1
107.05004	1.4
107.08597	39.4
109.10162	37.4
111.08089	2.0
117.07000	9.8
118.67117	1.4
119.08598	18.5
121.10152	36.4
123.08110	2.5
123.11728	17.7
125.09619	2.3
127.03963	7.2
129.06970	1.6
131.08577	22.8
133.10138	15.6
135.11705	27.2
137.09625	3.3
137.13266	5.0
139.11249	2.8
141.06978	1.5
145.04959	8.3
145.10117	18.4
147.11681	15.3
149.09657	2.8
149.13255	20.9
151.11198	2.1
151.14828	2.7
153.12723	2.5
157.10081	2.0
159.11697	14.8
161.13260	12.8
163.06041	11.9
163.11183	2.0
163.14873	13.3
165.12755	2.8
169.48584	1.2
171.11725	1.9
173.13255	14.4
175.14838	5.5
177.12766	1.8
177.16397	5.5
179.14366	3.0
187.14854	9.9
201.16466	3.8
233.22649	3.3
243.21118	33.0
261.22156	100.0
263.23709	1.9
279.23187	4.2
317.24835	2.3
335.25836	32.9
353.26941	32.9
461.29190	2.0
497.31232	7.1
515.33875	2.8
641.37933	1.4
677.36115	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	677.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53215	1.0
53.82558	1.2
54.86288	0.9
55.76985	0.9
65.03956	1.2
67.05488	1.5
69.47903	6.2
70.06590	9.3
70.48429	0.8
72.08141	1.8
79.05496	1.8
82.06600	1.2
84.04494	1.7
84.08139	2.2
86.09714	3.3
91.05469	0.9
93.07051	1.6
94.06579	5.5
95.07357	1.9
96.08141	5.2
98.20795	1.7
103.05488	1.2
106.06567	0.9
108.04488	1.7
108.08138	7.4
110.09106	1.0
110.09693	9.2
116.04970	2.8
120.04462	2.7
120.08123	8.9
122.06020	4.4
124.07585	3.5
134.06039	2.1
136.07584	9.6
138.09149	9.5
144.04457	10.3
145.05016	1.0
146.06003	4.2
148.07603	2.3
150.05531	1.4
152.07077	1.8
155.08142	1.1
160.03920	3.2
162.05479	5.8
164.07188	1.4
166.08626	10.1
172.03952	49.6
174.05431	2.3
176.07059	4.0
178.04976	4.3
185.10718	1.1
188.07040	1.3
190.04996	12.0
198.09222	1.7
204.06573	100.0
208.58803	1.0
209.10732	1.2
211.08624	1.6
212.09407	1.4
213.10202	3.9
215.11755	3.1
224.09456	1.4
225.10207	2.6
225.14645	1.1
226.08759	1.2
227.11768	2.4
236.09439	2.0
237.10117	2.5
238.10954	1.9
239.11940	1.8
241.09662	1.9
243.11301	11.8
245.12833	1.3
251.08234	1.0
251.11745	1.9
253.09720	1.3
255.11256	3.0
257.12912	2.3
261.12350	1.4
263.08112	1.0
264.08939	2.4
265.09705	1.7
267.07608	1.0
267.11221	1.9
269.09116	3.3
271.10791	2.0
271.63843	1.1
273.12369	4.3
277.09680	1.7
278.10406	0.9
279.11218	1.8
283.10699	4.4
284.11502	1.4
285.12329	12.2
287.10245	5.7
294.10019	1.3
297.12320	4.1
299.10379	1.3
299.13831	2.3
301.11862	3.6
302.12875	1.7
303.13403	33.2
309.12305	1.2
311.10379	1.7
313.11819	1.8
316.10837	1.4
318.16214	2.2
321.14511	5.3
323.10284	4.6
325.11810	10.7
327.13651	1.8
329.14905	2.0
330.12424	2.3
331.13007	1.2
337.08298	1.1
341.12280	1.0
342.12061	1.6
343.12994	2.9
344.13864	1.9
345.14792	1.4
346.15488	2.3
347.16611	1.6
356.13922	1.4
357.10220	2.1
357.14481	34.3
358.15573	5.0
368.14175	1.4
370.11844	1.7
371.12546	3.4
372.13507	3.1
373.14172	1.6
374.14859	2.2
376.16666	1.4
385.14032	2.1
386.15073	8.3
387.15802	3.8
394.17776	1.4
402.14056	1.5
403.15216	1.2
404.16129	4.7
406.17719	2.8
414.14487	8.7
415.15244	22.7
418.17532	1.7
420.15427	4.3
430.17569	2.2
432.15588	13.5
438.15927	1.5
444.15414	2.5
446.17148	3.0
456.15158	5.0
462.16711	9.8
474.10349	1.9
474.16650	24.5
494.19101	1.7
506.19336	13.2
508.17310	1.9
531.34998	1.1
583.25464	1.3
585.23303	4.4
599.24860	3.5
609.23230	7.7
623.25269	1.2
627.24554	88.1
628.24750	2.2
659.26892	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	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91204	2.7
53.03955	2.4
60.43449	1.9
63.72548	2.2
63.79096	1.8
65.03947	2.2
67.05486	5.0
70.06586	11.2
70.73431	6.2
79.05489	6.8
80.05016	4.3
81.03403	3.4
81.07062	3.1
82.06558	5.2
82.88837	2.4
84.08142	3.4
86.09695	4.6
91.05481	6.7
93.05786	2.7
93.07053	15.7
94.06570	20.9
95.04951	4.0
95.07355	18.0
95.08546	2.6
96.07681	2.3
96.08140	27.9
97.02900	4.2
97.06537	5.4
103.05443	3.8
106.06551	3.8
108.04461	8.2
108.08128	37.1
110.09686	55.9
120.04493	4.5
120.08113	39.3
122.06044	11.6
124.07578	5.3
132.08177	2.2
134.05977	3.2
136.07588	17.4
138.08144	4.2
138.09145	60.4
146.05997	3.8
148.07584	12.5
152.07025	4.3
157.10052	2.5
160.03922	3.8
160.07562	4.4
162.05537	2.6
164.07021	2.7
166.08636	72.9
172.03957	5.8
188.06972	2.5
190.04947	3.0
197.06985	2.1
199.08681	8.8
204.06490	9.0
211.08627	7.9
212.09344	2.1
213.06625	7.7
213.10229	6.1
219.13304	2.2
222.07755	2.2
223.08636	6.6
223.12383	2.1
224.09485	3.7
225.06549	8.7
225.10291	11.6
226.11023	3.9
227.08170	3.9
235.08627	5.1
236.09615	5.0
237.10211	15.7
238.10965	3.2
239.08061	7.2
239.11787	10.8
241.09679	4.0
241.13342	2.2
243.11369	4.6
249.10225	19.7
250.11029	9.5
251.08173	13.9
251.11852	18.5
252.09006	2.5
252.12552	3.7
253.09654	8.8
253.13412	3.6
255.07706	3.4
255.11368	3.7
263.08087	6.8
263.11746	10.8
264.09100	2.2
264.12656	5.0
265.09787	11.8
265.13400	7.9
267.11319	10.4
269.09686	2.2
269.12711	10.7
271.10928	2.5
273.12384	5.1
275.11713	3.8
277.09653	10.3
279.11215	8.6
280.12070	3.0
281.09302	5.3
281.12683	4.3
283.10797	9.6
285.12357	5.4
287.10889	2.2
289.12906	3.3
293.09161	6.0
295.10764	6.1
296.11652	4.7
297.12479	11.5
299.14124	3.1
301.12531	2.6
302.09445	3.4
302.12814	5.7
303.13724	4.4
305.08905	5.4
309.12332	11.5
311.10281	3.4
311.13843	3.8
313.12097	2.5
314.12845	7.4
314.16251	3.4
315.14090	2.9
316.14590	5.2
318.12399	4.9
323.10202	4.8
325.11865	4.7
326.12906	4.4
327.13458	8.3
329.11877	5.8
330.12402	11.3
330.15991	5.1
332.13809	6.2
338.12723	3.4
340.14548	3.2
341.11688	2.4
342.12347	7.2
342.16122	3.5
343.13287	4.9
344.13937	12.1
344.17676	2.9
345.15045	3.5
346.15662	4.0
354.12314	3.3
355.13477	3.8
356.13824	6.4
357.14923	4.8
358.15314	6.8
359.16223	4.2
360.17215	5.7
368.14105	4.0
369.14459	6.0
370.15436	4.7
371.12592	11.8
371.16730	3.8
372.13174	5.4
372.17392	3.6
373.14209	8.6
374.14941	4.0
382.15646	5.1
383.13049	2.4
384.17157	5.9
385.14359	3.3
386.15015	8.8
387.15656	7.3
388.12350	3.5
388.16519	10.1
389.13757	10.8
393.14841	2.5
398.15103	4.9
400.16913	13.6
401.13562	5.3
402.18372	4.1
403.15955	4.0
406.17386	3.6
410.14883	5.3
412.16568	3.4
414.14142	4.4
416.16086	20.7
418.17749	14.9
428.16074	10.8
430.17456	10.6
434.17139	23.2
438.14578	5.1
444.15567	34.2
446.17148	32.9
447.16843	2.8
452.17767	4.2
456.15665	18.6
462.16669	64.3
474.16599	58.5
476.18167	4.6
480.17679	40.0
492.17706	19.1
494.19299	42.0
506.19263	53.9
512.20325	84.7
524.20313	70.1
525.20435	2.8
581.23871	7.4
591.22052	3.0
599.24982	21.0
609.23560	23.9
627.14441	4.9
627.24530	100.0
628.25519	2.7
631.26947	4.1
641.26013	40.1
645.25519	39.0
659.16473	3.4
659.27075	56.4
677.27850	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	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48001	1.0
51.17413	1.0
53.03942	2.5
54.40485	1.1
65.03945	1.4
67.05495	4.1
69.07076	1.8
70.06590	3.9
70.96348	2.3
72.90379	0.9
79.05499	6.1
80.05020	4.7
81.03410	1.8
81.05788	2.9
81.07052	2.5
82.06580	4.9
83.64083	1.0
86.09656	1.1
91.05477	7.6
93.05784	1.3
93.07053	14.4
94.06565	18.2
95.04955	3.7
95.07345	14.8
95.08655	1.6
96.08132	34.3
97.06525	4.0
98.06063	1.1
103.05471	3.1
105.05757	1.2
106.06581	3.5
106.62848	1.2
108.04482	12.7
108.08121	20.0
109.08904	3.1
110.09682	60.8
118.06593	1.8
119.08591	1.4
120.04472	13.9
120.08105	39.8
120.08956	2.5
122.06040	4.9
122.09699	1.9
123.06805	3.0
124.07630	2.4
134.06073	2.5
136.07588	8.1
138.09138	63.0
146.06046	3.0
148.07578	12.1
150.09189	1.8
152.07056	1.6
160.07628	2.5
164.07127	1.7
166.08641	59.2
172.03976	4.0
187.08722	1.8
190.05032	1.7
195.09366	1.1
197.10783	1.9
199.08749	4.6
201.10422	1.5
204.06595	4.7
209.10764	1.8
210.11342	1.9
211.08708	3.3
211.12392	1.4
213.10158	2.7
215.08136	1.3
223.08705	3.9
223.12299	2.8
224.09497	3.7
225.06639	2.8
225.10243	4.5
226.10979	1.7
227.08176	1.5
227.11902	3.5
229.09758	1.1
235.08794	3.5
235.12302	1.6
236.09392	7.0
237.10184	10.8
238.10857	2.6
239.08237	1.5
239.11784	8.3
240.12582	1.8
241.09720	3.9
243.11292	2.1
248.09383	2.4
249.10219	19.2
250.11000	7.1
251.08282	2.9
251.11780	28.9
252.12555	5.4
253.09726	5.8
253.13435	3.7
255.11432	2.0
261.10294	1.4
262.10834	1.1
263.08224	1.7
263.11829	7.8
264.12552	4.0
265.09753	5.3
265.13467	5.9
266.10501	2.4
267.11356	3.9
269.12851	30.8
271.10843	1.6
273.12448	4.6
274.11157	1.3
277.09760	2.8
277.13095	1.4
279.11234	6.6
281.09595	1.5
281.12912	2.3
282.10031	1.6
283.10858	5.9
284.11667	2.1
285.12396	4.7
287.14133	2.1
288.11743	1.3
293.09158	3.7
295.10922	3.5
296.11658	2.2
297.12320	10.9
299.14114	3.6
300.14957	2.7
301.12238	2.3
302.13004	2.7
303.10458	1.4
303.14087	1.8
304.14532	1.4
308.14151	1.4
309.12302	4.1
311.10507	2.0
311.13986	4.9
312.15356	1.3
313.12167	1.8
314.13104	3.0
314.16620	8.9
315.13962	1.9
316.14453	6.6
317.12036	1.5
317.15442	1.4
318.12558	1.7
323.10324	1.8
325.11972	5.2
326.13077	2.2
326.16602	2.1
327.13809	4.3
328.14682	4.7
329.11981	2.4
329.15839	2.3
330.12454	5.6
330.16220	3.6
331.16983	1.7
332.14020	3.0
333.14938	1.5
339.10037	2.6
339.13971	1.8
341.15341	1.9
342.12305	4.0
342.16086	3.2
343.13290	2.4
344.14005	10.4
344.17694	2.2
345.14810	3.5
346.15576	4.8
354.12411	2.4
354.16248	2.9
355.13220	2.4
356.14069	8.3
356.17712	3.0
357.15009	5.5
358.11935	2.2
358.15567	7.7
359.16330	5.5
360.13385	1.3
360.16913	5.1
368.14557	1.5
369.14804	1.9
370.15585	3.5
371.12274	1.5
371.16290	4.3
372.13049	1.9
372.17416	6.5
373.14456	4.5
374.15018	3.9
374.19019	2.4
378.14450	1.3
382.15573	3.3
383.13437	1.6
384.17532	6.8
386.14899	10.2
387.16013	8.0
388.16617	8.0
389.13535	4.8
390.18350	2.3
392.16235	1.6
398.14932	2.0
399.15479	1.5
400.16562	16.8
402.18521	6.8
404.15799	2.6
405.17520	1.6
406.17859	4.2
410.14954	1.9
412.16425	1.9
415.15359	2.5
416.16055	34.6
417.16580	1.8
418.17450	8.0
421.16180	1.4
428.16019	14.0
429.16122	1.8
430.17545	6.0
434.17090	40.3
435.17618	2.3
436.18832	2.5
438.14584	2.7
446.17099	67.7
447.17078	1.3
448.18744	3.5
452.18030	9.5
456.15781	3.3
462.16757	4.4
464.18115	13.1
474.16727	4.5
480.17419	6.5
494.19208	4.8
506.18842	5.3
512.20251	23.8
524.20258	7.5
542.72638	1.3
553.24426	6.6
563.22919	2.8
571.25439	3.7
581.23969	22.3
582.23053	1.3
583.25250	6.5
599.25000	73.9
600.25653	2.0
601.26239	2.5
609.23120	7.6
617.26154	21.3
627.24396	24.9
631.27094	1.4
641.25745	6.9
645.25537	99.1
646.26019	2.4
659.27136	17.7
677.28131	100.0
678.28613	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	677.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01863	1.7
65.03939	2.2
67.05517	2.7
68.04996	1.4
69.46241	1.0
69.58785	6.7
70.06599	1.4
79.05502	3.4
80.05025	2.9
81.03431	3.3
81.05804	2.8
81.71708	1.2
82.06579	2.6
83.04973	1.2
91.04996	1.2
91.05470	7.4
93.05782	1.5
93.07038	13.5
94.06579	19.1
95.04984	1.8
95.07354	15.3
95.08598	2.2
96.08133	36.8
97.06537	2.7
98.20861	2.4
103.05488	2.0
105.13464	1.3
106.06582	3.1
107.08594	1.2
108.04491	7.8
108.08121	20.1
109.08897	1.6
110.09686	58.9
118.06597	1.5
119.08569	1.4
119.57362	1.1
120.04462	9.3
120.08112	41.2
121.06507	1.6
122.05240	1.2
122.06010	5.7
123.06870	2.0
124.07598	2.4
134.06049	1.8
136.07579	7.0
138.09148	66.4
146.06007	2.6
148.07587	9.6
152.07094	1.2
160.07610	2.3
166.08653	64.3
172.04030	2.5
176.27303	1.3
183.11850	1.3
184.07597	1.3
186.07898	1.4
190.05042	2.2
195.09293	1.4
197.10806	1.4
199.08685	4.3
201.10255	1.6
204.06621	5.4
209.10742	1.3
211.08690	2.2
212.09431	1.9
213.06575	1.8
213.10307	2.9
216.10275	1.2
223.08749	3.2
223.12245	2.6
224.09473	3.9
225.06694	2.6
225.10294	6.4
227.11862	3.2
235.08696	4.1
235.12349	1.6
236.09282	6.0
237.10236	10.1
238.10977	3.5
238.24802	1.3
239.08122	2.3
239.11656	7.0
241.09792	3.3
243.11264	2.1
245.12877	2.1
247.13274	1.1
249.10219	15.9
250.11075	8.3
251.08159	1.4
251.09193	2.1
251.11809	25.7
252.08768	1.7
252.12636	5.5
253.09798	5.3
253.13388	4.3
255.11407	3.7
261.10327	2.2
263.08447	2.3
263.11887	6.9
264.12512	1.7
265.09784	5.2
265.13412	6.2
266.10623	2.5
267.11395	4.5
269.12833	26.3
273.12405	4.4
275.11835	1.5
277.09756	2.8
279.11270	5.6
281.12634	1.7
283.10834	5.8
285.12369	4.2
287.11768	1.5
293.12863	2.0
295.10840	3.2
296.11780	1.8
297.12213	7.8
298.13535	1.7
299.10779	1.5
299.14038	2.3
300.15115	1.6
301.12277	2.8
302.13156	1.9
303.13596	1.5
305.09311	2.4
305.12741	1.8
309.12518	3.8
311.13986	2.7
313.12488	1.1
314.13162	2.2
314.16614	6.4
315.17352	1.6
316.14621	3.5
318.12485	1.6
318.16058	1.4
323.10327	2.4
325.12082	4.6
326.16663	3.1
327.13724	3.7
328.14487	4.4
330.12408	4.0
330.16074	3.2
331.17001	1.7
332.13889	2.9
338.12805	1.7
340.14575	1.4
342.12589	3.4
342.16162	2.8
343.13382	3.9
344.14005	9.9
344.17633	2.1
345.14731	3.1
346.15546	4.1
354.16351	3.1
355.13507	1.5
356.14044	6.0
356.17847	2.7
357.14676	5.9
358.15652	6.8
359.16299	5.0
360.13235	1.8
360.17206	3.1
362.15149	1.4
368.14011	2.1
370.15616	2.8
371.12384	2.0
371.16519	4.4
372.13382	2.9
372.17136	5.1
373.14447	3.8
374.14874	3.3
374.19171	2.3
382.15604	3.1
383.16449	1.4
384.17197	4.8
386.14905	7.8
387.15851	9.1
388.16614	6.7
400.16522	15.4
401.14014	2.1
402.18323	6.7
403.15726	1.9
405.16855	1.6
406.17755	5.0
410.14737	2.0
412.16562	2.5
415.15094	1.5
416.10309	1.7
416.16034	30.9
417.17120	2.5
418.17593	8.5
428.16122	11.8
430.17566	5.8
432.15686	1.3
434.17117	37.9
436.18826	2.7
438.14810	2.1
444.15637	2.8
446.17157	65.3
447.17041	2.0
448.18802	4.2
452.17981	8.5
456.15802	3.7
462.16476	9.0
464.18304	8.9
474.16620	8.6
480.17856	7.6
494.19119	8.7
506.19339	10.5
512.20313	28.3
512.27106	1.2
513.20844	1.9
524.20331	9.8
553.25018	4.3
570.13367	1.4
571.25787	3.5
581.23993	18.5
583.25781	3.1
599.25061	59.9
600.24780	1.5
601.26331	1.4
609.23505	8.9
617.26031	14.9
627.24451	27.6
641.26147	6.9
645.25562	76.3
659.27026	15.0
677.28143	100.0
678.28644	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	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
54.68647	2.5
55.01859	2.2
55.05520	3.1
61.02914	1.7
65.03940	2.5
65.12812	1.7
67.05492	7.7
68.75740	1.9
69.03430	2.6
69.07057	4.6
69.77787	10.8
70.06602	14.8
71.04980	2.2
72.08163	3.1
77.15856	1.7
79.05492	8.8
80.05016	5.0
81.03410	4.6
81.05805	2.6
81.07058	7.9
82.06596	4.3
83.08613	2.1
84.08145	2.2
85.02904	4.6
86.09727	4.5
91.05475	9.0
93.07047	15.9
94.06565	18.2
95.04965	3.7
95.06921	1.7
95.07370	17.2
95.08614	3.9
96.08142	37.2
97.02864	2.8
97.06521	6.1
98.06055	2.7
103.05460	3.5
105.07048	2.8
106.06524	3.5
107.07319	2.4
107.08632	2.2
108.04483	7.1
108.08126	31.7
109.02898	4.2
109.08926	1.8
109.10171	2.6
110.06014	3.1
110.09681	61.8
120.04462	6.0
120.08106	46.4
120.08951	3.1
121.06488	2.7
122.06046	12.0
122.09704	2.7
123.06819	4.1
124.07581	4.3
127.03934	2.3
130.31223	1.9
132.08089	3.7
133.06592	2.2
134.06004	3.7
136.07600	15.4
138.05544	2.9
138.09142	64.8
144.08063	2.5
145.06494	2.1
146.05959	3.6
147.11671	2.3
148.07552	12.4
150.96390	1.8
151.03944	1.8
152.07028	2.9
159.11554	2.0
160.04045	3.4
160.07510	2.4
166.08653	63.8
172.03922	4.9
175.92615	1.9
187.08725	2.7
188.07118	2.4
190.05052	4.3
197.07042	3.8
199.08743	10.0
204.06586	8.3
211.08664	6.9
212.09451	3.3
213.06613	14.8
213.10233	7.9
221.10756	2.4
222.39537	2.1
223.08806	4.6
224.09476	2.5
225.06645	12.6
225.10286	8.7
226.10960	3.0
227.08162	7.8
227.11763	2.5
229.09848	4.4
235.08698	5.6
236.09473	6.5
237.10272	17.0
238.11140	2.4
239.08179	9.4
239.11781	12.1
240.12222	2.6
241.09753	6.3
243.11299	4.9
243.14977	4.7
248.09457	3.5
249.10252	16.1
250.10985	7.7
251.08147	11.2
251.11765	23.6
253.09755	10.1
253.13335	4.1
255.07622	3.0
255.11266	7.4
257.09180	2.4
257.13177	2.7
261.10275	3.2
263.08240	4.9
263.11813	11.3
264.08957	3.9
264.12540	3.7
265.09705	11.8
265.13171	5.3
266.10440	4.8
267.11359	9.7
269.12885	6.3
271.10666	3.5
271.14444	7.1
272.15234	10.0
273.12448	5.3
275.11621	2.5
277.09729	7.4
278.10361	4.0
279.11310	12.4
279.23151	2.6
281.09311	3.3
281.12808	3.1
283.10791	6.5
285.12375	6.8
291.11362	4.1
293.09244	5.0
293.12524	3.2
295.10745	4.7
297.12393	7.8
299.14050	3.9
300.11432	3.0
301.11923	4.1
302.12613	2.9
303.13712	4.1
304.14661	2.8
305.09198	3.9
309.12326	9.2
311.10236	3.0
311.13901	4.0
313.12091	2.6
314.12921	6.2
315.13907	4.4
316.10962	2.4
316.14438	5.0
323.10168	6.2
324.11053	2.6
325.12027	4.4
326.12723	4.3
327.13428	9.2
328.10709	2.8
328.14471	5.1
329.11661	6.5
329.15512	3.0
330.12341	9.4
330.15933	5.6
331.13461	2.6
332.14050	6.2
337.11795	3.3
339.13589	3.4
342.12256	5.6
342.15927	4.1
343.13324	5.7
344.14041	13.4
345.14740	2.5
346.12018	3.3
354.12347	4.1
355.13309	3.9
356.13873	6.1
357.14844	3.9
358.11716	4.2
358.15585	7.9
361.14560	3.4
363.13461	2.5
367.13406	2.7
368.14160	3.6
369.14536	3.8
370.11539	2.3
370.15753	4.1
371.12268	12.1
372.13293	5.4
372.17374	3.6
373.14175	7.3
374.14859	6.7
374.18881	3.1
378.14276	3.4
378.74323	2.5
382.15503	2.6
384.12936	3.9
384.17270	4.1
385.14935	3.0
386.14902	6.6
387.15677	6.7
388.16840	9.9
389.13651	13.3
398.15204	2.2
400.16678	11.5
401.14307	4.0
402.14261	4.1
403.15997	4.4
404.16202	4.0
406.17490	4.0
410.15158	3.7
412.16495	3.6
414.14261	5.1
415.14877	3.3
416.16040	22.6
417.16388	2.6
418.17621	10.9
428.16125	14.9
430.17654	9.7
434.17120	19.2
436.18372	2.7
437.16623	2.1
438.14615	4.3
444.15469	27.4
446.17065	25.1
452.18271	4.8
456.15591	16.0
458.17395	3.3
460.18704	2.7
462.16580	56.2
464.18332	2.8
474.16562	61.7
476.18320	5.4
480.17700	42.3
488.17847	4.3
492.17450	17.1
494.19183	36.1
506.19229	46.0
512.20325	91.6
524.20288	75.4
534.22144	2.1
553.24030	2.6
565.24994	2.3
571.25769	2.9
581.23755	6.4
591.21240	2.7
599.24829	17.2
609.23450	26.2
613.26367	4.2
627.24518	100.0
631.28467	2.4
641.26154	37.7
645.25549	44.5
659.27087	63.0
677.28290	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	676.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01866	0.7
55.05521	3.1
57.03429	1.2
57.06839	0.4
57.07085	4.5
60.08162	1.3
65.03931	0.3
67.05506	4.3
69.03416	0.7
69.07072	3.7
69.85775	1.7
71.04996	0.6
71.07369	0.9
71.08640	2.8
76.79020	0.3
79.05500	3.6
81.03428	9.9
81.07062	5.2
82.03756	0.3
82.07379	0.3
83.04981	0.9
83.08623	4.1
85.10182	1.8
86.09712	5.9
91.05483	4.4
91.13759	0.3
93.07058	3.3
95.04984	3.0
95.08618	3.5
97.02892	0.6
97.06557	0.3
97.10177	1.6
98.98465	1.6
104.10730	0.5
105.07039	3.7
107.04932	0.9
107.08621	2.2
109.10162	1.5
111.08115	0.8
111.11757	0.4
117.07001	0.8
119.03553	1.2
119.08579	2.8
121.10152	1.2
123.08106	0.5
123.11721	0.5
125.00005	3.8
125.09659	0.5
129.07042	1.5
131.08624	1.6
131.45663	0.4
133.10135	1.7
136.06200	100.0
137.04607	1.5
137.06563	0.7
143.08586	0.6
145.10194	0.8
147.11656	1.4
149.09642	0.8
149.13255	0.5
157.10159	1.2
159.11667	0.4
161.13170	0.4
163.11234	0.3
173.13251	0.3
175.11221	0.9
181.10039	0.3
184.07359	16.6
185.13237	0.3
187.14598	0.3
193.12277	2.5
199.14986	0.3
223.13252	0.5
259.20612	0.9
267.15936	3.7
268.16174	0.4
291.19540	2.3
313.27356	4.1
333.24313	1.2
346.18948	1.0
364.20105	0.3
365.23410	0.6
420.22433	0.9
503.37091	0.6
504.37711	5.9
505.39014	1.4
525.35986	0.4
602.89795	0.4
623.42902	1.3
658.45520	5.9
676.46368	19.3
677.46808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44395	0.8
53.03945	1.1
54.33801	0.8
55.01849	0.9
56.45324	0.9
60.29701	0.8
67.05508	1.3
70.06586	6.0
70.16218	3.3
70.16560	0.8
79.05497	2.1
79.64652	0.8
81.07043	0.9
82.06625	0.8
83.44353	0.9
84.08126	1.7
86.09730	1.4
89.03912	1.2
91.05513	1.3
93.07060	2.7
94.06573	5.1
95.07341	2.6
95.08582	0.9
96.08134	5.8
98.21461	0.9
106.06547	1.4
108.04497	1.7
108.08125	8.1
108.97607	0.9
110.09718	7.6
116.04961	2.3
118.06551	0.9
120.04465	3.1
120.08148	6.6
122.06050	5.8
124.07624	7.2
127.08689	0.9
129.62056	1.0
134.06033	2.2
136.07611	8.0
138.09154	9.9
144.04495	5.9
146.06055	4.4
148.07541	3.0
152.07072	2.5
160.03967	2.5
162.05583	4.5
164.07121	1.9
166.08636	10.6
172.02539	1.6
172.03954	21.8
174.05515	2.4
176.07088	4.1
177.06758	1.0
185.07108	1.2
190.04997	19.5
198.09323	1.5
200.09290	1.0
204.06581	36.2
211.08650	0.9
213.10216	3.2
215.11790	2.5
224.09517	1.6
225.10201	2.5
227.11703	2.4
229.13358	1.3
236.09416	1.3
237.10265	3.0
238.11052	1.8
239.11757	1.3
241.09608	2.4
243.08122	0.8
243.08585	1.0
243.11293	12.5
249.10330	1.9
251.08191	1.0
251.11827	1.8
253.09868	2.0
255.11249	2.2
264.08960	3.3
265.09744	1.7
267.11194	1.2
269.09225	4.1
269.12576	1.0
271.10794	1.4
273.12485	4.3
277.09824	1.6
279.11163	2.1
283.10785	4.1
284.11453	1.3
285.12363	19.4
287.10281	8.2
297.12329	7.8
299.13940	3.3
301.11954	3.0
302.12851	1.9
303.13446	26.8
304.14236	1.0
312.15094	1.2
313.11819	2.5
316.10736	1.3
316.14365	1.6
317.15015	1.1
323.10229	4.4
325.11871	28.8
326.13086	1.0
327.13498	2.1
329.11551	1.3
330.12619	1.4
339.13400	1.2
343.13055	4.0
344.14011	2.3
344.45630	1.0
346.15500	1.7
357.10968	0.9
357.14557	9.6
358.15469	3.8
370.11841	1.7
371.12555	2.5
372.13474	3.8
373.14270	2.5
374.15018	2.8
385.14438	2.1
386.15189	7.0
387.15594	3.4
389.14011	1.3
392.15924	1.0
396.12973	1.2
400.16821	1.1
402.14111	2.0
402.18665	1.6
403.14920	1.4
404.15967	5.9
406.17575	3.0
413.13834	1.1
414.14520	9.9
415.15314	18.3
416.15811	1.3
418.17532	2.0
420.15759	4.2
428.16180	1.7
430.17694	2.7
432.15564	13.1
433.16397	1.0
438.16415	1.2
444.15588	1.1
446.17026	2.3
456.15668	6.6
462.16727	9.5
464.17874	2.0
474.16635	26.3
494.19107	2.1
506.19269	9.6
581.23798	1.8
583.25098	1.7
585.23401	3.6
599.24542	3.0
609.23389	7.0
627.24542	100.0
628.24591	3.0
637.18164	1.0
659.27008	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	676.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01867	0.4
55.05315	0.2
55.05513	2.1
57.03441	1.0
57.07080	3.2
65.03949	0.2
67.05510	3.7
69.03436	0.2
69.07071	1.9
69.20698	1.6
70.07368	0.2
71.04970	0.4
71.08639	2.4
79.05502	2.6
81.03424	6.8
81.07059	2.8
82.03743	0.4
82.91416	0.2
83.04999	0.4
83.08620	2.5
84.59218	0.2
85.06591	0.2
85.10205	1.1
91.05498	2.7
93.07041	1.7
95.04964	2.0
95.08617	2.5
97.02923	0.2
97.06568	0.2
97.10161	0.9
98.98463	0.4
105.07040	2.1
107.04953	0.5
107.08611	1.1
109.06515	0.6
109.10154	1.6
111.08064	0.4
117.07031	0.7
117.68647	0.2
119.03572	0.9
119.08575	2.1
121.06506	0.2
121.10141	0.9
123.08083	0.2
123.11707	0.4
129.07014	0.7
131.08572	1.2
133.10152	1.5
135.11694	0.6
136.06194	100.0
137.04561	1.0
137.06577	0.4
137.09666	0.2
142.07793	0.4
145.10147	0.4
147.08075	0.3
147.11694	0.8
149.09621	0.4
151.11223	0.4
157.10132	0.7
159.11714	0.4
161.13329	0.3
175.11229	0.6
179.14343	0.6
184.07370	0.5
193.12239	1.6
229.14435	0.3
253.14403	0.5
259.20651	0.5
267.15924	3.5
268.16290	0.2
273.18658	0.2
277.21744	0.3
291.19501	0.5
313.27402	3.6
333.09476	0.2
333.24384	0.5
339.29117	0.5
365.23245	0.5
399.79044	0.2
420.22324	0.3
504.37689	3.2
505.38971	1.8
622.42645	0.2
623.42865	0.4
641.44080	0.9
658.45459	3.5
676.46472	8.9
677.47040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67737	0.6
53.03928	2.0
55.01863	1.5
55.05508	4.0
57.03429	2.8
61.02927	6.6
67.05507	5.9
69.03407	1.6
69.07049	1.8
70.06212	0.9
70.06596	16.7
70.51060	1.9
71.04977	1.9
72.08163	1.6
72.83518	0.7
73.02900	2.2
74.06068	0.7
79.05496	7.0
81.03420	70.8
81.07054	6.2
83.04973	3.1
83.08624	17.3
84.04493	2.0
84.08150	3.0
85.02911	8.1
86.09700	5.4
86.26105	0.6
86.50082	0.6
91.03957	5.8
91.05480	9.8
93.07065	4.4
95.04970	24.0
95.08606	2.0
97.02890	5.2
97.06522	1.3
97.10154	0.9
103.03979	0.9
103.05419	0.6
105.07029	5.8
107.04949	4.9
107.08585	2.5
109.02848	0.8
109.06520	1.7
111.04439	1.9
111.08089	7.7
115.05443	1.3
116.07051	0.5
117.06995	1.0
119.04939	1.0
119.08591	6.0
120.08099	0.8
121.06497	1.7
121.10184	4.6
123.04418	2.2
123.08058	1.4
125.09663	0.7
127.03915	2.4
127.08640	0.6
127.92312	0.6
129.07011	7.1
131.04921	0.8
131.08566	4.8
133.06491	2.5
133.10156	2.9
135.11716	0.7
137.05923	0.8
137.09654	1.4
142.07785	1.4
145.04947	2.7
145.10139	1.3
147.04362	1.5
147.08041	2.2
147.11673	6.7
149.09622	5.0
155.08151	1.3
155.11745	0.7
157.10127	10.0
161.09750	0.7
163.03944	0.8
163.06020	7.2
163.11179	1.2
165.12700	1.1
171.11691	0.7
173.09236	4.3
175.11182	11.5
189.12753	1.2
193.12251	54.6
200.13945	1.0
211.13255	3.7
228.13397	0.9
231.47168	0.8
235.13339	3.4
246.80666	0.6
248.07039	0.7
249.14882	1.1
259.13150	1.4
263.05582	0.6
267.15918	39.9
273.14850	1.5
276.06656	0.8
285.16974	100.0
286.17480	1.1
301.14346	2.0
309.16977	17.8
309.38123	0.6
318.19205	0.6
319.15411	0.7
327.18060	2.4
351.18048	2.3
363.17899	6.4
375.17929	3.7
387.22733	0.8
393.19092	4.4
410.08707	0.8
411.20288	3.1
429.21207	10.5
441.56549	0.6
461.23859	1.1
585.26746	0.7
591.25623	1.0
623.28589	0.7
706.98138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05505	0.9
64.59970	0.8
67.05505	2.0
67.65073	0.7
69.03435	1.0
69.07036	1.5
70.06594	1.2
70.96252	1.7
71.54945	0.8
79.05492	3.3
80.05003	2.3
81.03385	1.7
81.05801	1.3
81.07066	0.8
82.06577	2.0
85.02938	0.9
87.22031	0.7
91.05466	2.9
93.05775	1.2
93.07041	6.6
94.06577	10.8
95.04955	2.0
95.07342	8.4
95.08624	1.3
96.08136	14.2
97.02839	1.0
97.06508	2.2
103.05416	1.7
105.07066	1.1
106.06494	0.9
107.08604	0.8
108.04476	2.0
108.08125	12.7
110.09691	24.0
120.04472	0.9
120.08107	17.8
120.61970	0.8
121.06535	1.1
122.06036	12.1
124.07619	1.9
134.06018	1.2
136.07584	10.4
137.09529	0.9
138.05460	1.0
138.09140	24.1
148.07582	3.6
160.07611	1.5
165.09126	3.5
166.08644	28.5
172.04018	0.9
198.07870	0.9
206.08327	1.0
207.09372	1.0
211.08687	2.9
221.10765	2.6
225.10306	1.4
226.10834	1.1
234.07899	1.1
234.11543	1.1
235.08723	3.7
236.09412	2.7
237.10216	2.2
238.10992	1.0
239.11925	0.8
247.08682	5.3
248.09399	3.2
249.10243	24.2
250.11011	3.9
251.08043	0.8
251.11710	3.7
253.09814	1.5
261.10175	4.0
262.11017	2.3
263.08188	1.5
263.11789	6.8
264.09100	1.1
264.12369	0.7
265.09662	3.7
265.30359	0.8
267.11212	1.0
271.10876	0.9
275.08066	1.4
276.08890	1.2
277.09729	16.2
278.10544	4.9
279.11322	5.3
281.09128	1.1
281.12701	0.8
289.09698	3.5
291.11243	4.7
292.11914	1.0
293.09125	1.6
295.10754	1.6
296.71210	0.8
300.15128	1.2
301.13138	1.4
302.12927	1.3
303.07730	1.3
304.08234	1.2
307.10522	1.5
309.12411	9.2
310.13211	3.7
311.14105	1.5
312.12183	1.4
313.12579	2.4
314.12860	2.6
315.14233	0.9
316.11084	1.2
321.08521	2.3
323.10321	2.0
323.13989	1.4
324.11420	0.9
324.14862	2.6
325.12234	1.3
325.15979	1.0
326.12970	1.7
326.16531	1.4
327.10321	1.3
327.13992	2.5
328.11301	4.2
328.13913	4.2
329.11737	1.7
329.15311	1.4
330.12308	2.3
330.15942	1.5
335.10184	3.5
337.12180	2.4
338.12836	2.6
339.10818	1.3
339.14154	1.3
340.10992	2.9
340.14392	2.4
341.11765	3.3
342.12442	7.6
342.15976	1.4
343.13098	4.3
344.13898	4.3
344.17493	1.2
345.11176	0.9
352.14487	7.3
353.15518	1.6
354.12109	4.0
354.16052	3.4
355.13055	5.1
356.10242	1.7
356.14001	14.6
357.14951	3.9
358.11707	1.7
358.15509	2.7
359.12506	1.1
366.12430	2.7
367.13199	2.2
368.14047	2.8
369.11050	2.4
369.14932	1.6
370.11639	2.8
370.15527	7.3
371.16202	2.8
372.13049	2.0
372.14365	1.2
372.17401	5.4
372.64670	1.0
373.14218	1.4
374.15079	1.0
375.15686	0.9
380.13815	3.4
381.14795	1.1
382.11646	3.2
382.15970	6.0
383.12961	4.4
384.13333	10.1
384.17392	1.1
385.14081	2.6
385.17926	2.8
386.14883	2.6
386.19107	1.0
395.12451	1.1
396.13284	2.0
397.14172	4.4
398.15134	10.7
399.15939	5.7
400.16711	15.3
402.14410	1.6
404.16211	1.0
408.13245	1.8
410.14954	3.0
412.12708	5.5
413.13486	1.7
414.13736	1.4
414.19061	3.9
415.15186	1.3
416.16302	4.0
417.16702	2.4
425.13620	1.7
426.14566	10.6
427.15173	1.0
428.16116	12.2
430.18307	1.1
436.12891	1.2
442.08630	0.9
442.18506	7.6
443.15155	2.3
444.15619	8.0
446.17322	1.4
454.13977	35.5
460.19363	9.9
472.15076	78.4
473.15295	1.6
474.16589	12.1
476.18210	1.0
486.16309	3.2
492.17673	49.7
493.17380	1.1
504.17645	30.0
522.18433	5.1
544.86578	0.9
579.22021	2.7
593.56342	0.9
597.23370	0.9
607.21948	12.8
611.24945	6.7
621.23621	1.6
625.22961	29.0
626.23254	1.5
629.25806	1.4
639.24548	30.2
640.25482	1.3
643.23773	1.2
657.25574	100.0
658.25610	3.0
675.26709	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.6
53.04138	0.3
55.01823	0.9
55.05464	1.4
57.03390	0.7
58.68476	0.3
67.05503	2.2
69.03379	1.4
69.03719	0.4
69.07006	1.0
69.41959	2.4
70.06509	0.3
71.04955	0.4
79.05499	2.5
81.03419	3.1
81.07059	2.4
83.04960	0.5
83.08578	0.8
85.02917	1.8
87.00800	0.7
87.44350	0.3
91.05500	2.3
93.07050	2.4
95.01106	0.3
95.04904	1.4
95.06052	0.6
95.08610	1.6
97.02831	1.4
97.06490	0.7
98.99075	0.3
99.04417	0.4
101.42402	0.3
105.01797	0.6
105.07061	1.9
107.04926	0.6
107.08533	1.3
109.02856	0.7
109.06466	0.5
109.10122	0.4
111.04423	0.5
117.06940	1.0
119.08594	1.8
121.10107	0.8
123.08030	0.4
125.09603	0.5
127.03876	1.1
128.06100	0.3
129.06934	1.0
131.08594	1.6
133.10052	1.1
137.09613	0.5
143.08493	0.6
145.04904	0.3
145.10068	1.1
147.11594	0.6
155.08603	0.4
157.10046	0.9
159.11690	0.5
163.11118	0.7
169.10031	0.4
171.11656	0.3
183.11627	0.4
193.12131	0.7
211.13223	0.4
267.16010	0.7
275.20087	0.7
303.19205	0.4
351.90381	0.3
453.16013	0.6
454.17188	0.5
460.27762	0.3
467.13779	1.2
468.13849	2.0
469.14969	8.1
470.15363	1.7
478.29272	0.5
479.17017	0.5
480.14160	0.3
481.14731	2.1
482.15878	10.4
483.16620	10.3
484.17392	2.1
487.16003	0.3
495.16794	1.2
495.31262	0.4
496.17542	5.4
497.18274	41.2
498.18817	4.1
499.19846	0.6
510.19180	2.0
511.19962	5.2
512.20831	1.5
513.32043	1.1
515.19476	1.6
523.16498	0.3
527.15405	0.5
528.16498	1.8
529.17291	0.4
538.20599	1.5
541.17224	0.8
542.17877	2.6
543.18848	0.5
555.19098	0.9
556.19684	3.5
557.20325	4.0
569.20081	0.7
571.21777	0.7
616.21185	2.1
627.46497	0.4
629.22620	0.6
630.22943	0.5
643.24054	7.5
644.24799	9.6
645.24237	0.7
657.25702	7.4
657.35815	0.7
675.26678	100.0
676.26904	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	674.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.8
57.03424	1.3
57.07061	1.2
65.49690	0.3
67.05501	3.4
69.07072	4.2
71.08617	1.1
71.52636	0.4
72.08161	0.3
79.05487	2.3
79.34130	0.3
81.03421	7.9
81.07053	3.2
83.04964	0.5
83.08177	0.4
83.08624	5.0
85.02921	0.6
85.10210	0.4
88.56141	0.3
91.05467	1.9
93.07040	1.4
95.04974	2.0
95.08617	2.0
97.02876	0.4
97.06519	0.4
97.10184	2.7
105.07028	1.5
107.04951	0.5
107.08589	1.3
109.10152	0.8
111.08076	0.6
111.11707	0.5
117.06943	0.4
119.03557	1.7
119.08574	1.8
121.06494	0.3
121.10172	1.1
129.07016	0.9
131.08582	1.0
133.06450	0.4
133.10147	0.6
135.11723	0.4
136.06187	100.0
137.04572	1.1
137.06554	0.4
142.07843	0.4
145.10159	0.4
147.11670	0.8
149.09604	0.3
149.13191	0.4
157.10117	1.0
159.11749	0.3
175.11200	0.9
184.07349	0.9
193.12228	2.3
206.34575	0.3
211.13342	0.4
267.15927	4.0
267.68823	0.3
311.25803	5.1
346.18851	1.3
402.22302	0.4
420.22583	0.7
441.22321	0.4
479.09491	0.3
503.37369	1.4
505.38986	1.2
656.43707	6.6
674.44873	25.0
675.44794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27371	0.3
51.69279	0.4
53.03925	0.6
55.01860	0.3
55.05516	3.8
55.88085	0.4
57.03202	0.4
57.03445	4.2
57.04527	0.4
57.07080	33.8
58.46658	0.3
61.02929	13.9
67.05509	9.4
69.03426	1.8
69.07069	7.5
71.04982	0.5
71.08633	28.6
73.02924	4.6
75.04475	2.2
79.05470	1.6
81.03391	1.5
81.07056	13.9
81.57221	0.4
83.04962	0.4
83.08167	0.7
83.08627	10.9
85.02909	15.8
85.06507	0.5
85.10188	16.7
87.04464	0.6
87.57518	0.3
89.06028	0.6
91.03957	14.0
91.05451	0.8
93.07034	1.3
95.04943	0.5
95.08611	26.5
97.02306	0.5
97.02897	8.2
97.10173	6.1
99.04429	1.1
99.11715	1.4
103.07581	0.6
105.07005	0.9
107.08556	0.5
109.02883	0.9
109.10164	11.2
111.11707	1.5
113.13299	0.4
115.03933	0.8
119.08517	0.6
121.10143	0.4
123.11715	5.8
125.13258	1.3
127.03914	5.1
133.10086	0.3
135.11740	0.4
137.13298	1.7
139.14929	0.4
145.03925	0.6
145.04973	7.0
151.14830	0.8
156.49767	0.4
163.06024	13.6
163.07411	0.7
165.16449	0.9
183.47191	0.4
196.03975	0.4
204.08649	0.4
221.22612	1.0
232.44742	0.5
239.23708	20.5
257.24808	4.4
268.16632	0.4
292.26086	0.4
298.27341	0.5
305.48410	0.5
313.27368	100.0
314.27661	1.3
325.11090	0.4
331.28430	48.4
332.28659	0.8
395.23865	0.5
395.50513	0.4
447.97101	0.4
475.32596	0.8
636.39288	0.7
672.41534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.01867	0.3
55.05274	0.2
55.05516	3.1
57.03453	0.8
57.07084	1.0
67.05220	0.1
67.05511	1.4
69.07069	2.7
69.98153	0.3
69.98556	0.5
71.04987	0.2
71.08627	0.8
79.05491	1.2
79.86970	0.2
81.03422	6.9
81.07061	1.4
82.07388	0.1
83.04967	0.4
83.08618	3.1
85.10185	0.2
91.05482	1.9
93.07048	0.8
94.04085	0.2
95.04974	1.7
95.08607	0.8
97.06522	0.2
97.10182	1.6
98.98429	0.2
105.07044	1.2
107.04967	0.6
107.08617	0.3
109.06546	0.2
111.04427	0.2
111.08077	0.4
111.11728	0.3
117.07018	0.2
119.03561	1.2
119.08597	0.8
121.06458	0.3
121.10148	0.8
126.40170	0.1
129.07036	0.6
131.08569	0.5
133.10124	0.4
135.11682	0.2
136.06190	100.0
137.04588	1.1
137.06548	0.2
138.32289	0.2
147.08078	0.1
147.11694	0.6
149.09605	0.4
157.10114	1.0
165.12828	0.2
175.11209	0.5
179.99817	0.1
193.12242	1.5
211.13428	0.2
267.15918	4.7
267.18628	0.3
279.63651	0.1
311.25781	2.9
392.76712	0.1
420.22495	0.3
426.38635	0.2
503.37439	2.0
534.99377	0.2
656.43610	2.1
674.44861	9.8
675.45465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05513	9.2
57.03448	6.6
57.07081	9.3
61.02930	18.8
67.05508	53.7
69.03436	3.0
69.07069	16.4
70.13206	1.3
70.69614	2.8
70.69977	2.0
71.04971	3.0
71.08623	2.2
73.02921	6.8
75.96593	1.2
79.05505	17.5
81.03407	4.0
81.07061	61.7
83.04968	1.9
83.08622	9.9
85.02911	24.3
85.06546	2.9
85.10216	2.1
91.03972	21.6
91.05489	18.9
93.07058	15.3
95.04980	2.1
95.08611	52.5
97.02898	12.6
97.06528	6.3
97.10152	4.8
99.08085	5.5
105.07047	12.5
107.08607	10.8
109.09473	1.9
109.10160	18.9
111.08077	4.2
111.11720	1.4
113.09631	5.2
114.00684	1.4
115.03940	1.5
119.08591	14.1
121.10152	17.0
123.08066	1.5
123.11720	12.0
127.03918	7.1
127.11179	3.1
133.10150	17.2
135.11693	16.7
137.09622	1.6
137.13252	14.5
139.03961	1.4
139.11145	1.3
145.04956	11.5
145.10153	1.7
147.11711	10.4
149.13278	5.2
151.11243	2.4
151.14825	10.8
153.12762	1.5
161.13258	9.6
163.06047	17.8
175.14836	5.2
189.16400	2.5
215.76721	1.2
217.19530	65.7
235.20583	100.0
236.20880	1.7
237.22185	1.7
253.21637	2.0
266.84927	1.4
309.24252	48.5
327.25327	15.9
471.29395	4.9
482.67050	1.4
668.40387	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81317	0.8
55.05516	1.2
56.58368	0.9
57.07062	1.1
62.86535	0.8
67.05511	4.9
69.07061	1.1
69.31833	1.3
69.32235	6.0
71.08628	1.1
79.05488	2.4
81.07058	3.9
93.07037	3.3
95.08643	3.9
105.07029	1.9
107.08579	1.8
109.10159	1.7
117.07077	0.9
119.08562	0.9
131.08589	0.8
135.11804	1.0
142.80911	0.8
145.10248	0.8
159.11696	1.0
169.36240	0.8
174.46216	0.7
179.14511	0.8
229.04820	0.8
317.20901	10.6
334.30716	0.9
373.23596	2.7
375.25095	1.1
507.40106	1.1
572.10443	0.9
669.47028	100.0
670.46979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05268	1.8
55.05513	21.8
57.03424	5.4
59.05018	1.4
65.03929	2.0
67.05185	1.6
67.05511	26.1
68.99784	1.3
69.03436	7.1
69.07076	8.1
70.06573	1.4
71.04975	4.7
71.38388	1.6
79.05497	28.0
81.03417	17.9
81.06597	1.5
81.07066	29.6
81.99280	1.2
83.04973	5.0
83.08622	13.4
84.08151	1.1
84.28412	1.1
85.02900	4.9
85.06527	2.6
86.09737	1.2
86.31836	1.1
91.05484	16.7
93.07056	18.5
95.04375	1.6
95.04975	18.9
95.08612	11.4
97.02892	4.6
97.06519	4.9
97.10172	20.8
103.05421	1.4
105.06380	2.2
105.07025	14.6
107.04967	18.7
107.08606	15.3
107.72242	1.1
109.02880	2.5
109.06535	9.5
109.10157	10.9
111.04441	2.8
111.08065	3.6
117.07024	8.1
119.08588	11.3
121.06499	14.7
121.10150	8.4
123.04417	1.6
123.08044	5.8
123.11707	4.4
125.05995	1.4
125.09637	19.4
127.03935	1.7
129.07016	6.3
131.04932	3.4
131.08583	11.9
133.06500	4.6
133.10123	4.5
135.08084	7.7
135.11711	3.3
137.06003	2.0
137.09595	5.2
141.06981	2.9
143.08549	3.7
145.06459	8.3
145.10086	5.5
147.04382	2.6
147.08026	8.3
147.11707	4.7
149.05957	1.8
149.09621	4.3
151.07559	1.5
153.06947	1.3
153.09114	5.6
153.12691	1.8
155.08548	2.0
157.06474	2.1
157.10104	3.2
159.08060	3.5
159.11679	1.8
161.05940	2.4
161.09659	3.1
163.03801	2.4
163.11188	4.6
165.09134	43.4
165.12782	1.8
167.08659	1.7
169.10103	2.8
171.08078	3.4
171.11728	1.7
173.09644	1.6
173.11777	1.3
173.13162	2.3
175.11180	2.3
177.12782	2.0
183.11740	2.1
185.09592	1.4
185.13304	1.6
187.11143	1.4
187.14809	2.2
189.11206	9.0
189.12671	2.9
191.14372	2.0
193.12230	5.6
195.11734	2.5
197.13179	2.9
199.11246	2.3
201.12776	2.1
203.14369	1.3
211.11295	1.4
211.13223	2.1
213.12752	2.4
215.14380	2.2
217.12303	2.0
219.13817	3.4
221.11699	1.8
223.11232	1.8
223.13275	1.6
227.12778	3.1
227.14609	1.5
233.15314	6.5
235.13255	1.3
237.12715	1.7
241.14395	2.0
245.15506	2.5
255.13863	3.1
259.13126	2.2
267.15988	10.3
267.99658	1.2
273.14774	6.4
289.18073	1.9
339.23187	2.7
349.21436	6.2
355.15768	2.3
357.24194	2.0
367.22699	22.7
385.23782	36.6
403.24887	9.5
405.24301	2.3
423.25497	1.7
429.19135	2.6
441.26410	8.2
459.27435	100.0
477.28513	84.6
477.33817	1.4
477.35553	2.8
478.29080	1.9
491.29889	8.6
501.28461	1.6
509.31033	3.3
613.62903	1.3
671.32471	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	671.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82294	1.5
53.41476	1.4
55.01867	4.9
55.05518	20.6
57.03441	7.1
61.02922	4.2
65.03936	1.4
67.05506	23.8
67.32441	1.7
69.03426	8.0
69.07080	7.0
70.06606	3.6
71.04985	5.2
71.52742	1.3
72.08122	2.2
73.02930	2.4
79.05071	2.7
79.05495	30.2
79.09330	1.4
81.03432	16.4
81.07058	30.1
81.74471	1.4
83.04977	4.4
83.08622	15.3
85.02899	6.0
85.06526	4.1
91.03962	1.5
91.05479	18.9
93.07053	20.0
95.04984	15.0
95.08619	13.1
97.02884	3.9
97.06517	4.5
97.10171	24.8
103.05476	1.9
105.07029	13.5
107.04964	16.3
107.08598	17.7
109.02863	2.7
109.06538	9.1
109.10183	9.5
111.04460	1.6
111.08069	3.2
115.05426	2.2
117.07028	7.8
119.08578	9.7
120.08098	2.2
121.06515	16.1
121.10123	9.0
123.04416	1.9
123.08082	4.7
123.11703	2.1
125.05991	1.9
125.09636	20.0
127.03930	2.1
129.07007	5.6
131.04918	4.3
131.08557	11.4
133.06468	4.3
133.10147	4.3
135.08072	6.1
135.11681	2.2
137.09607	3.0
141.06992	3.7
143.08565	3.9
145.06511	10.3
145.10136	8.4
147.04376	2.4
147.08051	6.1
147.11707	6.0
149.06003	1.8
149.09639	5.2
153.09123	4.2
153.12766	2.0
155.08511	2.9
157.06473	3.3
157.10120	3.6
159.04428	2.0
159.08084	2.9
159.11679	3.6
161.05989	1.7
161.09607	5.1
163.07487	1.9
163.11200	5.3
165.09145	2.1
165.12836	2.0
168.08969	1.7
169.10109	1.6
171.11687	3.2
173.09654	3.6
175.11169	2.4
181.10127	2.1
183.08022	2.1
185.09570	3.3
185.13350	1.8
187.11241	3.6
189.11197	9.6
189.12711	2.3
191.14366	1.5
193.12227	6.9
195.11800	3.0
197.13286	2.4
199.11240	2.6
199.13246	2.0
205.12128	2.4
211.13284	2.1
215.14319	3.5
219.11800	2.1
219.13812	2.7
223.11209	1.7
227.12750	4.6
233.15398	6.5
237.12878	2.8
241.14374	1.7
245.15665	1.7
255.13803	4.1
267.15997	8.8
273.14771	9.8
287.16565	1.8
293.17307	1.7
304.68164	1.9
339.23154	3.2
349.21716	8.3
367.22690	25.3
385.23804	34.9
403.24841	12.1
431.49496	1.6
441.26489	9.3
459.27438	100.0
477.28491	78.8
491.30148	9.9
509.30701	4.4
591.92334	1.6
605.30231	1.8
671.32220	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	667.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31665	2.4
53.03948	3.2
55.05509	13.3
57.07079	6.2
58.40614	2.4
61.02930	4.7
65.03939	4.3
67.05506	20.6
69.03426	9.5
69.07071	12.8
69.15969	21.6
69.16376	5.4
70.06608	17.4
72.08159	6.7
73.02911	3.0
79.05500	22.6
81.03409	6.3
81.07063	63.5
83.04990	14.5
83.08602	7.4
84.04501	3.9
84.08154	7.6
85.02908	29.2
85.06544	3.3
86.09706	8.5
87.04449	3.2
91.05472	31.4
93.07050	48.6
95.04966	9.2
95.08617	67.0
97.02916	12.7
97.06538	4.7
105.06329	4.0
105.07040	83.4
106.31819	2.9
107.08607	85.3
109.02901	4.2
109.06523	8.1
109.10158	35.2
109.89880	3.1
110.07169	4.7
111.08082	13.7
117.07009	11.4
119.04954	2.6
119.08596	90.4
120.08124	6.9
121.06532	7.3
121.10157	46.5
123.08068	4.4
123.11713	23.2
125.09663	23.4
127.03865	4.0
129.07034	7.4
129.10185	2.8
131.08569	42.2
133.10146	61.9
135.08063	4.1
135.11714	25.4
137.05975	4.8
137.09608	3.8
142.07814	3.1
143.08566	19.4
144.09290	3.4
145.04997	4.4
145.10141	84.8
147.04411	4.5
147.11711	43.6
149.09573	5.3
149.13278	18.0
151.11198	5.8
155.52760	3.1
156.09358	3.0
157.10136	25.2
158.10913	4.3
159.11705	69.7
161.06081	3.3
161.09639	6.0
161.13289	32.2
163.03964	4.9
163.11169	5.2
163.14828	22.3
167.08568	3.0
169.10115	3.1
170.10864	4.4
171.11678	25.1
173.13277	54.0
175.14867	46.7
177.12733	6.7
177.16394	23.2
179.14246	3.7
183.11707	8.3
185.13243	35.0
187.14848	74.4
189.12784	4.8
189.16393	28.8
191.14359	13.8
191.17944	5.8
193.15935	9.2
197.13255	7.2
199.14844	34.7
201.12733	3.6
201.16397	57.3
203.14308	17.9
203.18004	18.6
205.15910	100.0
207.17430	5.0
209.15343	4.0
211.14850	9.1
213.16373	27.8
215.14258	6.2
215.17998	13.3
217.15852	15.1
217.19429	3.8
219.17470	22.0
221.15431	6.3
223.16946	4.5
227.17949	6.8
229.15820	15.2
231.17445	10.2
233.19064	7.6
241.19521	6.5
253.19630	4.6
267.21100	6.0
277.17877	3.6
283.20575	5.5
301.07306	3.3
343.22562	3.0
357.24014	3.6
377.32065	4.5
381.31345	3.9
387.30469	4.6
393.31497	19.4
395.33127	9.8
405.31516	29.0
407.33130	21.9
411.32938	5.2
421.30823	4.6
423.32690	48.9
425.34256	16.0
433.30978	6.9
439.32068	19.3
441.33563	10.8
451.32156	41.7
457.33194	8.2
469.33136	99.9
487.34341	4.5
568.04022	3.4
631.38190	7.7
645.37048	3.0
667.26428	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	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01865	2.0
55.05516	19.7
57.03446	7.2
57.07077	5.0
65.03937	2.6
67.05509	67.2
69.03431	0.7
69.07072	21.6
71.04986	2.4
71.08635	5.3
71.24721	0.6
73.97369	0.7
79.05499	30.0
81.03429	2.8
81.07061	65.7
83.04981	7.6
83.08630	11.7
85.06551	1.7
85.10180	1.1
87.06776	0.6
91.05486	21.1
93.07050	34.8
95.04981	7.1
95.08611	41.8
97.06529	6.6
97.10177	4.6
98.20703	1.4
99.08110	4.4
105.07037	14.6
107.04974	1.4
107.08604	19.4
109.06527	2.5
109.09475	1.1
109.10167	14.0
111.08087	2.9
111.11734	0.8
113.09644	1.2
117.07026	6.4
119.08594	9.4
121.06541	1.0
121.10155	11.0
123.08083	1.5
123.11716	5.3
125.09655	1.8
129.07007	1.4
131.08575	6.4
133.10141	10.0
135.08041	0.9
135.11696	6.8
137.09636	1.1
137.13255	1.9
139.11194	2.1
140.63298	0.5
143.08548	1.2
145.10139	3.2
147.11691	4.9
149.09621	1.0
149.13239	8.3
151.11206	5.7
157.10159	1.8
158.01018	0.6
159.11687	4.4
161.09723	0.7
161.13216	2.9
162.17383	0.6
163.11227	2.3
163.14841	2.3
165.12740	0.9
167.14281	0.8
171.11798	0.8
173.13272	0.7
175.14862	2.5
176.41269	0.7
177.12741	1.2
177.16289	0.6
179.14250	0.8
185.13225	0.8
187.14897	1.0
195.13818	4.6
201.16702	0.6
217.19528	1.1
227.12807	1.4
229.14485	0.7
231.21083	0.7
233.15395	0.8
245.22690	1.5
251.16451	2.5
259.20627	2.2
261.22220	0.6
262.72198	0.6
263.23792	3.0
267.15952	0.8
269.17480	13.0
277.21606	7.2
291.19604	1.1
295.22800	0.8
319.26120	0.9
328.08228	0.7
335.25858	1.0
337.27396	32.9
338.27771	0.7
341.27023	1.3
351.25330	9.1
441.20740	1.2
452.82693	0.7
491.37366	2.4
513.39105	0.9
515.41168	0.8
531.40491	100.0
532.40601	1.7
554.33453	0.7
610.39948	1.0
613.48267	7.8
631.49213	1.9
683.88580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01868	1.5
55.05505	6.7
57.03430	5.6
57.07061	4.2
61.02929	28.9
65.03929	1.5
67.05505	38.1
69.03412	4.6
69.07071	7.9
70.64455	1.5
70.64803	1.9
71.04986	4.7
71.08627	1.5
73.02911	10.9
79.05492	38.8
81.03409	2.3
81.07056	43.2
83.04975	2.9
83.08610	6.3
85.02905	34.8
85.06542	5.7
86.02946	1.0
86.09676	0.9
91.03954	26.5
91.05473	17.9
93.07041	47.8
95.04961	3.2
95.08605	30.5
97.02885	16.3
97.06530	5.1
97.10189	1.6
99.04446	1.4
99.08087	6.2
105.01849	1.0
105.04483	1.1
105.07029	14.5
107.08588	27.0
109.02858	1.0
109.06506	2.9
109.10154	21.3
111.08069	3.6
113.09633	4.2
115.03897	1.8
117.07010	6.5
119.08578	13.3
121.10140	37.0
123.08028	1.7
123.11720	12.9
125.09614	2.4
127.03922	11.6
129.06990	1.4
131.08568	20.6
133.10136	17.5
135.08063	2.5
135.11685	45.0
137.09619	3.2
137.13240	5.1
139.11168	1.4
144.09181	1.0
145.04958	14.0
145.10120	20.4
147.11664	14.0
149.09601	3.8
149.13258	24.1
151.11145	2.8
153.12721	1.3
153.69156	0.9
157.10098	1.3
159.11687	18.4
161.13248	4.1
163.06010	30.5
163.11166	3.7
163.14824	1.5
173.13249	14.3
175.14868	2.4
177.12711	3.0
187.14850	4.8
189.16400	1.9
191.14258	1.5
191.17976	1.3
205.15845	1.9
205.19493	6.9
215.17943	73.4
233.19003	100.0
233.74489	1.0
235.20630	1.6
251.20061	2.0
307.22638	11.0
325.23712	46.4
400.32706	2.5
403.49759	1.0
417.33426	1.9
418.33917	4.4
469.27649	1.4
666.35583	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93787	2.2
52.09308	2.3
53.03942	3.9
55.01877	6.4
55.05513	46.4
57.03443	3.0
57.07078	11.1
58.15034	2.4
67.05511	84.3
69.03423	8.0
69.07075	30.0
69.54860	13.9
69.80755	2.5
71.04988	6.8
71.08633	24.7
72.69814	2.7
79.05073	4.0
79.05497	38.0
81.03436	4.0
81.07066	88.1
83.04991	9.3
83.08627	31.3
85.06551	3.5
85.10180	3.9
85.88651	2.5
91.05482	27.3
93.07050	36.0
94.07356	2.9
95.04974	6.7
95.08620	58.4
97.06538	4.7
97.10177	58.9
99.08105	10.4
105.07042	25.3
107.08620	31.3
107.99388	2.7
109.06538	3.7
109.10167	26.5
110.28756	2.5
111.08105	3.8
117.07021	5.7
119.08575	16.3
121.10124	11.7
123.08104	2.5
123.11756	6.6
125.09657	44.3
131.08592	6.6
133.10150	10.5
135.08051	5.4
135.11708	8.6
143.08601	3.9
145.10147	3.4
147.08121	2.4
147.11690	7.4
147.27197	2.4
149.09583	2.7
149.13251	5.7
151.11200	10.3
153.09126	3.0
159.11700	3.2
161.13225	7.6
163.11172	7.4
163.14897	3.7
173.11810	4.0
175.14850	5.8
179.14409	3.2
189.11227	22.0
227.12802	100.0
245.13869	3.0
245.22708	3.2
259.20419	2.9
263.23666	6.7
277.21637	22.9
289.59460	3.0
291.19608	10.8
337.27374	53.5
338.27887	2.4
341.26923	16.6
351.25330	52.1
393.22668	6.3
435.34634	11.3
507.36819	73.1
515.40826	15.7
523.39984	3.1
537.41553	5.0
554.41101	2.7
613.48242	68.0
614.48792	3.4
631.48627	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	664.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01885	5.4
55.05515	41.6
57.03430	8.2
57.07067	15.5
60.68030	3.0
65.03935	5.4
67.05510	96.4
68.96526	3.4
69.07073	41.2
69.40807	21.2
71.04987	6.8
71.08624	7.0
71.64082	2.8
75.01958	3.2
79.05500	60.5
81.03410	3.9
81.06605	5.4
81.07067	100.0
83.04977	10.2
83.08635	20.8
85.06539	5.6
86.35775	3.1
91.04977	4.7
91.05499	52.4
93.07052	77.0
95.04966	12.2
95.08067	5.3
95.08624	72.5
97.06541	7.1
97.10155	10.9
98.20725	4.0
99.08078	9.3
105.07047	36.7
107.08600	42.4
109.06508	7.3
109.10178	25.3
111.08060	4.8
117.07034	15.6
119.08614	28.3
121.10142	31.2
123.11700	9.4
125.09634	10.2
129.07011	8.1
131.08583	20.0
133.10110	16.7
135.11671	18.4
137.09589	5.0
143.08592	5.4
145.10123	11.8
147.11685	10.0
149.09602	5.0
149.13304	17.9
151.11226	5.8
157.10103	4.4
159.11702	11.3
161.13269	9.3
163.11183	6.2
171.11693	4.5
171.56418	3.2
173.13191	6.1
177.12798	5.9
179.14259	6.1
188.49614	3.3
188.69864	3.8
189.11313	3.4
193.98924	3.4
195.13686	4.7
195.61252	3.6
227.12770	22.4
257.18887	5.7
261.21991	4.5
268.86722	3.7
269.17477	23.8
275.20068	10.9
277.21600	11.0
317.24680	3.7
335.25800	40.5
337.27408	32.0
349.23718	16.5
351.25281	9.5
383.13962	4.2
440.78647	3.3
489.35632	3.7
491.37384	6.0
492.37598	5.3
495.26596	4.5
496.26846	6.1
517.39185	4.0
529.38940	80.4
530.38928	4.8
531.40784	5.1
552.32947	4.5
569.58105	3.5
608.39435	5.8
611.46655	21.9
629.47723	7.8
646.50043	8.4
664.51080	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	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.05515	19.3
57.03437	6.7
57.07089	8.3
65.03965	2.3
67.05511	64.5
68.11532	1.6
69.07076	20.7
69.40574	9.9
69.40984	4.1
71.04993	4.3
71.08627	4.4
77.34834	1.5
79.05500	48.1
81.03426	3.9
81.07061	54.9
83.04986	7.0
83.08638	12.2
84.11935	1.5
85.06535	2.3
87.04459	1.8
91.05492	34.2
93.07053	58.6
95.04971	9.5
95.08619	41.3
97.06538	6.2
97.10189	4.6
99.08114	5.3
105.07038	21.3
107.04984	2.5
107.08611	30.9
107.09312	3.2
109.06501	2.0
109.10184	17.3
111.08102	3.3
117.07031	11.7
119.08602	16.1
121.10166	18.4
123.08127	2.2
123.11707	4.2
125.09643	3.6
129.07018	2.1
131.08572	12.4
133.10150	12.7
135.11670	11.0
137.09615	1.8
139.11209	2.9
143.08652	2.0
145.10158	7.3
147.11726	7.8
149.09618	2.9
149.13284	9.1
151.11195	4.7
151.21423	1.7
157.10132	2.8
159.11725	8.1
161.13303	3.2
163.11227	3.3
165.12766	1.9
171.11684	2.5
173.13344	2.7
175.14851	1.9
175.37733	1.9
176.33749	1.8
177.12830	2.1
195.13815	4.5
227.12819	4.6
229.14456	1.9
243.21059	2.7
259.20581	2.6
261.22110	5.3
269.14996	1.9
269.17459	11.0
277.21716	9.4
278.23236	1.9
287.28412	2.1
335.25845	34.8
337.27390	2.5
351.25388	10.0
389.70752	1.9
440.20615	1.9
489.35678	5.4
496.26706	2.1
521.38477	2.3
529.38947	100.0
530.39240	3.8
552.32947	3.7
608.38934	2.2
611.46533	10.1
629.47711	3.8
646.50134	5.8
664.50677	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	665.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
53.04167	0.6
55.01868	4.7
55.05509	3.3
57.03444	3.2
57.07080	3.5
61.02923	2.2
64.67889	0.6
65.03938	0.7
67.05511	8.4
68.83158	0.5
68.99791	1.3
69.03432	19.0
69.06725	0.9
69.07073	10.2
69.98175	1.8
69.98587	1.0
71.04993	2.8
71.08648	3.3
73.02921	2.8
77.03914	0.7
79.05502	10.0
81.03422	12.6
81.07059	35.8
82.07385	0.6
83.04987	6.7
83.08620	3.4
85.02908	44.2
85.06543	1.5
87.00829	19.6
91.05482	6.7
93.07053	10.0
95.04981	1.6
95.08611	16.3
97.02900	11.9
97.06535	62.1
97.10168	1.6
99.04457	6.2
99.08095	7.1
101.02390	1.1
105.01192	1.3
105.01871	18.0
105.07043	8.8
107.04945	1.1
107.08591	11.0
109.02888	12.6
109.06523	58.8
109.09462	1.1
109.10161	11.8
111.04455	0.6
111.08105	0.9
111.11728	1.5
117.01828	0.8
117.07008	2.3
117.74454	0.6
119.08588	7.6
121.06497	3.0
121.10149	9.1
123.08071	9.3
123.11694	4.3
125.09632	0.7
127.02976	1.4
127.03924	26.6
129.01869	1.0
129.07019	1.5
131.08575	5.7
133.06485	1.4
133.10141	8.6
135.08061	2.8
135.11694	5.4
137.09624	0.9
137.13245	0.9
143.08540	3.2
145.04965	9.5
145.10126	11.6
147.02917	0.8
147.08035	2.4
147.11690	6.0
149.02321	1.4
149.09618	3.8
149.13271	4.1
155.08539	1.9
157.10152	4.8
158.11040	0.6
159.02861	3.8
159.08052	1.1
159.11707	7.1
161.09647	3.5
161.13242	3.1
163.11172	4.0
163.14832	1.6
169.10133	1.4
171.11673	3.8
173.09654	3.1
173.13281	5.5
175.11282	2.8
175.14841	4.7
177.12741	3.7
177.16307	0.9
181.10228	0.9
183.11699	2.5
185.13229	2.6
187.06122	0.9
187.14835	3.6
189.03925	1.5
189.12843	1.2
189.16412	2.0
191.14368	1.1
191.17923	0.8
193.04897	0.8
195.11629	1.7
197.13286	2.5
199.14830	2.0
201.12759	1.3
201.16408	1.6
203.14320	1.2
203.17969	1.3
205.19560	0.6
209.13275	0.8
211.14883	2.8
213.03967	1.7
213.16454	1.6
215.14270	1.3
215.17970	1.4
217.15889	1.3
217.19481	1.3
221.15427	0.8
223.14813	0.7
225.16399	2.4
225.67809	0.7
227.17896	1.5
229.16055	0.7
231.04962	6.3
237.16470	1.4
239.17957	0.8
241.19556	0.8
245.18977	1.0
249.06128	2.3
251.17976	1.8
253.19543	4.9
255.17401	3.0
255.21213	1.0
257.18823	0.7
257.22650	0.7
265.19431	0.6
269.19025	20.8
271.20581	14.9
281.22733	3.8
285.22192	1.2
295.24091	0.8
297.22174	1.2
299.23712	11.0
307.24109	0.7
313.25314	4.3
325.25305	1.3
329.24966	1.2
363.30475	2.1
381.31516	20.4
383.25964	0.7
399.32593	61.0
400.32776	1.0
417.33640	100.0
418.33966	2.9
448.92471	0.8
462.29297	0.7
560.53906	0.6
610.27753	0.7
647.37726	0.6
665.36017	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01880	3.3
55.05272	3.8
55.05518	38.1
55.05770	5.0
57.03432	9.8
57.07064	6.1
58.78969	2.2
65.03937	3.2
67.05511	100.0
69.07077	35.2
71.04987	2.3
71.08620	2.3
79.05080	3.9
79.05506	51.9
81.07064	93.5
83.04982	9.5
83.08634	15.6
85.06535	5.8
91.05493	36.3
91.12707	2.4
93.06494	3.3
93.07053	54.4
95.04971	8.7
95.08617	62.3
97.06556	13.5
97.10176	5.5
105.07043	33.0
107.04965	3.8
107.08611	31.5
109.06546	5.8
109.10162	22.3
111.08086	3.9
117.07024	10.5
119.08584	25.8
121.10138	16.5
123.08109	3.2
123.11704	10.3
129.07007	3.7
131.07121	2.4
131.08545	15.3
133.10130	17.4
135.08069	3.3
135.11662	12.8
137.13249	3.3
143.08600	4.0
144.79437	2.6
145.10136	11.0
147.11690	13.1
149.09605	5.5
149.13280	13.1
151.11234	3.4
155.08597	3.5
159.11732	9.5
161.13295	4.1
163.11256	3.9
163.14868	3.3
171.11749	4.4
177.12781	2.7
185.13094	3.3
187.11052	2.6
195.13739	3.8
255.15948	8.6
257.19031	7.2
263.23749	3.8
269.17480	12.2
275.20074	21.6
276.23111	2.8
293.21146	2.9
311.26062	3.8
337.27396	74.1
349.23807	16.3
356.20590	2.8
384.14609	3.0
496.26575	3.9
517.38879	18.1
529.38599	3.6
531.40570	75.0
552.33032	3.9
571.43420	3.1
608.39526	5.1
611.46527	10.0
629.47858	3.8
646.50317	7.3
664.51434	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	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
53.42083	1.6
55.05510	12.3
57.03421	7.2
57.07080	3.7
64.78661	1.7
67.05512	47.3
69.07069	12.5
71.08634	22.3
79.05500	39.3
81.03429	2.3
81.07058	45.7
83.04966	4.8
83.08612	8.4
85.06526	2.4
86.82539	1.8
87.04453	2.4
91.05494	21.3
93.07049	52.3
95.04967	4.5
95.08607	35.8
97.06520	7.9
97.10165	3.3
99.08103	12.8
105.07028	14.6
107.04969	3.9
107.08595	28.4
109.10162	11.0
113.09645	2.9
117.07011	5.9
119.08569	11.8
121.10139	22.5
123.08098	2.2
123.11742	3.1
131.08556	7.4
133.10141	10.8
135.11691	19.2
145.10109	5.3
147.11668	4.4
149.09581	2.0
149.13257	7.4
151.11200	6.5
153.12723	1.9
159.11732	4.4
161.13213	10.4
163.11154	3.6
163.14806	4.0
167.10672	1.8
171.11743	2.4
173.13257	3.5
175.14799	2.3
179.12744	3.4
179.14314	47.1
187.14885	2.3
228.84143	2.0
235.16994	2.5
237.86147	1.9
243.21104	5.9
261.22083	6.3
277.21661	36.3
295.22488	2.1
317.24692	6.0
335.25830	47.3
351.25293	35.6
515.37158	2.1
611.46729	100.0
612.46936	2.3
640.25433	1.9
664.47827	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	664.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05510	5.9
55.59721	0.6
57.03443	11.0
57.07080	19.6
59.05005	3.0
60.56874	0.5
61.02927	4.4
65.03927	1.4
65.66943	0.6
67.05507	56.9
69.03430	0.7
69.07066	5.6
69.74096	2.6
71.04981	1.9
71.08636	15.1
72.84550	0.5
73.02901	1.7
79.05484	2.5
80.11568	0.5
81.03422	1.0
81.07057	14.9
83.08620	8.0
85.02907	4.0
85.06536	2.1
85.10177	8.3
87.04452	0.6
89.06029	1.2
91.03950	2.5
91.05499	4.2
93.07041	3.2
95.08609	15.1
97.02888	2.2
97.10161	2.7
99.08127	0.6
105.07046	1.1
107.08581	2.4
109.10162	59.5
111.08058	1.3
117.07026	0.7
119.08579	5.5
121.10130	0.9
123.11710	1.8
133.10100	1.0
135.11740	1.0
137.09666	3.0
137.13293	0.8
142.07982	0.7
145.10155	1.3
155.10689	6.1
173.11752	15.4
179.14333	1.0
221.15421	1.0
229.14363	100.0
230.14827	1.0
239.23753	1.5
257.24670	1.6
277.21738	1.4
313.27371	78.1
314.27692	1.1
353.85287	0.6
394.28534	0.6
412.57336	0.6
467.37363	59.1
468.37592	1.3
546.38654	1.9
566.41431	0.7
664.47479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01881	3.5
55.05322	1.1
55.05516	11.9
57.03440	12.4
61.02924	3.5
63.03150	1.0
65.03928	1.3
67.05505	27.2
69.03436	4.9
69.07063	7.3
69.42184	8.3
71.04983	4.3
72.08112	1.2
73.02921	2.2
79.05070	2.1
79.05495	25.8
81.03421	75.6
81.07058	21.7
83.04984	12.4
83.08620	16.0
84.08168	1.3
85.02908	31.5
87.04456	1.8
91.05481	61.1
93.07046	29.7
95.04967	18.9
95.08612	20.8
97.02882	5.9
97.06515	5.7
97.10186	2.5
99.08086	1.8
105.07024	18.0
107.04956	7.3
107.08587	7.2
109.02893	1.1
109.06513	5.1
109.10156	14.4
111.04466	2.0
111.08102	7.9
113.06021	2.4
117.07031	3.3
119.08585	77.5
120.08080	1.4
121.06507	6.7
121.10170	9.3
122.43528	1.2
123.08078	5.1
123.11716	2.2
125.09676	2.2
127.03905	1.2
129.07008	8.4
130.06531	1.1
131.08588	8.4
133.06483	1.7
133.10132	8.2
135.08055	2.2
135.67882	1.2
136.06209	4.0
137.09619	37.5
142.07771	1.3
145.10193	1.4
147.08072	9.5
147.11696	11.2
149.09595	5.6
152.05701	1.8
157.10126	12.3
159.08023	1.3
163.11139	1.2
165.09120	29.9
165.12767	3.7
175.11212	12.4
183.10205	9.8
193.12248	31.3
211.13306	35.1
239.12788	25.8
249.14838	1.5
257.13861	47.6
267.15915	26.7
285.16989	35.0
285.20242	1.6
316.84567	1.0
329.21042	1.8
337.47760	1.2
339.19522	2.8
357.20667	5.9
375.21725	2.4
413.23221	2.0
431.24332	38.9
449.25351	52.0
450.25885	1.8
467.26407	100.0
611.30225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33381	0.8
52.82195	0.7
53.03941	3.4
55.01867	3.3
55.05510	10.8
57.03441	15.7
59.47139	0.7
61.02932	5.4
65.03942	2.8
67.05505	34.8
69.03439	5.5
69.03754	1.0
69.07071	8.1
70.06582	2.3
70.76604	2.8
71.04999	4.8
73.02914	2.2
79.05499	25.6
81.03422	100.0
81.07059	24.8
83.04983	15.3
83.08156	1.3
83.08623	18.6
85.02908	30.2
85.06554	1.1
86.09669	0.8
91.03945	2.5
91.05485	86.5
93.07047	34.1
95.04972	22.2
95.08609	22.1
97.02892	7.9
97.06536	4.7
97.10167	2.1
99.04469	1.2
99.08094	1.1
103.05449	1.2
105.04563	0.9
105.07034	21.3
107.04961	7.2
107.08601	6.0
109.06532	4.0
109.10156	15.7
111.04466	2.1
111.08068	8.9
113.06006	2.7
115.05465	1.6
117.06998	4.7
119.08585	86.3
121.06502	8.2
121.10145	10.2
123.08068	3.5
123.11722	1.9
125.09633	1.4
129.07028	10.5
131.06966	0.9
131.08575	10.4
133.06514	1.8
133.10139	8.3
135.08081	2.2
137.09622	38.5
142.07741	1.6
145.04878	1.1
145.10165	1.2
147.08052	11.9
147.11690	13.2
149.08574	1.0
149.09592	5.5
155.10794	0.9
157.10132	10.6
165.09129	31.4
165.12756	2.6
175.11201	12.9
183.10173	13.7
193.09619	0.9
193.12256	39.1
211.13298	64.4
227.10727	0.9
232.94942	0.9
239.12767	31.3
249.14899	1.2
257.13858	65.3
267.15921	26.8
285.16971	59.0
311.20093	1.0
321.18326	1.0
329.21387	1.6
339.19577	6.2
357.20499	6.4
375.21725	1.3
405.22781	2.2
413.22977	1.3
431.19778	0.8
431.24292	32.2
449.25381	40.3
467.26419	90.3
468.26913	1.4
590.93127	0.8
600.60291	1.0
611.30670	0.9
652.04919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41162	0.7
55.05503	0.7
57.07083	46.8
57.07343	2.7
57.21983	0.6
67.05476	1.5
67.96110	0.7
69.07034	0.8
71.30031	1.7
74.79062	0.6
77.03982	1.0
79.05450	0.7
81.07014	1.8
83.84556	0.6
87.04427	1.3
91.05485	7.5
95.08572	1.6
98.82277	0.6
105.06979	2.3
107.08553	1.1
109.10098	0.9
115.02001	0.6
119.08548	1.3
133.10066	0.9
147.11700	7.8
147.43544	0.6
152.06168	1.1
153.06995	3.8
183.28584	0.6
185.20172	0.7
228.09370	0.8
229.09935	1.2
233.03699	5.6
251.04718	14.6
307.10962	1.2
327.07831	100.0
328.08173	1.2
363.17038	0.9
381.08301	0.7
383.14093	72.4
384.14297	0.9
439.20364	73.2
440.20761	1.6
495.26630	64.5
496.27051	1.7
531.08368	0.7
551.32910	87.3
552.33038	1.7
607.39154	70.1
608.39868	1.6
628.46875	0.9
663.45416	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	664.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01861	12.5
55.05519	35.8
57.03440	32.5
58.33551	2.5
59.04987	5.4
61.02940	14.2
65.03943	4.7
67.05510	100.0
69.03419	8.8
69.07078	28.7
70.06593	2.8
71.01348	5.2
71.03574	5.4
71.05000	13.0
71.08630	2.5
71.88398	2.6
73.02929	6.8
74.61688	2.2
79.05502	76.6
81.03426	54.3
81.06597	4.1
81.07063	69.5
83.04987	23.2
83.08626	28.8
85.02904	21.7
85.06547	7.7
87.04466	5.7
91.03954	5.9
91.05495	48.7
93.06499	4.2
93.07055	84.0
95.04970	21.6
95.08617	47.0
97.02901	12.9
97.06535	9.9
97.10168	25.1
99.08098	3.3
103.03936	4.8
105.07044	24.6
107.04939	11.7
107.08611	30.8
109.02834	4.1
109.06527	6.2
109.10170	67.1
111.08070	7.3
111.73029	2.4
112.93341	3.1
117.07002	8.7
119.08592	25.5
121.06491	6.1
121.09356	3.5
121.10164	56.1
123.08092	10.0
125.09649	24.2
129.05487	3.5
129.07030	7.3
131.08592	29.3
133.10126	7.8
135.08017	8.7
135.11678	6.7
137.09622	8.7
139.11197	5.4
145.10118	10.6
147.08041	5.1
147.11676	7.9
149.09642	23.4
149.13235	6.6
153.12682	6.0
155.10652	3.9
157.10144	4.8
163.11195	9.8
167.10690	26.8
169.10042	3.4
173.11754	19.1
181.12161	3.0
189.11287	3.3
191.10718	3.7
193.12225	7.8
195.13808	4.2
199.13295	8.4
201.11234	5.8
209.11681	9.8
227.12785	10.9
229.14375	59.7
241.14357	80.3
257.13855	8.9
267.15915	24.7
269.17450	9.2
283.15417	5.5
301.16537	19.5
365.23358	3.5
383.24341	8.3
395.24304	49.9
396.24530	3.3
409.25790	9.7
418.51703	2.9
421.25757	8.2
449.25006	3.5
461.29095	13.3
467.26065	70.7
485.27545	40.2
493.31287	8.2
543.36304	8.8
561.37927	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	662.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01868	6.0
55.05514	34.2
57.03447	16.2
57.07067	8.5
62.82417	2.1
65.03931	4.9
67.05509	92.0
69.03429	3.6
69.07070	35.2
69.94605	2.3
71.04984	7.0
71.08625	2.5
71.95110	2.1
73.13412	2.2
79.05500	75.9
81.03422	3.8
81.07058	100.0
83.04977	10.7
83.08636	16.7
85.06538	4.4
87.04467	29.0
91.05486	60.4
93.07053	91.2
94.36903	2.3
95.04979	12.5
95.08611	63.5
97.06535	9.0
97.10180	4.2
98.20702	5.5
99.08102	4.4
103.05448	3.5
105.04474	3.2
105.07044	40.5
107.04951	4.2
107.08602	51.2
109.06519	3.6
109.10163	21.0
111.08078	3.1
117.07011	23.4
119.05967	2.1
119.08598	33.2
121.06535	5.5
121.10159	35.5
123.08111	5.3
123.11712	7.9
125.09611	4.0
129.07018	7.6
131.08577	31.7
133.10139	28.1
135.08073	7.5
135.11681	25.5
137.09631	4.5
139.11234	2.8
143.08565	10.0
145.10129	23.8
147.07947	3.0
147.11697	14.2
149.09634	8.5
149.13263	15.1
151.11142	5.7
157.10187	4.8
159.11703	19.5
161.13278	5.6
163.11209	6.0
163.14816	2.4
169.10190	3.6
170.79375	2.7
171.11711	4.0
173.13264	9.3
175.14772	3.5
177.12819	3.0
179.14360	6.3
183.11681	3.7
185.13239	3.5
186.30371	2.2
187.14819	2.6
195.13734	6.2
217.15642	3.1
233.19014	3.3
239.17928	4.6
255.15974	7.1
257.18967	6.2
261.22220	8.5
261.72256	2.3
267.15994	3.2
269.17480	15.8
273.18408	3.8
275.20059	21.9
277.21533	6.9
293.20905	3.0
317.24597	3.5
333.24481	3.3
335.25812	75.1
337.27383	4.1
349.23856	16.5
351.25272	5.5
367.24765	3.5
488.38129	3.1
515.37183	17.3
529.38922	70.6
569.41748	9.1
609.45081	17.5
627.46381	16.2
662.44812	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	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
53.12955	3.7
54.91721	3.0
55.01854	6.6
55.05274	3.3
55.05518	34.2
55.53766	3.4
56.92345	2.8
57.03427	10.9
57.07080	15.8
65.03930	4.9
67.05505	84.7
68.05836	3.6
69.07065	33.4
71.08639	44.2
71.17518	7.1
79.05070	5.7
79.05497	63.9
81.03424	6.9
81.07059	83.1
83.04970	12.5
83.08632	20.7
85.06554	5.2
87.04469	50.6
89.06062	3.9
91.05486	77.8
93.07047	100.0
94.07379	5.9
95.04951	15.7
95.08606	59.2
95.27075	3.2
96.08938	5.8
97.06528	11.9
97.10171	7.0
99.08103	30.0
105.07030	54.4
107.04944	11.0
107.08602	54.1
108.08942	4.3
109.06513	8.4
109.10142	14.5
111.08044	3.7
113.09625	5.9
115.85746	3.1
117.07006	17.3
118.50456	3.0
119.08591	45.3
121.06493	5.4
121.10152	39.0
123.08115	3.9
123.11716	4.7
124.75389	3.2
125.09647	4.1
129.07004	8.7
131.08591	25.4
133.10130	40.3
134.10384	3.4
135.11694	39.1
141.09039	4.1
143.08464	4.0
145.10124	17.3
147.08078	3.2
147.11693	21.8
149.09583	7.0
149.13272	17.3
151.11168	15.7
157.10162	8.8
159.11685	15.7
161.13252	25.7
163.11140	4.7
171.11720	10.7
173.13266	7.8
174.10359	3.5
177.12845	5.8
179.14331	99.4
180.14633	12.9
185.13257	9.7
187.14845	5.0
189.12805	3.8
199.14903	5.2
201.16441	3.0
219.17575	3.3
221.15382	4.2
227.12730	3.4
241.19534	20.3
250.41843	3.1
257.18860	3.9
259.20532	24.2
261.22577	3.6
275.20029	13.7
277.21646	64.6
278.22043	16.6
293.21185	33.7
294.21591	24.6
295.22696	4.5
315.23254	11.2
333.24265	55.2
335.25793	10.8
349.23517	4.8
351.25290	48.4
352.25525	9.1
367.24704	10.8
368.24994	8.8
389.48166	3.8
415.77954	3.6
473.93158	4.0
591.14569	3.6
609.45154	90.8
627.45801	6.8
644.45984	47.9
662.46143	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88184	0.3
53.03937	0.8
54.67852	0.3
55.01865	0.5
55.05513	1.9
57.03436	1.4
61.02922	4.2
65.03973	0.3
67.05505	6.7
69.03429	2.5
69.07066	0.9
71.01336	0.4
71.04985	0.7
71.76283	0.3
73.02919	3.2
79.05488	4.7
81.03413	2.1
81.07052	3.9
83.08616	1.1
85.02907	5.2
86.54484	0.3
89.06030	0.4
91.03960	3.1
91.05484	3.1
93.07045	4.8
95.04960	0.6
95.08611	3.0
96.83545	0.4
97.02890	3.7
97.06554	0.5
99.04451	1.0
101.02359	1.6
103.03955	0.4
105.07037	1.7
107.08600	1.8
109.02887	0.8
109.10156	4.2
111.08039	0.4
117.07041	0.8
119.08607	1.9
121.06493	0.4
121.10159	2.8
121.11302	0.3
123.08111	0.4
123.11668	0.5
125.09664	0.6
127.03931	1.4
129.05510	0.4
131.08583	1.4
133.10144	1.1
135.11728	1.1
137.09677	0.5
143.08571	0.7
145.10146	0.9
147.11671	0.8
149.09607	0.7
149.13268	0.5
155.10675	0.4
157.10141	0.6
159.11610	0.4
162.22990	0.4
165.12695	0.4
171.11749	0.4
173.11813	0.6
173.13278	0.7
185.04126	0.4
195.09949	0.8
206.09201	0.4
215.18056	0.4
229.14342	0.3
243.08470	1.3
253.19513	0.7
307.22720	0.7
337.27512	0.5
413.17905	3.6
491.26035	6.5
545.96606	0.3
663.37134	100.0
664.37604	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	662.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01871	1.9
55.05523	3.1
57.03439	3.8
61.02934	7.0
67.05511	7.2
69.03436	2.6
69.07067	1.7
70.06592	4.4
71.01357	0.5
71.04986	0.7
71.51896	0.6
72.08148	1.3
73.02904	3.1
75.04473	0.5
79.05498	6.8
81.03422	74.7
81.07062	7.0
82.03772	0.4
83.04976	3.6
83.08623	19.6
84.04509	0.5
84.08154	1.7
85.02913	10.1
85.06561	0.6
86.09715	2.2
91.03958	8.2
91.05485	9.6
93.07051	4.9
95.01345	0.5
95.04971	23.5
95.08611	1.4
97.02893	7.4
97.06529	0.9
97.10172	1.3
99.04466	1.0
99.08089	0.6
102.45246	0.4
103.03930	0.8
105.07030	6.1
107.04970	5.5
107.08579	2.7
109.06522	2.0
109.10162	0.8
111.04458	1.6
111.08091	10.1
115.03994	0.5
116.07109	0.7
117.07042	0.9
117.51159	0.4
119.04965	0.9
119.08598	8.4
121.06496	2.3
121.10138	4.6
121.44721	0.5
122.07163	0.7
123.04449	2.3
123.08039	1.5
127.03951	2.8
129.07024	7.5
129.10266	0.8
131.08580	5.9
133.06546	2.2
133.10136	4.2
135.11684	0.7
136.06146	0.5
136.07629	0.6
137.06007	0.8
137.09663	1.1
142.07782	1.4
145.04965	4.0
145.06122	0.6
145.06465	0.5
145.10120	1.3
147.04399	1.4
147.08086	2.9
147.11694	6.1
149.09651	4.0
157.10144	9.6
161.05989	0.5
163.06052	7.3
163.11209	1.8
165.12770	1.8
171.11763	0.6
175.11191	13.9
176.11423	0.5
189.05481	0.5
189.12839	1.2
193.12256	61.7
203.03278	0.5
207.13808	1.3
211.13318	5.6
217.12367	0.6
235.13286	3.5
259.13348	1.2
267.15924	34.6
273.14996	1.2
285.16974	100.0
286.17358	1.5
301.14307	1.6
303.18082	0.5
309.16992	16.1
319.15375	0.8
325.11053	0.6
327.18024	2.8
337.16336	0.9
351.18063	3.0
355.17468	0.6
363.18076	5.6
367.17749	0.5
375.18179	2.6
378.08032	0.5
393.18997	3.3
411.20059	2.6
429.21255	8.0
447.22116	1.1
591.26050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01871	11.6
55.05266	3.1
55.05512	32.6
57.03444	16.3
59.04989	2.3
62.06709	1.7
65.03946	4.1
67.05189	2.5
67.05508	38.7
69.03422	5.7
69.07062	8.9
71.04996	4.0
71.08625	8.8
71.52244	3.1
79.05492	33.3
81.03421	82.5
81.07059	35.8
83.04995	15.7
83.08620	36.1
85.02905	2.6
85.06544	3.1
91.05487	37.2
93.07046	32.1
95.04972	50.5
95.08607	17.5
97.02882	4.8
97.06521	5.4
97.10173	26.3
99.08099	9.6
105.07040	25.5
107.04950	19.5
107.08601	27.1
109.06506	8.3
109.10146	10.0
111.04472	12.4
111.08073	12.0
113.09595	3.0
115.05427	2.7
117.07033	10.4
119.04940	2.1
119.08567	18.0
121.06543	9.1
121.10148	16.7
123.08069	5.8
125.09642	25.2
127.71001	1.9
129.07019	11.6
131.08588	15.5
133.06473	4.1
133.10164	11.6
135.08011	6.3
135.11676	10.9
137.09564	4.0
142.07742	2.6
143.08539	4.8
145.06467	2.6
145.10114	11.7
147.08034	6.9
147.11678	12.4
149.09616	13.1
149.13258	2.5
151.11165	3.8
153.09058	7.0
153.12769	4.3
155.08507	2.0
157.10124	10.0
159.11688	4.4
163.11198	25.8
165.12732	8.7
169.10054	3.6
171.11641	2.7
173.09586	3.5
173.11792	2.5
173.13206	5.0
175.11153	9.7
177.12752	5.2
181.12215	4.1
183.11711	2.4
187.11186	2.3
189.11227	11.7
189.12675	3.0
193.12271	22.6
195.13776	4.5
205.12224	4.2
207.13956	2.1
211.13261	3.7
215.14052	2.1
219.13789	7.2
223.13225	5.2
227.12761	10.2
229.14272	3.7
247.20624	2.9
249.14923	3.1
267.15924	100.0
275.20099	28.0
293.21121	63.4
311.22198	3.9
349.23862	10.4
365.23245	2.1
367.24820	34.4
385.25903	15.1
407.24466	4.9
433.25867	2.5
447.27338	8.7
449.30225	4.8
459.27875	2.2
467.31320	8.4
485.32654	4.8
500.34497	2.5
503.33560	3.0
541.35266	19.3
559.36377	75.4
577.37292	54.6
636.40240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.8
54.13199	2.5
55.01863	8.4
55.05276	3.2
55.05515	38.1
55.06820	2.8
57.03440	17.4
57.07076	3.4
59.04969	3.7
61.02932	3.4
65.03901	3.0
67.05509	83.7
69.03434	20.4
69.07065	17.7
71.01331	5.0
71.04976	9.7
71.08630	3.1
73.02919	8.5
77.03898	3.5
79.05498	100.0
81.03423	58.6
81.07059	72.9
82.03700	2.9
83.04977	12.1
83.08630	22.5
85.02907	19.8
85.06518	5.3
91.05484	75.7
91.13937	2.5
93.06489	5.3
93.07049	83.4
95.01344	3.5
95.04968	61.1
95.07992	3.2
95.08604	48.4
97.02914	19.7
97.06516	8.7
97.10152	8.1
99.04450	4.4
99.08080	7.6
103.03927	9.2
103.05450	8.0
105.03320	3.1
105.04509	3.7
105.07033	52.0
107.04977	14.4
107.08608	37.7
109.02866	12.0
109.06516	12.6
109.10162	17.9
111.04420	5.9
111.08056	7.3
115.05457	6.3
117.07034	30.6
119.04951	2.8
119.08585	42.8
121.06523	13.6
121.10146	51.0
123.04438	28.0
123.08054	6.4
123.11693	9.7
125.09608	9.1
127.03942	7.0
128.06209	6.2
129.07001	19.4
131.04942	5.6
131.08554	25.7
133.06464	9.2
133.10146	34.2
135.08037	7.5
135.11682	15.5
137.09608	7.6
141.06989	7.3
142.07768	3.4
143.08653	13.6
145.06483	6.8
145.10123	34.6
147.04401	12.5
147.08057	12.2
147.11703	26.3
149.05920	4.1
149.09610	8.4
149.13275	6.8
153.09084	4.2
153.12735	2.5
155.08545	6.9
157.06488	4.4
157.10127	15.9
159.08029	7.0
159.11734	16.2
161.05962	6.5
161.09497	5.6
161.13258	6.8
163.03906	5.5
163.11189	18.1
165.12819	2.8
167.08589	6.8
169.06541	3.3
169.10110	11.5
171.08078	4.9
171.11703	16.2
173.02420	3.0
173.04495	5.9
173.05920	6.0
173.09634	8.3
173.13286	9.2
175.11186	5.1
177.12849	3.9
181.10016	5.8
183.11708	12.7
185.13298	8.0
187.07506	4.3
187.11212	4.2
189.05473	7.3
189.12743	8.8
191.10637	5.6
193.10237	3.3
193.12259	11.0
195.11726	6.5
195.13716	3.4
197.13292	6.4
199.11176	5.7
203.10820	4.0
203.14381	3.1
205.12326	4.3
207.13797	7.8
211.11349	3.6
211.13194	4.9
213.12769	5.2
213.16399	6.8
215.17967	11.4
217.12366	5.6
221.13155	3.3
225.12866	3.7
231.17426	12.3
233.18988	9.2
235.13295	35.1
255.13910	3.0
259.13333	11.6
267.15973	8.1
269.17310	3.1
273.14896	19.3
277.14474	7.1
279.24777	2.8
283.13300	4.1
289.14365	3.2
289.21548	4.8
301.14255	23.9
305.21240	4.2
307.22678	39.3
309.16946	9.4
319.15530	5.4
324.52969	2.7
341.21152	3.9
349.23352	3.3
351.17999	5.0
375.17886	9.7
393.18958	9.7
395.88535	2.8
407.29333	5.4
409.26004	5.4
411.20056	5.4
481.33328	3.7
499.34152	35.9
502.40292	3.0
541.35541	16.0
583.35596	7.1
607.36261	13.1
625.37024	14.5
643.21967	5.8
643.37421	18.2
661.38770	53.3
661.68127	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	661.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.8
54.13199	2.5
55.01863	8.4
55.05276	3.2
55.05515	38.1
55.06820	2.8
57.03440	17.4
57.07076	3.4
59.04969	3.7
61.02932	3.4
65.03901	3.0
67.05509	83.7
69.03434	20.4
69.07065	17.7
71.01331	5.0
71.04976	9.7
71.08630	3.1
73.02919	8.5
77.03898	3.5
79.05498	100.0
81.03423	58.6
81.07059	72.9
82.03700	2.9
83.04977	12.1
83.08630	22.5
85.02907	19.8
85.06518	5.3
91.05484	75.7
91.13937	2.5
93.06489	5.3
93.07049	83.4
95.01344	3.5
95.04968	61.1
95.07992	3.2
95.08604	48.4
97.02914	19.7
97.06516	8.7
97.10152	8.1
99.04450	4.4
99.08080	7.6
103.03927	9.2
103.05450	8.0
105.03320	3.1
105.04509	3.7
105.07033	52.0
107.04977	14.4
107.08608	37.7
109.02866	12.0
109.06516	12.6
109.10162	17.9
111.04420	5.9
111.08056	7.3
115.05457	6.3
117.07034	30.6
119.04951	2.8
119.08585	42.8
121.06523	13.6
121.10146	51.0
123.04438	28.0
123.08054	6.4
123.11693	9.7
125.09608	9.1
127.03942	7.0
128.06209	6.2
129.07001	19.4
131.04942	5.6
131.08554	25.7
133.06464	9.2
133.10146	34.2
135.08037	7.5
135.11682	15.5
137.09608	7.6
141.06989	7.3
142.07768	3.4
143.08653	13.6
145.06483	6.8
145.10123	34.6
147.04401	12.5
147.08057	12.2
147.11703	26.3
149.05920	4.1
149.09610	8.4
149.13275	6.8
153.09084	4.2
153.12735	2.5
155.08545	6.9
157.06488	4.4
157.10127	15.9
159.08029	7.0
159.11734	16.2
161.05962	6.5
161.09497	5.6
161.13258	6.8
163.03906	5.5
163.11189	18.1
165.12819	2.8
167.08589	6.8
169.06541	3.3
169.10110	11.5
171.08078	4.9
171.11703	16.2
173.02420	3.0
173.04495	5.9
173.05920	6.0
173.09634	8.3
173.13286	9.2
175.11186	5.1
177.12849	3.9
181.10016	5.8
183.11708	12.7
185.13298	8.0
187.07506	4.3
187.11212	4.2
189.05473	7.3
189.12743	8.8
191.10637	5.6
193.10237	3.3
193.12259	11.0
195.11726	6.5
195.13716	3.4
197.13292	6.4
199.11176	5.7
203.10820	4.0
203.14381	3.1
205.12326	4.3
207.13797	7.8
211.11349	3.6
211.13194	4.9
213.12769	5.2
213.16399	6.8
215.17967	11.4
217.12366	5.6
221.13155	3.3
225.12866	3.7
231.17426	12.3
233.18988	9.2
235.13295	35.1
255.13910	3.0
259.13333	11.6
267.15973	8.1
269.17310	3.1
273.14896	19.3
277.14474	7.1
279.24777	2.8
283.13300	4.1
289.14365	3.2
289.21548	4.8
301.14255	23.9
305.21240	4.2
307.22678	39.3
309.16946	9.4
319.15530	5.4
324.52969	2.7
341.21152	3.9
349.23352	3.3
351.17999	5.0
375.17886	9.7
393.18958	9.7
395.88535	2.8
407.29333	5.4
409.26004	5.4
411.20056	5.4
481.33328	3.7
499.34152	35.9
502.40292	3.0
541.35541	16.0
583.35596	7.1
607.36261	13.1
625.37024	14.5
643.21967	5.8
643.37421	18.2
661.38770	53.3
661.68127	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77156	0.7
53.03936	2.2
55.01859	1.3
55.05511	4.5
57.03436	3.8
57.07073	1.7
61.02930	5.0
67.05505	13.7
69.03430	7.8
69.06776	0.6
69.07072	6.4
70.06573	0.9
70.98217	1.1
71.04984	1.5
71.41409	0.6
73.02902	2.0
77.23628	0.6
79.05498	12.2
81.03432	5.8
81.07059	32.9
83.04965	1.7
83.08604	2.8
83.31943	0.6
85.02909	42.5
91.03930	2.0
91.05476	7.6
93.07050	19.3
95.04972	1.9
95.08614	36.5
97.02287	1.2
97.02898	13.4
97.06515	2.6
97.10162	1.5
99.04471	3.9
105.07030	8.1
107.08599	20.9
109.02885	5.5
109.06529	1.5
109.10161	28.0
111.04443	3.4
111.08080	2.3
111.11721	0.8
112.36217	0.8
115.03941	1.0
117.07013	2.0
118.98199	0.7
119.04947	0.6
119.08580	6.5
120.08083	0.7
121.06508	1.5
121.10148	12.0
123.04439	3.0
123.08086	1.6
123.11713	31.8
125.05978	3.9
125.09600	1.4
127.03917	11.0
131.08565	2.6
133.06519	1.1
133.10149	7.3
135.04408	4.0
135.08031	1.3
135.11697	16.6
137.05971	1.8
137.09660	1.3
137.13208	2.3
139.07555	8.4
139.59053	0.6
143.08554	1.2
145.04970	12.9
145.06131	0.5
145.10114	6.2
147.11679	3.2
149.05997	1.2
149.09645	0.7
149.13263	10.7
151.07567	1.6
153.09117	13.5
153.12753	11.7
157.10175	1.3
159.11705	4.0
161.09596	2.6
161.13220	0.9
163.06032	5.5
163.07448	1.3
163.11182	0.7
163.14796	2.2
165.09151	5.3
166.09438	0.9
167.10670	5.1
171.11719	0.9
173.09589	1.5
173.13266	1.8
175.11160	1.4
177.09094	1.9
177.12735	1.1
179.10681	9.5
180.08789	0.8
181.12192	1.3
187.11157	3.4
189.12752	0.7
191.10687	13.0
193.10715	0.7
193.12221	4.6
201.12709	2.1
204.06476	1.0
205.12245	21.9
207.13809	4.4
217.12178	1.9
219.13818	14.9
221.15331	1.9
231.13789	3.8
233.15388	5.8
245.15372	4.1
261.18491	6.2
271.20486	2.6
286.79910	0.7
289.21631	58.4
297.70892	0.7
299.20215	0.9
301.21625	84.5
302.22076	1.0
303.23288	1.2
319.22687	100.0
320.22870	1.1
326.12393	0.9
379.23175	0.8
445.26553	0.8
475.16650	1.1
628.24725	2.7
631.48358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15865	0.8
58.99846	0.8
60.43406	0.7
69.03436	1.5
70.94524	1.0
70.94859	1.4
81.03416	1.6
82.99860	2.4
85.02877	0.9
86.99327	1.4
88.54982	0.9
89.03921	2.1
94.99870	1.3
97.02900	3.1
98.97588	1.0
101.00890	19.0
105.00343	2.0
107.04960	0.9
108.83720	1.0
109.02893	3.9
113.00859	5.6
115.02413	0.9
117.03353	2.6
119.01922	18.3
127.02386	4.3
131.01915	15.0
135.04430	5.3
137.00803	1.2
137.02956	1.3
139.02399	2.3
143.01909	30.1
145.02599	1.6
145.03635	13.0
147.01379	1.2
149.02972	1.7
155.01901	43.4
157.03458	9.6
161.02971	21.7
161.04156	0.8
163.03906	100.0
164.04230	1.0
167.01904	10.9
169.03458	5.4
170.99724	1.0
171.04990	2.8
173.02971	65.3
175.02628	0.9
175.04454	0.8
179.01880	5.3
181.03423	1.1
185.01140	1.9
185.02965	42.5
187.04594	4.4
189.02493	1.1
191.04008	2.0
193.03465	1.4
196.04480	1.6
197.02972	14.3
199.00880	1.9
199.04543	2.6
201.00618	1.3
203.01921	8.2
203.04012	13.5
205.03587	1.2
208.04536	1.0
209.02974	3.6
215.04031	15.3
217.01866	2.5
219.01814	1.0
221.02966	94.4
221.04955	4.8
222.03032	1.9
227.03984	10.5
235.04478	0.9
237.02806	1.0
239.04050	12.1
244.04440	1.1
245.02907	13.2
245.05103	73.4
246.05199	1.4
247.04562	8.9
247.06715	1.4
257.02969	2.7
257.05154	21.4
260.38428	1.0
261.02802	1.3
263.03915	36.8
263.06201	4.9
265.05426	1.2
273.04666	5.0
275.03876	8.0
275.06146	21.0
277.05545	2.0
279.03809	1.0
281.05081	97.2
282.05203	2.3
283.06769	1.7
291.05527	4.3
293.04663	5.8
295.06796	2.0
299.06320	13.3
301.04260	3.0
304.06711	2.6
305.07535	8.4
307.06592	1.2
311.06204	11.6
317.04849	7.6
319.02899	4.8
319.05591	2.8
323.06110	24.9
335.05984	3.8
335.08957	1.2
337.03683	0.9
341.07159	2.6
347.05844	4.2
351.05524	1.0
353.07260	4.4
365.06943	47.7
366.07578	1.1
379.05121	25.7
383.08224	53.0
384.08371	1.5
391.05115	4.1
397.06155	7.3
406.09705	1.2
409.06009	4.7
421.06161	2.0
425.09149	2.4
435.09619	2.5
439.07297	12.2
451.07733	1.1
463.07327	1.4
481.08194	8.0
499.09460	18.4
545.13660	18.1
661.14630	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	659.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15282	0.7
53.03948	2.8
55.01880	0.9
55.05507	1.3
56.96475	0.7
65.03962	0.8
67.05503	1.5
69.03437	1.0
70.06595	2.0
71.52598	0.9
72.08163	0.8
79.05492	2.0
81.03413	1.5
81.07055	1.2
84.08154	1.6
85.02912	1.6
86.09713	1.8
91.05486	13.6
93.07041	11.8
93.07564	1.0
95.04975	3.1
95.08623	1.8
95.12000	0.7
97.02927	1.0
97.06551	1.4
103.05468	11.2
105.04527	1.6
105.07002	1.6
106.06558	0.6
107.04964	32.1
107.08619	1.2
109.02900	1.3
109.06517	0.7
109.10186	0.9
111.04475	0.9
115.05453	3.7
116.05035	0.7
117.03316	0.8
117.07034	1.0
119.04969	5.0
119.08605	0.8
120.08168	0.9
121.02896	1.5
121.06516	89.1
123.04505	0.8
125.06008	1.2
125.09655	2.5
131.04929	14.6
133.02811	0.6
133.06499	1.6
133.10127	0.9
134.06039	2.1
135.04399	1.2
136.07584	13.4
137.05991	16.1
138.09131	4.0
139.05457	1.4
141.03354	1.1
143.04944	2.6
144.04459	1.4
145.02826	0.9
145.06483	1.4
146.06038	5.8
147.04405	1.5
147.08035	0.7
148.07605	1.7
149.05983	1.9
151.03918	9.9
151.05023	1.0
151.07675	0.6
152.07111	3.4
157.02859	0.8
157.10117	0.9
159.04446	1.7
160.05264	5.4
161.05965	5.5
162.05544	4.4
163.07489	3.7
164.07076	13.1
165.07021	1.3
168.05679	0.8
169.06493	0.7
170.05995	0.8
172.07581	1.0
174.05537	1.5
175.07533	9.9
176.04674	4.3
176.07065	8.9
177.05452	1.9
177.06859	0.8
183.04568	0.8
183.08075	2.4
184.05193	2.0
185.02293	1.1
186.03169	0.7
186.05507	1.0
189.05490	8.2
191.07056	12.2
191.08630	1.2
194.07216	1.0
195.04445	4.7
198.05350	0.9
199.07539	1.3
200.07126	3.9
201.05417	29.4
202.08652	2.0
204.06595	2.6
205.06493	1.8
207.08133	1.7
211.07611	2.4
212.04742	6.3
213.05507	0.9
217.04982	2.9
218.08220	3.8
219.06528	1.7
219.13840	1.0
220.05161	0.8
220.09682	2.7
221.05954	1.1
222.06793	2.1
226.06300	0.7
227.07104	2.3
228.06549	2.0
229.05016	11.2
229.08611	2.3
230.08133	2.2
232.09457	0.9
233.06032	1.8
234.07410	1.5
235.07523	4.9
236.08284	0.8
237.09056	6.0
237.14859	2.3
238.06389	0.8
239.07056	1.1
243.10072	1.8
244.07344	2.1
245.04393	1.0
246.07704	1.9
247.07558	0.8
248.04805	1.6
248.09209	1.7
249.05382	0.9
250.06262	1.8
253.08699	1.5
254.09494	0.9
255.15817	1.5
258.07770	0.9
259.09680	100.0
260.04352	0.8
260.10095	1.4
263.07025	5.2
264.08026	2.0
265.04965	1.7
265.08636	10.0
267.10144	2.0
270.11255	43.1
272.12875	5.7
273.16977	1.4
280.07339	3.0
282.08804	4.9
282.11374	0.7
284.10532	1.1
287.20007	1.7
291.06564	5.7
291.09937	1.0
292.07162	0.7
293.07999	1.8
295.09695	0.9
296.09207	0.8
297.11227	5.5
299.12833	1.3
303.13632	0.9
307.09573	2.0
308.07010	1.1
309.11368	1.2
310.10934	1.0
313.10773	2.4
323.09137	23.8
323.12970	1.3
324.12512	1.5
325.10757	5.4
326.13821	6.0
334.10596	0.9
335.09085	0.7
336.12296	5.2
338.14072	1.1
341.10236	1.6
351.08621	0.7
352.11801	15.1
354.13388	19.0
362.10196	1.6
364.11844	7.3
365.15094	1.2
366.13535	1.3
369.09683	7.0
380.11462	1.2
383.16006	1.2
415.15158	0.8
417.21289	1.8
458.16049	5.0
460.17615	22.5
462.19269	3.2
474.16202	1.3
486.15530	14.3
488.17130	16.4
489.20276	7.0
499.18393	2.3
504.16382	1.3
506.18353	2.2
529.19574	1.8
623.24030	6.9
627.24701	3.2
641.24872	1.2
659.26788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01882	4.1
55.05513	45.3
57.03444	14.7
57.07085	21.7
61.36543	1.9
63.15888	2.0
63.67509	1.8
65.03970	2.8
67.05510	64.7
69.07072	53.4
70.48389	2.0
71.05003	3.9
71.08637	23.2
71.30540	2.7
71.46893	1.9
79.05502	18.0
80.77435	1.9
81.03439	2.5
81.07057	43.7
83.04996	4.4
83.08156	3.2
83.08624	48.3
85.06561	2.4
85.10181	4.6
88.07643	3.9
88.11266	2.7
89.06032	10.7
91.05487	16.1
93.07051	31.6
95.04991	4.2
95.08611	19.5
97.06548	4.6
97.10186	37.0
98.98416	2.2
99.08109	6.3
105.07048	8.4
107.08583	18.6
109.10162	34.6
111.08096	6.4
111.11729	7.5
113.09661	2.3
117.07040	4.4
119.08580	8.7
119.13975	1.7
121.10139	11.3
123.11739	5.1
125.09661	9.5
125.13212	2.0
131.08647	3.4
133.08656	3.1
133.10144	5.7
135.11710	6.5
136.06216	12.7
137.09604	3.1
147.11688	4.0
149.13274	8.4
151.11188	4.8
155.10606	2.1
159.11655	3.2
159.63106	1.7
160.77283	1.9
161.13257	2.2
165.12894	2.9
173.11748	7.9
177.11237	4.0
179.29227	2.1
189.11229	3.1
195.13849	3.6
227.12793	21.6
229.14380	40.2
269.17523	24.4
277.21573	9.7
295.22879	2.9
311.25827	100.0
351.25330	19.6
369.26343	7.6
409.33026	8.4
459.27731	3.3
465.35837	44.0
481.35275	3.8
489.39563	3.2
492.49390	2.1
505.38940	68.9
506.39050	2.3
535.76080	2.1
546.38605	2.7
587.46875	25.6
605.47852	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46988	2.9
53.03928	3.9
53.83649	2.7
54.63403	2.4
55.05500	5.2
57.03426	3.6
61.43096	3.1
65.03944	7.0
67.05519	7.3
69.07060	5.9
70.06585	11.9
71.31934	4.3
72.08141	5.5
73.02896	3.3
79.05500	9.0
81.03415	6.9
81.07070	9.7
83.08630	3.4
84.08158	4.1
85.02920	6.1
86.09698	7.9
91.05490	8.8
92.05009	5.0
93.07044	6.2
94.06567	15.4
95.04969	4.6
95.08617	5.5
97.02925	3.1
97.06521	6.7
97.73026	3.3
104.05003	4.4
105.07037	6.8
106.06575	3.6
107.08562	4.6
108.04490	18.8
109.10140	3.2
116.03592	2.6
117.19430	2.7
119.08607	4.8
120.08138	8.8
121.06602	3.3
121.10181	5.2
122.06051	4.9
134.06030	59.3
136.07584	20.8
137.09634	3.9
138.05519	30.5
138.09151	14.5
146.06050	7.9
157.10219	3.5
160.03947	6.7
162.05527	5.0
163.05104	4.3
164.06993	4.0
165.09106	18.4
166.05006	22.3
170.08379	4.4
178.05000	75.6
181.63853	3.5
182.08313	3.6
182.09756	4.2
183.09174	12.4
184.09904	6.3
185.10710	3.6
197.10718	9.9
201.10193	3.3
204.06541	5.5
208.10039	2.9
209.10771	7.7
210.11516	28.8
211.08769	8.5
211.12415	6.8
212.09157	3.9
212.10922	6.0
213.10284	7.9
213.13948	3.6
214.12259	8.6
221.10954	4.5
225.10202	10.4
226.11136	2.9
227.11885	7.5
228.08887	5.4
229.09805	4.4
229.13440	8.2
230.11754	7.8
237.10335	3.9
239.08191	8.5
239.11746	8.8
240.10362	3.5
241.09804	7.2
242.11919	3.8
243.11292	14.6
245.12918	13.5
250.07098	6.2
251.08215	5.4
253.09718	17.2
255.11320	12.8
257.12897	29.0
257.33829	3.0
259.14578	4.2
267.11307	7.5
269.09235	2.9
269.12802	13.8
271.10831	57.4
272.08530	4.6
272.11554	48.3
273.12332	8.7
279.07806	7.1
283.10800	14.8
285.12357	77.9
287.13977	10.0
291.07907	3.1
295.10831	3.9
297.08823	3.7
298.09625	4.2
299.10165	5.4
301.11874	77.4
303.13443	47.7
307.07318	5.7
311.10205	4.9
313.11780	19.4
315.09982	3.8
337.08142	22.4
339.09592	4.3
355.09158	15.1
357.10526	6.0
365.07800	4.8
383.08545	20.5
401.09842	19.3
406.17511	5.5
420.19156	8.6
438.20172	17.5
442.45511	3.3
462.16449	3.3
464.42664	3.4
474.16296	4.2
527.23102	3.0
529.24139	13.1
537.21094	4.2
551.22974	3.4
569.24109	37.2
571.25568	100.0
579.22644	11.7
597.23456	75.6
615.24487	59.3
627.23865	7.7
641.22711	24.3
659.24005	7.4
659.33051	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	658.526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01866	4.0
55.05508	25.3
57.03445	11.4
57.06799	2.1
57.07079	39.9
57.26744	1.5
59.04989	1.9
65.03921	1.8
67.05505	69.4
69.07072	26.2
71.05005	3.1
71.08290	2.4
71.08633	26.1
78.39891	1.5
79.05494	23.6
81.03375	1.9
81.07056	51.0
81.51608	2.0
83.04962	3.4
83.08235	1.7
83.08629	21.0
85.06520	3.4
85.10184	15.5
87.04464	1.6
89.06040	10.3
91.05492	20.5
92.67445	1.5
93.06496	1.9
93.07047	23.2
95.04967	6.9
95.08599	33.7
97.06526	6.4
97.10185	14.6
98.20756	4.5
98.98450	3.0
99.08099	2.8
105.07027	14.5
107.04929	2.1
107.08603	21.5
109.06534	2.4
109.10158	50.1
111.08063	4.6
111.11720	1.9
114.22253	1.7
117.07021	5.0
119.08579	19.8
121.06462	2.4
121.10173	10.1
122.91796	1.6
123.08109	2.0
123.11707	6.7
125.09636	8.3
129.06987	3.5
131.08556	9.4
133.08577	5.4
133.10117	9.8
135.11694	5.0
137.09612	4.5
137.13258	2.1
145.10112	5.8
145.18810	1.5
147.08098	2.7
147.11656	4.9
149.09584	7.1
149.13277	7.2
155.01112	2.9
155.10609	2.7
159.11658	6.6
163.11145	2.4
173.11824	9.3
177.11212	3.4
177.12709	3.2
189.11136	3.8
195.13826	3.2
197.13280	2.2
227.12799	19.4
229.14351	56.2
239.18088	1.9
239.23512	1.9
251.16348	2.8
257.18979	4.6
257.24722	2.5
269.17444	18.4
275.20084	23.3
293.20966	5.4
311.25775	5.2
313.27362	100.0
331.22565	2.2
349.19907	2.6
349.23782	20.2
367.24683	12.3
369.84784	1.7
459.27902	2.0
465.35437	2.4
467.37326	39.8
470.39322	1.8
505.38535	3.5
507.33588	2.2
507.40469	27.0
587.38306	1.8
587.46783	23.8
605.47705	16.4
659.43805	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01875	0.5
55.05517	5.4
57.03443	7.9
57.07090	0.9
61.02935	2.6
65.03944	0.8
65.18008	0.3
66.13553	0.3
67.05511	17.5
69.03452	0.7
69.07070	4.8
69.14857	0.4
69.15160	3.8
71.05002	0.7
71.08633	0.8
73.02924	1.1
74.34014	0.3
79.05501	18.4
80.28995	0.4
81.03452	0.5
81.07063	100.0
82.07394	0.6
83.05010	0.9
83.08634	1.4
85.02911	2.7
85.06551	0.8
87.04456	0.6
89.06031	0.7
91.03981	1.6
91.05490	6.1
91.06033	0.6
93.07051	12.2
95.04987	1.0
95.08617	12.3
97.02905	1.6
97.06547	1.1
97.10174	0.8
98.21513	0.8
99.08101	5.0
103.03963	0.6
105.07030	3.9
107.08596	8.1
109.06540	1.5
109.10168	5.7
111.08076	0.5
111.82883	0.3
117.07035	1.9
119.08589	4.0
121.10162	5.3
123.11734	2.1
127.03883	0.4
127.07570	10.5
131.08569	3.2
133.08559	0.5
133.10155	2.6
135.11694	4.2
143.07010	0.6
145.08635	2.9
145.10112	3.0
147.11705	2.2
149.13266	3.4
159.11713	2.2
161.13295	1.7
163.14856	1.7
168.94972	0.4
173.11969	0.4
173.13210	1.8
175.14824	0.7
177.11317	0.4
177.12770	0.3
177.16376	0.5
185.13249	0.3
187.14835	1.3
189.16287	0.4
195.19414	0.3
199.09657	2.8
201.11235	51.9
202.11705	0.4
243.21097	3.4
261.22147	11.2
317.24796	1.9
335.25830	38.9
336.26236	0.7
351.26172	0.4
353.26459	0.4
369.27591	0.7
387.28998	0.9
443.31555	1.2
461.32648	15.8
462.32617	0.4
479.33682	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	658.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01880	1.5
55.05516	11.4
57.03441	8.8
57.07067	1.8
61.02932	1.9
65.03938	2.6
66.75183	1.3
67.05508	40.8
69.03431	2.9
69.07075	10.6
69.22380	11.9
71.04974	3.7
71.08653	1.6
73.74400	1.5
79.05499	28.6
81.03417	13.9
81.07059	100.0
82.07381	1.6
83.04989	3.5
83.08624	7.3
85.02924	2.8
85.06541	1.7
91.05492	19.2
93.07050	27.8
95.04990	6.3
95.08621	24.6
97.02881	3.2
97.06547	3.9
97.10157	5.9
99.08090	5.9
103.03987	2.5
105.04559	1.4
105.07038	13.8
105.74385	1.4
107.04971	2.4
107.08604	15.8
108.08894	1.6
109.06514	3.3
109.10153	17.9
109.77435	1.5
111.08076	4.4
117.07018	3.7
119.08609	11.4
120.68581	1.3
121.06522	1.4
121.10136	12.2
123.08116	2.0
123.11710	3.4
125.09651	3.3
127.07574	8.1
129.07011	3.8
131.08574	11.6
133.06514	1.9
133.10136	10.3
135.08061	2.1
135.11711	9.1
137.13263	2.9
143.08595	3.4
145.08627	5.2
145.10109	9.3
147.11711	6.3
149.09625	2.9
149.13268	5.7
155.08591	2.3
157.10107	2.7
159.11723	4.2
161.13264	3.8
163.14851	3.7
165.12773	2.5
171.11714	1.8
173.11858	2.6
173.13315	5.9
175.11226	2.8
185.13200	2.5
187.14882	1.6
192.57259	1.4
193.12218	3.9
197.13251	1.4
199.09694	2.9
201.11234	46.8
201.16385	2.2
211.15076	1.5
213.12576	1.4
215.17868	1.6
223.48091	1.5
227.12782	6.4
229.14366	7.0
233.19051	2.0
243.21106	5.8
249.15096	1.6
261.22174	11.9
267.15872	12.4
275.20065	2.4
299.23956	1.4
301.25217	3.8
307.22665	7.5
317.24814	1.5
321.16428	1.5
322.17029	1.7
335.25827	39.1
335.29883	2.0
405.26453	1.4
408.41476	1.5
417.31668	1.7
423.27652	1.8
435.32483	4.8
437.30527	1.4
443.31882	1.8
453.33597	4.6
461.32742	15.5
471.34576	4.6
509.36252	3.0
527.37311	30.3
545.38440	33.9
546.38940	1.7
559.39862	6.8
577.41016	10.1
640.42664	2.7
658.44434	4.0
688.98376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01901	1.1
55.05513	11.5
55.38900	0.8
57.03441	11.6
57.07079	3.3
59.05003	3.3
61.02929	6.7
63.72041	0.6
65.03949	2.7
67.05510	100.0
69.03426	1.8
69.07076	5.9
70.77307	2.2
71.05001	3.7
73.02930	1.7
79.05498	33.3
79.37435	0.8
81.03422	1.3
81.07063	37.0
83.04998	0.8
83.08622	8.6
84.85346	0.7
85.02911	6.5
85.06556	4.1
91.03978	3.5
91.05486	17.5
93.07051	38.4
95.04982	3.1
95.08614	24.6
96.04514	0.9
97.02877	4.4
97.06534	2.0
97.10187	1.8
99.08083	3.6
105.07030	7.3
107.08598	13.7
107.09288	0.8
109.06554	1.8
109.10162	75.6
111.08099	4.6
117.06995	3.8
119.08598	11.3
121.10155	19.8
123.08095	0.8
123.11752	3.5
124.32031	0.8
125.09657	1.5
127.88393	0.8
131.08588	8.2
133.10155	7.6
135.11702	15.4
137.09604	3.9
143.08612	1.0
145.10110	7.9
147.11711	4.4
149.09666	0.9
149.13258	7.2
153.65750	0.8
155.10651	10.8
155.11739	0.9
159.11720	5.7
161.13242	1.3
163.11250	1.1
173.11795	14.8
173.13338	5.0
177.12717	1.2
183.11755	0.9
187.14842	1.3
189.11255	1.0
189.16498	1.0
191.14418	1.2
199.14879	0.9
202.90977	0.8
205.19666	1.9
215.17975	22.0
218.66451	0.9
220.00606	0.8
227.12897	3.1
229.14368	98.0
233.19020	23.9
233.21201	1.3
286.97177	1.0
289.21796	1.5
307.22699	82.1
308.23148	1.8
335.25827	0.9
369.27957	1.4
443.31686	1.6
461.32639	66.1
462.33267	1.4
479.33646	3.6
658.44586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
56.05013	0.2
57.07081	7.3
58.06602	2.1
65.03936	0.9
67.05495	0.7
68.05026	0.4
69.07062	0.2
70.02795	0.2
70.06599	18.1
71.08636	3.3
72.08147	0.7
74.06072	0.3
78.29093	0.2
79.05491	0.5
80.58894	0.2
81.03404	0.4
81.07040	0.8
84.08124	0.6
85.10160	1.0
86.09734	0.3
88.07640	23.5
89.24139	0.2
91.05463	0.4
93.07030	0.8
95.04964	0.4
95.08594	0.3
97.10139	0.3
102.09190	16.5
105.03406	0.4
105.07030	0.5
119.08613	0.3
121.02899	0.4
121.10124	0.3
131.04939	0.6
131.08647	0.3
132.10231	0.6
133.02858	0.3
139.03915	0.3
146.11745	0.5
147.04405	0.7
149.02357	39.0
150.02641	0.3
167.67059	0.2
175.03911	1.2
177.05473	1.0
180.04178	0.4
191.07092	0.3
192.08527	0.2
193.04980	51.1
194.05328	0.3
212.23753	0.8
219.06506	1.5
225.05522	0.8
228.23190	0.2
237.07597	13.0
256.26373	43.4
257.26663	0.5
264.93631	0.3
267.15936	0.4
269.04462	1.9
275.20090	0.3
297.03995	2.8
300.29025	2.2
313.07031	2.9
341.06589	11.0
343.08206	0.5
345.76895	0.2
359.07654	7.9
385.09204	21.9
403.10611	0.3
429.11856	26.2
596.32935	0.4
640.34839	0.8
658.35901	100.0
659.36377	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11601	1.7
55.05510	14.0
57.03435	4.5
57.07068	3.8
58.39838	1.7
59.05030	2.2
60.05648	4.4
67.05190	2.0
67.05515	22.6
69.07079	14.4
69.67654	11.1
71.08632	3.8
79.05495	9.8
81.07046	14.4
82.07413	2.1
83.08632	10.1
85.06526	2.3
87.69726	2.2
91.05479	5.7
93.07052	8.3
95.08613	9.9
97.06520	2.8
97.10174	8.1
105.07029	3.3
107.08591	8.0
108.08963	2.4
109.10158	14.1
111.08070	2.1
111.11761	2.0
117.07028	2.6
119.08598	4.5
121.10178	4.0
123.11650	2.8
131.08600	2.1
133.10152	3.1
135.11705	3.1
145.10068	2.1
147.11710	2.3
150.74347	2.0
173.11728	1.8
179.14348	4.0
227.12741	4.9
229.14317	13.6
230.14621	2.8
233.10747	2.3
260.13306	1.9
267.72519	1.9
275.20026	3.6
277.21616	2.8
286.13794	1.8
311.25806	21.4
312.26154	6.6
318.15955	1.7
326.16455	2.1
337.16003	1.9
349.00546	1.8
349.23489	2.1
363.16010	1.8
364.17130	2.0
367.24884	1.7
375.16104	2.0
377.18109	2.4
378.19104	2.2
379.19205	4.5
381.20740	2.6
391.19424	3.1
393.17078	2.1
403.19693	2.1
405.21082	2.1
406.21912	3.6
407.22849	3.9
408.19290	3.5
409.20233	6.3
421.20135	8.6
422.20981	2.7
423.21796	15.2
433.20563	2.8
435.21945	6.9
436.22650	3.7
437.23685	4.5
446.21216	2.7
449.23569	5.1
451.21304	7.1
454.20056	4.5
461.23267	7.6
463.21002	2.8
465.22922	3.1
465.35663	7.3
466.36111	8.7
467.24750	5.0
477.23178	8.8
478.23306	2.4
479.24683	8.5
481.22049	3.2
489.68002	2.0
493.22040	3.2
494.26636	5.4
495.23935	15.0
496.24738	5.4
505.38806	4.4
506.39474	4.5
507.24097	2.4
508.24915	14.9
509.25760	12.6
510.26648	10.3
511.27158	16.2
521.25592	5.1
522.26453	2.9
523.23242	3.8
525.28369	2.7
537.25043	15.2
538.25574	9.4
545.38379	9.9
549.24573	2.2
551.22925	3.8
553.27740	6.9
565.23938	2.4
570.28650	3.5
581.27740	22.2
583.25470	5.4
585.44263	3.0
586.45410	3.3
597.27228	47.4
598.27649	7.4
603.46130	3.0
604.45587	2.2
613.30249	86.1
625.26575	100.0
626.27032	2.6
657.29059	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	656.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01861	5.1
55.05520	26.9
56.85513	1.7
57.03452	17.2
57.07084	55.1
59.60202	1.8
65.03923	3.0
67.05514	70.4
69.03436	3.4
69.07076	58.5
70.08890	7.7
71.05000	21.8
71.08639	40.4
73.02910	5.8
79.05503	53.9
80.65842	1.8
81.03432	11.0
81.06593	3.6
81.07065	72.6
83.05004	13.5
83.08622	21.9
85.06540	3.8
85.10187	18.5
89.06039	2.7
91.05495	43.2
91.45370	1.9
93.07052	42.8
95.04985	16.1
95.08619	57.0
95.29520	2.2
97.06541	100.0
97.10188	8.8
99.08087	7.1
105.04529	2.9
105.07040	29.9
107.04959	10.5
107.08609	26.5
109.06515	13.3
109.10162	22.6
111.08089	7.2
111.11644	2.1
113.06014	2.3
115.05470	2.9
115.07583	38.7
116.01383	1.8
117.07021	17.6
118.23602	1.9
119.08592	19.9
121.06516	5.8
121.10158	13.4
123.08060	5.8
123.11702	7.9
128.06244	3.3
129.07007	9.9
131.08586	21.5
133.06509	3.0
133.10153	18.3
135.08092	11.5
135.11734	6.3
135.97301	2.0
143.08548	7.8
145.10112	9.3
147.08014	5.0
147.11703	5.7
149.09607	5.1
149.13257	6.1
151.11215	4.9
155.08565	3.4
157.10139	7.2
159.11691	11.3
161.09599	6.3
161.13272	3.1
171.11713	4.3
173.09526	1.7
173.13243	2.1
175.11163	3.7
177.12776	6.4
179.10654	1.7
185.13327	3.6
187.11076	2.7
195.13847	3.2
199.14810	3.2
217.15973	9.4
221.15208	1.9
227.17900	1.9
233.15482	4.6
237.16298	2.3
239.23785	5.5
245.19026	6.6
251.16499	3.1
253.14310	6.0
255.17583	2.5
257.24808	1.9
269.17496	13.7
273.18524	35.3
291.19565	21.5
297.16934	6.1
313.27405	81.8
329.20895	2.4
341.26971	10.7
347.22107	13.1
365.23215	8.8
369.30020	2.2
499.91617	2.1
507.40506	60.4
535.40125	6.0
544.40509	7.1
545.41956	2.2
554.35925	2.0
585.44904	3.7
592.03351	1.8
603.46265	14.9
621.46820	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05516	4.3
57.03449	3.9
57.07079	38.2
59.63205	0.6
60.58078	0.6
61.02930	8.8
67.05504	12.2
69.03419	1.9
69.07072	8.9
69.98927	2.4
71.04984	1.2
71.08636	30.5
73.02908	2.9
75.04477	2.0
77.36719	0.6
79.05471	1.9
81.03412	1.8
81.07059	15.4
83.08625	11.5
85.02912	10.9
85.10186	17.8
89.06036	1.3
91.03957	10.0
91.05472	1.7
93.07049	1.9
95.08610	22.6
97.02885	5.0
97.10178	7.4
98.21494	1.3
99.04456	1.4
99.11733	1.4
101.32957	0.6
105.07029	1.6
107.04901	0.7
107.08553	1.4
107.82357	0.7
109.02854	1.1
109.06519	0.9
109.10171	12.7
111.11713	1.6
111.67987	0.6
117.07040	0.8
119.08601	1.3
121.10139	1.0
123.11699	3.6
127.03915	3.9
129.06967	0.7
135.11684	1.2
137.13214	1.8
145.04987	4.6
147.08147	0.6
151.14818	1.1
159.11728	0.8
163.06030	6.3
165.16443	0.8
221.22757	1.2
239.23694	26.7
257.24731	4.4
259.65118	0.7
291.19208	0.7
296.94339	0.9
313.27374	100.0
314.27582	1.1
331.28412	20.4
475.32642	3.0
557.38660	0.8
593.39197	0.7
623.24622	0.8
637.40826	0.9
655.27606	1.5
655.41718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.51
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15486	1.6
53.03947	3.4
53.53305	1.8
55.01865	3.0
55.05271	2.8
55.05514	38.0
56.29142	1.7
57.03434	12.0
57.07073	15.0
60.05645	7.8
67.05506	58.3
69.03421	2.8
69.07072	45.2
71.05000	3.8
71.08633	10.4
77.02113	1.8
79.05492	26.5
81.03410	1.9
81.06586	3.4
81.07056	44.2
83.04973	4.6
83.08623	39.6
85.06522	3.2
85.10169	4.5
90.51659	1.7
91.05488	20.2
93.07051	30.1
95.04958	2.4
95.08619	23.6
97.06537	5.6
97.10175	33.6
99.08092	2.6
105.07050	14.7
107.04955	4.8
107.08593	20.3
109.06551	2.9
109.10159	33.2
111.08054	6.4
111.11707	4.5
117.07017	6.4
118.65495	1.9
118.92407	1.9
119.08578	12.4
121.06544	2.1
121.10169	13.0
123.08096	1.7
123.11740	3.8
125.09650	6.9
131.08554	7.9
133.10106	10.3
135.08061	3.1
135.11745	9.2
138.45581	2.1
143.08618	1.7
145.10110	6.8
147.11702	6.3
149.09557	3.4
149.13226	6.5
155.10701	2.5
157.10071	2.3
159.11685	4.9
161.13382	2.3
163.11188	3.1
173.11758	7.3
173.13184	2.9
175.11263	1.9
179.14296	3.0
189.11288	3.1
195.13791	1.9
199.54170	2.1
227.12801	14.6
229.14371	34.2
257.18988	4.4
269.17520	13.4
275.20059	21.1
277.21564	2.1
293.20993	3.9
311.25806	100.0
349.23886	15.2
351.24969	2.1
363.45578	2.2
367.24881	11.0
423.21878	3.8
465.35779	34.2
467.36926	4.1
481.35165	5.3
489.38940	2.5
505.38879	41.9
508.24612	3.1
510.25870	2.3
537.24695	5.2
538.25867	2.8
545.38391	3.9
581.27368	3.0
585.45129	27.0
597.26672	9.7
603.46002	18.8
613.30341	14.4
625.26697	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	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61473	0.5
52.60443	0.7
55.05508	1.4
67.05499	2.0
69.07063	1.3
69.15026	5.7
71.97662	0.6
74.69657	0.6
79.05499	1.8
81.03400	0.9
81.07057	2.7
91.05497	1.8
93.01886	0.6
93.07053	1.1
95.08620	0.9
98.21518	1.2
104.20842	0.6
105.07049	0.9
107.04937	0.7
107.08614	1.0
119.08611	1.1
131.08563	0.8
133.10159	0.8
147.11722	0.9
162.89351	0.6
170.97502	0.5
221.90947	0.6
227.18948	0.6
234.64162	0.6
291.19638	1.0
296.95331	0.6
391.19348	1.3
405.21310	0.8
407.22470	3.1
419.18649	1.9
420.19409	0.8
421.20349	1.4
433.20471	4.3
434.21365	3.7
435.21844	8.3
447.17392	0.7
447.22665	1.5
449.19604	1.6
461.19809	1.2
462.20425	4.5
463.21225	3.0
475.21655	1.5
477.23154	1.9
479.20569	1.0
489.23059	0.9
492.31042	0.8
495.23672	1.4
507.22916	0.8
508.24759	2.1
509.25500	2.5
521.25751	11.2
535.27820	0.7
543.36835	0.7
549.25049	15.2
563.26593	2.1
564.27618	1.1
581.27533	2.6
595.29327	8.9
609.27051	10.7
623.28436	2.0
655.31274	100.0
656.31781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01869	10.0
55.05513	54.8
56.71659	3.2
57.03450	13.3
57.07084	14.8
67.05509	32.4
68.36612	2.4
69.03429	3.5
69.07074	44.5
71.04978	4.7
71.08626	10.1
71.26549	3.7
79.05499	29.6
80.57018	2.9
81.03410	9.6
81.07064	58.0
83.04990	13.7
83.08630	42.4
85.02886	2.8
85.06532	3.7
85.10199	4.7
91.05499	18.4
92.05306	2.7
93.07054	31.5
95.04967	11.0
95.08611	22.1
97.06532	10.5
97.10180	44.9
98.20912	3.0
99.08054	3.1
105.07044	18.1
107.04937	9.2
107.08596	21.0
108.63644	2.7
109.06506	10.6
109.10168	11.6
111.04449	11.3
111.08089	7.4
111.11721	5.4
117.07014	11.0
119.08596	19.9
121.06490	3.7
121.10136	16.5
123.08080	14.6
125.09646	19.2
129.07034	3.6
131.08554	11.8
133.10127	8.2
135.08044	7.2
135.11713	9.4
137.08687	2.7
137.09668	4.6
143.08626	6.6
145.10114	10.9
147.08006	10.0
147.11636	5.2
149.09648	6.7
153.09129	3.3
153.12737	3.5
157.10138	5.3
159.11656	5.0
161.09570	7.1
163.11163	13.1
165.09167	3.5
173.09619	4.2
175.11174	4.7
181.12308	3.4
189.11189	15.4
191.10666	4.2
219.21010	2.4
227.12788	19.0
245.13780	2.8
245.19119	3.4
273.18546	30.0
291.19547	50.6
309.20645	7.9
311.25839	100.0
347.22211	11.3
358.12778	3.1
365.23297	26.4
383.24460	14.2
487.37088	3.1
583.43347	3.3
601.44604	40.6
603.13593	3.4
619.45789	44.3
654.30432	3.9
683.12854	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	655.187
Annotation	5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside)
Peak:m/z	Relative Intensity
53.03938	0.3
55.01869	0.3
55.14526	0.1
57.03433	0.9
57.50359	0.1
61.02930	5.6
69.03430	2.2
70.03315	0.5
70.06604	0.2
71.05008	0.3
72.08171	0.2
72.17722	0.1
73.02914	1.6
73.54728	0.1
81.03420	1.0
83.01368	0.1
85.02907	10.9
87.04461	0.2
91.03958	4.3
91.05454	0.1
92.02633	0.4
92.72330	0.1
93.03418	0.4
95.04996	0.2
95.08610	0.2
97.02894	5.1
99.04461	0.6
102.06540	0.2
109.02884	0.8
109.10167	0.2
115.03904	0.4
121.02874	0.7
126.34158	0.1
127.03918	2.3
137.05983	0.3
140.04678	0.6
145.04959	2.7
151.03952	0.9
153.05461	0.6
163.03964	0.1
163.06013	1.3
163.60287	0.1
167.03403	6.4
171.17853	0.1
177.05458	0.2
179.03452	0.3
185.89388	0.1
187.07524	0.1
196.52182	0.1
213.05499	0.1
215.06961	0.3
217.04938	0.4
231.06557	0.7
232.07301	0.5
233.04463	0.1
242.05675	0.9
243.06532	2.6
245.04344	0.6
259.05954	1.2
260.06772	1.3
270.05280	0.1
271.06055	1.6
273.04227	0.2
274.04636	0.3
275.09161	0.2
287.05521	1.8
288.06299	3.2
298.04532	0.3
299.05508	2.6
301.03265	0.2
303.84561	0.1
313.07040	0.2
315.04947	0.3
316.05786	11.6
330.07257	0.2
331.08118	100.0
332.08435	1.3
343.08109	0.2
373.09354	0.3
387.07999	0.1
397.09174	0.5
439.10406	0.2
457.11380	0.2
499.78928	0.1
532.51257	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48187	3.0
53.03940	4.5
55.01881	3.8
55.05514	27.9
57.03437	15.2
57.07065	8.7
57.59661	3.4
59.05002	2.8
65.03948	5.5
67.05508	100.0
69.03436	24.5
69.07072	20.9
71.01347	3.2
71.04979	8.8
71.51846	3.8
71.52273	3.5
73.02911	3.8
79.05073	3.8
79.05499	35.2
81.03431	29.4
81.07063	65.9
83.04969	14.7
83.08637	14.7
85.02888	4.1
85.06547	4.7
91.05492	31.5
92.37081	3.0
93.07040	37.7
95.04980	8.6
95.08617	39.2
97.02884	8.8
97.06544	4.3
97.08442	3.6
97.10176	7.6
97.23856	3.2
99.04440	4.9
103.04025	3.3
105.07039	36.8
107.04915	5.3
107.08601	25.2
109.02860	10.0
109.06506	9.1
109.09471	5.9
109.10167	69.6
111.04456	4.8
111.08057	3.4
112.03670	3.0
117.07027	14.1
119.04860	3.1
119.08597	33.1
121.06500	3.4
121.10147	17.2
123.08070	4.6
123.11697	6.1
125.09630	7.7
127.03902	5.9
129.05490	8.2
129.07021	8.0
131.08565	16.8
133.06537	4.0
133.10164	23.5
135.08075	6.6
135.11693	10.8
137.09695	7.0
141.07011	3.9
142.07774	3.3
143.08583	8.1
145.06476	3.8
145.10101	11.9
147.08067	7.7
147.11638	11.2
149.09601	6.2
149.13300	6.5
155.08527	5.3
155.10706	5.7
157.10107	9.0
159.11688	13.6
161.13289	5.3
163.11224	6.1
163.14838	3.1
169.10149	5.0
171.10284	4.0
171.11690	5.1
173.11720	19.7
173.13213	7.1
175.14877	18.2
176.15080	7.0
177.12846	3.7
183.11746	4.3
184.07368	11.0
187.11084	4.8
189.11243	8.4
199.14745	3.4
203.14270	3.5
211.13080	3.8
211.14967	3.4
213.12816	3.9
221.13287	3.8
227.12755	10.8
229.14351	49.7
245.13759	5.7
259.20773	4.5
261.22238	3.9
277.21689	3.4
299.14844	4.8
300.39172	2.8
301.21674	6.3
303.22916	4.3
335.25943	7.0
337.27374	5.4
351.23102	11.6
353.24689	3.4
369.24442	18.2
373.18585	5.3
387.25287	8.8
405.26315	5.3
443.27979	7.0
456.52615	3.7
461.29456	5.7
479.30151	9.4
489.35785	8.4
597.37842	12.6
615.39056	16.5
633.40015	44.6
651.41418	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	653.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64209	0.3
51.33744	0.3
54.22399	0.4
55.05509	1.1
57.07075	0.8
58.06603	6.0
63.26812	0.3
67.05505	0.8
69.07087	1.7
70.06606	0.5
70.84369	0.7
72.04552	0.3
72.08162	3.1
73.06568	1.9
79.05490	0.5
81.07050	0.7
83.04987	1.6
83.08618	0.3
84.08167	0.3
84.53085	0.4
85.08927	0.4
86.09711	29.1
91.05470	0.3
91.12983	0.3
91.76648	0.3
93.07043	0.3
93.16968	0.4
95.08658	0.8
97.10197	0.4
98.06065	0.4
98.09706	0.4
100.11263	100.0
101.06013	2.1
101.14072	0.4
109.10154	0.6
119.08593	0.4
126.09100	0.3
128.10765	0.6
146.11746	2.4
154.12387	0.8
154.15924	4.0
168.13882	1.2
172.13402	2.1
182.15466	0.6
186.15048	1.1
200.16461	1.8
210.37950	0.3
213.18510	0.4
214.14449	1.4
225.16112	0.4
228.15955	5.9
230.45132	0.3
240.62204	0.4
245.18819	0.4
285.21753	5.1
303.15088	0.4
309.21735	0.5
313.21320	0.3
313.24838	7.3
327.22968	0.7
341.24368	11.4
409.27042	0.5
426.33569	0.7
454.32727	3.0
458.32413	0.5
472.33899	5.8
481.35666	0.7
498.35455	0.8
512.37231	0.4
526.35059	0.8
540.36743	1.3
625.45349	35.6
626.45721	0.8
653.44977	14.1
654.45740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.8
55.01871	6.5
55.05516	53.4
57.03244	1.4
57.03449	16.2
57.07084	16.9
65.03954	3.8
67.05511	53.3
69.07072	100.0
69.37855	1.5
70.06601	5.6
71.05003	23.0
71.08634	11.5
71.52689	1.9
73.02930	5.1
79.05501	57.8
79.31242	1.5
81.03419	11.0
81.07061	51.0
83.04980	13.0
83.08624	46.7
85.02930	1.9
85.06551	3.4
85.10195	3.7
91.05488	41.4
93.07050	42.6
95.04980	14.4
95.08615	28.5
97.06538	92.4
97.10167	35.4
99.08109	4.8
105.04556	3.1
105.07040	26.1
107.04957	6.4
107.08598	25.1
109.06512	13.5
109.10149	11.8
111.08089	6.1
111.11729	8.5
115.07571	31.9
116.07107	9.0
117.07030	17.1
119.08586	15.6
121.06519	7.0
121.10147	16.1
123.08080	4.3
123.11710	2.4
125.09640	2.1
128.06274	2.1
129.07034	6.5
131.08565	16.1
133.06540	3.1
133.10129	19.1
135.08070	10.1
135.11722	9.2
143.08580	4.9
145.04175	1.7
145.10138	9.2
147.08037	5.7
147.11681	5.8
149.09692	4.4
149.13264	8.2
151.11169	4.4
157.10139	5.3
159.11688	8.8
161.09666	7.0
161.13284	2.0
163.11203	2.9
164.01654	1.7
171.11694	4.3
173.13330	2.6
175.14801	1.6
177.12790	7.6
183.11656	1.5
185.13240	3.8
195.11917	2.6
195.13780	3.8
199.14799	1.8
202.91290	1.5
217.15915	7.5
221.15399	2.3
227.17886	3.8
233.15421	3.7
235.16779	2.1
237.22202	5.2
245.19116	6.0
247.17177	2.1
253.14389	7.5
255.17471	5.1
269.17526	8.4
273.18521	25.7
291.19556	17.2
297.16992	5.0
307.19254	2.8
311.25839	71.6
329.20932	1.9
339.25400	1.6
347.22278	8.9
358.98126	1.7
365.23328	12.2
367.28458	2.2
372.72781	1.8
491.37534	3.8
505.38940	58.8
507.36728	3.3
533.38342	5.8
559.39227	2.0
575.42511	2.3
583.43506	6.4
601.44647	19.0
619.45490	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01871	5.7
55.05516	30.5
57.03447	13.1
57.07069	3.5
59.04981	3.0
63.00064	2.5
65.03920	4.8
67.05512	100.0
69.03434	27.7
69.07069	17.8
69.43853	15.9
69.99685	2.5
71.05000	9.2
79.05508	32.1
81.02994	4.0
81.03436	43.2
81.07065	58.5
83.04988	21.3
83.08615	15.9
85.02910	4.3
85.06543	5.5
91.05496	30.0
93.07057	40.6
95.04976	7.3
95.08609	48.9
97.02900	12.6
97.06540	5.6
97.10179	11.7
98.20792	6.2
99.04484	4.1
105.07040	27.8
107.05009	4.0
107.08596	26.8
109.02900	8.7
109.06505	5.2
109.10168	71.7
111.04453	7.5
111.08124	3.7
117.07039	15.0
119.08576	24.6
121.06524	3.8
121.10160	17.7
123.11711	8.5
125.09637	12.7
127.03905	7.0
129.05496	9.2
129.07039	10.9
131.08589	16.2
133.10155	16.3
135.08047	5.5
135.11714	10.2
137.09659	4.0
143.08589	9.8
145.10132	16.0
147.08041	4.0
147.11707	10.5
149.09665	5.3
149.13289	8.2
155.10728	4.7
157.10147	8.1
159.11758	10.1
163.11212	3.7
163.14850	3.3
165.12798	3.4
169.10191	5.2
171.11726	6.3
173.11766	18.0
173.13322	8.4
175.11311	4.3
175.14894	3.7
183.11760	6.2
185.09628	4.2
185.13298	4.6
187.11221	3.5
187.14880	5.2
189.11237	7.2
195.11813	3.9
201.12927	2.9
215.14261	3.4
227.12854	8.3
229.14325	38.8
245.13795	4.2
259.20651	3.3
261.22128	9.0
263.23874	2.6
277.21759	4.7
289.21698	3.0
299.15082	2.5
301.21786	7.3
335.25787	11.3
337.27356	7.7
345.24173	3.1
351.23102	7.7
369.24240	10.1
371.17023	3.2
373.18573	8.7
375.25427	3.9
375.76935	2.9
387.25485	5.5
405.26236	7.7
443.28064	5.0
461.28989	10.0
479.30527	3.8
489.35669	6.3
575.45569	3.0
585.39648	3.4
597.38153	6.8
615.38995	9.3
633.40027	44.3
651.40906	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	650.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95813	0.2
56.05036	0.8
58.06611	0.4
60.08167	6.0
67.05505	0.8
69.75911	0.7
69.76325	0.3
71.07380	3.1
81.07059	0.7
83.08637	0.3
86.09709	30.2
91.05502	0.3
93.07024	0.2
95.08614	0.3
98.98466	2.5
104.10753	1.9
107.08622	0.2
109.10170	0.4
120.31580	0.2
125.00011	19.7
133.10146	0.2
147.11819	0.2
178.85468	0.2
184.07347	100.0
196.93591	0.2
214.65865	0.2
234.20540	0.2
585.80536	0.2
650.43921	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01875	5.7
55.05515	28.6
57.03447	11.4
57.07063	4.8
59.04991	2.3
65.03951	3.4
67.05511	100.0
68.69907	2.1
69.03434	25.3
69.07069	12.9
69.45279	15.1
71.05000	6.6
79.05495	35.6
81.03425	45.5
81.06600	3.4
81.07063	52.7
83.04976	13.5
83.08640	12.9
85.02889	5.7
85.06550	7.5
91.05486	27.6
93.07049	34.7
95.04974	7.2
95.08611	42.1
97.02908	11.8
97.06532	6.7
97.10194	16.2
99.04462	5.7
99.08089	3.6
105.04525	2.7
105.07031	20.7
107.04990	3.8
107.08595	21.8
109.02885	7.3
109.06507	5.8
109.09475	4.4
109.10174	62.9
111.04462	7.2
111.08094	4.2
117.07044	12.5
119.08581	21.6
121.06498	4.8
121.10152	14.6
122.64843	2.2
123.08064	3.8
123.11722	6.5
125.09629	11.1
127.03924	7.7
129.05495	6.9
129.07018	9.0
131.08583	17.3
133.06483	3.4
133.10136	13.2
135.08049	4.5
135.11703	7.3
137.09639	3.1
137.13266	3.3
143.08549	6.5
145.06529	3.1
145.10194	10.9
147.08096	3.2
147.11687	9.3
149.09631	3.5
149.13205	5.7
155.10628	4.3
157.10155	7.0
159.11693	11.8
161.09656	4.1
161.13261	2.9
163.14827	2.5
165.04770	2.3
169.10252	3.7
171.11678	4.9
173.11743	15.4
173.13203	5.3
175.14734	2.5
177.12813	2.5
183.11760	5.0
185.09749	2.6
185.13380	3.5
187.14771	4.4
189.11244	7.0
199.11295	2.7
199.14836	3.9
201.16518	2.8
211.13174	3.3
221.64299	2.2
227.12724	11.4
229.14316	31.3
239.14368	2.9
245.13826	3.1
261.22079	7.0
277.21661	3.2
301.21588	2.7
319.22610	3.1
323.33005	2.3
327.22949	2.4
335.25760	8.3
337.27490	4.9
343.51343	2.5
344.17685	2.6
351.23129	4.6
369.24265	10.4
371.16837	5.3
373.18637	5.3
387.25378	5.7
405.26318	4.6
443.28201	6.6
461.29120	7.4
479.30164	3.4
489.35928	5.1
507.36600	3.5
597.37836	6.1
615.38947	9.4
633.40009	31.8
651.40509	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01870	4.7
55.05515	30.2
57.03439	11.4
57.07065	6.2
59.04986	2.3
62.10517	2.0
65.03946	4.6
67.05509	100.0
67.90102	2.4
69.03431	27.5
69.07074	14.9
71.04993	6.3
79.05501	30.1
81.03422	48.2
81.07061	61.2
83.04544	3.0
83.04984	22.3
83.08631	12.4
85.02896	6.0
85.06543	3.8
91.05479	28.6
93.07048	36.1
95.04955	8.3
95.08618	35.4
97.02905	13.9
97.06538	3.7
97.10172	13.1
99.04467	5.9
99.08043	2.3
99.39723	2.2
105.07030	23.2
107.04965	4.4
107.08597	26.8
109.02881	8.4
109.06516	5.6
109.10163	54.4
111.04408	9.6
111.08076	5.2
114.36650	2.0
117.07034	13.1
119.05012	2.8
119.08586	22.4
121.06512	4.4
121.10138	15.7
123.04478	3.3
123.08032	3.6
123.11709	5.7
125.09628	11.0
127.03924	7.1
129.05502	9.7
129.07011	11.5
131.04921	2.5
131.08559	16.8
133.06490	3.3
133.10146	13.9
135.08035	3.4
135.11687	8.7
137.09618	4.0
137.13264	2.0
139.11224	4.2
143.08562	7.6
145.10114	13.8
147.08057	2.7
147.11700	10.6
149.09637	4.9
149.13274	5.0
153.09137	2.9
155.08586	5.1
155.10693	3.8
157.10144	8.7
159.07997	2.9
159.11690	10.9
159.59087	2.3
161.13281	4.2
163.14854	3.3
167.08493	1.9
169.10152	3.4
171.08064	2.7
171.11684	6.1
173.11723	16.1
173.13264	7.9
175.11227	2.6
177.12785	2.4
181.10115	2.1
183.11736	3.0
185.09500	3.3
185.13280	5.1
187.11250	2.5
187.14896	4.7
189.11226	8.7
197.13208	2.9
213.12833	2.4
227.12781	13.3
229.14337	31.5
237.39864	2.7
243.21265	2.3
243.82462	2.3
245.13910	3.3
261.22128	8.8
263.23703	4.3
299.14835	3.2
301.21597	5.7
319.22736	2.9
323.23547	2.3
327.23227	3.3
335.25864	18.0
337.27310	9.2
351.23163	6.4
355.17584	2.5
369.24210	8.7
371.16974	7.5
373.18594	9.6
387.25208	6.2
405.26318	4.4
443.27667	3.9
461.28967	4.8
479.30212	3.0
489.35678	8.2
507.36768	5.0
573.38312	2.9
597.37750	5.9
615.39252	9.6
633.39844	34.4
651.40527	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01865	2.3
55.05505	2.3
57.03440	4.8
57.07076	0.8
61.02929	19.8
61.27485	0.7
67.05504	4.6
69.03436	14.9
69.07080	1.0
69.79321	3.8
71.04987	2.2
73.02917	8.0
79.05499	3.2
81.03419	7.7
81.07063	3.5
83.04981	1.2
83.08624	1.2
85.02910	100.0
87.04476	2.2
91.03959	24.0
91.05482	3.9
93.07056	3.4
95.05006	2.1
95.08614	2.1
97.02895	27.4
97.10155	1.2
99.04469	4.2
103.03949	1.3
105.07040	3.1
107.05019	1.1
107.08591	1.6
109.02893	7.6
109.06514	0.7
109.10180	3.0
111.08097	1.2
112.68521	0.7
113.92800	0.7
115.03915	1.3
117.07028	1.6
119.08594	2.6
121.06540	0.9
121.10166	1.6
123.08106	0.9
125.09644	1.5
127.03919	31.3
131.08566	1.4
133.10149	2.3
135.08066	0.9
143.08539	0.9
145.04967	66.0
145.10146	2.1
151.07594	1.1
151.11057	0.9
157.10184	1.0
163.06024	47.9
164.07672	0.7
171.11679	1.6
175.66811	0.7
181.12273	0.9
183.73157	0.8
183.92949	0.7
204.08786	1.7
206.69945	0.8
221.15486	0.8
271.08316	1.4
289.09204	2.6
325.11310	10.3
649.39783	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12324	3.6
53.03944	11.0
54.05351	3.7
55.01868	7.5
55.05507	14.1
57.03427	13.4
57.07068	11.2
61.02941	26.4
64.58277	4.0
65.03944	5.1
67.05508	96.9
69.03423	12.2
69.07056	14.8
69.33173	36.4
70.06593	5.4
71.04992	7.4
73.02921	8.5
79.05087	5.5
79.05506	73.2
81.03408	11.3
81.06594	5.7
81.07064	93.6
82.12018	3.8
83.04975	10.4
83.08624	15.0
85.02909	33.5
85.06537	8.6
91.03975	23.1
91.05486	49.7
93.07051	96.0
95.05006	19.1
95.08613	77.2
97.02892	18.9
97.06559	7.8
97.10155	8.1
98.45603	3.9
99.04484	6.1
99.08099	7.4
103.03946	4.9
103.05409	3.9
105.07049	47.9
107.04933	7.5
107.08605	60.9
109.02892	5.6
109.06521	12.6
109.10168	42.9
111.08089	9.6
112.50938	3.7
113.09660	3.8
117.07004	13.9
119.08589	35.4
121.06436	5.3
121.10155	61.8
123.08083	10.1
123.11709	28.0
125.06004	5.2
125.09604	6.9
125.10453	3.8
127.03896	11.9
129.06960	9.2
131.08562	45.4
133.10129	38.4
133.98187	4.3
135.08003	7.4
135.11713	63.1
137.06059	3.7
137.09630	9.5
141.07108	3.8
143.08617	4.9
145.04970	13.5
145.10106	26.1
147.08046	5.6
147.11656	23.4
149.09579	10.3
149.12192	5.1
149.13280	44.2
151.07541	6.0
151.11125	7.9
157.10126	9.9
159.11717	35.4
161.13272	7.7
163.06041	18.4
163.11180	12.9
167.10738	6.5
173.13312	22.1
175.14809	4.7
177.09084	4.8
177.12738	5.9
181.12215	5.5
183.11777	5.7
185.13226	4.2
187.14865	5.8
189.12703	5.0
191.14302	7.0
205.16025	4.5
205.19533	12.7
215.17967	96.9
221.15349	9.9
233.19031	100.0
251.20026	5.3
307.22748	34.0
325.23764	38.8
469.27646	9.4
555.56335	4.0
631.40234	5.1
649.41266	22.4
649.59100	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	645.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51117	0.4
52.78679	0.4
53.03946	2.7
53.78047	0.5
55.01854	2.0
55.05514	14.2
57.03447	3.1
57.07057	2.2
59.38106	0.5
65.03929	1.8
67.05505	42.7
69.03413	0.6
69.07072	13.4
71.04976	1.9
71.08634	38.3
77.03931	0.8
79.05495	48.1
81.03422	5.9
81.07057	48.9
83.04989	8.0
83.08622	8.7
85.06538	2.7
85.10154	0.5
91.05482	29.6
93.07046	57.9
95.04377	0.6
95.04974	9.0
95.08607	33.4
97.06535	9.5
97.10165	3.0
98.98458	1.1
99.08097	24.6
101.03823	0.5
105.04515	1.1
105.07033	20.1
107.04957	7.9
107.08595	29.7
109.06513	4.1
109.09485	0.6
109.10172	11.3
111.08085	2.8
111.11717	0.7
113.09671	2.8
117.07011	4.8
119.08585	17.5
121.06508	1.5
121.10146	25.4
123.08056	2.1
123.11692	2.0
125.09585	0.6
129.06995	2.9
131.08580	5.0
133.06435	0.8
133.10138	13.6
135.08020	1.0
135.11691	33.3
137.09618	3.8
139.11197	1.1
141.09087	4.0
143.08517	2.4
145.10124	5.2
147.08037	0.7
147.11711	5.6
149.09648	1.0
149.13254	8.8
151.11179	14.6
153.12773	0.8
157.10114	2.1
159.11714	3.3
161.09624	0.7
161.13277	13.2
163.11169	7.8
163.14801	1.5
165.12717	1.2
167.10713	2.3
171.11653	2.7
173.13237	2.0
175.14809	1.7
177.12762	3.2
177.37314	0.5
179.14316	100.0
181.12242	0.9
185.13304	2.3
189.12779	2.4
193.12216	0.9
194.86783	0.6
195.13811	1.8
199.14832	1.4
207.13922	1.0
213.16414	0.5
217.15831	0.6
221.15411	2.6
231.17485	0.7
235.16878	3.5
241.19498	1.7
259.20569	3.7
277.21631	70.9
278.21902	1.0
289.97113	0.5
295.22708	3.4
311.25604	0.7
351.25305	53.3
376.28769	0.5
402.17557	0.5
449.32809	0.8
529.39093	1.6
533.37909	0.7
627.46185	74.5
628.46442	1.7
645.46558	1.1
646.36749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.30231	0.4
56.70776	0.3
57.03436	1.0
57.07082	2.0
67.05500	1.1
69.07059	0.7
71.01341	0.9
71.08622	1.3
75.57104	0.4
79.05521	0.7
79.09684	0.4
81.07059	1.4
85.10188	0.6
93.07037	0.6
95.08614	1.5
109.10148	0.7
135.61577	0.4
147.06284	0.4
224.74767	0.4
271.71732	0.4
313.27386	1.1
335.21899	6.4
391.24591	4.3
535.43640	0.8
647.48584	100.0
648.48914	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	645.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01873	8.5
55.05515	42.3
57.03438	6.2
57.07083	8.0
65.03943	3.1
67.05511	65.8
69.03439	5.1
69.07081	22.9
71.04993	3.6
71.08637	20.2
71.12571	5.4
75.04479	5.0
75.87959	2.2
76.56433	2.5
79.05498	46.1
79.05922	4.0
81.03429	6.1
81.07069	60.6
83.04983	11.2
83.08630	23.4
89.06036	3.0
91.05501	39.7
93.07052	46.7
95.04990	9.5
95.08616	37.1
96.92300	2.6
96.94028	3.0
97.06561	9.3
97.10192	24.2
99.08114	11.5
105.07043	41.4
105.11224	2.6
107.04941	4.9
107.08600	33.9
109.06493	4.2
109.10181	17.9
109.35143	2.5
111.08092	3.9
113.09645	3.4
117.07043	16.3
119.08575	26.1
121.10169	19.5
123.08099	4.3
123.11700	5.3
125.09641	22.7
129.07019	10.7
131.08598	29.9
133.10138	15.9
135.08044	5.9
135.11688	14.6
141.07040	3.3
143.08557	10.5
145.10130	17.0
147.11673	15.9
149.09547	3.0
149.13251	5.6
151.11195	9.1
153.09175	3.5
154.03777	2.8
155.08557	5.9
157.10101	8.4
159.11717	12.0
161.13260	11.0
163.11179	3.4
163.14815	5.5
165.12817	4.8
169.10097	4.7
171.11673	5.2
171.85419	2.4
173.13301	8.1
175.14867	7.1
177.12823	5.7
179.14348	22.7
183.11684	3.5
185.13275	6.5
187.14867	7.1
189.11172	12.3
189.16470	3.1
197.13297	6.5
199.14809	2.7
201.16426	2.8
209.13120	3.1
213.16443	5.4
221.13364	2.5
227.12802	22.8
241.19591	3.9
243.21123	6.7
257.22672	5.6
259.20572	4.9
261.22110	7.1
273.22269	4.3
275.20059	4.9
277.21542	28.6
285.22195	3.3
287.23685	2.9
291.15140	2.8
293.21143	42.7
301.25247	8.9
303.23328	4.5
335.25912	11.8
347.59836	2.8
351.25394	11.4
367.24850	17.8
367.29269	3.7
383.33109	12.5
414.52563	2.8
471.35208	3.3
513.35815	6.8
513.82007	2.8
527.37482	29.7
531.36932	7.5
535.41553	6.3
545.38690	15.8
553.42896	6.4
571.43628	3.3
607.36493	2.8
609.45099	11.4
627.46198	100.0
645.47192	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	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.07078	1.6
67.05498	1.8
69.07070	2.8
69.84822	2.4
71.08634	0.5
79.05492	0.9
81.07059	1.8
83.08624	1.8
85.10202	0.6
89.06019	0.6
89.17181	0.4
91.05511	0.7
91.57034	0.5
93.07053	1.4
95.04998	0.5
95.08656	1.0
97.10161	1.1
107.08625	0.5
109.10165	1.1
119.87558	0.4
121.10175	0.5
125.09666	0.4
138.53662	0.6
149.13313	0.5
155.60007	0.5
173.77187	0.4
187.70558	0.4
190.51598	0.5
216.99329	0.5
274.03284	0.4
311.25928	0.8
335.21927	6.3
379.96283	0.4
391.24487	2.9
470.53635	0.5
513.83759	0.5
533.42072	2.7
548.34369	0.5
555.01636	0.4
645.47046	100.0
646.47388	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01867	6.4
55.05272	2.6
55.05515	34.2
57.03434	7.9
57.07077	6.9
59.04995	1.7
65.03956	4.2
67.05508	75.3
69.03428	3.0
69.07066	26.6
71.05009	3.4
71.08634	58.8
75.04493	1.6
79.05496	66.8
81.03426	12.1
81.07059	92.8
83.04974	11.6
83.08617	23.8
85.06553	2.9
89.06019	1.6
91.05484	54.1
93.07049	83.6
95.04969	15.8
95.08607	59.7
97.06544	14.5
97.10174	12.2
99.08103	38.7
99.08759	1.8
105.04518	3.8
105.07029	43.9
105.07696	2.9
106.07408	1.8
107.04970	9.1
107.07881	2.6
107.08600	46.4
109.06497	7.6
109.10163	21.7
111.08106	7.5
113.09653	6.0
117.07034	13.5
118.81966	1.6
119.08589	33.5
121.06499	5.0
121.10146	34.3
123.08065	5.6
123.11707	6.1
125.09627	8.6
129.07016	7.4
131.08588	17.2
133.06511	2.1
133.08604	2.3
133.10129	24.5
135.08075	4.7
135.11697	36.3
137.05988	2.0
137.09625	4.8
137.13242	1.7
138.23265	1.6
139.11227	1.6
141.07019	2.7
141.09105	5.1
141.12796	1.5
143.08556	7.7
145.10143	14.2
147.07970	1.9
147.11697	14.0
149.09639	2.7
149.13254	14.0
151.11192	33.3
153.12741	2.9
155.08556	1.7
157.10139	5.4
159.11720	7.7
161.09610	3.3
161.13249	21.5
163.11160	16.4
163.14844	3.7
165.12793	4.3
167.10696	2.1
169.10208	2.0
171.11717	5.6
173.13271	7.2
175.11215	1.6
175.14876	5.7
177.12724	4.3
177.16522	1.4
179.14313	98.4
181.12193	2.4
183.11734	3.1
185.13338	4.1
187.14796	3.8
189.11214	3.7
189.12747	2.3
189.16415	2.6
195.11775	1.7
195.13844	4.1
197.13245	2.3
199.14926	3.4
207.13884	3.0
213.16469	2.7
221.15398	4.0
227.12685	10.6
231.17514	2.2
235.16940	4.2
241.19493	5.8
243.21227	2.6
251.16298	2.1
259.20514	11.3
273.18506	1.9
275.20096	4.7
277.21628	100.0
278.22028	2.2
291.19519	2.9
293.21042	11.3
295.22726	6.9
301.25250	3.6
335.25885	5.5
351.25330	78.5
367.24930	4.7
449.32660	4.1
471.34610	2.3
489.35846	3.5
513.35980	3.7
527.37231	9.5
529.38751	6.2
545.38379	44.0
553.42419	1.9
609.44720	5.4
627.46216	88.1
645.47174	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	644.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	15.0
55.01862	11.3
55.05281	2.9
55.05516	45.0
57.03443	18.4
59.08659	2.9
65.03909	4.1
67.05508	81.9
69.03423	6.9
69.07070	35.7
71.04984	15.7
79.05492	63.0
81.03424	100.0
81.07059	80.0
82.50845	2.5
83.04980	15.8
83.08620	36.7
85.02901	4.4
85.06539	8.0
91.05477	65.8
93.07037	64.6
95.04969	44.8
95.08611	35.9
97.06540	15.0
97.10162	24.9
99.08064	3.8
105.07036	54.5
107.04967	16.1
107.08607	42.3
108.22875	2.8
109.06499	15.0
109.10164	21.7
111.04377	4.7
111.08087	11.0
113.09578	3.0
115.05428	4.2
117.07021	20.4
119.08590	37.7
121.06498	11.8
121.10138	22.5
123.08060	9.6
123.11753	4.3
125.09605	22.9
129.02303	3.1
129.07011	20.5
131.08578	32.9
133.06496	4.3
133.10141	28.0
135.08051	10.9
135.11691	10.5
137.09644	5.4
142.07726	5.5
143.08531	6.8
145.06485	5.5
145.10104	17.2
147.08003	9.4
147.11713	22.8
149.09673	15.8
149.13243	5.6
151.11198	5.1
155.08623	3.8
157.10136	17.2
159.11676	15.3
161.09633	4.8
161.13295	4.9
163.11197	13.4
165.12778	4.6
171.10204	3.1
171.11591	5.6
173.13240	6.9
174.93959	3.3
175.11159	10.0
177.12723	4.5
183.11700	5.8
185.13303	3.9
187.11131	5.7
187.14764	3.1
189.11203	13.7
191.10616	4.5
192.02415	2.7
193.12279	30.0
199.11136	3.3
205.12329	4.7
211.13228	4.9
219.13828	3.2
223.13066	3.0
227.12743	28.6
229.14403	3.7
239.18114	3.7
249.14835	4.0
255.15942	13.6
257.19095	5.9
267.15933	98.6
269.17538	15.9
272.44995	3.1
275.20035	31.0
291.19580	7.7
293.21243	3.9
301.20428	3.2
309.24704	2.9
349.23764	30.0
350.23706	3.1
365.23013	2.9
367.24564	3.4
369.24191	4.4
377.45264	2.9
385.47070	3.0
419.23956	4.4
421.25671	4.4
431.29462	3.6
437.25412	5.7
443.27771	5.8
447.27521	26.8
449.30380	5.3
461.28964	47.6
467.31531	5.9
477.28375	4.3
493.31186	9.3
501.31903	3.9
523.33850	4.4
533.34430	3.1
541.35181	50.8
559.36346	24.0
591.38751	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	644.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14914	0.3
53.03939	0.9
55.01866	1.2
55.05272	0.4
55.05512	4.3
57.03445	3.7
58.46201	0.3
61.02929	7.8
61.37962	0.3
66.13187	0.3
67.05175	0.6
67.05504	6.1
69.03438	2.2
69.07085	2.2
70.06600	3.1
71.04986	1.3
71.51772	0.3
71.52171	0.5
72.08173	0.5
73.02919	2.9
78.72297	0.3
79.05500	5.9
81.03420	29.5
81.07062	7.6
83.04987	5.3
83.08622	10.7
84.04502	0.6
84.08141	1.2
85.02908	15.3
85.06520	0.8
86.09709	1.2
91.03956	7.0
91.05486	9.5
93.07053	6.0
95.04977	11.1
95.08614	2.8
97.02899	5.5
97.06533	1.3
97.10180	2.1
99.04454	0.6
99.08093	0.7
105.07040	6.9
107.04958	3.1
107.08598	2.4
109.02885	0.6
109.06528	1.9
109.10155	0.9
110.07125	0.3
111.04430	1.0
111.08080	6.7
113.06004	0.4
115.03965	0.5
115.05428	0.7
117.07002	0.5
119.04942	0.4
119.08585	6.5
120.08097	1.5
121.06492	0.7
121.10131	3.8
123.08051	0.8
123.11707	1.2
125.09598	0.4
127.03941	2.7
129.06995	4.0
131.08571	5.2
133.06483	1.1
133.10123	4.8
135.04395	0.5
135.08142	0.3
137.09637	0.6
142.07784	1.1
145.02777	0.5
145.04996	3.0
145.10181	0.7
147.08047	1.5
147.11684	7.8
149.09650	2.6
151.11177	0.3
157.10130	6.3
163.03966	1.7
163.06020	5.1
165.12787	1.9
169.05019	0.5
175.11208	8.4
193.12254	32.8
199.17824	0.4
211.13297	26.3
216.10182	0.4
229.14328	0.7
236.57645	0.4
267.15930	15.9
285.16974	100.0
286.17303	0.9
299.05469	2.5
303.17953	1.4
309.16846	0.6
331.08127	0.5
354.92792	0.4
382.37741	0.4
393.19119	0.6
411.20157	0.7
429.21237	2.0
447.09012	0.5
447.22241	1.0
455.97974	0.3
474.88235	0.4
535.87616	0.4
596.88971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	0.7
55.05510	4.4
57.03196	0.4
57.03437	4.4
57.52849	0.3
61.02926	6.2
64.27090	0.3
67.05188	0.5
67.05509	6.5
69.03413	2.1
69.07056	2.3
69.72124	1.8
70.06596	1.9
71.04989	1.8
72.08147	0.5
73.02925	2.3
79.05074	0.5
79.05496	6.4
81.03421	26.9
81.06586	0.6
81.07056	8.3
83.04980	5.4
83.08620	9.5
84.04519	0.5
84.08132	0.7
85.02908	15.1
85.06535	0.7
86.09693	1.0
87.04485	0.4
91.03961	5.2
91.05486	10.2
93.07053	4.4
95.04372	0.7
95.04971	10.5
95.08606	3.2
97.02900	4.5
97.06515	1.1
97.10160	1.4
99.08074	0.6
105.07031	6.6
107.04951	2.9
107.08607	2.6
109.06521	1.5
109.10139	0.6
111.04402	0.6
111.08089	4.5
113.06011	1.2
117.06995	0.5
119.04919	0.4
119.08583	6.3
121.06508	0.6
121.10157	3.4
123.08039	1.3
123.11691	0.5
125.09625	0.6
127.03910	1.9
127.07544	0.3
129.07002	3.9
131.08585	4.4
133.06458	1.2
133.10118	4.5
137.09644	0.6
142.07808	1.1
142.93216	0.3
145.04996	1.8
145.10074	0.7
147.08029	1.2
147.11688	7.0
149.09598	2.6
157.10123	5.9
163.03897	1.2
163.06018	3.2
165.12759	1.6
175.11189	7.4
190.53195	0.3
191.84801	0.3
193.12250	24.4
211.13297	17.5
229.14407	0.6
230.69363	0.3
249.14644	0.3
267.15924	7.4
285.16965	100.0
286.17389	0.7
331.08514	0.4
429.21344	2.5
447.22391	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50362	0.3
53.03942	1.2
54.15775	0.3
55.01882	0.8
55.05270	0.3
55.05515	4.0
55.69033	0.3
57.01765	0.3
57.03443	3.9
57.33403	0.3
59.04996	0.3
61.02931	8.0
65.03931	0.3
66.21930	0.3
67.05508	6.6
67.35185	0.3
69.03432	3.0
69.07067	2.4
70.06602	2.2
70.71880	0.6
70.72245	0.5
71.04990	1.3
72.08137	0.8
73.02925	2.8
79.05502	7.4
81.03423	33.6
81.07056	7.3
83.04984	5.8
83.08622	12.0
84.04492	0.4
84.08138	0.6
85.02910	15.8
85.06515	0.4
86.09711	1.2
91.03422	0.4
91.03967	6.3
91.05489	9.4
93.07065	5.3
95.04977	11.8
95.08618	2.4
97.02900	6.3
97.06542	1.9
97.10165	1.9
99.04465	0.7
99.08096	0.6
101.07167	0.3
103.05469	0.4
105.06402	0.5
105.07043	7.0
105.19540	0.3
107.04961	3.0
107.08617	2.5
109.02850	0.5
109.06538	1.8
109.10170	1.3
111.04459	0.8
111.08090	6.6
113.05991	0.8
115.03948	0.5
115.05463	0.6
116.59632	0.3
117.07024	0.6
119.04981	0.3
119.08587	6.5
120.08103	1.0
121.06496	0.9
121.09344	0.3
121.10167	3.5
123.08063	0.9
123.11710	0.8
125.09620	0.7
127.03896	2.2
129.07022	4.4
129.10216	0.5
131.08578	4.4
133.06502	1.1
133.10132	5.2
135.04379	0.4
137.06001	0.8
137.09630	0.5
142.07779	0.8
145.04971	3.2
145.10086	0.5
147.08083	1.2
147.11696	8.0
149.09663	2.7
157.10139	7.4
163.03954	1.6
163.06017	4.8
163.11241	0.4
165.12770	1.5
167.07126	0.4
169.04945	0.5
175.11195	9.1
193.12257	35.0
194.12682	0.5
211.13300	27.2
217.19838	0.3
225.60666	0.3
229.14374	1.4
239.03571	0.4
267.13046	0.6
267.15936	15.6
285.16980	100.0
286.17252	1.0
299.05450	2.0
303.18094	1.0
309.16959	1.0
397.15042	0.4
411.20108	0.9
429.21216	1.9
447.22357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01870	5.8
55.05512	12.9
57.03446	6.7
61.02917	1.9
62.89046	1.2
65.03928	1.9
67.05507	19.5
69.03418	3.7
69.07072	14.4
70.06571	2.2
71.04984	3.9
71.38335	1.6
71.38679	1.3
72.08185	1.7
73.02921	1.5
73.06548	1.1
77.03925	1.7
79.05495	25.7
81.03418	17.4
81.07060	19.4
83.04965	4.5
83.08623	8.4
84.08144	1.7
85.02892	3.9
85.06557	2.3
86.09708	3.0
87.04510	1.2
91.05485	26.3
93.07050	27.2
95.04969	16.3
95.08611	7.2
97.02898	4.3
97.06534	8.7
97.10168	10.8
103.05466	4.7
105.07055	8.2
107.04967	28.4
107.08606	10.6
109.06538	8.6
109.10154	4.5
111.08083	3.4
113.06027	1.1
115.05490	3.1
117.07027	9.1
119.04926	2.3
119.08591	15.0
120.08113	2.1
121.06513	48.3
121.10143	6.3
123.04399	3.1
123.08072	2.3
125.05972	5.4
125.09621	13.2
127.03946	1.4
128.06100	1.2
129.07042	6.2
131.04935	3.1
131.08559	7.7
133.02873	1.9
133.06488	4.8
133.10112	3.8
135.08060	8.7
135.11635	2.2
137.05966	10.6
137.09602	6.8
141.06985	2.9
143.04932	1.7
143.07016	5.3
143.08551	4.2
145.02756	1.4
145.06476	7.2
145.10112	6.7
147.04398	5.5
147.08057	8.2
147.11697	3.2
149.05969	1.8
149.09641	4.4
152.07086	2.8
153.09131	2.7
155.08508	3.5
157.06462	3.1
157.10136	3.2
159.08057	2.2
159.11667	5.2
160.05215	1.6
161.06030	3.1
161.09610	8.3
162.06810	1.3
163.03894	1.4
163.11195	8.3
165.09113	8.3
167.08586	2.1
169.06474	1.4
169.10127	2.5
171.08000	4.1
171.11671	3.1
173.09592	2.7
175.07513	3.4
175.11185	2.3
177.05391	2.0
177.09099	3.3
177.12654	1.6
179.10654	1.2
181.10124	2.1
183.11743	1.6
185.09601	2.7
187.07538	1.5
187.11211	4.3
189.05302	1.5
189.09070	3.2
189.11203	4.6
189.12791	2.0
191.10616	8.8
193.12215	4.6
195.07988	1.7
195.10057	1.9
195.11731	2.0
197.09682	2.4
199.11217	3.1
201.05437	15.6
201.09070	1.8
203.10686	4.1
205.06552	2.3
205.12201	2.7
209.09665	1.8
211.11137	1.7
213.09081	1.6
213.12791	2.3
215.10760	1.4
227.10738	7.9
231.10091	2.4
231.13792	1.7
233.05978	1.8
233.15323	1.9
237.09096	4.2
237.12761	2.3
239.12695	6.2
243.13806	1.3
245.11682	2.8
250.06361	2.2
259.13345	2.8
261.14883	1.2
263.07208	1.4
265.08575	5.1
267.15887	4.7
272.12720	3.9
273.14758	3.9
276.04129	1.5
282.08841	4.5
283.14523	1.3
291.06638	3.1
293.08197	3.0
297.11130	2.0
303.17426	1.7
307.09753	1.2
311.20090	6.3
317.06448	1.9
321.18372	6.2
323.09174	8.0
325.10754	9.6
329.21213	7.9
339.19553	25.1
346.62476	1.4
354.13239	4.1
357.20618	33.8
364.11786	3.5
375.21631	7.1
383.34232	1.3
413.23230	9.0
431.24313	100.0
433.54462	1.7
449.25378	64.4
460.17465	10.0
462.19113	21.7
463.26892	18.4
473.25543	1.5
481.27902	3.3
488.17068	13.7
562.69434	1.4
625.25262	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01872	1.4
55.05517	7.7
57.03423	2.5
57.07063	0.5
58.03758	0.5
61.02928	8.2
62.03257	0.9
65.03936	0.7
67.05511	3.7
69.03432	5.1
69.07074	17.2
70.06606	2.7
71.04996	1.3
71.52248	0.7
72.08148	1.2
73.02918	2.8
79.05486	3.4
79.09742	0.5
81.03436	2.5
81.07065	19.1
82.06565	0.8
83.04967	3.2
83.08627	4.2
84.04523	0.5
84.08138	2.0
85.02913	19.5
85.06543	3.5
86.03241	2.0
86.09703	3.4
87.03325	0.9
91.03960	6.1
91.05481	4.3
92.04276	0.6
93.03393	0.6
93.07047	6.4
95.05006	2.5
95.08617	4.5
97.02897	8.4
97.06538	7.8
97.10170	1.9
98.03226	1.8
98.09644	1.0
99.04492	0.9
99.08108	6.8
100.07640	3.2
100.11265	13.4
103.05460	0.6
105.07043	7.5
107.04959	0.8
107.08601	12.0
107.34906	0.5
109.02889	1.4
109.06546	2.7
109.10182	3.1
111.04439	6.1
111.08074	1.3
112.07580	1.1
117.07034	2.1
119.04950	5.3
119.08583	3.4
121.02905	1.1
121.06508	4.6
121.10126	3.9
123.04437	1.7
123.08083	4.0
123.11710	1.3
125.02388	0.9
125.09647	12.7
126.09174	1.0
127.03923	3.3
127.11209	1.9
128.04305	0.9
128.06238	0.8
128.07062	3.5
129.07014	1.3
131.08578	9.3
133.06526	1.1
133.10126	6.2
135.08076	1.5
135.11697	2.7
137.02328	2.5
137.05975	0.6
137.09615	1.0
138.02690	0.7
139.02818	0.6
139.07602	1.2
139.11185	0.7
140.07082	2.2
141.07013	0.7
142.07826	0.8
143.08592	3.7
143.10670	5.6
145.04959	3.2
145.06502	1.4
145.10130	6.7
146.05299	0.8
147.08058	2.7
147.11725	3.8
149.05920	0.6
149.09651	1.1
149.13266	1.7
151.03922	0.9
151.07559	0.6
151.11227	0.8
155.07108	3.3
155.08397	3.0
157.10150	4.3
159.08012	2.2
159.11702	6.7
161.09647	2.1
161.13289	1.5
163.03943	1.2
163.06053	1.7
163.07414	0.7
163.11206	2.1
165.12766	8.4
167.03433	4.0
167.07091	1.8
167.08540	1.2
167.10715	0.5
168.03775	1.3
169.10127	3.2
171.08064	2.3
171.11700	2.1
173.09634	8.0
173.13223	1.4
175.11209	2.3
175.14833	0.7
177.09216	0.6
177.12794	2.0
179.03432	1.0
179.14310	0.9
180.03781	0.6
181.05038	1.1
181.10170	2.6
182.15414	14.6
183.08130	0.7
183.11703	2.7
185.09663	1.9
185.13278	2.1
187.11188	3.4
187.14915	1.0
189.12733	1.2
191.10657	3.1
192.13814	0.9
193.10307	0.9
193.12157	0.5
195.11716	3.6
197.04526	0.8
197.09663	1.5
197.13278	4.1
199.11234	3.7
199.14893	1.3
201.12784	1.9
203.14409	0.7
205.10362	0.5
205.12288	1.0
207.11769	1.2
209.09631	0.7
209.13423	2.5
209.16498	2.5
210.14899	16.3
211.11287	1.8
211.14897	0.9
213.12761	3.3
213.16350	0.7
215.07071	1.6
215.14377	2.6
217.15924	0.7
219.11702	0.7
221.13313	1.8
223.11176	0.9
223.14839	3.6
225.12787	2.5
225.16408	2.1
227.14357	2.1
227.17641	1.1
228.04285	0.7
228.16010	1.6
229.12212	0.7
229.15889	0.8
231.06601	0.9
231.13838	1.2
235.14809	0.8
237.12849	0.9
237.16434	3.2
239.14299	1.1
239.17914	2.4
241.15919	1.4
243.06583	2.6
243.13721	1.1
244.06947	1.9
245.07191	1.1
245.15630	0.6
245.18552	0.8
247.14832	2.1
249.14668	1.0
249.16655	0.8
251.14644	0.6
251.17892	0.8
253.15936	1.5
253.19627	0.8
254.17529	1.3
255.17422	1.8
257.04239	0.7
263.65344	0.5
265.15884	5.3
266.16617	0.6
267.17377	4.3
269.18973	1.3
271.06122	1.3
271.17328	0.5
271.20340	1.2
272.06378	1.0
273.06824	1.0
274.04706	2.1
275.05096	1.5
276.05386	1.3
277.15900	0.9
283.16992	6.0
285.18539	9.8
289.06763	0.7
293.15982	0.6
293.18918	2.4
295.20532	3.4
297.18369	0.5
301.06241	0.6
301.17999	1.2
302.04269	1.0
303.04596	1.1
303.19556	6.2
304.04825	1.0
311.20074	2.2
313.21732	3.5
317.06564	57.5
318.06924	47.6
319.07114	54.3
320.07294	2.0
329.21152	1.2
335.20010	3.5
337.21326	1.4
342.20294	0.8
347.22217	0.7
351.23044	0.6
353.21185	14.2
355.22400	1.8
363.27191	1.0
367.26553	0.7
371.22208	20.0
381.23941	1.1
381.28183	0.8
391.26501	4.8
399.25031	2.0
409.27411	15.0
410.27661	0.6
427.28482	27.7
445.29529	23.1
446.29993	0.7
454.32675	0.7
455.28598	0.8
463.30539	7.6
481.31628	100.0
482.31866	1.9
581.39075	2.0
607.40503	2.0
625.41779	19.6
643.32642	1.0
643.42908	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.8
55.05439	2.2
57.03384	1.0
57.07034	0.6
58.58104	0.6
64.23685	0.4
67.05427	4.0
69.06990	1.7
71.04948	0.5
71.08531	0.5
78.32970	0.4
79.05408	2.6
80.81656	0.4
81.03338	2.5
81.07049	4.1
83.04907	0.6
83.08532	1.4
86.05972	1.3
87.04408	0.9
91.05477	3.4
93.07039	3.9
94.08710	0.4
95.00859	0.4
95.04871	1.2
95.08519	1.7
97.06483	0.5
97.10094	0.8
98.05984	0.8
98.17110	0.4
104.07053	0.6
105.07018	2.2
107.04895	0.6
107.08620	2.0
109.06461	0.7
109.10062	1.1
111.07997	0.6
112.07486	0.5
117.06953	1.1
119.08497	1.7
121.10035	1.2
125.09560	0.6
129.06944	0.6
131.08453	1.4
131.45912	0.5
133.10023	1.3
135.11661	0.8
139.62357	0.4
143.08446	0.5
145.10028	1.5
147.11589	1.3
149.09549	1.3
149.13202	0.8
155.08522	0.5
157.10025	0.9
159.11664	0.7
161.13150	0.4
162.38737	0.4
163.11154	0.6
175.11082	0.6
189.11134	0.6
193.12184	0.5
199.97125	0.4
210.14700	0.5
227.12601	0.6
257.18756	0.5
267.15836	1.3
275.19962	0.6
307.22635	0.8
311.25885	0.8
365.23276	0.5
370.38681	0.5
377.04340	0.5
396.12051	0.9
397.13043	1.4
398.13873	0.8
409.13116	0.9
410.13843	2.7
411.14633	5.4
412.15308	3.5
413.15991	1.6
423.14737	1.3
424.10962	1.1
424.15421	1.8
425.16293	12.0
426.16898	8.2
427.17642	1.4
428.18573	1.7
437.16144	1.3
438.12170	2.2
439.13620	14.7
440.19186	4.6
441.19308	38.3
442.19339	1.6
451.13788	1.0
452.14233	3.6
453.15424	17.4
454.15948	3.4
457.14935	0.9
463.14044	0.7
465.15475	0.9
466.12289	0.7
467.17172	26.4
468.17941	14.6
469.18936	12.7
470.19666	0.6
471.17044	0.7
480.17368	0.9
481.14642	12.2
482.15546	3.4
485.18124	0.9
487.83105	0.5
494.17154	0.6
495.15927	3.0
496.17224	14.1
497.18069	2.9
498.19415	0.6
499.19687	1.8
509.18408	2.8
512.20538	1.1
514.22296	2.6
522.17072	1.0
523.19757	1.9
527.23627	3.2
537.18616	0.8
539.19244	0.6
540.20166	0.6
545.24341	0.4
545.38135	0.7
555.22424	30.7
556.22656	1.2
568.19476	0.7
583.21936	100.0
584.22156	4.3
586.20258	0.4
587.25000	1.8
596.87268	0.5
611.21490	2.6
614.23474	1.1
615.24567	12.6
616.25159	0.7
624.44781	2.1
625.37579	0.5
625.45416	5.2
643.23993	83.2
644.24133	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	641.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.1
55.05466	1.0
56.20657	0.6
57.03385	1.2
61.02857	5.2
65.03877	1.0
67.05444	1.2
67.74986	0.7
69.03358	2.1
69.07014	0.9
70.06516	4.6
70.64703	1.8
72.08100	1.8
73.02856	1.7
73.28888	0.7
79.05435	1.4
80.10485	0.7
81.03354	2.7
81.06990	1.5
84.04443	0.8
84.08054	2.4
85.02906	12.0
86.09717	3.7
91.03882	2.6
91.05490	7.5
93.07054	10.7
94.49857	0.6
95.04971	3.2
95.08538	1.2
97.02899	7.8
97.06449	1.3
98.03151	1.2
103.05480	7.2
105.04480	0.9
107.04909	0.8
107.08560	0.9
109.02818	1.1
109.06403	0.9
111.36782	0.7
118.64566	0.9
119.04876	1.1
120.08004	2.8
121.02822	0.9
121.06512	60.1
121.07362	2.0
123.04388	1.0
125.05908	0.9
127.03838	2.1
129.10114	0.8
131.08524	0.8
136.07535	0.7
137.02223	2.1
137.05943	1.3
141.03275	2.7
144.04364	1.9
145.04907	1.8
145.06430	0.7
147.04341	1.6
147.11626	0.8
149.13080	0.8
151.03804	1.1
158.03532	1.0
162.05482	3.6
163.03868	0.7
164.07108	3.6
164.08237	0.8
167.03322	2.4
173.05893	1.8
177.05420	1.4
179.03346	1.0
179.11795	0.6
181.04843	0.9
191.07063	4.0
194.07413	0.7
197.04385	0.8
201.05386	94.7
202.05836	1.0
205.06416	2.1
215.07007	1.8
219.08081	1.3
219.80769	0.7
220.05179	5.5
221.05919	1.2
222.06746	1.4
233.05913	1.8
233.08058	0.7
234.06668	2.5
235.05185	1.1
235.07556	20.5
237.05362	2.1
237.09149	6.7
243.06465	2.2
244.06148	3.2
247.07312	1.2
248.04752	5.2
249.05351	2.6
250.06178	1.4
251.07043	1.2
252.07593	0.7
260.93073	0.7
263.07053	25.4
264.07761	2.0
265.04984	4.4
265.08554	16.8
266.09439	1.0
267.06583	1.2
271.05942	1.8
274.04694	2.0
280.07303	11.2
282.08890	22.3
291.06528	13.8
293.07782	0.6
295.09531	1.8
297.11273	9.2
299.09125	1.6
302.04053	1.8
308.06818	3.6
313.10635	4.3
317.06577	93.0
318.06735	0.8
322.07443	0.8
323.09146	94.6
324.09433	1.0
327.08948	1.0
340.11755	0.8
362.10086	1.5
364.11816	17.7
458.16052	18.8
460.17624	8.1
461.28787	1.1
479.11508	0.7
479.29593	1.0
486.15494	9.7
488.17078	100.0
489.17563	0.9
504.16534	3.0
576.33112	0.8
623.23981	5.4
641.26190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01869	1.5
55.05514	11.5
57.03443	4.8
57.07077	26.0
59.05003	0.5
60.91905	0.5
65.03922	1.3
67.05145	1.3
67.05505	26.4
67.69992	0.5
69.07070	10.9
69.80267	2.1
69.82100	0.6
71.04980	2.1
71.08241	1.0
71.08632	19.3
72.40429	0.5
79.05495	18.3
81.03416	1.4
81.07056	32.2
83.04983	6.6
83.08623	9.5
84.07681	0.5
85.02869	0.5
85.06557	1.2
85.10178	8.7
91.05482	11.8
93.07044	20.6
95.04970	5.0
95.08607	23.1
97.06528	4.3
97.10165	4.2
98.21439	0.6
99.08103	3.4
105.04513	0.9
105.07030	7.2
107.04955	1.1
107.08595	10.1
109.06520	1.4
109.10152	7.8
111.08094	2.1
111.11719	0.9
117.07018	4.8
119.08614	3.6
121.06532	1.3
121.10137	5.9
123.08082	0.8
123.11747	2.5
125.09663	0.8
125.13273	0.6
129.07045	1.1
131.08559	4.3
133.10130	5.3
135.08081	1.5
135.11705	2.0
137.09584	0.8
137.13223	0.7
139.11201	1.4
145.10136	1.0
147.11671	1.9
149.09644	0.6
149.13255	6.7
151.11171	4.0
157.10138	0.8
159.11703	3.5
161.13338	1.8
163.11169	2.6
165.12804	0.9
171.11688	0.9
175.14856	0.9
177.12790	1.7
179.14357	0.8
182.88266	0.7
195.13802	3.7
209.05087	0.5
223.99603	0.5
227.12782	1.3
233.15329	0.7
239.21706	0.6
239.23586	2.7
241.19492	0.8
251.16501	1.6
259.20596	1.7
269.17496	10.6
270.80957	0.5
277.21634	6.7
295.22495	0.7
313.27377	26.9
341.26865	0.9
351.25339	10.5
467.37305	0.8
496.64795	0.6
507.40457	100.0
508.41040	2.6
589.48370	5.6
607.49335	1.0
637.91992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1717
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01853	0.3
55.05503	0.4
57.03451	1.1
60.04522	0.2
61.02931	6.9
63.33990	0.2
65.03954	0.2
67.05508	0.3
69.03094	0.2
69.03439	2.8
69.07058	0.4
69.76783	0.9
69.77165	0.3
70.06598	1.7
71.04981	0.3
72.08136	0.4
73.02916	2.3
81.03421	1.4
81.07044	0.3
83.01356	0.2
84.04496	0.4
84.08137	0.7
85.02910	15.3
86.09724	0.9
87.04468	0.3
91.03959	6.0
91.05445	0.3
92.02623	0.5
93.03392	0.7
93.07076	0.2
95.08643	0.2
97.02898	6.2
97.06545	0.3
99.04459	0.8
107.08600	0.2
109.02888	0.8
111.00830	0.2
115.03908	0.4
120.08109	0.4
121.02878	1.1
121.54534	0.2
126.03150	0.3
127.03926	3.2
129.10234	0.2
136.07576	0.3
137.05962	0.3
139.03928	0.8
145.04974	4.0
145.06071	0.1
151.03954	1.0
153.01839	5.1
163.03912	0.3
163.06021	2.4
165.01892	0.5
167.03413	0.2
179.03392	0.2
183.02911	0.2
186.87477	0.2
199.11160	0.3
201.05501	0.6
203.03441	0.3
217.04982	0.6
218.05774	0.5
228.04187	1.0
229.04951	2.4
243.06581	0.3
245.04475	0.8
246.05238	1.3
256.03809	0.3
257.04480	2.0
271.06091	0.3
273.03900	1.2
274.04749	3.7
284.03152	0.3
285.03925	3.4
285.16858	0.2
288.06183	0.3
302.04227	9.4
317.06570	100.0
318.06964	1.1
329.06503	0.5
359.07648	0.6
383.07602	0.4
443.28232	0.3
461.10550	0.3
461.29224	0.5
479.11908	0.7
479.30353	0.5
601.53149	0.2
647.70886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.1
55.05466	1.0
56.20657	0.6
57.03385	1.2
61.02857	5.2
65.03877	1.0
67.05444	1.2
67.74986	0.7
69.03358	2.1
69.07014	0.9
70.06516	4.6
70.64703	1.8
72.08100	1.8
73.02856	1.7
73.28888	0.7
79.05435	1.4
80.10485	0.7
81.03354	2.7
81.06990	1.5
84.04443	0.8
84.08054	2.4
85.02906	12.0
86.09717	3.7
91.03882	2.6
91.05490	7.5
93.07054	10.7
94.49857	0.6
95.04971	3.2
95.08538	1.2
97.02899	7.8
97.06449	1.3
98.03151	1.2
103.05480	7.2
105.04480	0.9
107.04909	0.8
107.08560	0.9
109.02818	1.1
109.06403	0.9
111.36782	0.7
118.64566	0.9
119.04876	1.1
120.08004	2.8
121.02822	0.9
121.06512	60.1
121.07362	2.0
123.04388	1.0
125.05908	0.9
127.03838	2.1
129.10114	0.8
131.08524	0.8
136.07535	0.7
137.02223	2.1
137.05943	1.3
141.03275	2.7
144.04364	1.9
145.04907	1.8
145.06430	0.7
147.04341	1.6
147.11626	0.8
149.13080	0.8
151.03804	1.1
158.03532	1.0
162.05482	3.6
163.03868	0.7
164.07108	3.6
164.08237	0.8
167.03322	2.4
173.05893	1.8
177.05420	1.4
179.03346	1.0
179.11795	0.6
181.04843	0.9
191.07063	4.0
194.07413	0.7
197.04385	0.8
201.05386	94.7
202.05836	1.0
205.06416	2.1
215.07007	1.8
219.08081	1.3
219.80769	0.7
220.05179	5.5
221.05919	1.2
222.06746	1.4
233.05913	1.8
233.08058	0.7
234.06668	2.5
235.05185	1.1
235.07556	20.5
237.05362	2.1
237.09149	6.7
243.06465	2.2
244.06148	3.2
247.07312	1.2
248.04752	5.2
249.05351	2.6
250.06178	1.4
251.07043	1.2
252.07593	0.7
260.93073	0.7
263.07053	25.4
264.07761	2.0
265.04984	4.4
265.08554	16.8
266.09439	1.0
267.06583	1.2
271.05942	1.8
274.04694	2.0
280.07303	11.2
282.08890	22.3
291.06528	13.8
293.07782	0.6
295.09531	1.8
297.11273	9.2
299.09125	1.6
302.04053	1.8
308.06818	3.6
313.10635	4.3
317.06577	93.0
318.06735	0.8
322.07443	0.8
323.09146	94.6
324.09433	1.0
327.08948	1.0
340.11755	0.8
362.10086	1.5
364.11816	17.7
458.16052	18.8
460.17624	8.1
461.28787	1.1
479.11508	0.7
479.29593	1.0
486.15494	9.7
488.17078	100.0
489.17563	0.9
504.16534	3.0
576.33112	0.8
623.23981	5.4
641.26190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1714
Annotation	Rhamnetin 3-galactosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03944	0.2
55.01860	0.2
57.03439	0.7
61.02929	5.0
61.83274	0.1
65.03924	0.1
69.03086	0.1
69.03432	2.3
69.49515	0.7
69.49895	0.1
71.04981	0.2
73.02521	0.1
73.02917	1.5
81.03424	1.0
82.53960	0.1
83.01311	0.1
85.02908	11.3
86.03246	0.1
87.04449	0.3
91.03956	3.9
93.03407	0.2
93.53449	0.1
94.53004	0.1
95.04983	0.2
97.02894	4.5
97.03528	0.2
98.21516	0.1
99.04454	0.5
101.02412	0.1
109.02882	0.8
109.77614	0.1
111.97495	0.1
113.65865	0.1
115.03942	0.3
121.02866	0.7
123.04434	0.9
124.01594	0.2
125.02332	0.5
127.02976	0.1
127.03919	2.1
137.01369	0.2
137.02354	2.1
137.03427	0.2
139.03867	0.1
141.05522	0.1
145.02974	0.1
145.04962	2.8
149.02371	0.3
151.03934	0.6
161.04048	0.1
163.03883	0.3
163.06020	1.3
167.01984	0.1
167.03406	2.7
167.04756	0.2
178.33260	0.1
179.03404	1.3
180.04140	0.2
183.04573	0.1
187.07564	0.1
197.04448	0.5
197.06052	0.2
198.10194	0.1
200.04703	0.2
207.02898	0.1
209.04398	0.2
211.38905	0.1
212.58926	0.1
215.07059	1.3
219.02895	0.2
219.06668	0.2
225.14328	0.1
227.07025	0.1
228.04181	0.3
233.08083	0.4
242.05771	0.2
243.06529	3.2
256.03610	0.3
257.04437	0.2
260.07031	0.1
261.07639	0.4
271.06024	2.0
273.03888	0.3
274.04727	2.2
288.06274	0.7
289.07037	0.2
299.05508	0.8
302.04178	2.3
317.06558	100.0
318.06940	1.3
329.06561	0.6
340.05692	0.1
355.08105	0.2
359.07620	0.8
383.07748	0.4
413.08588	0.2
425.08618	0.2
443.09702	0.1
479.11813	0.2
507.35068	0.1
530.01068	0.1
628.36139	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1712
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
53.03941	0.3
55.01864	0.3
57.03443	0.8
61.02930	5.1
65.03933	0.1
69.03432	2.0
69.90009	0.4
71.01340	0.1
71.04993	0.3
73.02919	1.7
81.03430	1.1
85.02907	10.5
86.03233	0.1
87.04476	0.2
91.03958	4.2
93.03411	0.3
95.04997	0.3
97.02895	4.3
99.04444	0.6
101.02369	0.1
103.03944	0.1
109.02878	0.7
115.03938	0.4
117.05450	0.1
121.02860	0.8
123.04433	1.0
124.01605	0.2
125.02376	0.4
127.03918	2.5
134.03690	0.1
135.04378	0.1
137.02347	2.3
137.03407	0.2
139.03900	0.1
141.05511	0.2
145.03123	0.1
145.04965	3.2
149.02295	0.3
150.03072	0.1
151.03922	0.8
155.04807	0.1
163.03929	0.3
163.06012	1.3
167.03413	3.0
170.23784	0.1
179.01868	0.1
179.03394	1.6
180.04190	0.2
183.04459	0.2
187.07599	0.2
191.03394	0.1
193.05032	0.1
197.04424	0.6
197.06007	0.1
200.04713	0.2
201.05539	0.1
205.08748	0.1
207.02824	0.1
209.04327	0.2
211.04039	0.1
215.07063	1.1
219.02957	0.1
227.07115	0.1
228.04114	0.4
233.08124	0.3
243.06554	3.3
253.05045	0.1
256.03595	0.2
257.04370	0.2
261.07520	0.6
271.06015	1.9
273.03836	0.3
274.04727	2.3
284.03256	0.1
288.06281	0.7
289.07068	0.1
299.05551	0.9
302.04211	2.3
317.06558	100.0
318.06927	1.3
329.06616	0.3
355.08200	0.1
359.07559	0.3
372.45660	0.1
383.07806	0.4
425.08502	0.1
467.43689	0.1
479.12149	0.2
609.77655	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01861	2.3
55.05516	26.3
57.03437	5.7
57.06833	0.9
57.07083	11.6
63.70561	0.6
65.03928	1.2
67.05508	24.0
69.03420	0.7
69.07074	31.1
71.04982	2.4
71.08638	10.5
71.12518	1.4
76.88621	0.6
79.05495	17.9
81.03423	1.9
81.07059	27.5
83.04996	5.5
83.08625	24.3
85.02924	0.8
85.06530	1.2
85.10187	3.5
86.68613	0.7
89.06051	1.7
91.05490	13.0
93.07047	20.1
95.04971	5.5
95.08614	13.2
97.06542	5.0
97.10176	16.2
99.08098	3.6
105.07047	7.0
107.08605	11.9
109.06515	1.9
109.10149	3.7
111.08074	2.6
111.11723	4.4
113.09600	0.6
117.07021	5.0
119.08592	3.9
121.06488	0.7
121.10155	7.2
123.08051	0.9
123.11716	1.5
125.09667	0.8
125.13304	1.1
129.07021	1.1
131.08585	4.6
133.08606	0.8
133.10147	5.7
135.08064	1.1
135.11699	5.5
137.13240	0.7
139.11198	1.7
145.10213	1.5
147.11685	2.7
149.09564	1.1
149.13268	5.9
151.11214	3.3
157.10092	0.8
159.11674	3.9
161.13283	1.7
163.11240	2.4
165.12764	0.6
175.14893	1.2
177.12752	1.7
179.14342	1.2
195.13783	3.3
215.17940	0.6
227.12849	1.7
233.15656	0.6
237.22189	2.4
241.19547	0.8
251.16422	1.8
259.20651	1.8
269.17535	6.3
277.21606	4.7
295.22879	0.8
311.22180	1.3
311.25818	27.9
313.27338	1.7
313.89792	0.6
333.24167	0.7
344.24869	0.6
351.25302	10.6
465.35785	1.2
505.38916	100.0
506.39032	1.9
507.40552	1.5
587.46832	9.3
605.47443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67540	4.0
55.01897	3.6
55.05514	48.2
57.03435	8.5
57.07078	17.5
59.82048	3.1
67.05515	41.1
69.07077	41.7
71.05000	4.4
71.08639	20.0
71.52931	5.6
71.53342	3.9
75.39428	3.2
79.05493	29.3
81.03426	4.3
81.07078	42.3
83.04973	7.0
83.08629	38.4
85.10184	7.4
87.44395	3.2
91.05489	13.6
93.07051	34.6
95.04952	6.2
95.08610	24.4
97.06539	5.6
97.10177	32.4
99.08102	5.1
105.07035	13.6
107.08609	25.3
109.06532	6.5
109.10143	8.7
111.08054	3.5
111.11735	8.2
117.07021	6.9
119.08585	5.6
121.10180	11.9
125.09657	10.4
127.16592	3.5
131.08531	8.1
133.10114	4.9
135.11711	5.1
137.13268	3.9
138.31027	3.9
139.11223	4.4
145.10075	4.7
147.11674	6.1
149.13281	6.6
159.11681	5.7
179.59554	4.0
189.11296	8.7
197.46306	4.0
227.12785	43.8
248.85896	4.0
253.82552	4.1
253.92096	4.2
269.17459	17.2
275.20065	8.3
277.21698	10.0
295.22464	4.7
304.74170	3.8
311.25879	39.4
313.27432	12.4
349.23669	6.4
351.25287	23.1
409.33029	4.8
415.13574	3.6
481.35257	8.7
505.38892	100.0
587.46783	39.7
605.48022	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01863	3.0
55.05516	38.1
57.03424	5.2
57.07081	9.3
59.04986	1.8
67.05510	27.2
69.03423	3.5
69.06731	1.9
69.07075	23.4
71.07808	2.0
71.08643	17.0
76.84510	1.2
79.05494	16.6
81.03415	1.7
81.07053	21.1
83.05001	3.2
83.08154	2.3
83.08624	30.9
85.10168	3.0
90.33624	1.2
91.05494	6.9
91.05999	1.3
93.07034	13.1
95.04962	2.6
95.08609	11.4
97.06545	3.0
97.10175	50.6
99.08110	8.9
105.07047	5.7
107.08585	18.6
109.06521	2.5
109.10171	7.7
111.08103	2.5
111.11729	3.1
117.07027	2.7
119.08578	5.1
121.10150	3.9
123.11658	1.9
125.09629	32.6
133.10141	3.3
135.08034	4.1
135.11716	3.1
143.10709	1.5
145.10104	1.7
147.11630	2.8
151.11192	4.6
153.09126	2.8
161.13272	4.2
171.10100	2.0
173.11784	2.3
179.14328	3.3
189.11220	17.3
227.12791	100.0
241.19598	1.6
275.20096	1.9
277.21680	9.6
311.25854	29.9
313.27341	2.3
351.25323	27.5
403.82889	1.6
409.33154	12.9
472.95959	1.4
481.35272	30.9
489.39310	5.8
507.40186	1.9
587.46649	49.5
605.46814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4332
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
51.53048	0.2
53.03954	0.2
55.05297	0.2
55.05517	1.9
56.05032	0.3
57.07076	0.7
58.06605	5.6
67.05507	0.6
67.66209	0.2
69.07060	0.5
70.06593	0.7
72.08163	11.6
73.06572	1.7
79.05503	0.5
81.03443	0.2
81.07050	0.6
83.04991	2.0
84.08156	0.7
85.06609	0.2
85.08936	0.2
86.09713	20.9
91.05498	0.4
93.07006	0.4
95.08624	0.2
96.08132	0.3
98.06071	0.7
98.09701	0.3
98.20630	0.3
100.11266	100.0
101.06028	2.2
105.07029	0.4
107.08636	0.2
109.10161	0.4
112.07642	0.2
112.11231	0.2
114.09231	0.2
119.08612	0.5
126.09226	0.3
126.12710	0.2
128.10739	0.5
132.10207	0.3
133.69598	0.2
138.12735	0.2
140.14362	2.7
143.08266	0.3
146.11781	2.6
154.12267	1.9
154.15964	0.6
159.11815	0.2
172.13345	2.9
182.11830	0.4
182.15378	0.3
185.16650	0.2
198.93016	0.2
200.12877	0.5
200.16481	1.2
210.14952	0.3
211.14456	0.7
214.14380	0.9
225.16104	0.2
228.15976	6.6
228.18219	0.4
245.18793	0.4
285.21753	5.4
285.24854	0.3
295.20215	0.3
299.23315	7.3
313.21170	1.1
327.22797	13.8
367.26114	0.4
395.25436	0.8
412.31879	0.5
427.28528	0.4
440.31238	3.1
458.32300	6.8
484.33975	0.9
498.35757	0.2
510.41162	0.2
512.33362	0.6
526.34705	1.2
532.24017	0.2
540.36292	0.3
549.45471	0.2
611.43829	32.7
612.43866	0.5
621.42279	0.4
639.43292	14.2
640.44696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.05518	60.7
57.03447	21.9
57.07082	24.9
59.75559	4.1
67.05511	45.7
69.03408	4.8
69.07076	72.9
69.92742	22.0
71.04980	4.7
71.08623	17.4
71.39224	4.2
79.05506	40.5
81.07053	34.2
83.04987	7.6
83.08155	5.4
83.08624	50.8
85.10163	5.0
89.32793	3.9
91.05490	43.2
93.07045	41.4
95.04967	9.4
95.08618	41.8
97.06539	6.6
97.10178	41.2
105.07028	35.8
107.08592	32.9
109.06539	4.4
109.10143	14.3
111.11741	5.4
117.07018	22.6
119.08569	28.8
121.10144	15.1
125.09634	13.2
129.06975	12.2
131.08582	25.8
133.10104	19.2
135.11696	6.6
143.08514	13.8
145.10139	28.9
147.11673	10.4
148.29800	4.1
149.09608	7.4
157.10114	10.2
159.11661	15.6
163.11217	8.2
171.11697	6.3
173.13258	8.2
185.13232	12.8
189.11195	6.8
203.14211	6.2
227.12807	36.4
239.17928	9.2
257.18970	15.1
273.18369	8.6
275.20020	30.8
311.25854	100.0
313.27414	14.4
331.22519	7.1
347.22168	7.0
349.23703	36.8
481.35248	9.2
522.41522	5.1
585.45245	63.8
603.46027	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	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98046	1.0
51.14266	0.8
53.03950	8.2
55.01883	6.1
55.05272	1.4
55.05518	18.0
57.03451	8.5
59.04996	1.0
65.03941	2.8
67.05510	29.5
67.05878	1.4
69.03424	12.9
69.07073	7.0
70.06595	1.5
70.68849	2.0
71.04989	5.5
72.79762	0.9
79.05006	1.3
79.05498	34.0
81.03423	100.0
81.07061	32.4
83.04989	18.9
83.08625	22.5
85.02909	18.4
85.06553	1.8
89.03861	1.0
91.05490	35.4
93.07048	24.3
95.04977	27.2
95.08613	11.5
97.02908	10.3
97.06531	5.5
97.10188	7.0
99.04490	3.9
99.08122	2.8
101.62538	1.1
101.89675	1.0
103.05496	1.3
105.04536	0.9
105.07038	24.9
107.04966	10.2
107.05632	1.1
107.08608	12.1
109.02892	14.7
109.06528	6.1
109.10162	4.9
111.04450	11.6
111.08092	8.8
113.06007	2.3
115.05484	1.9
117.03407	1.2
117.07036	5.4
119.04944	2.5
119.08591	21.4
121.02872	1.4
121.06528	5.3
121.10162	12.3
123.04478	3.2
123.08104	3.4
123.11732	2.3
125.02427	1.1
125.09648	4.8
127.03931	8.2
128.06258	2.2
129.07013	13.1
131.05016	2.4
131.08583	13.8
133.06490	4.6
133.10132	10.1
135.04460	3.0
135.08078	2.3
135.11728	3.3
137.09648	3.1
141.06992	1.7
142.07828	2.4
143.04913	1.3
143.08607	1.7
145.02908	1.2
145.06522	2.1
145.10126	4.4
147.04427	3.2
147.08107	4.3
147.11700	18.4
149.06009	3.2
149.09634	9.0
153.12788	2.5
155.08600	1.7
157.06583	2.3
157.10104	12.1
159.04503	2.3
159.08110	2.1
159.11818	1.4
161.02374	1.8
161.06018	2.3
163.03918	12.8
163.05070	1.1
163.11102	5.2
165.09192	3.9
165.12759	7.8
165.48793	1.0
167.92329	0.9
169.10103	1.8
171.08188	0.9
171.11746	1.7
173.02289	4.9
173.04523	3.2
173.06058	2.5
173.09550	0.9
175.11189	12.1
181.12299	3.6
185.06039	2.2
185.09679	0.9
187.03925	4.6
187.07571	1.3
189.05504	2.2
189.09389	1.1
189.11272	2.1
189.12820	1.4
191.10728	2.6
193.10454	1.4
193.12256	41.8
197.05994	0.9
199.03961	3.9
199.11270	1.6
201.05559	2.3
201.79306	1.0
205.12343	1.0
211.13304	47.2
213.05487	7.0
215.07108	1.0
227.12753	5.3
229.14383	1.7
235.13412	2.9
249.14922	3.1
253.14467	2.5
259.13483	1.8
267.13815	2.6
267.16043	22.9
273.14886	1.9
283.13101	1.8
283.15778	2.3
285.17151	10.2
301.14267	5.3
309.17236	1.9
311.12796	2.5
311.16385	1.9
319.15652	1.4
327.15933	1.7
337.14575	3.3
355.14957	9.4
367.22699	1.6
375.18271	1.8
385.23871	3.3
393.19403	2.8
403.24649	1.4
411.20236	5.4
429.19061	15.7
459.27484	12.3
477.28522	14.7
495.29559	16.4
511.28558	1.3
543.30133	1.1
547.27313	3.6
561.31110	1.7
565.28333	4.2
573.30554	1.3
585.31042	3.1
597.30750	1.7
603.30945	5.2
621.31873	22.3
639.33429	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	638.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01869	2.5
55.05514	37.7
57.03428	3.9
57.07082	9.5
57.50807	1.3
61.33781	1.3
67.05509	21.5
69.03432	3.0
69.07074	25.9
69.21037	12.5
71.08632	5.7
79.05497	23.7
80.09052	1.2
81.07059	16.2
83.04977	3.2
83.08162	1.7
83.08625	29.2
85.10171	3.4
85.28017	1.6
91.05482	8.9
93.07056	10.1
95.04950	1.8
95.08594	7.0
97.06555	1.5
97.10171	47.1
101.05922	1.3
105.07035	10.0
107.08600	29.8
109.10159	8.3
111.08099	2.7
111.11718	4.2
117.07016	4.6
119.08584	5.8
121.10130	4.6
123.11704	1.6
125.08784	2.3
125.09645	34.3
129.07040	1.8
131.08594	2.2
133.10135	4.9
135.08083	4.9
135.11752	2.8
135.80354	1.4
143.10654	1.9
145.10132	7.1
147.11667	3.7
149.09637	2.7
159.11670	2.5
171.10159	3.9
178.03960	1.5
189.11223	19.6
227.12794	100.0
257.19022	4.1
275.20078	18.0
311.25827	37.8
316.74823	1.7
331.22659	3.2
349.23758	26.0
481.28247	1.7
481.35275	33.0
528.48132	1.5
585.36084	2.9
585.45142	52.6
585.69238	1.6
638.30237	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	638.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93480	1.4
52.13918	1.3
53.03951	6.5
55.01877	5.2
55.05516	51.2
56.36512	1.3
57.03445	14.2
57.07082	21.1
67.05511	48.3
69.03439	1.6
69.07074	62.6
71.01875	3.1
71.04999	4.0
71.08637	13.4
76.85480	1.9
78.03381	1.5
79.05499	36.4
81.03430	4.5
81.07063	51.4
83.04984	6.0
83.08627	46.0
83.09129	2.3
85.06550	3.0
85.10196	3.3
91.05491	33.8
93.06481	2.8
93.07050	42.1
93.97360	1.4
95.04974	8.8
95.08614	25.5
96.20871	1.2
97.06535	12.7
97.10177	30.3
99.08106	2.3
103.05420	1.8
105.04498	1.6
105.07041	22.2
107.04977	2.8
107.08610	27.3
109.06519	3.0
109.10159	7.7
111.08093	4.4
111.11713	8.8
117.07043	12.3
119.08598	17.7
121.06503	2.9
121.10156	15.1
123.08094	2.1
123.11737	4.2
123.40247	1.5
125.09619	2.6
125.13235	1.4
129.07027	3.9
131.08568	15.5
133.10138	14.0
135.08112	2.9
135.11703	17.0
137.09731	2.3
143.08591	2.7
145.10120	8.8
145.98453	1.5
147.11673	8.0
149.09615	6.1
149.13293	6.7
151.11177	1.6
155.08490	2.3
157.10170	3.1
159.11679	9.3
161.13190	1.6
163.11194	3.0
163.14914	1.5
171.11662	2.2
173.13298	3.7
177.12807	3.5
195.13834	4.7
237.22148	3.9
239.18059	2.5
247.20651	1.6
253.14220	2.2
255.15929	7.3
257.19116	6.5
264.32504	1.5
269.17490	16.6
275.20081	21.2
291.19794	3.7
309.20642	1.6
311.25821	75.7
331.22803	1.4
349.23795	22.7
367.24854	3.5
388.02640	1.4
491.37393	36.8
505.38928	100.0
545.42126	6.5
553.57550	1.8
585.45093	16.7
603.46271	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82972	1.1
55.05505	3.1
57.07058	1.2
67.05505	4.2
69.07072	1.9
69.85303	5.6
71.08646	1.5
74.51626	1.1
79.05493	2.0
81.07064	4.0
81.36880	1.1
83.08632	1.9
91.05481	1.0
93.07057	1.3
95.08622	2.1
97.10167	1.0
98.21533	1.2
105.07015	1.3
107.08631	1.7
109.10159	1.9
114.68716	1.2
119.08615	1.3
123.08068	1.0
147.92935	1.2
195.11913	1.2
200.18645	1.0
289.18155	1.1
313.27603	1.2
399.16168	1.5
401.17633	1.4
403.19110	1.3
405.20978	4.6
406.21698	5.6
414.18658	2.6
415.19141	3.4
417.20868	2.1
419.22324	2.9
420.23184	2.9
421.23865	9.1
427.19540	2.3
428.20053	2.1
429.20908	9.0
430.21771	1.8
433.19736	1.8
433.24603	1.6
443.22482	6.4
444.23260	2.1
445.19849	2.6
447.17743	1.9
457.24222	2.2
458.24896	4.7
459.21680	5.4
460.22766	3.3
461.19318	6.6
470.21426	1.4
471.22000	1.7
472.22534	5.0
473.19409	1.6
475.21277	2.9
476.21866	5.1
485.23651	10.0
486.20142	3.0
487.21140	1.8
488.22305	3.1
503.24408	18.6
513.22974	2.1
517.25940	7.6
525.41199	1.4
529.26178	1.5
535.27197	21.3
545.25507	64.5
563.26630	5.2
573.24957	17.8
605.27600	59.3
637.30280	100.0
638.30554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34377	0.4
54.45664	0.4
55.05492	0.8
57.03420	0.5
62.33228	0.4
62.62583	0.4
67.05481	1.7
69.07033	0.5
69.30515	0.8
69.30920	2.9
71.75211	0.4
79.05473	0.6
81.07020	1.4
83.08622	0.4
86.09685	0.9
91.51706	0.4
93.07015	0.6
95.08582	1.0
98.98465	2.4
105.07022	0.6
118.06542	4.2
119.08569	0.5
124.99995	7.7
131.08510	0.6
132.08067	0.9
133.08893	0.8
144.08081	11.8
146.09598	0.9
158.09651	4.8
159.10429	1.9
160.11224	1.1
162.09149	1.5
172.11205	2.6
176.10757	1.5
176.14349	20.8
184.07318	2.7
190.12170	1.4
202.15907	100.0
203.16309	0.7
220.16963	87.3
221.17395	0.5
248.50854	0.5
293.20999	0.6
300.13589	73.0
301.13943	0.9
340.27344	0.5
618.39246	6.0
636.40253	36.4
637.40930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80606	0.4
67.05433	0.7
70.97197	1.0
81.06971	1.1
107.08533	0.6
109.10049	0.7
140.71233	0.4
233.10576	0.5
346.80383	0.5
374.16006	0.5
376.16373	0.6
377.17776	0.7
378.18430	0.6
385.14560	0.9
386.15131	0.8
387.16483	0.7
388.17374	0.8
389.17862	0.5
390.18622	0.7
391.19116	1.7
392.19989	0.9
393.20624	2.1
399.15952	1.6
400.16910	2.9
401.17786	4.2
402.18137	0.8
405.20663	0.8
407.22519	2.9
408.22546	0.5
411.10495	0.5
411.16440	0.5
413.17715	2.3
414.18710	4.8
415.19327	7.9
416.19971	1.4
417.21133	1.1
421.20337	2.7
425.17706	0.9
427.19150	2.0
428.20456	3.2
429.21320	7.4
430.21848	2.3
433.16241	0.5
435.21710	2.0
436.22241	0.9
439.18890	0.9
441.16959	0.9
442.17487	1.0
443.18274	2.9
443.22562	3.1
444.18835	4.5
445.20334	1.7
447.17673	0.8
448.18604	0.6
455.18985	1.0
456.19180	1.4
457.20654	4.9
458.21219	3.6
459.17371	0.7
459.22760	0.6
461.19583	0.6
462.20233	0.5
469.16476	0.7
471.22354	6.0
472.23236	4.5
473.19458	4.9
474.20758	1.3
484.18619	0.7
485.19919	3.3
486.20563	5.1
487.21359	2.9
488.22238	0.7
489.22665	1.6
490.19943	3.1
491.20020	0.6
499.14401	0.9
499.21344	10.7
500.22449	1.6
501.19254	0.8
502.20346	0.7
503.25015	3.6
513.19141	0.9
514.19629	1.1
516.21643	1.3
517.22498	3.3
527.20813	2.3
528.21545	1.2
529.21985	0.5
531.24048	13.7
539.39569	1.0
541.22424	0.7
543.23895	1.7
549.25385	1.1
559.23419	79.8
560.23895	1.6
587.22852	13.7
619.25525	100.0
620.26080	2.5
637.26593	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	636.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02684	0.2
53.32558	0.1
55.05476	0.3
55.66155	0.1
67.05476	0.5
69.07035	0.5
69.98006	0.7
79.05476	0.3
81.07024	0.4
83.08601	0.2
91.05473	0.3
93.07005	0.3
95.08593	0.3
98.98468	2.3
105.07041	0.2
109.10123	0.2
118.06524	1.2
121.10123	0.2
125.00002	6.7
132.08066	0.4
133.08832	0.2
144.08083	7.3
144.47420	0.1
145.08806	0.3
146.09625	0.5
158.09647	3.1
159.10445	1.5
160.11156	0.4
172.11212	2.4
173.12029	0.3
176.14342	10.4
184.07323	0.6
186.12703	0.3
197.11778	0.2
202.15901	86.1
203.16231	0.5
204.62367	0.2
220.16959	9.1
264.96149	0.2
292.21320	0.2
300.13580	100.0
301.13858	0.6
374.17383	0.2
618.39081	1.3
635.09338	0.2
636.40283	5.3
637.26508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25709	0.4
51.19004	0.5
52.61507	0.5
55.05499	0.8
57.73209	0.4
65.03935	0.5
65.56480	0.4
67.05511	2.4
69.07047	1.1
69.17063	3.7
69.17466	0.9
74.71729	0.4
74.95554	0.4
77.61016	0.4
79.05473	1.6
81.03408	0.5
81.07043	2.0
89.06040	0.4
91.05466	1.4
93.07020	1.8
95.08607	1.1
98.98441	1.4
105.07027	1.0
107.08565	1.2
109.10144	0.8
118.06564	5.0
119.08568	0.8
120.09011	0.5
121.10123	0.9
121.66605	0.5
123.08053	0.9
125.00006	6.2
131.08583	0.7
132.08078	1.1
133.08755	0.5
135.08000	0.5
135.11758	0.6
143.07013	0.4
144.07030	0.8
144.08092	11.6
145.10117	0.6
146.09660	1.3
147.08128	0.6
158.09645	5.2
158.13669	0.4
159.10469	2.5
160.11188	1.1
162.09120	1.8
163.11258	0.5
172.11195	3.0
176.10841	0.9
176.14360	21.2
177.11517	0.8
179.14275	1.1
180.14772	0.5
181.12273	0.7
190.12276	1.2
202.15919	100.0
203.16185	0.9
210.19620	0.5
220.16977	83.2
221.17303	1.1
269.72177	0.5
300.13605	70.0
301.13907	0.6
374.17166	0.5
616.37219	5.9
634.38605	33.2
635.40289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18016	2.1
53.03941	7.8
55.01871	3.5
55.05516	30.1
57.03450	12.2
57.07079	4.2
65.03921	4.3
67.05511	93.8
69.03422	6.1
69.07075	31.1
69.20135	11.3
69.20558	10.2
71.04982	4.1
71.08634	3.5
72.08147	9.7
76.48410	2.2
79.05499	94.4
81.03415	6.5
81.07062	93.8
83.04962	8.9
83.08627	17.1
85.06543	5.6
91.05490	65.8
92.01454	2.0
93.07051	100.0
95.04974	12.5
95.08617	48.8
97.06538	11.0
97.10170	6.2
98.21491	3.8
99.08085	6.8
105.04544	3.0
105.07042	39.3
107.04945	5.5
107.08606	37.9
109.06518	6.8
109.10168	26.3
111.08096	5.3
117.07032	19.0
119.08592	30.1
121.09338	3.9
121.10155	40.1
123.08035	6.3
123.11720	7.5
125.09644	5.4
126.62717	2.2
129.06981	6.6
131.08568	27.3
133.10115	28.0
135.08061	6.9
135.11681	27.6
137.09558	5.2
142.16730	2.1
143.08571	4.4
145.10127	26.3
147.08054	3.1
147.11697	14.1
149.09642	8.3
149.13272	13.6
151.11198	4.1
155.08574	4.2
157.10120	6.2
159.11710	17.8
161.13286	4.3
163.11127	5.5
169.10098	3.0
171.11725	8.1
173.13286	6.9
175.11218	3.7
177.12814	2.5
179.14273	3.0
187.14865	2.3
195.13852	5.2
201.16443	3.5
215.17929	10.9
229.15904	3.3
233.19043	8.0
247.16911	2.8
255.15929	11.0
257.19101	6.6
269.17557	16.8
275.20093	21.6
289.21335	2.5
307.22702	85.7
316.08713	2.3
332.26608	3.8
335.25809	7.9
349.23819	15.7
487.34140	22.5
501.35773	71.5
541.38477	4.0
581.41949	11.6
599.43158	6.6
618.73755	2.3
634.42847	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	634.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36101	0.2
53.03940	0.4
55.05500	1.0
57.03432	0.3
65.03936	0.5
67.05509	3.6
68.05833	0.6
69.03422	1.2
69.07059	0.7
70.57471	0.9
71.04987	0.4
79.05503	1.6
81.03416	0.7
81.07069	2.0
82.07392	0.3
83.04980	0.3
83.08598	0.4
88.49418	0.2
91.05486	1.5
93.07040	1.4
94.07392	0.3
95.05000	0.3
95.08611	1.4
97.06522	0.3
97.10172	0.3
98.98476	2.1
105.07034	1.1
107.04942	0.3
107.08604	1.0
109.10149	1.6
110.10472	0.5
111.04482	0.4
117.07015	0.5
118.06570	1.1
119.08563	0.8
121.10136	0.4
125.00014	6.8
125.05949	0.3
131.08559	0.5
132.08072	0.4
133.10127	0.7
134.10553	0.3
135.08127	0.3
135.11697	0.3
141.67300	0.3
143.08664	0.2
144.08084	8.3
145.08864	0.4
145.10080	0.4
146.09610	0.6
147.08026	0.3
147.11722	0.3
148.11978	0.3
152.77892	0.2
157.10086	0.3
158.09657	3.0
159.10445	1.5
159.11671	0.4
160.11163	0.4
171.11685	0.2
172.11197	2.7
173.11816	0.6
173.13254	0.4
176.14359	10.9
181.12294	0.3
202.15919	85.3
203.16258	0.7
220.16971	9.3
229.14336	0.4
300.13605	100.0
301.13937	0.7
302.22052	0.2
369.24200	0.2
370.24503	0.4
374.17102	0.3
598.38434	0.2
616.37921	1.6
634.39081	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01864	4.4
55.05515	21.9
57.03439	5.9
57.07082	3.3
59.05003	5.0
65.03945	4.4
67.05508	100.0
69.03434	35.7
69.03741	0.7
69.03812	1.3
69.07066	10.4
69.17136	2.5
69.17456	13.1
70.65810	1.3
71.01353	2.0
71.04994	4.8
79.05495	36.0
79.77757	1.3
81.03423	25.4
81.07062	44.1
83.04973	8.1
83.08620	11.7
85.02917	4.7
85.06553	4.1
87.04472	1.8
91.05491	33.6
93.07048	34.9
95.04973	13.5
95.08612	29.6
97.02884	4.0
97.06540	5.3
97.10178	4.8
99.04475	3.0
103.05496	2.1
105.04501	2.3
105.07040	29.2
107.04952	4.7
107.08591	23.6
109.02906	4.6
109.06525	8.3
109.10161	58.3
111.04459	5.8
111.08086	5.4
113.28301	1.3
115.05470	3.6
116.06310	1.4
117.07021	14.2
119.08585	23.5
121.06524	4.9
121.10152	14.8
123.08097	3.4
123.11755	4.4
125.09661	5.4
127.03961	4.1
128.06216	4.1
129.06998	10.7
131.04938	1.9
131.08572	17.8
133.06503	3.9
133.10139	14.3
135.08061	5.1
135.11716	10.3
137.05952	2.0
137.09631	6.0
141.06973	2.5
143.08557	8.7
145.06532	3.8
145.10126	11.7
147.08092	3.7
147.11702	7.1
149.09647	4.6
149.13284	3.0
151.07562	3.1
153.06944	1.6
155.08594	6.1
155.10699	2.1
157.06503	1.7
157.10126	8.0
159.08098	3.7
159.11702	10.9
161.09657	5.7
161.13332	5.8
163.11212	4.1
165.09109	1.6
165.12726	1.7
167.08607	2.5
169.10109	7.4
171.11710	6.6
173.09639	3.4
173.11780	14.0
173.13298	7.2
175.11270	3.4
175.14941	2.0
177.12804	2.4
179.08614	1.8
179.10701	2.0
181.10123	2.0
183.11755	4.0
185.09702	3.3
185.13271	5.8
187.11258	1.8
187.14899	3.2
189.11227	3.7
189.12747	3.2
195.11719	2.0
197.13306	4.0
199.14938	2.2
201.12779	2.3
203.14415	2.1
207.11642	1.7
213.12831	2.1
213.16377	1.4
217.15929	1.4
221.15395	2.9
229.14333	16.3
233.15315	1.7
257.19040	1.6
259.20810	3.9
260.98758	1.6
273.22134	2.4
277.21658	3.5
283.20947	1.4
289.21725	2.1
299.14804	3.0
301.21701	5.5
315.23273	1.7
319.22708	2.4
339.23495	1.8
345.24429	1.9
351.23019	6.6
355.17670	3.9
369.24164	9.4
387.25253	6.9
393.26364	1.7
405.26385	2.4
408.38599	1.3
425.27020	1.3
443.27908	3.4
461.29068	5.0
472.60751	1.4
489.35733	2.3
543.36591	1.5
569.85370	1.4
585.38269	2.2
597.37964	6.7
615.38879	10.0
633.40015	60.3
636.65082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25238	1.5
53.03931	4.0
55.01861	5.4
55.05516	19.7
57.03415	5.1
57.07047	5.3
59.04994	3.3
59.75683	1.6
65.03931	4.6
67.05509	100.0
68.32957	1.6
69.03101	2.2
69.03437	34.5
69.07072	14.4
70.48418	1.4
71.04977	5.2
71.08616	1.6
79.05088	2.0
79.05499	32.0
80.60009	1.6
81.03425	20.7
81.07064	48.1
83.04972	9.4
83.08615	13.7
85.02882	6.0
85.06513	4.1
90.22482	1.7
91.05488	34.6
93.07049	35.8
95.04977	12.5
95.08612	29.6
97.02870	4.1
97.06524	4.9
97.10152	6.2
99.04444	2.9
105.07040	27.1
107.04939	3.0
107.08605	20.0
109.02889	2.9
109.06519	7.9
109.10163	57.2
111.04429	6.8
111.08045	4.6
115.05434	2.5
117.07019	16.1
119.08586	21.6
121.06480	3.1
121.10153	13.3
123.08072	9.3
123.11751	3.4
125.09595	5.1
129.07021	8.8
131.04907	1.7
131.08569	17.1
133.06454	3.8
133.09459	1.4
133.10158	14.9
135.08031	6.3
135.10397	4.5
135.11639	7.3
137.05841	1.8
137.09587	4.4
141.06934	3.4
143.08543	11.4
145.06430	3.3
145.10135	16.1
147.08014	4.6
147.11653	9.4
149.09596	2.8
149.13216	5.1
151.07535	2.9
151.11215	1.8
155.08531	4.8
155.10640	3.5
157.10098	6.5
159.08026	3.7
159.11674	11.1
161.09592	4.7
161.13194	2.8
163.11159	2.5
165.09192	1.8
169.10048	4.3
171.08005	2.9
171.11670	6.4
173.09511	1.7
173.11697	12.0
173.13272	5.5
175.11182	3.3
175.14792	2.3
177.12729	4.0
178.15915	1.9
179.14288	4.9
181.10109	1.7
183.11673	3.9
185.09622	2.5
185.13211	5.5
187.11139	3.1
187.14848	3.4
189.12714	2.1
193.12354	1.8
193.19122	1.8
196.16994	1.9
197.13307	3.7
199.11108	2.2
201.12738	1.8
203.14311	1.6
209.13271	2.2
215.14359	1.9
227.12720	2.8
229.14359	23.5
259.20502	2.7
266.34534	1.8
273.22018	2.7
275.20013	1.8
277.13416	1.6
277.21756	3.3
283.20410	1.7
289.21445	3.1
301.21609	8.3
315.23206	1.9
319.22516	2.6
331.26370	11.5
345.24362	2.8
351.23187	5.9
355.17441	2.4
369.24271	9.3
387.25275	5.2
443.27676	4.4
461.29019	8.0
489.35498	2.5
597.37445	7.2
597.46875	1.8
615.39520	11.5
633.39941	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.6
53.17316	1.7
55.01871	5.3
55.05517	22.3
57.03442	6.8
57.07077	5.1
59.05018	2.5
65.03934	2.9
67.05510	74.8
68.05830	2.2
69.03419	4.0
69.07074	14.9
69.36798	9.8
69.37202	4.8
71.04999	38.9
71.08636	11.4
79.05502	42.7
81.03420	5.7
81.07068	100.0
82.03780	2.5
83.04990	11.5
83.08624	17.1
85.06543	8.0
89.07301	1.9
91.05492	49.7
92.05849	3.1
93.07053	46.0
95.04994	11.6
95.05488	1.7
95.08616	31.8
97.06553	11.5
97.10164	3.5
98.21499	3.3
99.04482	1.9
99.08112	8.1
105.07049	23.3
107.08612	29.7
109.06526	6.2
109.10161	19.1
111.08076	7.3
113.09619	2.3
117.07011	12.1
119.08590	14.8
121.06493	3.8
121.10155	17.2
123.08070	4.6
123.11725	13.7
125.09615	5.5
131.08580	13.8
133.10138	22.8
135.08067	5.4
135.11711	8.2
136.12038	2.3
137.09624	2.8
139.11255	2.2
143.08557	3.6
145.10133	7.1
147.11743	6.0
149.09657	3.5
149.13286	10.8
151.11206	18.0
157.10184	3.7
159.11691	13.3
161.13239	4.5
161.89656	2.0
163.11198	5.2
171.11728	4.4
173.13321	2.2
177.12714	4.2
179.14319	3.3
183.13860	6.6
185.13281	3.6
195.13826	8.0
201.14862	2.8
221.15396	4.6
225.14850	3.0
227.12814	5.7
243.16042	3.1
251.16553	5.8
257.17264	2.5
259.20346	2.5
267.15918	5.0
268.16220	2.4
269.17554	9.7
277.21658	13.1
301.20114	18.5
329.18655	1.9
351.25424	13.3
352.25766	2.1
419.27774	3.2
427.26941	4.4
437.29013	21.8
445.29358	2.5
451.30579	20.7
463.30331	15.5
495.33218	88.7
501.34973	2.3
519.36804	31.3
533.37598	2.8
545.38031	14.6
551.39215	2.1
568.42163	2.4
577.41101	10.4
630.47974	6.0
631.42456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.0
55.01880	7.9
55.05505	3.4
57.03185	1.5
57.03432	8.2
61.02927	8.1
61.76189	1.4
63.96432	1.2
67.05507	7.9
68.99787	2.7
69.03429	39.9
69.07057	2.5
69.23956	2.1
69.24359	9.8
70.06596	2.9
71.01351	2.8
71.05009	8.3
73.02910	10.9
77.03928	1.5
79.05505	8.4
81.02925	2.2
81.03416	40.1
81.07066	9.8
83.04980	1.9
83.08624	1.9
85.02906	100.0
86.09702	2.7
87.00317	2.7
87.00832	43.7
87.04485	3.2
91.03970	2.2
91.05486	10.8
93.07028	6.3
95.04964	4.9
95.08587	4.6
97.02896	72.0
97.06522	3.1
99.04460	19.5
103.05463	1.7
105.01867	72.4
105.07049	9.5
107.04958	2.1
107.08590	5.1
109.02885	37.9
109.10155	4.0
113.86834	1.2
113.97917	1.2
115.03930	3.4
115.05435	4.5
116.07062	1.5
117.01836	3.8
117.07007	4.6
119.08572	5.9
120.10981	1.5
121.06496	2.9
121.10139	2.7
123.04418	2.1
124.75772	1.3
125.02347	1.8
127.03922	93.0
128.06216	4.3
129.01830	4.9
129.06972	4.4
131.08571	4.3
133.06499	1.7
133.10152	3.8
136.06175	1.9
137.09601	1.4
139.03862	1.6
143.03351	1.7
143.08604	3.3
145.04971	47.5
145.06236	2.2
145.10094	4.1
147.02827	3.3
147.08057	2.5
148.11952	1.5
157.06390	1.5
157.10066	2.1
159.02902	22.6
159.11653	2.3
161.09612	1.4
171.02858	1.7
189.03918	3.5
201.04031	1.4
213.03949	10.1
223.05975	13.4
231.04993	33.7
239.02412	1.4
241.07114	2.8
249.06091	16.6
259.16907	1.5
271.17154	1.7
273.06024	1.4
301.09177	6.7
301.18036	3.1
324.49612	1.4
327.07068	6.0
331.18967	3.8
345.08109	6.2
363.09402	2.4
435.23532	2.9
495.07648	1.3
632.39752	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03235	1.0
53.03946	3.0
55.01874	3.0
55.05515	34.6
57.03446	4.6
57.07083	7.5
59.05008	4.7
63.08443	1.1
65.03938	2.4
67.05510	47.2
69.03427	2.1
69.07073	16.9
69.68092	1.1
70.96381	0.9
71.05001	5.1
71.08643	7.7
75.04477	1.9
77.03932	1.0
79.05497	29.6
80.05839	1.0
81.03403	2.3
81.07061	55.2
82.07369	1.0
83.04984	4.1
83.08151	1.7
83.08624	23.1
85.06546	3.5
85.75524	1.1
89.06049	1.4
91.05489	26.7
91.06028	1.9
93.07053	32.6
93.07644	1.8
94.07404	1.1
95.04983	5.4
95.08614	25.8
96.08953	1.6
97.06554	3.4
97.10182	17.3
99.08102	3.5
103.05482	1.5
105.07037	32.2
107.08600	25.4
109.06577	1.7
109.10165	16.3
111.08100	3.2
117.07032	14.9
119.08587	30.3
121.10162	12.0
123.08097	2.6
123.11726	18.3
125.09632	13.3
128.06320	1.0
129.07021	8.7
131.08572	23.8
133.10141	19.2
135.08095	2.4
135.11731	6.8
137.09660	1.7
137.13318	1.1
139.11137	1.5
141.07028	2.5
142.07779	1.5
143.08585	10.4
145.10132	22.9
146.10573	1.4
147.11714	12.4
149.09666	1.8
149.13298	4.2
151.11189	2.5
151.14836	1.0
153.09171	0.9
155.08658	4.9
157.10172	10.4
159.11696	11.2
161.09683	1.1
161.13261	10.6
163.11224	1.2
163.14859	2.9
165.12808	2.2
167.08589	1.6
169.10112	6.0
171.10287	1.6
171.11635	7.2
173.11919	2.0
173.13257	11.3
173.50270	0.9
175.14854	9.8
177.12796	2.1
177.16444	2.0
181.10165	2.1
183.11678	5.4
185.13278	6.1
187.11256	1.3
187.13330	5.8
187.14885	10.8
189.11252	7.1
189.12727	1.4
189.16383	4.7
191.14240	1.2
195.11752	2.3
197.13304	3.9
199.14848	6.5
201.16406	8.0
203.14281	1.8
203.17999	3.0
205.19601	1.4
209.13336	2.4
211.14873	2.3
213.16501	4.6
215.18010	2.9
217.15936	1.3
217.19514	2.7
219.21062	1.4
223.14868	1.4
225.16446	1.8
227.12778	13.9
227.17999	2.7
229.02235	1.6
229.19530	2.3
231.21135	2.9
239.17981	2.0
241.19531	1.5
243.15907	10.1
243.21190	4.2
245.22815	3.4
253.19502	1.2
255.21098	2.5
257.22736	3.2
259.20795	1.7
259.24197	2.6
261.22281	1.9
263.20172	1.0
269.22803	2.0
271.24261	3.5
273.22687	0.8
273.25870	2.6
275.20087	1.9
277.21732	3.7
283.24261	1.5
285.22177	1.3
287.23856	1.3
293.21249	3.5
335.25876	2.7
338.27762	1.0
351.25589	1.6
351.30371	1.8
353.28375	1.0
369.31564	16.0
369.35962	1.6
384.87991	1.0
385.34689	10.1
387.32635	7.9
395.33252	1.0
423.32648	1.7
425.34225	2.5
439.35614	1.8
443.35184	9.5
497.35605	1.2
499.38364	1.2
501.41211	1.8
505.35684	1.7
515.37366	19.1
517.38806	1.5
519.41901	6.3
531.40070	1.9
537.43201	8.7
555.44171	4.0
589.01709	1.0
593.45557	4.2
611.46716	62.0
612.46375	1.4
629.47784	100.0
630.47803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
53.30649	1.6
53.74063	1.5
55.01871	5.6
55.05271	2.4
55.05518	33.5
56.02753	1.4
57.03439	7.4
57.07078	13.3
65.03963	2.4
66.37177	1.3
67.05512	75.4
68.05782	1.8
68.98885	1.5
69.03423	1.8
69.07074	27.2
69.15115	16.4
71.04991	3.9
71.08641	18.3
72.08157	1.8
72.78648	1.5
75.04492	3.3
79.05499	53.3
81.03430	4.5
81.07063	76.7
83.04990	5.7
83.08624	18.8
85.06542	5.0
85.10187	11.0
87.72247	1.6
89.06049	11.6
91.05491	45.0
93.07054	52.3
93.07645	2.8
95.04982	8.4
95.08613	50.0
97.06541	6.8
97.10165	14.3
99.08099	11.2
105.04546	2.1
105.07045	38.3
107.04990	6.2
107.08598	31.2
109.06547	5.7
109.10170	31.6
111.08080	4.6
113.09676	9.8
117.07029	17.7
119.08585	36.8
121.06535	5.0
121.10157	19.6
123.08105	5.0
123.11708	10.7
125.09647	7.2
128.06226	2.6
129.06970	11.9
131.08572	29.2
132.73091	1.7
133.06505	1.9
133.08629	6.7
133.10139	22.3
134.08965	2.2
135.08073	4.3
135.11700	16.5
137.09685	2.0
137.13303	3.3
141.07037	3.0
141.12750	1.8
142.07790	2.5
143.08597	14.0
145.06531	2.3
145.10135	26.6
147.08133	3.0
147.11699	17.3
149.13264	11.6
151.11214	5.9
155.08580	5.7
157.10185	13.4
159.11685	13.0
161.13284	14.5
163.11223	3.5
163.14862	4.0
165.12775	12.7
169.10159	9.1
171.11708	10.4
173.11874	2.8
173.13315	12.4
174.86520	1.8
175.14854	6.0
177.11279	3.2
177.12721	3.1
177.16405	2.7
179.08549	1.9
179.14261	8.4
181.10077	2.7
183.11751	5.4
185.13263	8.2
187.13445	2.2
187.14790	10.1
189.12811	2.6
189.16397	4.0
195.11722	2.4
197.13289	5.0
199.14864	5.9
201.16441	6.5
203.14319	1.6
203.18088	2.8
209.13298	2.5
211.14851	2.8
213.16527	3.8
215.18010	3.6
221.18968	1.6
225.16406	1.9
227.12839	4.6
229.19652	2.2
239.18056	2.0
241.19525	4.8
243.21120	6.3
245.22679	1.9
259.20596	2.3
261.22131	9.3
267.15778	2.0
273.18164	1.6
275.20148	5.1
277.21649	20.1
287.23581	2.2
293.21182	3.4
295.22672	14.1
313.25113	2.0
315.22952	1.9
317.24905	6.3
328.47684	1.8
333.24445	2.1
335.25821	17.0
337.27310	3.2
338.27649	2.7
341.24664	1.7
345.31537	2.6
351.25330	14.6
369.31473	3.0
383.33145	3.1
385.34760	2.9
415.25488	2.5
416.25900	2.6
421.34619	2.2
423.32407	4.1
425.34027	3.6
439.35910	3.0
443.35410	4.1
485.07428	1.7
497.36511	3.1
499.38040	3.8
501.35919	5.6
503.37442	2.1
513.39496	4.5
515.37317	34.5
519.42139	6.3
529.38947	5.3
531.41010	7.5
537.42999	7.0
555.44055	6.5
593.46002	3.1
611.36517	2.5
611.46716	62.3
629.47815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
53.60749	0.9
55.01871	5.5
55.05516	32.6
57.03447	6.2
57.07081	13.9
58.07420	1.1
59.04985	1.2
65.03934	2.6
67.05509	73.5
69.03413	1.4
69.07073	28.1
69.28216	8.6
70.96236	0.8
71.04983	4.0
71.08637	24.9
72.08978	1.1
73.06564	1.2
75.04481	0.9
75.50306	0.9
77.03941	1.5
78.31325	0.8
79.05499	37.5
81.03428	3.1
81.07063	63.3
83.04980	4.2
83.08153	1.6
83.08626	21.5
85.06551	3.3
85.10185	4.1
86.10516	1.0
87.04477	2.1
89.06042	18.8
90.06393	3.3
91.05488	34.9
93.07050	41.6
95.04964	6.5
95.08613	38.5
97.06542	4.6
97.10171	13.8
99.08103	10.2
103.05489	1.2
105.07036	42.6
105.45254	0.8
107.04981	1.7
107.08601	26.3
107.09312	1.7
108.08912	0.9
109.06523	3.4
109.10164	24.9
111.08089	3.3
113.09660	2.1
115.05460	1.4
117.07027	15.6
117.09132	1.1
119.08586	31.9
121.06531	2.3
121.10161	17.1
123.08087	2.9
123.11727	12.0
125.09631	10.2
127.11153	1.1
128.06239	2.8
129.07025	10.9
130.07817	1.7
131.08572	30.7
133.06540	2.0
133.08614	9.0
133.10138	21.3
134.08932	2.5
134.97740	0.8
135.08087	3.8
135.11713	10.7
137.09610	3.0
137.13303	2.6
139.11220	1.1
141.07019	3.2
141.12746	2.4
142.07784	1.7
143.08563	16.7
144.09352	1.6
145.10130	25.7
147.08081	1.8
147.11693	14.2
148.59616	0.8
149.09628	2.0
149.13229	7.4
151.11209	3.5
152.69211	1.1
153.12779	0.9
155.08585	8.3
155.10622	1.4
156.09422	1.2
157.10141	11.3
159.11694	13.1
161.09660	1.2
161.13269	14.0
163.11246	2.5
163.14850	4.1
165.12758	2.4
167.08583	2.2
168.09386	1.1
169.10118	6.9
170.31151	0.9
171.10374	1.5
171.11700	8.8
173.09683	1.4
173.11861	1.8
173.13231	10.8
175.11176	1.7
175.14822	9.2
177.11269	4.4
177.12727	1.4
177.16476	2.3
178.11543	2.3
179.14381	1.2
181.10167	3.6
183.11697	6.8
185.13284	9.9
187.13290	3.3
187.14877	10.5
189.11264	3.3
189.12755	1.2
189.16374	4.4
191.17892	1.6
195.11757	3.4
195.13721	0.9
197.13272	5.1
199.14818	8.0
201.16396	7.8
203.14395	1.7
203.18016	1.6
209.13293	3.2
209.15279	1.2
211.14839	4.7
213.16475	5.7
215.18018	4.6
217.19568	1.9
219.21121	1.2
221.13394	1.6
223.14952	2.6
225.16435	2.8
227.12793	9.4
227.17963	2.9
229.14406	2.0
229.19524	2.2
231.21114	2.1
233.22784	1.4
235.14775	1.1
237.16405	2.3
239.18040	2.1
241.19527	2.6
243.15971	3.1
243.21170	4.2
245.22655	2.0
247.20734	1.4
247.24313	1.1
253.19627	1.8
255.21230	2.0
257.22748	1.9
259.20642	2.2
259.24335	1.2
261.22235	3.6
265.21747	1.1
267.15939	2.3
267.21161	1.7
271.20724	1.2
271.24060	1.5
273.22311	1.6
273.25790	1.4
275.20148	2.4
277.21661	7.0
281.22437	1.2
283.24036	0.9
287.23627	1.1
293.21259	3.2
295.23730	1.1
299.23718	2.5
301.25250	1.2
303.23111	1.1
313.25262	2.5
315.23346	1.5
317.24808	2.0
325.25244	1.6
333.24347	1.5
335.25867	4.4
341.24725	1.0
342.22281	1.0
343.26520	1.0
349.23718	1.0
351.25125	4.8
355.26553	1.2
369.31421	6.4
383.33182	3.4
385.34964	4.4
387.32870	3.0
405.31250	1.5
411.32739	1.0
423.32730	4.2
425.33948	1.7
437.34213	1.2
439.36075	2.3
443.35553	4.4
457.36737	2.3
497.36319	4.0
499.37790	2.6
501.41333	1.3
503.37375	2.1
513.39783	5.3
515.37323	39.5
516.37158	1.0
517.39410	1.6
519.42139	6.2
526.52649	1.1
529.38837	7.9
531.40326	1.9
537.42938	7.5
555.44031	6.3
593.45593	3.3
601.48083	1.5
611.46722	58.5
612.47101	2.6
629.47797	100.0
630.48328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01870	5.7
55.05269	2.7
55.05516	33.4
57.03430	5.7
57.07062	7.5
60.66589	1.2
65.03934	4.0
67.05508	68.6
69.03434	3.3
69.07069	27.2
69.80905	1.5
71.05006	2.4
71.08632	26.9
79.05495	53.9
81.03423	5.3
81.07059	77.6
83.04989	6.7
83.08631	18.9
85.06539	4.3
85.10192	4.5
89.06021	2.8
91.05485	44.2
91.81511	1.8
92.05830	2.1
93.07048	61.6
95.04962	9.5
95.08610	50.4
97.06522	8.5
97.10149	8.5
98.85507	1.7
99.08093	14.5
105.07039	41.3
107.04989	2.2
107.08595	35.3
109.06513	5.2
109.10175	18.3
111.08082	10.4
113.09653	5.3
115.05473	1.6
117.07011	12.1
119.08582	24.9
120.08897	1.9
121.06508	1.9
121.10147	25.8
121.93777	1.4
123.08070	3.6
123.11715	9.4
125.09663	3.7
129.07036	5.6
131.08565	23.5
133.10141	21.7
135.11687	20.1
137.09616	2.5
137.13258	2.8
143.08530	8.1
145.10135	20.6
147.08060	3.8
147.11688	24.6
149.09656	2.5
149.13280	12.7
151.11229	6.2
153.12784	1.8
155.08617	4.4
157.10110	8.1
159.11705	12.7
161.09755	1.8
161.13248	10.5
163.11189	4.8
163.14857	5.2
165.12775	8.4
167.08629	2.6
169.10161	5.2
171.11725	6.4
173.09650	2.5
173.11887	2.7
173.13240	8.1
175.11237	4.2
175.14838	5.1
177.12799	2.6
177.16386	1.8
179.14345	5.8
180.14738	1.5
183.11781	3.8
185.13324	5.1
187.14857	6.6
189.16481	2.4
195.11734	1.9
197.13298	3.1
199.14915	2.9
201.16431	4.2
207.14052	2.3
211.14862	2.1
213.16443	2.4
215.17998	2.6
219.21156	2.9
227.17941	2.6
231.21172	3.6
233.22574	3.4
241.19553	3.9
243.21046	8.1
245.21982	1.7
259.20706	5.1
261.22137	13.7
267.15967	5.9
275.20343	3.2
277.21652	28.5
278.22058	2.5
279.23029	2.0
295.22717	5.1
299.23685	2.1
317.24887	7.6
333.24481	2.6
335.25754	6.0
345.31711	4.5
351.25287	11.8
369.26465	6.7
425.33960	1.8
439.35712	4.9
457.36511	3.5
513.39636	5.1
515.37225	3.5
517.39246	1.6
519.42206	4.5
529.38391	3.6
531.40393	2.6
537.43091	9.2
555.44000	14.0
593.45349	1.8
611.46747	49.7
629.47662	100.0
630.47968	3.0
658.11401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
53.46494	1.1
54.36356	1.0
55.01866	6.5
55.05514	35.2
57.03446	8.0
57.07070	11.3
65.03942	5.0
66.35954	1.1
67.05508	74.6
69.07072	32.6
69.67234	2.8
69.67634	4.5
71.04997	4.1
71.08633	26.1
77.03924	1.8
77.86893	1.1
78.99938	1.2
79.05497	46.6
81.03414	5.1
81.07062	73.9
83.04987	5.0
83.08623	19.4
85.06547	4.2
85.10184	5.3
85.54376	1.2
89.06034	3.3
91.05487	40.8
93.07046	52.8
95.04978	8.6
95.08611	55.8
96.08997	1.1
97.06541	5.6
97.10171	13.3
99.08105	13.8
105.04517	2.0
105.07036	46.5
107.04928	2.8
107.08609	30.9
109.06547	5.9
109.10167	25.7
111.08087	6.1
113.09673	6.2
115.05431	1.6
117.07022	18.6
119.06137	1.2
119.08584	41.6
121.06496	3.1
121.10148	21.1
123.08056	3.9
123.11713	7.9
123.69695	1.2
125.09626	5.0
127.11246	1.3
128.06216	2.1
129.07010	10.9
131.08566	33.3
131.09525	1.8
133.08618	2.0
133.10139	24.9
135.08141	2.9
135.11707	13.1
137.09703	2.8
137.13318	3.3
139.11258	2.8
141.07001	2.6
142.07800	2.8
143.08557	16.2
145.06502	1.3
145.10127	26.6
147.08044	1.6
147.11685	19.2
149.09602	3.9
149.13278	6.5
151.11140	5.8
151.14886	1.4
153.12720	1.6
155.08615	6.2
157.10144	13.8
159.11696	13.3
161.09616	1.8
161.13271	13.5
163.11243	3.2
163.14839	5.6
165.12743	3.7
167.08597	3.2
169.10133	6.5
171.11682	10.5
173.11862	1.7
173.13245	10.8
175.11221	1.6
175.14862	9.2
177.12694	2.5
177.16367	2.6
179.14355	3.3
181.10133	3.6
183.11685	6.3
185.13275	9.3
187.13356	1.7
187.14824	11.5
189.12808	2.7
189.16425	4.3
191.14354	2.9
193.12180	1.2
195.11728	3.6
197.13290	5.5
199.14886	8.4
201.16368	9.0
203.14319	1.9
203.18011	2.7
205.19600	1.6
207.11911	1.4
209.13307	3.2
211.14861	5.1
213.16505	5.9
215.17973	3.5
217.19429	1.6
219.21146	1.9
223.14818	1.7
225.16434	3.7
227.12753	2.1
227.18056	3.0
229.14291	2.1
229.19601	2.8
231.21220	1.4
235.14812	1.6
237.16396	1.4
239.18033	3.6
241.19603	5.1
243.21088	3.2
245.22664	2.0
247.20532	2.3
255.21130	2.4
257.22699	2.0
259.20563	2.9
261.22107	3.3
265.21713	4.7
269.22705	2.3
271.17496	1.7
271.20599	2.0
271.24106	1.2
273.22290	3.4
275.20288	2.1
275.23550	1.5
277.21777	7.7
279.23447	2.5
279.60233	1.3
281.22601	1.7
287.20212	1.3
287.23633	1.4
289.21747	2.5
291.23236	3.4
297.22083	1.6
299.23740	2.9
303.23053	2.0
313.21713	1.5
313.25085	1.4
317.24924	2.0
325.25110	1.5
327.23212	1.7
331.26349	1.7
335.25952	4.0
343.26303	1.7
345.31665	1.8
349.23914	1.8
351.25479	3.4
355.26419	1.8
377.26743	1.4
382.15991	1.3
383.33331	1.8
405.30878	1.4
407.33185	2.2
411.33102	1.5
423.32571	3.5
425.34222	5.2
435.66238	1.2
439.35889	4.3
441.33777	1.3
443.35547	2.4
457.37009	3.5
497.36105	3.3
499.37988	4.9
501.40979	2.0
503.37579	2.9
511.37732	2.0
513.39435	5.2
515.37427	32.9
517.38794	4.1
519.42499	6.7
529.38885	15.4
537.43048	10.5
541.38635	1.4
543.40167	3.7
555.44061	8.6
566.04291	1.4
593.45331	4.1
601.48560	2.2
611.46710	64.9
612.47021	2.2
629.47791	100.0
630.48224	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	629.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
52.18270	0.6
53.03952	5.0
55.01883	4.1
55.05513	24.0
57.03441	10.4
57.07072	7.5
60.13521	0.7
63.74282	0.7
65.03939	3.2
67.05508	77.4
69.03397	0.7
69.07066	20.4
69.16338	5.5
69.16747	1.3
71.04991	3.0
71.08633	49.4
77.03935	1.4
77.24706	0.8
79.05495	68.1
81.03426	5.4
81.07057	73.7
83.04985	8.4
83.08620	16.4
85.06537	3.2
85.10186	1.6
89.06013	1.0
91.05482	46.7
93.07046	87.0
95.04978	11.7
95.08609	53.3
97.06529	9.5
97.10162	6.3
99.08094	28.8
99.08754	1.2
104.98721	0.7
105.04539	2.5
105.06308	1.4
105.07033	37.6
107.04972	8.6
107.08595	45.4
108.08914	0.8
109.06522	3.5
109.10161	18.5
111.08082	3.4
111.11806	0.7
113.09675	3.1
115.05436	0.9
117.07025	11.9
119.08582	22.9
121.06515	2.3
121.10149	37.8
123.08077	3.0
123.11739	4.4
125.09636	2.0
127.11187	1.8
128.06229	1.1
129.05487	1.1
129.07011	5.2
130.07794	0.9
131.08571	19.4
133.08676	0.9
133.10124	18.8
133.11095	1.1
135.08067	1.6
135.11691	33.8
137.09636	3.6
137.13307	2.6
139.11208	1.5
141.07018	1.4
141.09097	2.8
143.08542	7.0
145.10117	15.1
147.08145	1.1
147.11690	11.6
149.09630	2.4
149.13257	14.6
151.11189	13.7
153.12775	2.2
155.08601	2.1
157.10185	4.3
159.11694	9.8
161.09593	0.8
161.13258	16.8
163.11163	7.7
163.14832	7.6
165.12740	1.5
167.10768	1.7
169.10114	2.5
171.11728	5.2
173.11758	2.9
173.13300	7.2
173.45236	0.7
175.14844	3.3
177.12740	4.0
177.16408	3.3
179.14316	66.6
181.10066	0.8
183.11714	1.5
185.13220	4.0
187.14807	4.1
189.12773	2.7
189.16405	1.3
193.12215	0.9
195.11693	1.0
195.13867	1.6
197.13213	1.2
199.14838	3.4
201.16396	1.5
203.14398	0.8
207.13895	1.0
207.17577	1.3
213.16446	1.2
215.18102	1.0
217.19553	0.9
219.17583	0.9
219.21184	1.0
221.15469	2.1
223.14912	1.3
225.16673	0.7
231.21188	0.9
233.22752	1.4
235.16971	3.2
237.16280	0.7
241.19550	4.3
243.21072	13.8
245.22461	0.7
259.20538	5.4
261.22162	16.5
275.20340	1.1
277.21628	57.7
278.22379	0.8
295.22723	5.2
299.23676	1.4
317.24731	9.8
335.25797	53.7
336.26120	1.0
339.26846	1.1
351.25287	47.2
419.58279	0.7
421.34763	1.1
429.29181	0.8
437.34473	1.1
439.35846	4.2
457.37366	1.0
485.36557	1.0
503.37442	0.8
511.37415	1.5
513.39380	6.9
515.37213	5.8
517.38922	1.2
519.41956	1.7
529.39111	2.2
531.40594	2.4
537.43127	2.5
555.44159	2.1
593.45575	1.1
611.46722	100.0
612.46912	2.4
629.47778	27.7
630.48285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09707	1.7
53.03945	2.3
55.05513	11.1
57.03422	5.5
59.05008	1.7
61.45855	1.8
67.05507	28.9
69.07079	9.7
69.07395	1.8
69.48260	1.9
70.57418	5.4
71.08636	13.5
75.04478	2.9
76.53449	1.7
79.05493	23.6
81.02985	3.0
81.03421	30.8
81.07062	27.0
83.04972	7.5
83.08633	14.1
91.05479	20.8
92.02802	1.6
93.07061	28.5
95.04963	11.2
95.08131	1.9
95.08622	18.1
97.06544	4.2
97.10183	2.5
99.08100	6.8
105.07047	16.4
107.04930	4.6
107.08607	17.4
109.06551	2.8
109.10167	7.0
111.08111	2.5
113.09634	2.0
117.07009	2.5
119.08604	11.2
121.10147	11.2
125.09648	2.1
129.06946	3.7
131.08554	7.9
133.10129	10.2
135.11710	9.1
137.09546	2.7
143.08495	2.4
145.10133	4.6
147.11667	6.7
149.09622	4.3
149.13268	3.5
151.11200	6.1
157.10106	5.3
159.11646	2.2
160.94510	1.7
161.13228	5.6
163.11133	3.5
175.11272	3.3
177.12750	2.4
179.14307	31.4
193.12206	7.8
211.13190	2.2
259.20441	2.1
267.15967	45.4
277.21667	20.7
301.20367	2.2
351.25287	18.1
405.12091	2.2
530.39227	4.9
543.36871	100.0
610.45697	3.0
628.47064	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
54.68028	1.8
55.01868	6.9
55.05513	27.5
57.03444	12.5
57.07083	9.3
59.20560	1.9
62.14073	2.2
65.03945	3.9
66.73431	1.7
67.05507	70.0
69.03419	2.5
69.07069	28.0
69.20706	17.6
71.04995	2.6
71.08633	66.4
76.66196	1.8
77.74605	2.0
79.05499	61.0
81.03418	4.4
81.06590	4.0
81.07063	75.0
83.04981	7.6
83.08634	14.5
85.06560	4.8
91.05487	62.9
93.07051	74.5
93.07648	4.1
95.04968	11.3
95.08613	54.1
97.06548	9.9
97.10194	7.8
99.08099	44.4
103.67859	1.7
105.04501	2.5
105.07037	63.5
107.04971	9.3
107.08604	40.1
109.06535	4.9
109.10165	21.5
111.08097	5.5
113.09695	2.5
117.07028	22.8
119.08594	47.1
121.06561	2.9
121.10148	28.2
123.08079	3.4
123.11699	4.3
125.09661	2.1
126.30785	1.7
128.06273	2.6
129.07007	15.0
131.08571	34.1
133.10144	33.2
135.08067	2.6
135.11697	27.5
137.09656	4.3
137.13234	2.0
141.07022	3.1
141.09174	1.9
142.02261	2.0
142.07808	3.4
143.08568	20.6
145.10124	33.0
147.11705	29.1
149.09570	3.6
149.13277	11.8
151.11224	13.0
155.08530	9.9
156.93289	1.9
157.10135	15.1
159.11679	23.2
161.09665	4.1
161.13274	25.5
163.11258	9.6
163.14851	4.4
167.08586	4.0
169.10132	10.4
171.11670	22.1
173.11761	6.5
173.13292	19.5
175.14787	14.3
177.12746	4.2
179.08676	1.9
179.14313	47.1
181.10133	6.0
183.11754	11.6
184.12535	2.3
185.13235	19.0
187.11438	2.1
187.14868	6.3
189.12866	4.5
189.16476	2.3
195.11754	6.6
197.13364	8.6
199.14809	11.4
201.16504	2.8
209.13269	4.7
211.14871	6.3
213.16472	5.2
215.18034	2.7
217.19571	3.3
223.14883	4.2
225.16292	2.6
231.21146	3.3
234.76180	2.0
235.16902	2.8
241.19539	28.9
243.21107	2.8
257.19019	5.8
259.20615	33.3
261.22205	1.8
275.20175	10.0
277.21667	45.7
285.22128	2.7
293.21280	6.2
295.22897	4.4
297.22116	2.3
315.23068	9.1
327.23087	2.4
333.24249	42.3
335.25873	4.8
349.23853	3.6
351.25299	38.8
409.30951	2.4
419.33218	5.7
435.33014	2.9
437.34201	23.2
455.35300	2.4
475.35858	2.8
483.34384	2.7
493.36700	4.4
501.36121	2.9
511.37772	17.1
513.35718	8.2
517.40472	5.8
527.37384	2.5
529.38788	5.6
535.41614	6.9
553.42578	6.4
591.43915	3.7
609.45227	88.3
609.80493	1.9
627.46191	100.0
628.46588	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2817
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01870	0.9
55.05505	1.2
57.03418	0.9
67.05508	3.5
69.07063	1.9
79.05495	2.7
81.03397	1.1
81.07047	3.0
83.08616	0.9
91.05491	2.4
93.07054	2.6
95.04986	2.5
95.08591	1.5
97.06509	0.8
105.07014	1.9
107.04975	1.5
107.08588	1.1
109.06517	2.0
109.10184	0.6
113.06032	1.0
117.07077	1.1
119.08627	1.6
121.06510	0.7
121.10159	1.4
129.07025	1.2
131.07346	0.7
131.08569	1.7
133.10136	1.3
135.08044	0.9
136.07623	1.0
143.08572	0.8
145.10155	1.4
147.08131	0.6
161.09654	0.6
171.11653	0.8
174.09166	4.1
187.12338	2.8
188.10756	1.6
197.10820	1.5
198.09271	0.8
211.08658	0.8
215.11801	2.0
223.08664	0.7
224.09416	0.9
225.10326	2.0
226.10999	0.8
227.11867	2.1
237.10417	1.6
239.11816	1.6
241.13435	1.8
243.11320	17.6
245.15511	0.7
249.10368	0.9
250.11075	0.8
251.11874	0.9
253.09789	1.2
267.11337	6.0
269.09229	0.6
269.12976	2.0
273.18579	0.9
277.09711	1.1
281.13187	0.7
285.12424	2.5
291.10858	0.9
291.19644	1.4
293.12564	0.8
295.10831	2.8
299.14212	0.8
301.12509	0.9
301.15582	2.5
302.12881	1.1
304.10956	0.8
309.12469	1.3
314.13083	1.5
315.13586	0.6
316.11011	1.1
316.14700	0.9
319.10693	1.1
325.15561	6.7
326.13202	0.9
327.13483	4.8
328.10864	1.5
328.14413	1.2
329.11810	0.7
330.12473	2.3
334.15524	1.6
342.12531	2.8
342.16263	0.8
343.13168	2.3
344.14151	1.8
346.15656	2.4
348.13501	2.3
351.13342	0.7
354.12457	1.0
355.13348	0.8
356.13861	3.4
357.14832	1.4
358.15610	2.9
359.16690	1.2
360.17081	0.9
370.15540	1.2
372.17157	4.2
374.14960	0.8
382.15939	1.0
385.18082	0.9
386.14764	1.6
386.19180	1.2
393.61014	0.7
398.14890	0.7
400.16620	2.5
401.17273	0.8
408.15933	0.9
412.16580	0.8
417.17313	0.6
422.17783	0.7
423.18408	0.9
430.17865	1.4
431.18646	1.4
432.19174	2.7
435.14325	1.7
446.20923	0.8
447.21945	1.8
449.15466	0.9
449.20554	1.2
450.16809	2.0
451.17166	1.1
452.22662	0.6
460.18555	1.0
461.23660	1.3
462.24191	2.0
463.21216	2.3
464.22470	0.6
465.18869	10.5
466.20053	0.9
477.19354	1.4
478.20258	1.0
479.20313	4.0
480.21417	3.0
481.22342	2.1
489.22919	0.7
490.21979	1.1
492.21216	1.8
493.22897	3.0
494.22900	0.9
504.21042	1.3
507.24316	4.2
508.21732	1.4
517.22333	1.4
520.21155	1.4
521.22168	0.9
522.25464	0.7
535.23248	5.6
537.23645	1.2
549.24963	9.9
552.23389	1.0
553.24487	1.0
567.26080	48.4
568.26434	1.5
577.24445	1.0
595.25519	35.3
596.26202	0.9
627.28192	100.0
628.28900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
57.03431	1.1
61.02932	7.0
68.99776	0.2
69.03432	1.8
70.06606	1.5
70.57961	0.3
71.04991	0.4
71.40864	0.3
71.41201	0.2
72.08156	0.3
73.02920	2.1
81.03423	2.0
84.04501	0.5
85.02911	14.5
86.09737	0.3
87.04476	0.4
88.38998	0.3
91.03420	0.3
91.03965	6.2
91.04535	0.3
93.03419	0.3
95.04962	0.4
97.02895	5.8
99.04469	0.7
109.02907	1.3
111.00819	0.9
115.03925	0.4
121.02874	0.9
123.04429	0.3
127.03928	4.0
137.02350	3.7
137.03331	0.4
145.04976	3.4
145.06247	0.3
149.02380	0.4
153.01826	3.1
161.05939	0.3
163.03940	0.6
163.06030	2.3
165.01863	1.8
173.06027	0.4
183.02931	0.8
183.04472	0.2
193.12328	0.4
195.02956	0.3
201.05525	1.3
205.04987	0.3
219.02936	0.3
229.04976	4.0
234.33203	0.2
247.06062	0.6
257.04437	2.2
261.78696	0.2
267.15869	0.4
274.04657	0.5
285.04016	1.1
285.17020	0.6
303.05005	100.0
304.05441	0.6
315.05051	1.5
327.04935	0.6
341.06531	0.5
345.06046	2.3
347.30026	0.3
353.54214	0.2
369.06064	1.4
371.89569	0.3
381.06000	0.3
399.06952	0.3
411.07129	0.3
429.07831	0.3
439.92938	0.3
447.09109	0.6
465.10416	1.2
480.16330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03928	0.2
55.05517	0.6
55.51614	0.2
57.03439	0.3
67.05504	0.9
69.07072	0.3
70.10801	0.8
71.05011	0.3
79.05504	0.7
81.03418	0.8
81.07055	1.0
91.05502	0.6
93.07043	0.7
95.04974	0.4
95.08621	0.5
97.02865	0.3
97.06524	0.3
97.10194	0.3
98.21456	0.3
105.07056	0.6
107.08593	0.7
109.10130	0.4
117.07029	0.3
119.08569	0.3
120.98437	0.3
121.10085	0.2
131.08591	0.3
133.10146	0.3
145.10091	0.3
171.11913	0.2
171.60866	0.2
184.54381	0.2
187.49911	0.3
303.13544	0.2
319.81323	0.3
330.16162	0.3
376.17041	0.3
377.17822	0.6
391.19202	0.9
392.20215	0.5
393.16663	0.4
393.20990	1.9
395.22449	0.5
400.88956	0.3
404.20441	0.3
405.16632	1.9
405.21835	0.4
406.17880	0.9
407.17850	0.5
407.22806	3.0
408.23294	0.6
418.17752	0.3
419.18491	2.8
420.19357	1.8
421.16153	0.3
421.20340	3.4
421.24594	0.3
422.20865	0.6
423.22095	1.3
433.20285	4.1
434.21350	3.2
435.22067	5.1
436.22867	1.2
447.22562	1.5
448.18805	0.5
449.19601	6.0
450.20331	0.4
453.23145	0.4
461.19727	0.3
462.20438	0.4
463.20908	2.1
464.22330	1.6
465.18381	0.5
465.23843	0.4
466.24094	0.3
467.24484	0.6
477.23337	0.5
479.20685	2.3
480.21255	0.4
481.22238	2.2
493.22449	1.8
494.23209	2.9
495.23859	2.1
507.24185	9.3
508.24973	0.4
509.25446	0.7
510.26569	0.5
521.22449	0.6
526.26123	0.4
537.25482	0.6
539.22681	2.3
549.25006	1.5
552.22974	0.3
553.24506	0.9
566.25330	0.5
567.26154	19.1
568.26807	0.8
609.27563	0.5
627.28174	100.0
628.28253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01859	0.4
57.03432	0.8
60.07711	0.1
61.02927	7.3
68.99802	0.3
69.03086	0.2
69.03426	2.3
69.97072	0.5
70.06584	0.1
71.01324	0.2
71.04993	0.3
73.02512	0.1
73.02912	2.1
81.03078	0.1
81.03424	1.3
85.02906	13.3
87.04476	0.3
91.03956	5.7
93.03394	0.3
95.04964	0.2
97.02894	5.7
99.04446	0.7
103.03911	0.2
107.45365	0.1
109.02888	1.1
111.00795	0.9
115.03925	0.5
121.02868	0.7
123.04427	0.2
127.03925	3.3
135.04451	0.1
135.31973	0.1
137.02327	2.6
145.04959	4.2
145.06615	0.2
149.02332	0.3
153.01826	3.1
155.04919	0.3
161.05948	0.2
163.03894	0.5
163.06024	2.4
165.01857	1.9
166.02661	0.3
173.05946	0.3
177.05434	0.1
183.02995	0.6
183.04358	0.3
187.03955	0.3
195.02934	0.2
200.18896	0.1
201.05475	1.4
205.05070	0.2
208.91701	0.1
210.14633	0.1
213.05539	0.1
215.03281	0.1
219.02899	0.2
219.06593	0.3
227.95990	0.1
228.04108	0.2
229.04982	4.1
239.03377	0.2
247.06061	0.8
257.04425	2.6
274.04773	0.7
285.03879	1.2
302.04190	0.2
303.04984	100.0
304.05371	0.8
315.04919	0.4
341.06430	0.2
345.05978	0.8
369.06049	0.5
399.07071	0.2
429.08295	0.3
465.10385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.0
55.01868	6.6
55.05521	22.7
57.03442	5.3
57.07079	4.0
59.05013	1.7
65.03919	2.0
67.05511	43.9
68.22952	1.6
69.03431	1.7
69.07074	19.3
69.67775	1.6
70.70638	4.1
71.05000	2.7
71.08635	1.4
71.65964	1.5
72.08159	3.3
79.05505	32.6
81.03426	5.0
81.07064	47.9
83.04991	4.8
83.08626	11.3
85.06543	3.7
86.09721	14.4
91.05487	29.1
91.06029	2.4
93.07058	30.7
95.04974	5.4
95.08612	22.8
97.06540	7.3
97.10181	8.1
98.20808	1.4
103.05515	2.1
105.04622	1.6
105.07040	25.7
107.04174	1.6
107.04980	4.1
107.08602	20.8
109.02773	1.4
109.06535	2.5
109.10173	15.9
111.08087	2.8
115.05498	2.3
117.07042	14.7
119.08588	24.2
121.10167	12.0
123.08067	3.9
123.11732	6.7
125.09646	5.7
128.06255	3.1
129.07033	12.6
131.08583	23.4
133.10132	18.7
135.08072	2.8
135.11722	6.8
140.14331	8.1
141.06996	5.4
142.07784	3.8
143.08577	15.7
145.10118	20.8
145.49570	1.4
147.08063	2.0
147.11708	9.0
149.09668	4.1
149.13268	3.0
151.11133	3.8
151.14845	1.9
153.06984	2.0
155.08589	9.2
156.09366	2.9
157.10141	17.3
159.08182	2.1
159.11678	12.1
161.09702	3.0
161.13313	5.8
163.11200	2.7
167.08606	4.0
168.09383	2.6
169.10138	12.6
171.11664	11.7
173.11990	2.3
173.13199	8.3
175.14777	3.1
179.08633	2.4
180.09416	1.9
181.10214	6.0
183.11737	12.4
185.13310	8.6
187.14903	4.1
189.11215	3.4
193.10190	3.6
195.11758	5.5
197.13272	9.8
199.14894	6.5
201.16498	4.2
207.11775	3.0
208.12469	1.8
209.13316	6.7
211.14879	6.3
213.16467	6.0
214.14322	2.1
215.18008	2.5
221.13310	2.8
223.14854	3.8
225.16357	3.1
227.12843	7.0
227.17883	2.5
229.14334	2.3
235.14862	3.3
237.16473	4.0
239.18045	3.5
241.19629	3.0
243.16072	2.9
249.16417	2.5
253.19583	2.0
259.20740	3.9
269.18967	1.7
273.18521	4.0
275.20084	7.3
285.21823	4.2
291.19626	2.5
295.20642	1.5
313.21530	2.5
315.23135	2.0
327.23090	1.7
333.24524	2.4
335.26007	1.9
340.14877	2.0
349.24368	3.2
363.26926	2.1
365.28537	5.2
367.25983	3.5
379.30066	2.1
381.31760	3.0
421.31137	2.3
439.32199	2.3
484.33630	2.2
495.34830	2.3
513.35779	13.4
515.38843	5.7
527.37183	5.2
533.40125	9.1
551.40698	4.7
555.37164	3.0
589.42468	2.9
597.42871	5.9
607.43646	36.9
625.27704	2.8
625.44720	100.0
626.45691	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	625.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33755	2.1
53.03941	4.0
55.01870	16.1
55.05519	22.5
57.03439	5.8
57.07081	4.2
58.89719	1.8
63.22848	1.8
65.03954	2.5
67.05507	54.6
69.03441	2.7
69.07076	45.6
69.22527	13.3
69.22930	4.5
71.04978	3.8
71.17772	2.2
79.05497	43.5
81.03420	6.7
81.07066	54.9
83.04994	8.1
83.08626	11.7
85.06559	2.7
91.05483	46.6
93.07050	38.5
95.05001	9.6
95.08621	36.3
97.06551	21.3
97.10167	5.1
99.08105	3.5
105.07039	49.1
105.07687	3.1
107.04967	9.0
107.08604	24.0
109.06540	5.5
109.10147	12.6
109.20152	2.5
111.08104	3.9
115.05528	2.1
117.07034	15.4
119.08600	32.2
121.06557	3.1
121.10140	16.8
121.10807	1.8
123.08084	5.8
123.11737	3.4
125.09673	4.8
128.06242	3.8
129.07028	15.5
130.07814	2.8
131.08580	32.0
133.06541	4.5
133.10138	26.6
135.08061	2.9
135.11716	11.7
137.09634	4.4
141.07045	4.9
142.07791	3.0
143.08560	19.0
145.10152	28.8
147.11711	20.3
149.09665	7.2
149.13295	6.2
151.11241	2.7
151.75269	2.1
153.06970	1.9
155.08604	7.7
157.10129	16.6
159.08098	2.7
159.11714	18.9
161.09622	2.4
161.13307	12.4
163.11221	5.1
163.14790	1.9
167.08621	2.6
169.10144	10.1
171.11665	13.8
173.13208	10.9
175.11154	3.2
175.14839	6.5
177.12674	2.2
179.08604	5.1
179.14369	7.1
181.10205	5.3
183.11740	10.9
185.13229	12.0
187.11292	2.9
187.14948	5.3
193.10236	4.1
195.11684	9.4
197.13342	8.4
199.11215	2.7
199.14874	7.2
201.12953	2.0
207.11769	2.9
209.13344	5.5
211.14912	5.5
213.16542	3.0
221.13403	3.0
223.14871	6.2
228.92940	2.0
237.16443	3.5
239.18008	3.8
241.19638	8.2
253.19930	2.3
257.19089	4.7
259.20676	11.8
261.22244	2.1
273.18521	12.6
275.20139	23.1
277.21814	3.1
291.19730	4.2
293.21469	2.2
297.22327	4.2
315.23325	4.3
333.24341	11.5
347.22189	3.8
349.23834	15.0
352.25568	2.8
409.31284	3.0
409.76346	2.3
421.31012	2.9
435.32520	3.1
437.34134	7.4
464.54843	2.3
511.38223	5.2
513.35687	4.5
515.38647	4.8
527.37592	7.4
529.39166	4.1
533.39935	8.2
551.40875	5.3
555.37274	3.5
556.37891	2.5
562.38751	4.9
607.43628	44.8
625.26569	3.6
625.44714	100.0
626.44464	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37883	1.8
53.03944	2.9
55.01875	23.2
55.05515	18.8
57.03430	5.7
57.07067	5.8
58.63578	1.6
65.03939	4.8
67.05507	49.5
69.07073	47.4
71.04994	5.2
79.05492	43.6
81.03412	6.8
81.07063	54.6
81.07536	3.3
83.04990	8.1
83.08625	11.2
91.05485	47.1
93.07050	47.7
95.01330	3.0
95.04959	9.1
95.08609	38.8
97.06539	28.4
97.10181	7.9
99.08085	3.4
105.04517	2.0
105.07037	55.3
107.04948	10.6
107.08610	24.7
109.06519	7.7
109.10162	12.9
115.05447	3.4
117.07015	18.8
119.08590	38.3
121.06511	3.4
121.10132	16.7
121.53782	2.2
123.08063	5.5
123.11674	4.0
125.09663	6.7
128.06248	4.5
129.06993	14.6
130.07739	2.7
131.08565	29.7
133.06436	3.5
133.10127	29.0
135.08083	4.7
135.11703	12.9
136.87480	2.1
137.09570	4.2
141.07033	6.0
143.08566	16.8
144.09456	1.8
145.06544	2.4
145.10121	31.0
147.08115	3.1
147.11708	22.4
149.09627	7.0
149.13283	5.2
151.11137	2.0
155.08537	11.3
157.10121	18.2
159.08043	3.0
159.11717	20.6
161.13295	10.7
163.11244	6.3
163.14880	2.9
165.12822	2.3
166.07808	2.0
167.08546	5.7
169.10136	14.2
171.10281	3.8
171.11665	17.1
173.13272	11.2
175.14859	6.4
177.12781	2.0
179.08591	2.6
179.14330	7.5
181.10147	4.7
182.11021	2.4
183.11696	12.0
185.13287	12.7
187.11256	5.0
187.14847	5.3
193.10205	3.8
195.11766	7.3
197.13232	10.7
199.14896	8.1
201.16374	2.3
209.13332	3.6
211.14915	4.8
213.16405	3.6
215.18105	3.0
221.13286	4.5
223.14960	3.5
225.16437	3.4
235.15051	2.8
237.16441	3.5
239.18018	3.9
241.19525	15.6
243.21320	2.0
251.18048	2.6
257.19037	6.8
259.20615	18.7
273.18576	6.3
275.20120	34.2
277.21805	4.2
291.19724	3.5
293.21301	2.5
311.23541	2.7
333.24307	14.9
335.25912	2.1
347.22443	4.2
349.23718	26.6
351.25250	3.0
371.74298	2.1
435.32721	5.6
437.34232	9.8
453.35056	3.3
455.34708	2.6
511.38080	9.2
513.35724	6.1
515.38586	5.3
527.37427	11.0
529.39038	5.8
533.39899	7.6
551.41040	5.0
553.39569	2.1
555.36627	2.7
556.37799	3.1
579.46869	2.0
597.44769	3.9
607.43597	60.5
625.44641	100.0
626.43689	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	625.1765
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
53.03936	0.2
53.71418	0.1
55.01855	0.3
57.03436	0.7
61.02928	4.8
69.03436	1.9
69.07063	0.1
70.61073	0.3
71.04986	0.3
73.02921	1.6
81.03436	0.8
83.01348	0.1
85.02906	10.2
91.03423	0.2
91.03960	4.1
95.04955	0.1
95.86079	0.1
97.02894	4.2
98.21471	0.2
99.04460	0.5
101.02310	0.1
105.03402	0.2
107.04942	0.5
109.02890	0.6
110.88155	0.1
115.03923	0.3
121.02863	1.9
121.44387	0.1
123.04386	0.2
124.01550	0.3
125.02349	0.3
127.03925	2.4
133.02791	0.1
145.04962	2.5
147.04401	0.1
151.03900	0.6
163.06013	1.4
167.03386	1.9
179.03439	1.0
197.04521	0.5
199.07687	0.1
212.04614	0.2
217.08673	0.2
227.07002	0.6
240.04131	0.1
241.04744	0.2
245.08125	0.5
255.06468	0.3
257.04523	0.3
258.05249	3.7
269.22046	0.1
272.06836	0.6
273.07520	0.2
286.04709	3.5
289.48132	0.1
300.06195	0.2
301.07062	100.0
302.07394	1.3
313.07123	0.7
320.98703	0.1
343.08145	0.7
367.08139	0.4
397.09442	0.2
427.10135	0.2
463.12228	0.4
515.56500	0.1
555.45422	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71080	0.4
53.12980	0.4
55.01865	0.7
55.05510	0.7
61.63258	0.4
67.05505	2.1
69.07064	1.6
69.91883	1.1
69.92300	1.2
71.08605	0.9
77.83432	0.4
79.05507	2.6
81.03418	0.6
81.07060	2.2
83.02807	0.5
83.04980	0.4
83.08640	0.4
91.05489	2.4
93.07048	2.3
95.04958	0.7
95.08606	1.4
97.94630	0.5
99.08094	0.8
103.15929	0.5
105.07030	1.9
107.04983	0.6
107.08605	1.3
109.06530	0.7
109.10125	0.7
117.07037	1.0
119.08589	2.1
119.88157	0.4
121.10127	1.0
129.07025	0.6
131.08607	1.0
133.10172	0.9
135.08096	0.5
135.11716	0.8
145.10130	1.0
157.10185	0.6
159.11752	0.6
161.13297	0.6
163.11168	0.5
179.14297	1.8
209.10773	0.5
215.17841	0.5
223.12596	0.5
248.72148	0.4
260.36685	0.4
275.20154	1.2
277.21698	2.0
291.19574	1.1
298.13452	0.7
312.15054	0.5
313.85498	0.5
326.16388	0.6
331.23004	0.5
357.14722	0.5
377.17612	1.0
378.18579	0.9
389.17935	0.6
390.18576	1.7
391.19208	3.9
392.19943	2.2
393.21191	1.0
403.19733	0.9
404.20245	1.1
405.20764	9.1
406.21335	2.4
407.22388	5.3
417.21344	0.9
419.22528	3.5
420.23227	2.8
421.16077	0.5
421.18234	0.7
421.23901	7.3
422.17551	1.1
422.24927	0.6
433.24823	2.5
434.24762	1.5
435.18378	2.5
435.24997	0.7
436.19110	2.0
437.19894	1.0
445.20386	0.9
447.21948	1.3
449.20059	1.5
450.20471	2.2
451.21310	17.9
452.22003	3.9
460.23062	0.5
461.23993	1.0
463.21689	1.0
464.22290	1.6
465.22913	14.5
466.23605	3.2
472.18356	0.6
473.19437	0.7
475.19934	0.6
475.25162	1.4
477.26440	1.7
478.23785	0.8
479.24460	2.7
487.21548	0.9
488.22025	1.0
491.20920	1.4
492.21750	2.0
493.26093	10.7
494.09476	0.5
494.26590	1.2
502.23367	0.6
503.24512	6.8
504.25809	0.6
505.22263	1.0
506.23260	0.7
509.21921	4.1
519.23364	0.8
521.25543	7.9
523.23456	9.7
537.25134	5.0
538.25793	17.4
547.23621	2.8
565.24445	8.7
565.32629	0.8
566.25049	2.4
581.27582	6.0
607.25732	5.2
607.43878	0.6
625.26599	100.0
625.43866	3.4
626.26837	2.0
640.61273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	33.0
57.03431	18.8
57.07079	33.6
66.69237	8.5
67.05502	36.7
69.07064	36.8
78.69200	9.5
79.05506	43.5
81.07066	50.7
83.08627	33.2
91.05478	22.3
93.07058	55.9
93.19743	11.2
95.08598	47.4
97.10145	10.5
98.20756	22.9
98.21458	36.6
105.07050	18.6
107.08597	26.9
109.10107	10.0
109.54757	8.8
119.08574	13.7
121.10149	27.8
123.11741	9.4
131.08568	12.5
132.20702	9.4
133.10123	13.0
135.11697	17.1
147.11700	13.0
159.11737	10.2
164.31961	9.5
168.67815	10.8
173.13319	16.7
177.16435	11.4
180.00906	10.7
200.18843	9.0
243.21210	12.5
259.20685	10.4
261.22186	32.1
311.25861	77.5
313.27512	20.4
333.24292	10.4
335.25784	100.0
497.43533	11.7
541.68207	11.4
571.47290	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	624.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	25.3
57.03423	10.9
57.07082	48.4
67.05517	48.9
69.07056	24.3
69.75858	8.4
70.03574	8.0
71.08635	38.4
78.24606	8.5
79.05501	51.8
81.07069	51.6
83.08637	18.9
85.10183	19.0
89.76044	7.8
91.05493	63.4
93.07054	52.0
95.08627	57.5
105.07048	59.0
105.45525	7.5
107.08596	26.3
109.10155	19.6
112.01078	9.0
117.07024	19.6
119.08593	45.6
121.10188	19.8
130.40211	7.3
131.08562	29.4
133.10185	56.1
135.11711	13.7
145.10106	17.2
146.84828	9.2
147.11711	44.1
149.13283	11.3
159.11603	19.8
161.13240	33.8
173.13263	9.0
231.21091	10.3
241.19496	33.6
259.20590	97.2
261.21756	7.8
311.25742	21.3
312.12857	7.4
313.27304	100.0
333.24203	70.4
335.25681	14.1
457.89798	9.9
571.47015	22.6
589.48193	21.7
616.10028	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1766
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
53.03942	0.3
55.01873	0.3
55.36445	0.1
57.03434	0.8
59.04990	0.1
61.02929	5.5
69.03432	2.1
69.03818	0.1
69.34467	0.1
69.34872	0.4
70.06587	0.2
71.04996	0.3
73.02919	1.7
81.02985	0.1
81.03427	0.9
83.01364	0.1
85.02908	10.6
87.04472	0.2
91.03960	4.1
95.04974	0.2
97.02897	4.5
99.04462	0.6
101.02390	0.1
103.03961	0.1
105.03420	0.2
107.04948	0.7
109.02882	0.6
111.75601	0.1
115.03953	0.3
116.52235	0.1
121.02866	1.9
123.04436	0.2
124.01581	0.3
125.02369	0.2
127.03922	2.2
133.02849	0.2
134.03624	0.1
135.04396	0.1
137.12674	0.1
139.03871	0.1
141.05493	0.1
145.04959	2.9
147.04391	0.3
151.03891	0.5
163.06035	1.2
167.03418	2.2
168.05719	0.1
179.03416	1.1
184.05206	0.1
185.05945	0.1
197.04437	0.5
199.07555	0.2
203.03455	0.1
203.07115	0.1
212.04684	0.3
217.08549	0.1
227.04939	0.1
227.07025	0.9
229.05124	0.1
240.04144	0.1
241.04942	0.2
243.06648	0.1
245.08203	0.5
255.06592	0.4
257.04538	0.3
257.08075	0.1
258.05258	4.4
272.06808	0.7
273.07480	0.3
283.05954	0.1
286.04721	4.0
296.66000	0.1
299.05463	0.1
300.06390	0.1
301.07065	100.0
302.07425	1.2
313.06946	0.4
317.06528	0.8
339.08649	0.2
343.08252	0.4
367.08170	0.2
392.37512	0.1
409.09085	0.1
445.11023	0.1
463.12265	0.2
465.14847	0.1
625.30042	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29593	0.2
60.04532	5.0
68.05029	0.5
69.07080	3.0
69.60805	0.2
70.02982	0.3
70.06596	100.0
70.76609	0.6
71.06934	0.3
82.06553	0.3
83.95435	0.2
86.02441	0.3
86.09711	19.8
87.05601	0.3
91.04961	0.5
91.05482	3.7
97.06589	0.4
97.07674	2.2
98.06065	5.5
103.05499	0.8
105.03398	1.2
106.06571	0.5
107.04980	0.7
109.07684	0.8
111.04350	0.5
111.09259	0.2
115.08704	4.5
118.06549	9.9
119.04982	0.6
119.07349	1.4
120.08111	4.2
123.04488	0.5
125.07120	3.4
126.05552	2.1
130.06569	0.9
131.04901	0.3
132.08124	0.5
134.06075	0.3
136.07584	5.2
136.08597	0.5
137.07109	4.2
144.08110	0.6
145.06590	0.3
146.06017	20.7
147.04417	0.3
148.07616	0.8
152.08231	1.1
153.08997	3.2
153.13913	0.3
160.07550	1.2
164.07121	0.9
165.05508	1.3
165.13924	0.4
167.08638	0.7
167.15475	0.4
169.10107	0.3
170.09680	0.8
172.11220	26.1
174.05591	1.0
176.07063	0.3
177.10309	0.3
180.11411	0.7
181.13403	0.5
182.08171	2.2
183.14938	8.2
187.08704	0.5
187.12341	2.2
188.07089	2.0
188.14435	0.6
193.13382	0.5
194.14195	0.7
195.08177	0.5
196.11290	0.3
197.10974	0.3
199.12338	1.7
205.09775	1.1
210.15932	0.3
211.14429	11.3
213.66792	0.3
215.11888	0.9
216.12585	7.4
217.09825	0.6
217.13403	1.6
219.08096	0.9
223.07538	3.3
223.10858	1.0
225.10289	1.1
228.10356	0.4
228.17108	0.3
229.73659	0.3
233.09221	9.6
235.07803	0.3
236.10701	6.0
243.11314	2.1
246.09149	0.3
248.10814	0.3
249.08723	3.0
251.10342	0.5
254.13029	0.8
260.10757	0.4
261.08688	0.3
264.10291	0.9
265.08582	3.4
269.11340	1.4
270.11417	1.6
278.11826	0.4
279.09866	0.6
282.11285	4.7
295.09354	1.0
299.14075	0.3
301.06912	0.2
309.12305	0.4
310.10843	0.3
310.19229	0.4
312.20694	3.7
322.10715	0.3
323.14017	1.1
327.13397	0.5
330.21341	0.3
338.18814	1.0
356.19693	14.4
357.14603	1.7
357.19073	0.3
369.14435	1.7
386.17160	0.4
396.15585	0.8
397.13898	0.5
414.16693	4.1
424.15140	0.5
442.16113	2.4
483.22327	1.5
493.20853	0.4
511.21924	21.8
512.22284	0.5
514.74597	0.3
606.29199	0.5
624.30292	50.1
625.30872	1.2
629.70538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
53.34714	2.0
55.01863	5.0
55.05516	25.9
57.03439	15.3
57.07070	5.3
57.40456	2.2
59.04994	6.5
65.03936	3.1
67.05510	100.0
69.03437	29.8
69.07072	13.6
71.01369	2.6
71.04993	8.7
73.02912	3.3
74.02747	2.2
79.05495	43.3
81.03430	46.2
81.06589	4.5
81.07060	56.6
83.04983	23.1
83.08638	14.9
85.02907	5.3
85.06534	2.4
85.16202	2.1
91.05484	34.6
93.07053	43.1
95.04980	10.0
95.08613	34.7
96.01820	2.6
97.02909	17.0
97.06532	6.4
97.10182	12.2
98.21530	5.4
99.04440	5.6
99.08099	3.8
105.07047	24.2
107.04964	6.5
107.08598	21.7
109.02883	8.8
109.06523	7.0
109.10166	56.7
111.04463	9.9
111.08109	3.9
117.07021	13.0
119.08587	23.7
121.06545	3.3
121.10161	17.7
123.04477	3.4
123.08077	5.1
123.11726	6.2
125.09639	12.4
127.03941	10.5
128.06125	2.5
129.05484	13.0
129.06979	12.5
131.08588	21.9
133.10147	22.0
135.08055	6.8
135.11674	15.6
137.09641	8.2
139.11122	2.5
141.06970	4.9
143.08571	8.5
145.10115	15.8
147.08092	5.7
147.11700	9.1
149.09601	10.9
149.13306	4.3
151.11244	2.9
155.08595	6.3
155.10646	3.0
157.10149	9.7
159.11749	10.6
161.09634	5.5
161.13272	5.4
163.07477	2.3
163.11237	3.6
169.10133	5.2
171.08119	3.0
171.11688	7.9
173.09651	4.6
173.11774	17.7
173.13286	6.1
175.11276	5.6
183.10179	2.7
183.11778	5.8
187.11205	3.7
189.11237	7.0
189.12822	5.2
193.12201	2.5
195.11740	3.7
197.13321	4.0
199.14877	3.2
200.57333	2.3
203.10851	4.0
211.11165	2.8
213.12819	3.5
213.16467	3.4
215.14252	4.2
215.18030	5.6
217.19554	3.7
221.13300	3.0
227.12737	12.1
229.14342	33.1
231.17575	5.1
233.18997	5.9
245.13812	3.2
245.19293	2.4
249.18468	2.9
255.17621	3.4
273.18750	4.2
275.20126	3.4
291.19473	2.5
299.14963	4.6
301.21857	2.7
305.21188	2.3
307.22638	17.1
309.24268	9.9
311.19827	2.5
323.20071	5.3
341.21069	9.4
359.22189	9.2
371.17163	4.2
373.18597	10.5
377.23300	2.8
397.62378	2.4
415.24759	3.4
433.26059	6.6
441.88623	2.4
451.26932	3.5
461.32507	8.8
479.33478	5.9
557.33954	2.6
569.34680	5.0
587.35486	10.2
605.36786	48.5
623.28278	4.7
623.38196	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.9
64.14319	0.7
67.05521	0.9
70.00652	3.4
71.25773	0.8
79.05522	0.8
81.07047	1.1
91.05496	1.3
95.08640	1.2
103.38410	0.8
105.07089	0.9
109.10135	0.9
119.08601	1.1
127.15726	0.7
313.27081	1.1
387.16724	1.0
401.18158	1.0
404.20694	1.3
405.21042	1.9
414.37769	1.0
415.19305	2.3
419.18484	1.3
421.24066	2.5
427.19608	1.1
429.20828	2.9
430.22144	1.5
433.20084	2.9
443.22519	1.7
444.23535	1.3
445.20496	1.8
447.18341	3.4
448.22397	1.4
457.24448	1.8
459.22110	2.2
460.22632	3.2
461.19540	10.6
472.22534	1.0
475.21573	3.4
476.21912	14.1
485.23535	8.7
486.20557	3.1
487.25107	1.8
488.22223	2.4
489.22763	1.7
497.23807	1.3
503.24445	8.0
504.21481	0.9
513.23169	1.4
515.24506	8.5
521.25470	8.5
531.23999	13.7
535.23230	1.5
536.23907	2.6
545.25592	3.3
549.25061	14.9
559.23456	6.3
560.39313	1.1
563.26392	3.4
591.16504	1.7
591.26038	33.7
605.27271	1.1
623.28613	100.0
624.29382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72781	0.4
54.02256	0.5
69.29107	1.6
69.29522	2.8
69.56516	0.4
82.23716	0.5
90.66196	0.5
121.79263	0.4
165.82813	0.5
168.00400	0.5
170.73595	0.6
178.53546	0.5
191.96361	0.4
237.13739	0.6
308.79440	0.5
376.17075	0.6
377.17706	0.8
388.17450	0.7
389.18396	0.9
390.18314	0.8
391.19305	2.6
392.20145	2.6
393.20868	0.8
399.16147	0.7
400.16724	1.2
401.17621	1.3
402.19189	1.2
403.19177	1.0
404.20438	1.1
405.20917	3.3
406.21472	3.2
407.22305	10.2
413.17477	1.7
414.18445	2.0
415.19260	3.8
416.20355	0.7
417.21225	1.1
419.18079	1.0
419.22659	1.5
420.23148	1.5
421.23871	9.3
422.24634	1.6
427.19208	2.0
428.20114	2.2
429.20816	10.5
430.21616	1.8
431.22781	0.8
432.18954	0.5
433.19821	0.7
433.24225	1.6
436.89651	0.6
442.21790	1.1
443.22647	6.0
444.23630	3.7
445.20346	1.5
447.18268	1.5
448.18585	0.6
449.23352	0.8
455.18619	0.7
456.19690	1.3
457.19232	1.0
457.23975	2.7
458.25070	4.2
459.21808	7.3
460.22928	1.1
461.18912	3.4
462.20377	1.9
463.21091	1.2
470.21188	1.4
471.22137	1.0
472.22867	4.8
473.23401	2.1
475.21201	5.6
476.21588	4.5
477.22577	2.3
483.17749	0.5
485.23563	13.4
486.20328	2.7
486.24478	2.1
487.24817	0.7
488.22055	1.2
489.22870	3.0
493.26413	1.1
499.21188	4.2
500.22318	2.2
502.23654	1.6
503.24622	6.0
504.20929	0.7
507.23819	0.6
513.22736	3.6
514.23602	1.6
515.24219	0.7
517.26202	7.7
529.26025	1.2
530.23145	0.6
531.23956	1.3
535.27185	5.3
540.72119	0.5
545.25513	72.3
546.25513	1.4
562.25708	0.7
564.27234	1.9
573.15961	1.0
573.24969	17.3
591.25873	1.0
605.27643	85.5
606.27502	1.4
623.28674	100.0
624.28802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68608	0.3
55.05512	0.7
58.58448	0.4
62.72050	0.3
67.05486	1.0
69.07067	0.5
70.12685	0.4
79.05498	1.3
81.07069	1.5
83.04952	0.4
89.03467	0.4
91.05480	0.8
91.21998	0.4
93.07061	1.0
95.04993	0.4
95.08598	0.8
97.10161	0.4
98.20778	0.8
105.07023	0.7
107.08588	0.9
109.06544	0.4
109.10170	0.5
119.08604	0.6
120.64919	0.4
133.10136	0.4
142.12065	0.3
145.10173	0.7
159.08167	0.4
171.11786	0.5
173.13408	0.4
237.13942	0.4
352.14777	0.4
360.14661	0.4
389.17801	0.7
390.18338	0.5
391.19189	1.0
401.18018	0.5
402.19016	0.4
403.19412	1.2
404.20297	1.0
405.20923	1.6
407.17526	0.4
407.22437	1.4
413.17682	0.6
415.19400	1.2
416.20319	0.8
417.16229	0.7
417.21536	1.9
418.21973	0.8
419.23093	2.4
420.23090	1.5
421.24249	0.7
430.17975	1.4
431.17758	2.8
432.19443	1.5
432.24136	0.6
433.20166	6.1
434.20831	0.8
443.18933	1.3
444.19156	2.4
445.20020	5.1
446.21375	3.0
447.22226	4.4
448.22644	1.4
449.23624	0.8
457.20001	0.4
458.20975	6.7
459.21811	4.8
460.22949	3.5
461.19711	0.8
462.20505	0.8
463.21304	2.0
471.22073	0.5
472.22751	0.6
473.23441	1.0
475.20923	0.9
476.21863	1.4
477.22943	2.3
486.24408	0.5
489.18369	0.4
491.24579	0.8
501.22641	0.5
503.24683	0.8
504.25171	0.5
505.22150	0.7
511.37973	0.6
517.22437	1.0
518.23151	4.5
519.23749	1.0
521.22028	1.1
530.22998	0.5
531.24280	0.8
532.25012	0.5
533.25616	7.2
535.27777	1.9
545.25354	2.5
546.26453	1.2
548.24750	0.5
562.25391	0.4
563.26709	5.1
567.40503	0.6
573.25006	0.8
577.27924	1.0
591.26270	1.2
605.27643	11.0
606.28613	0.5
623.28656	100.0
624.28772	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	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16065	0.8
51.02380	0.9
52.59196	0.7
52.69447	0.6
52.96722	0.7
53.03947	3.7
55.01873	4.9
55.05271	1.0
55.05516	14.1
57.03444	6.0
57.07077	0.9
57.32749	0.7
60.50546	0.7
61.02929	19.9
65.03933	2.8
65.28690	0.7
67.05509	36.1
69.03432	4.9
69.07072	11.2
70.63924	1.5
70.64297	1.5
71.01357	0.7
71.04990	4.0
73.02922	6.0
73.06521	1.1
77.03921	0.8
79.05501	27.1
81.03432	8.1
81.07060	32.6
83.05016	4.0
83.08625	9.0
84.08130	0.7
85.02431	1.4
85.02911	17.0
85.06545	1.9
90.92780	0.7
91.03964	8.6
91.05484	38.9
93.07048	26.2
95.04964	6.3
95.08611	19.3
97.02890	11.3
97.06550	5.4
97.10168	4.2
99.04449	2.3
99.08086	0.9
101.02361	0.8
103.05460	2.6
105.04542	1.2
105.07035	28.2
107.04955	6.9
107.08604	13.1
109.02876	1.6
109.06512	4.7
109.10169	8.7
111.04427	1.7
111.08080	3.8
115.05461	3.7
116.06228	1.6
117.07022	21.8
119.04939	1.4
119.08596	16.1
121.06485	4.6
121.10146	9.7
123.04460	1.2
123.08073	4.2
123.11681	1.2
125.09608	2.7
127.03937	3.0
128.06216	6.6
129.07013	27.7
129.79465	0.8
130.07855	1.0
131.04909	1.4
131.08574	32.5
133.06471	5.0
133.10141	11.6
135.08081	3.8
135.11679	3.8
137.09578	1.9
139.11264	1.1
141.06998	12.1
142.07802	2.7
143.08566	23.3
145.06497	6.8
145.09059	1.4
145.10127	15.6
147.08023	5.8
147.11678	4.5
149.09634	6.0
149.13274	1.7
151.11127	1.0
153.06969	2.0
154.07761	2.5
155.06027	1.1
155.08557	21.1
156.09323	1.0
157.06503	2.6
157.10139	14.4
159.08023	5.3
159.11681	9.4
161.09637	3.6
161.13239	2.2
163.11188	3.7
165.07028	2.6
166.07811	1.5
167.08563	10.4
168.09358	1.5
169.10136	12.7
171.07996	3.4
171.11717	10.5
173.09615	2.8
173.13271	2.7
175.11208	3.3
177.12750	2.8
178.07767	0.9
179.08560	4.2
180.09406	1.2
181.06566	0.8
181.10130	9.9
182.10857	1.0
183.07979	1.2
183.11693	7.7
185.09677	2.9
185.13223	6.6
187.11218	2.3
187.14853	1.9
189.11273	1.2
189.12788	1.8
193.10135	4.7
193.12109	1.5
194.10927	1.4
195.11699	11.0
197.09645	2.3
197.13249	6.8
199.11238	3.0
199.14847	3.0
201.12775	2.7
203.14310	2.4
205.10156	1.4
206.10939	1.0
207.11717	4.6
207.13466	0.9
209.13301	6.2
211.11227	2.8
211.13141	0.9
211.14870	4.9
213.12778	3.0
213.16389	2.5
215.14447	3.9
217.15984	1.3
219.11810	2.0
221.13306	6.6
221.15282	1.4
223.11192	1.2
223.14819	4.7
225.12805	3.0
225.16422	2.1
227.14438	1.6
229.16127	1.3
231.13814	1.4
233.13313	1.6
235.14827	3.3
237.12717	1.4
237.16428	2.2
239.14241	5.0
241.15985	1.4
245.15515	1.7
247.14842	1.0
251.14293	1.3
252.52466	0.9
253.16057	4.3
257.15433	2.8
259.16861	1.7
267.17838	1.3
271.17047	3.9
273.18744	0.9
275.16422	1.4
275.20135	1.4
285.18417	1.1
286.30655	1.0
289.17886	1.3
291.30182	0.8
303.19547	1.3
305.22815	1.3
315.20953	1.8
323.23694	4.6
333.22177	11.4
341.24762	7.2
351.12357	1.0
351.23221	33.0
369.24271	30.9
369.27850	0.7
387.25342	16.6
415.28427	2.2
425.26810	7.7
433.29892	1.7
443.27960	100.0
444.28125	2.3
461.29019	73.7
462.28537	1.1
485.28717	1.3
503.29868	1.9
569.30853	1.2
587.31396	2.7
605.33020	2.1
623.34131	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
53.38118	1.0
55.01862	3.0
55.05523	8.5
57.03427	3.5
57.07078	1.2
61.83837	1.1
63.81565	1.0
65.03937	1.2
67.05510	16.6
69.03448	1.3
69.07071	5.5
70.98519	2.0
71.08658	1.2
77.86718	1.0
79.05501	11.6
81.03421	5.3
81.07068	13.9
82.42491	1.1
83.04969	1.5
83.08621	5.5
91.05491	12.8
93.07047	9.4
95.04965	2.4
95.08615	7.5
97.06504	1.7
97.10166	4.8
105.07054	7.5
107.04963	2.8
107.08594	6.2
109.06552	1.2
109.10152	3.8
117.07015	4.9
119.08619	5.0
121.10154	1.8
125.09639	4.2
128.06200	1.7
129.07004	5.4
131.08586	6.4
133.06529	1.3
133.10132	4.1
141.07013	2.1
143.08598	4.9
145.10147	4.8
147.11682	1.4
149.09677	1.6
149.13210	1.0
152.61801	1.3
155.08559	2.2
157.10205	1.9
159.11708	3.8
161.13332	1.4
167.08516	1.6
169.10152	3.4
171.11693	2.4
173.13281	1.3
181.10152	2.1
183.11729	3.7
185.13232	2.0
187.14790	1.7
189.11230	1.5
195.11722	1.6
197.13297	1.8
199.11296	1.2
199.14713	1.3
207.11681	1.4
209.13304	1.9
227.12817	2.0
239.18134	1.3
271.13129	1.3
275.20120	3.1
291.19534	3.0
311.09540	1.1
323.75949	1.4
335.26276	1.6
363.26660	1.6
376.17545	1.4
377.17648	2.6
386.15668	1.2
389.17996	1.4
391.19040	2.3
392.20001	1.5
393.20767	1.9
401.17761	3.4
407.22452	2.9
413.17496	2.5
414.18512	3.3
415.19406	3.7
416.20154	1.9
417.20963	1.7
419.18738	2.5
428.19879	3.3
429.20938	3.2
430.22003	1.4
431.18567	1.7
433.16318	1.3
435.21802	2.8
443.18188	2.2
443.23349	1.5
444.19531	3.5
445.20691	1.7
446.21857	1.8
447.17712	2.7
448.19357	1.7
458.21353	1.5
461.19550	2.4
463.20844	2.1
471.22296	7.4
472.18695	1.8
473.19168	2.0
473.24390	1.5
474.20236	1.6
475.21219	2.0
476.18408	2.0
485.19727	2.4
486.20477	4.0
489.23474	6.3
490.20041	3.0
493.77301	1.4
499.21341	16.7
500.18265	2.0
501.23294	5.5
503.20874	3.9
507.24002	2.2
508.24515	1.6
513.19135	1.9
517.22424	11.4
525.35620	3.2
527.20752	2.7
529.22461	11.5
535.23889	2.1
545.21881	41.7
549.39203	1.5
555.20471	2.1
563.23450	2.3
564.23541	2.9
573.21326	14.5
605.23999	99.4
605.41699	5.8
606.24640	1.8
623.25031	100.0
623.42975	32.3
624.25159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01864	12.4
55.05513	14.2
57.03447	24.6
57.04663	2.7
57.07077	26.9
65.03941	5.3
67.05183	5.1
67.05511	50.7
69.07079	16.3
69.99924	2.7
71.08646	16.8
71.52964	3.7
71.53362	3.9
76.38297	3.3
78.82629	3.0
79.05499	26.5
81.07061	38.6
83.05012	4.3
83.08628	16.5
85.06536	12.8
85.10178	12.2
91.05475	28.8
93.07053	25.0
95.04977	49.4
95.08620	25.8
97.06540	3.7
97.10152	6.6
105.07035	22.3
106.94073	3.3
107.04957	15.1
107.08604	17.4
109.06522	59.9
109.10172	11.7
113.06020	31.2
114.52190	2.6
117.07001	9.3
119.08579	10.5
121.06493	4.9
121.10166	6.0
123.08057	4.6
123.11704	3.6
129.06992	7.0
131.07747	3.0
131.08571	15.3
133.10150	8.1
135.07118	4.6
135.08066	48.0
135.11728	5.0
137.06056	2.7
143.08589	6.8
145.10117	10.6
147.08015	6.4
147.11693	3.4
149.09663	4.6
149.13231	4.2
157.10141	9.1
159.11690	5.8
161.09648	6.4
169.10136	3.4
171.11676	4.8
172.52640	3.0
175.11147	3.3
195.13803	3.2
199.11102	3.5
199.14842	2.8
217.15875	13.1
232.12291	2.7
245.18968	3.3
255.17400	4.2
273.18509	48.7
279.10925	2.8
291.19577	100.0
292.19934	2.7
307.18579	3.8
308.21948	3.2
313.27399	50.9
347.22256	9.9
365.23334	12.2
370.93558	3.0
433.15247	3.3
503.46506	3.0
509.39053	3.8
514.75085	3.1
558.28595	3.9
562.29553	3.2
585.45032	9.5
603.46259	51.4
621.27423	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	622.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.5
55.05511	11.5
57.03443	10.1
57.60914	2.0
57.67102	1.8
59.04993	2.2
59.61982	2.0
67.05521	21.7
69.03416	3.7
69.07075	6.6
71.04974	5.5
71.53143	2.9
79.05502	20.5
81.03422	53.5
81.07063	20.7
83.04974	3.9
83.08624	13.2
85.02934	2.7
85.06546	2.5
91.05482	22.7
93.07043	16.4
95.04977	22.2
95.08616	11.5
96.84383	2.2
97.02908	2.9
97.06555	3.6
97.10170	8.9
105.07036	13.0
107.04971	13.3
107.08592	9.3
109.06527	7.6
109.10170	4.8
111.08076	4.2
115.05435	2.6
117.07024	6.9
119.08590	10.0
121.06512	8.7
121.10154	8.9
123.08061	4.0
125.09608	7.8
129.07018	4.8
130.88948	1.8
131.04974	3.7
131.08572	9.0
133.06480	2.7
133.10159	4.9
135.08046	4.4
135.11655	4.2
141.07092	2.6
145.06517	4.5
145.10146	6.5
146.86142	2.0
147.08089	4.8
147.11688	7.4
149.09612	7.9
151.51038	2.1
157.10159	8.7
159.11713	4.8
163.03957	3.3
163.07448	2.4
163.11258	5.8
164.04323	2.6
167.10764	2.5
174.17171	1.8
175.11160	7.5
189.11281	4.0
193.12233	18.6
194.12624	2.4
201.05505	3.2
211.13380	2.6
219.13800	4.7
225.56526	2.1
233.15242	3.1
241.43887	1.8
267.15930	54.9
273.14572	2.4
273.17111	2.8
281.44965	2.0
293.17599	4.4
331.81821	2.0
349.21674	3.5
367.22736	12.8
385.23700	16.6
403.24881	5.5
441.26199	6.8
459.27451	100.0
459.33942	4.8
460.27701	2.2
477.28558	62.1
491.30057	12.4
509.30936	8.4
522.34265	5.3
554.36725	3.1
604.30133	5.2
604.40637	2.4
622.31451	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	621.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
53.41899	1.2
55.01876	6.4
55.05514	24.7
57.03443	10.9
57.07067	1.6
61.02939	2.4
64.26259	1.2
65.03936	3.6
67.05508	37.5
69.03415	14.4
69.07072	11.3
70.06593	1.9
70.86991	1.4
71.01350	1.3
71.05003	4.4
71.52736	2.1
73.02923	1.2
79.05493	33.8
80.09853	1.3
81.03423	100.0
81.07063	36.8
83.04996	12.6
83.08627	24.2
85.02905	19.6
85.03386	1.9
85.06544	2.1
91.05488	44.8
91.48573	1.3
93.07054	28.9
95.04979	34.5
95.08614	16.6
97.02908	15.3
97.06528	6.4
97.10169	11.6
99.04472	5.0
99.08066	1.3
102.20388	1.2
103.05485	3.2
105.07033	32.0
107.04948	13.0
107.08598	15.0
109.02886	23.3
109.06542	7.1
109.10156	10.1
111.04439	9.1
111.08076	6.9
113.05995	1.5
115.05484	5.2
117.07030	9.2
119.04945	2.4
119.08600	22.6
121.02920	2.0
121.06497	10.0
121.10126	9.9
121.61746	1.3
123.04461	5.7
123.08082	4.7
123.11747	2.7
125.02368	3.6
125.09655	6.4
127.03927	8.4
128.06250	2.8
129.07011	14.7
131.04979	3.6
131.08580	17.7
133.06546	7.4
133.10162	11.1
135.04459	4.4
135.08084	4.0
135.11731	5.1
137.06081	3.3
137.09654	4.7
141.07037	4.7
142.07806	4.3
143.08569	4.2
145.06480	6.6
145.10156	5.7
147.04401	6.0
147.08028	7.8
147.11691	16.6
149.06036	3.5
149.09628	9.1
153.07045	2.6
153.12732	1.7
154.08655	4.7
155.08600	3.5
157.06519	6.1
157.10139	10.4
159.04442	3.2
159.08084	4.6
159.11774	2.9
161.06009	4.8
161.09705	2.7
161.13300	2.5
163.03880	6.1
163.11217	8.0
165.05597	1.3
165.07036	2.0
165.12810	4.4
167.08606	3.0
169.06560	2.5
169.10098	1.9
171.04456	2.4
171.08054	3.3
171.11742	3.0
173.04523	5.0
173.06061	5.9
173.09662	3.4
173.13313	2.0
175.03918	2.1
175.07585	1.5
175.11189	15.1
179.08620	1.2
181.06499	2.7
181.10204	1.9
181.12308	2.2
183.08035	2.8
183.11763	2.6
185.06046	4.7
185.09686	2.2
185.13403	1.4
187.03972	3.7
187.07632	2.1
187.11285	1.5
189.05537	4.9
189.11278	4.1
191.10733	2.9
193.06587	1.3
193.12250	31.2
193.13875	2.1
195.08127	3.0
197.06078	4.8
197.09727	1.4
197.13368	1.8
199.03946	7.5
199.07629	1.6
201.05553	2.0
201.12781	2.1
203.10655	2.2
205.12253	2.1
207.08180	1.8
209.06033	1.4
211.07634	3.4
211.13286	33.8
213.05510	12.1
213.12897	1.6
215.10757	1.3
215.14354	1.4
217.05020	5.7
217.12296	1.6
219.08121	1.9
219.13878	3.0
223.07680	2.1
223.11206	2.0
225.05560	4.6
226.06340	1.5
227.07106	2.7
227.12856	5.3
229.14397	1.7
235.13405	3.2
237.12863	1.7
239.07104	5.5
243.13968	2.0
245.11739	1.6
249.14914	3.5
253.14444	2.1
255.13887	2.4
259.13422	3.1
263.07169	2.0
263.12781	1.9
267.16019	14.2
273.15002	6.3
283.13446	3.3
285.17157	7.4
289.14343	2.6
291.16156	2.8
295.13373	1.4
301.14429	11.1
303.16171	2.3
309.14688	2.4
311.12943	3.3
319.15872	6.4
337.14542	10.2
339.23093	1.5
355.15735	4.8
367.22968	3.0
375.18207	4.5
385.23837	4.7
393.19147	4.7
403.24976	5.1
411.18005	11.7
429.19476	1.9
439.24725	1.5
441.26395	1.9
459.27557	11.4
477.28467	7.7
493.26096	2.5
495.29678	7.8
501.28021	2.4
503.27884	1.5
511.25937	2.3
519.28552	1.3
529.26312	8.0
531.29913	1.8
539.30273	2.4
547.27277	4.4
567.29419	2.9
573.30414	2.9
579.29602	2.4
585.30548	12.3
603.30804	20.2
621.32233	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
53.41899	1.2
55.01876	6.4
55.05514	24.7
57.03443	10.9
57.07067	1.6
61.02939	2.4
64.26259	1.2
65.03936	3.6
67.05508	37.5
69.03415	14.4
69.07072	11.3
70.06593	1.9
70.86991	1.4
71.01350	1.3
71.05003	4.4
71.52736	2.1
73.02923	1.2
79.05493	33.8
80.09853	1.3
81.03423	100.0
81.07063	36.8
83.04996	12.6
83.08627	24.2
85.02905	19.6
85.03386	1.9
85.06544	2.1
91.05488	44.8
91.48573	1.3
93.07054	28.9
95.04979	34.5
95.08614	16.6
97.02908	15.3
97.06528	6.4
97.10169	11.6
99.04472	5.0
99.08066	1.3
102.20388	1.2
103.05485	3.2
105.07033	32.0
107.04948	13.0
107.08598	15.0
109.02886	23.3
109.06542	7.1
109.10156	10.1
111.04439	9.1
111.08076	6.9
113.05995	1.5
115.05484	5.2
117.07030	9.2
119.04945	2.4
119.08600	22.6
121.02920	2.0
121.06497	10.0
121.10126	9.9
121.61746	1.3
123.04461	5.7
123.08082	4.7
123.11747	2.7
125.02368	3.6
125.09655	6.4
127.03927	8.4
128.06250	2.8
129.07011	14.7
131.04979	3.6
131.08580	17.7
133.06546	7.4
133.10162	11.1
135.04459	4.4
135.08084	4.0
135.11731	5.1
137.06081	3.3
137.09654	4.7
141.07037	4.7
142.07806	4.3
143.08569	4.2
145.06480	6.6
145.10156	5.7
147.04401	6.0
147.08028	7.8
147.11691	16.6
149.06036	3.5
149.09628	9.1
153.07045	2.6
153.12732	1.7
154.08655	4.7
155.08600	3.5
157.06519	6.1
157.10139	10.4
159.04442	3.2
159.08084	4.6
159.11774	2.9
161.06009	4.8
161.09705	2.7
161.13300	2.5
163.03880	6.1
163.11217	8.0
165.05597	1.3
165.07036	2.0
165.12810	4.4
167.08606	3.0
169.06560	2.5
169.10098	1.9
171.04456	2.4
171.08054	3.3
171.11742	3.0
173.04523	5.0
173.06061	5.9
173.09662	3.4
173.13313	2.0
175.03918	2.1
175.07585	1.5
175.11189	15.1
179.08620	1.2
181.06499	2.7
181.10204	1.9
181.12308	2.2
183.08035	2.8
183.11763	2.6
185.06046	4.7
185.09686	2.2
185.13403	1.4
187.03972	3.7
187.07632	2.1
187.11285	1.5
189.05537	4.9
189.11278	4.1
191.10733	2.9
193.06587	1.3
193.12250	31.2
193.13875	2.1
195.08127	3.0
197.06078	4.8
197.09727	1.4
197.13368	1.8
199.03946	7.5
199.07629	1.6
201.05553	2.0
201.12781	2.1
203.10655	2.2
205.12253	2.1
207.08180	1.8
209.06033	1.4
211.07634	3.4
211.13286	33.8
213.05510	12.1
213.12897	1.6
215.10757	1.3
215.14354	1.4
217.05020	5.7
217.12296	1.6
219.08121	1.9
219.13878	3.0
223.07680	2.1
223.11206	2.0
225.05560	4.6
226.06340	1.5
227.07106	2.7
227.12856	5.3
229.14397	1.7
235.13405	3.2
237.12863	1.7
239.07104	5.5
243.13968	2.0
245.11739	1.6
249.14914	3.5
253.14444	2.1
255.13887	2.4
259.13422	3.1
263.07169	2.0
263.12781	1.9
267.16019	14.2
273.15002	6.3
283.13446	3.3
285.17157	7.4
289.14343	2.6
291.16156	2.8
295.13373	1.4
301.14429	11.1
303.16171	2.3
309.14688	2.4
311.12943	3.3
319.15872	6.4
337.14542	10.2
339.23093	1.5
355.15735	4.8
367.22968	3.0
375.18207	4.5
385.23837	4.7
393.19147	4.7
403.24976	5.1
411.18005	11.7
429.19476	1.9
439.24725	1.5
441.26395	1.9
459.27557	11.4
477.28467	7.7
493.26096	2.5
495.29678	7.8
501.28021	2.4
503.27884	1.5
511.25937	2.3
519.28552	1.3
529.26312	8.0
531.29913	1.8
539.30273	2.4
547.27277	4.4
567.29419	2.9
573.30414	2.9
579.29602	2.4
585.30548	12.3
603.30804	20.2
621.32233	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.10662	0.4
67.05504	1.6
69.44929	2.4
69.45349	0.9
79.05494	0.9
81.07063	1.0
91.05482	0.9
93.07056	0.6
95.04954	0.6
105.07052	0.6
106.07447	0.5
107.12277	0.4
115.28748	0.5
122.46935	0.4
125.89622	0.4
132.25919	0.4
145.10220	0.6
145.91074	0.5
180.95012	0.5
213.87630	0.5
373.14435	0.6
375.16153	0.8
384.69009	0.5
387.16071	1.2
388.16904	0.7
389.17407	2.3
390.18420	0.9
391.19388	0.6
401.17920	0.8
402.18704	1.0
403.14749	0.5
403.19507	4.1
404.19904	2.0
405.20731	2.4
415.19412	0.6
416.16443	1.6
417.16989	2.9
417.21988	3.1
418.17368	0.7
419.22388	6.3
420.23169	0.7
430.17337	0.8
431.18311	7.0
432.18845	2.1
433.20178	2.6
444.19415	0.8
445.20361	5.1
446.21008	5.3
447.21829	10.7
458.20709	0.6
459.23019	2.1
461.19479	1.1
473.18628	0.7
473.24603	0.7
474.20438	6.0
475.21344	7.3
487.21362	3.2
488.22043	0.6
491.20477	1.0
501.22736	2.1
505.26047	1.4
518.22870	0.8
533.25586	15.2
561.24982	19.7
589.24573	0.9
593.27734	3.6
621.27100	100.0
622.27588	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.01805	0.3
52.30807	0.3
56.00646	0.3
69.20868	2.1
74.30548	0.3
76.47303	0.3
79.37062	0.3
249.10481	0.3
273.99283	0.3
375.16428	0.5
387.16449	0.5
388.17004	0.7
389.17719	1.8
390.18512	0.6
391.19370	1.0
401.18018	0.7
402.14258	0.3
402.18811	0.7
403.19421	4.2
404.20172	1.7
405.20850	1.1
415.19727	0.5
416.15802	0.6
416.20718	0.6
417.17059	2.5
417.21097	1.9
418.17322	0.5
418.22113	0.6
419.22400	5.2
420.23193	0.6
430.18076	1.0
431.18167	5.1
431.23657	0.5
432.18872	1.6
433.20087	2.0
443.18668	0.5
444.19800	0.3
445.20047	5.1
446.21033	4.0
447.21805	6.5
457.19858	0.4
459.17261	0.5
459.22269	1.1
460.18597	0.3
461.19693	0.9
462.20734	0.3
473.18704	0.5
473.24274	0.4
474.20404	3.7
475.21323	5.8
487.21454	2.5
488.21710	0.5
491.20361	0.5
501.22958	1.2
502.23157	0.4
505.25882	1.1
518.22766	0.5
519.19818	0.6
529.22174	0.6
533.25580	10.5
546.22882	0.5
561.24988	15.0
562.25275	0.8
589.24872	0.8
593.27734	2.9
621.27106	100.0
622.27417	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61905	0.3
69.26285	0.8
69.26704	1.9
81.06988	0.5
91.05353	0.3
95.08540	0.5
109.06416	0.3
116.10455	0.3
197.63982	0.3
209.10719	0.4
221.10631	0.5
233.10632	0.5
237.13823	0.4
291.19424	0.5
310.13431	0.3
313.27475	0.4
328.14453	0.4
372.14865	0.3
373.14548	0.3
374.15295	0.4
375.16040	0.9
376.17334	0.4
387.16290	0.8
388.17010	1.0
389.17709	3.8
390.18582	1.4
391.19073	1.1
401.17657	1.0
402.18976	1.6
403.14868	0.5
403.19354	6.9
404.20047	2.9
405.20926	1.9
415.19223	1.1
416.16251	1.2
416.20160	1.1
417.16995	4.2
417.21002	3.3
418.17059	0.5
418.21472	1.3
419.22397	9.8
420.23056	0.5
429.16608	0.4
429.21390	0.4
430.17050	1.4
431.18082	7.7
432.19156	2.6
433.20370	1.8
443.18665	1.1
444.19434	0.9
445.20114	7.7
446.21136	4.8
447.21857	11.5
457.20468	0.4
459.21802	3.2
460.18872	0.9
461.19748	1.2
473.19559	1.6
473.24289	0.9
474.20453	10.4
475.21323	16.4
477.22806	0.3
486.20428	0.5
487.21457	4.0
488.22131	1.3
489.22733	0.4
491.20233	0.5
501.22906	3.4
502.23886	0.7
503.20773	0.4
505.26587	1.4
506.23157	0.4
517.22614	0.9
518.23474	0.7
519.24115	0.4
520.24292	0.4
529.22260	1.0
531.36310	0.5
533.25549	13.1
546.22534	1.1
561.25000	75.2
562.25256	1.5
589.24072	2.1
593.27484	3.4
621.27100	100.0
622.27368	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.05516	6.2
57.03429	2.6
57.07082	3.4
66.75726	0.7
67.05505	9.8
69.07076	7.2
69.18187	6.5
71.04991	1.2
71.08630	1.6
74.09729	1.6
79.05502	4.0
81.03443	1.0
81.07069	9.7
83.04996	1.1
83.08618	4.6
85.10175	1.0
87.04487	3.1
88.12659	0.6
90.19392	0.6
91.05489	2.8
93.07047	3.7
95.04940	0.7
95.08617	5.9
97.06510	0.9
97.10178	2.7
98.98476	4.5
105.07027	3.0
106.43232	0.6
107.04993	1.2
107.08601	2.8
109.06528	1.5
109.10170	4.9
117.06996	0.8
119.08581	2.1
121.10146	1.7
123.08071	1.4
125.09654	0.7
131.08583	0.8
133.10147	2.2
135.11664	1.2
145.10150	1.3
147.11682	0.7
149.09735	0.8
155.01050	3.0
155.10663	0.7
161.09598	0.7
173.11766	0.7
173.13327	0.9
175.11250	0.7
183.00604	1.5
193.12331	1.1
211.13301	7.7
227.12910	1.0
229.14336	0.9
233.11588	0.8
237.22205	1.1
272.82922	0.7
273.18729	1.0
283.15167	12.4
283.18167	1.0
291.19470	0.8
309.11237	1.4
311.25870	2.9
337.27405	1.1
339.17853	2.9
365.13766	1.5
367.24890	0.7
383.14755	1.8
521.38751	2.1
601.44958	1.5
619.41895	100.0
620.42279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1821
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
52.04587	0.2
53.03949	0.3
55.01863	0.2
55.05514	2.1
55.38103	0.1
57.03442	0.6
61.02927	1.2
67.01878	0.3
68.99799	0.3
69.03436	37.0
69.88428	0.2
69.98045	0.8
70.06593	0.3
71.01361	1.4
71.05001	4.0
80.47196	0.1
80.69064	0.2
81.03408	0.2
81.07068	0.2
83.04991	10.1
85.02917	4.3
86.06057	0.2
86.09684	0.3
87.04487	0.6
99.04435	0.2
101.06007	0.4
105.03412	0.3
111.00823	0.5
111.04456	10.2
117.07095	0.2
121.02872	1.6
129.05493	20.1
136.06091	0.2
137.02354	0.5
147.04396	0.2
153.01848	1.9
161.05949	0.2
165.01826	1.0
171.04224	0.2
183.02939	0.4
189.07588	7.8
213.05513	0.6
231.06517	0.6
241.05008	0.9
258.05182	0.8
269.04248	0.2
287.05524	100.0
288.05786	0.7
325.17969	0.2
329.06476	0.3
397.09152	0.5
433.11362	9.6
475.12030	0.5
603.33807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05504	4.3
57.03441	21.7
61.02930	24.2
67.05508	13.8
69.03432	39.0
69.07080	7.8
71.01356	3.7
71.42323	5.2
73.02923	50.0
75.36527	2.1
79.05492	11.3
81.03411	14.1
81.07051	15.0
83.04951	3.2
83.08627	3.4
85.02911	100.0
87.04472	3.8
91.03966	26.1
91.05473	10.8
92.05783	2.8
93.07063	18.6
93.34977	2.3
94.07417	3.3
95.04951	8.5
95.08619	8.2
97.02898	67.2
97.06522	4.5
99.04455	6.1
103.03956	3.3
105.07029	15.4
107.04958	4.6
107.08603	10.9
108.08930	3.5
109.02893	7.9
109.06540	4.9
109.10171	7.4
115.03934	45.0
119.08576	7.3
120.08955	3.0
121.06510	2.9
121.10180	9.6
123.08075	3.3
127.03935	29.6
129.06972	2.6
131.08591	5.9
133.04999	16.2
133.06561	3.0
133.10136	6.8
135.08083	3.5
137.09558	5.5
143.08565	4.3
145.04965	51.0
145.10075	5.8
149.09587	3.9
149.13202	2.6
156.09290	3.4
157.10106	4.2
158.10495	3.3
159.11653	3.7
159.84132	2.7
161.09689	2.8
162.09985	2.7
163.06004	53.5
165.09224	2.9
167.10683	5.3
171.11755	3.9
221.15446	3.3
222.15700	3.3
223.05977	4.7
241.07112	7.2
259.08121	8.2
295.10205	22.8
325.11273	11.7
536.90009	2.6
600.40234	3.1
601.40552	2.7
618.41913	9.2
619.34381	9.3
619.42834	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	619.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01882	3.3
55.05502	6.4
57.03444	25.8
58.16632	2.4
58.96286	2.4
59.05008	2.9
61.02930	32.1
61.51892	2.6
67.05505	11.5
69.03429	36.4
71.01353	3.7
71.52784	2.9
73.02922	61.3
79.05499	9.0
81.03416	10.8
81.07071	9.9
85.02911	100.0
86.06055	2.9
87.04475	7.4
91.03958	32.7
91.05488	8.2
93.07063	15.5
95.04997	6.6
95.08614	5.7
97.02303	4.8
97.02904	66.2
99.04456	4.3
105.07052	13.4
109.02882	8.2
109.06496	3.2
109.10165	5.5
109.64000	2.6
110.06058	2.8
115.03951	52.0
117.07013	2.9
119.08585	10.1
121.10166	9.7
122.10480	3.7
127.03929	35.3
131.08598	5.6
133.04961	18.5
133.10123	6.2
135.08125	2.7
143.08609	2.7
145.04970	60.0
145.06026	4.4
145.10135	7.8
149.09589	3.2
150.09113	4.8
152.07939	2.9
155.08495	2.9
159.11664	4.0
163.06032	61.9
165.09085	6.0
178.08629	8.5
221.15395	6.3
222.15744	4.8
241.07111	5.8
258.14948	2.9
259.08151	8.9
276.15881	4.9
295.10248	19.6
325.11322	14.2
618.41498	11.7
619.40540	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	619.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30203	2.0
53.03951	4.2
55.01888	2.7
57.03445	21.7
59.05004	3.7
61.02935	26.3
67.05510	6.6
69.03433	29.3
69.07071	3.7
71.01344	3.9
71.52380	4.1
73.02926	62.2
79.05511	4.6
81.03422	8.6
81.07072	7.7
83.04990	2.2
83.08629	2.5
85.02913	100.0
87.04472	3.6
91.03960	29.0
91.05483	7.6
93.07062	8.3
95.04983	3.2
95.08620	4.6
97.02901	62.1
99.04439	3.4
103.03993	2.6
105.07035	9.7
107.08608	5.2
109.02895	5.3
109.10159	5.2
115.03933	51.4
115.55739	2.2
117.07079	3.1
119.08610	4.6
121.10188	4.5
122.10489	3.2
123.08084	2.8
127.03928	35.5
129.07028	2.3
133.04980	13.7
133.10167	4.4
145.04964	57.0
145.10141	2.6
147.11676	3.1
157.10086	2.9
163.06035	52.3
167.10820	3.4
200.14832	2.4
221.15393	4.0
223.06030	2.6
241.07088	8.9
259.08191	9.3
295.10257	19.9
325.11313	12.2
618.42444	4.7
619.37195	8.8
639.35144	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	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01873	6.3
55.05521	36.7
57.07064	8.8
65.03944	5.7
67.05508	29.5
69.03419	14.2
69.07055	19.8
71.02082	12.3
71.02429	5.5
71.04998	8.1
71.25933	4.7
79.05497	45.7
81.07059	58.2
83.04972	16.1
83.08611	44.8
86.09680	12.6
91.05488	52.1
93.07039	71.2
95.04957	36.8
95.08619	40.7
97.06538	26.1
99.04434	7.4
104.10747	64.9
105.07037	100.0
106.07346	9.6
107.04945	6.3
107.08597	67.9
108.08836	5.6
109.06517	22.5
109.10188	29.2
111.08084	11.0
113.06016	5.0
113.09664	12.7
117.07016	22.9
119.08598	84.1
119.59412	5.4
121.06491	12.4
121.10139	51.5
122.10487	5.8
123.08053	27.1
123.11699	6.7
125.05968	9.2
125.09617	15.7
128.06219	15.4
129.06993	18.0
131.08577	57.1
133.10155	52.0
135.08025	18.3
135.11681	10.5
137.09596	10.1
139.11212	11.8
141.06979	11.5
142.07759	22.9
143.08578	45.5
144.09235	8.1
145.06367	6.5
145.10121	62.0
146.10481	6.0
147.08105	13.3
147.11702	22.3
149.09682	12.2
151.07620	11.7
153.09084	5.8
154.07690	5.2
155.08525	26.0
155.10661	13.8
156.09341	19.1
157.10146	52.9
158.10706	7.3
158.66570	4.8
159.08052	15.5
159.11681	36.0
160.08763	9.8
160.12099	6.3
161.09636	13.4
161.13213	10.4
163.11191	15.8
165.07082	8.7
165.09106	19.8
165.12701	6.3
167.08557	12.2
167.10698	28.3
169.10155	37.7
170.10861	8.6
171.11662	35.7
172.08693	5.1
172.12172	8.1
173.09628	11.5
173.13237	22.4
175.11163	11.8
179.08522	11.0
180.09274	9.5
181.10139	20.0
181.12138	29.8
182.10938	10.5
183.11691	26.2
185.13242	22.7
187.11246	6.4
187.14851	8.3
189.12732	10.8
191.14310	10.1
193.10136	8.4
195.11728	26.8
196.12404	13.9
197.13239	29.2
198.96826	7.5
199.11281	6.9
199.14767	14.8
203.14410	14.5
207.11757	6.6
208.12463	6.6
208.14420	7.1
209.13193	22.5
209.15028	6.4
210.13890	6.7
211.14780	14.2
213.12823	10.5
215.14340	12.5
218.16611	6.3
219.11703	8.6
220.12474	7.1
221.13365	9.7
221.15364	48.3
222.15671	17.5
223.14795	10.4
225.14632	9.3
225.16594	7.8
233.13258	8.6
233.15387	34.1
234.15968	9.1
235.14761	6.9
237.12779	5.9
237.16414	6.2
239.14108	7.2
245.13194	9.1
247.16948	5.9
249.16351	10.1
251.17937	6.7
255.17444	32.3
261.16309	6.6
265.19370	5.5
268.18280	6.5
270.19559	7.1
286.19250	11.2
287.19824	11.4
293.18698	5.8
294.19611	9.7
295.20618	5.4
298.19565	6.3
299.20068	7.9
311.19946	6.9
337.20435	8.0
337.25189	12.8
347.23627	7.2
349.25394	8.5
365.24710	6.3
383.25739	12.8
502.54770	7.2
582.39038	6.0
600.41327	18.8
618.22449	12.5
618.43170	56.7
619.38098	8.0
636.62793	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	617.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.03432	1.2
57.07082	0.9
67.05506	6.3
69.07061	2.0
71.53039	0.9
72.87674	0.7
79.05502	3.8
80.96638	0.7
81.07069	6.4
83.08619	2.5
91.05476	3.0
93.07050	4.5
95.04984	1.8
95.08627	4.0
97.06569	1.3
97.10223	1.0
105.07047	2.5
107.04974	0.9
107.08608	2.9
109.06522	1.1
109.10167	3.0
117.06964	0.8
119.08584	3.5
121.10143	2.1
123.08071	0.9
123.11700	0.9
131.08575	2.4
133.06487	0.8
133.10123	1.7
135.11757	1.5
143.08600	0.8
145.10132	1.9
147.11612	1.0
157.10182	1.2
159.11751	1.3
165.09204	0.9
181.12201	1.1
193.12233	0.9
206.85368	0.7
221.15387	2.3
233.11607	1.0
277.09454	0.8
283.15182	13.4
325.74176	0.7
335.25470	1.1
339.17844	3.4
407.68903	0.8
444.57556	0.8
505.38544	1.3
519.36792	1.1
617.40240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01876	3.1
55.05513	11.6
57.03444	1.9
57.07076	6.8
57.13545	1.6
59.05011	3.5
59.93810	1.5
67.05508	17.1
67.92873	1.5
69.03431	11.1
69.07069	11.1
69.22563	12.8
69.22973	3.5
71.05006	1.9
71.08605	1.9
79.05495	18.4
80.88814	1.5
81.07063	24.4
82.87774	1.7
83.04974	9.3
83.08620	11.0
85.06522	4.0
87.40099	2.0
91.05482	28.2
93.07048	45.1
94.07395	2.0
95.04984	10.1
95.08615	27.7
97.06516	8.7
103.05522	2.4
105.07034	48.9
105.07691	3.1
107.04955	4.0
107.08601	29.6
109.06529	12.1
109.10168	15.8
111.04454	1.8
111.08097	3.6
111.11802	2.3
115.05492	3.2
117.07019	10.2
119.08584	41.1
121.06497	8.7
121.10149	45.4
122.07311	2.5
123.04446	2.2
123.08073	31.0
123.11754	5.3
125.06002	5.8
125.09634	9.5
128.06248	6.4
129.07007	10.1
130.07787	3.4
131.08575	17.3
133.06512	6.5
133.10147	27.1
135.08070	12.4
135.11731	6.4
137.09627	9.1
139.11205	4.5
141.07027	4.9
142.07780	10.6
143.08585	17.0
144.09390	3.2
145.06503	2.5
145.10114	29.4
146.10579	1.9
147.08047	12.9
147.11696	9.4
149.09605	14.3
149.13310	2.2
151.07565	33.2
151.11183	4.0
153.07092	2.5
153.09131	1.9
155.08536	8.9
155.10638	3.1
156.09410	8.8
157.10153	24.4
158.10846	2.6
159.08043	8.1
159.11700	15.5
160.08699	1.9
161.09604	8.9
161.13306	6.1
163.11200	10.3
165.07066	3.4
165.09117	26.7
165.12746	1.9
166.09607	1.8
167.08624	4.1
167.10684	48.0
169.10178	11.3
170.09492	1.7
170.10947	3.9
171.11723	14.4
173.09727	3.9
173.13303	9.0
175.11279	3.7
175.14897	4.5
177.12790	2.3
179.08607	2.9
180.09355	3.2
181.10219	5.3
181.12216	11.6
182.10973	3.0
183.11691	9.9
185.09756	2.3
185.13272	6.1
187.11237	4.5
187.14896	4.7
189.12746	12.7
191.14371	4.7
193.10236	6.9
194.10942	2.6
195.08286	1.9
195.11745	6.6
196.12546	3.0
197.11736	2.0
197.13242	9.9
199.11270	3.4
199.14922	4.7
201.12798	2.3
201.16399	1.9
203.14348	13.1
207.11713	4.7
207.13869	16.4
208.12511	2.0
209.13313	6.3
209.15401	5.8
211.11278	2.3
211.14912	4.6
213.12817	5.3
213.16400	2.0
215.14372	3.9
219.11798	2.4
221.13278	4.4
221.15356	58.6
223.14931	5.4
225.12894	2.5
225.16557	2.9
227.14432	2.5
231.11794	2.8
233.13289	3.5
233.15472	15.2
234.13824	1.9
234.16115	2.2
235.14941	3.6
237.16579	2.2
239.14389	2.0
239.18158	2.1
241.15982	2.0
246.14091	2.2
247.14876	2.9
247.17024	3.2
249.16443	4.0
251.14418	2.1
261.16437	2.7
263.17938	2.3
267.17661	2.2
269.18973	2.1
271.17065	2.6
273.18835	2.4
281.19205	2.6
285.18677	3.2
286.19385	4.8
287.20200	6.6
293.96350	1.9
299.20212	6.1
303.24454	2.1
311.20215	4.0
313.21817	2.2
323.09302	1.9
373.25369	1.9
377.24924	2.3
391.26511	4.5
563.39185	2.2
581.39941	12.3
599.40991	31.8
617.42108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01880	7.9
55.05518	1.1
56.67093	0.4
57.03445	6.1
59.05022	0.5
59.77869	0.4
61.02936	6.6
67.05515	1.6
67.30325	0.4
68.99787	2.9
69.03435	34.2
69.93324	2.1
71.01364	1.6
71.04992	5.4
73.02925	11.3
76.97956	0.4
78.55978	0.4
79.05508	1.1
81.03423	34.0
81.07072	1.3
83.01371	0.8
83.04979	1.0
83.08633	0.4
85.02910	97.1
87.00835	41.6
87.04474	1.7
91.03954	2.4
91.05480	1.6
93.07039	1.1
95.04967	1.1
97.02898	69.2
99.00819	0.6
99.04459	17.4
101.02384	0.5
103.03924	0.8
105.01873	75.0
105.07045	1.5
107.04974	0.7
107.08588	0.5
108.04476	0.5
109.02887	36.3
111.04382	0.5
114.05523	0.6
115.03959	3.9
117.01878	4.0
117.07017	0.7
119.08614	0.9
120.81576	0.4
121.10146	0.5
123.04450	1.0
125.02356	0.9
127.03927	100.0
129.01866	4.9
131.08614	0.6
133.04945	0.7
133.10130	0.7
135.04373	0.6
139.03925	1.5
143.03400	1.6
143.08499	0.6
145.04970	55.9
145.10143	0.8
146.04396	0.6
147.02914	3.6
147.08066	0.6
149.09746	0.5
159.02905	19.7
165.05527	0.4
167.10713	0.8
169.04996	0.5
171.02939	0.6
177.04004	1.8
177.05440	0.7
181.04993	1.0
189.03979	2.0
189.09131	0.6
197.12967	0.5
199.06067	0.5
201.03960	0.7
209.12904	0.4
213.03934	8.1
223.06026	13.6
231.05011	34.3
241.07088	3.5
249.06090	12.5
249.08107	0.3
273.06039	0.8
285.05948	2.3
301.09164	5.9
303.19556	0.6
327.07053	5.4
328.10764	0.5
345.08185	4.6
363.09265	1.9
398.13214	0.6
598.40240	0.5
616.40729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01879	4.1
55.05315	1.9
55.05517	20.4
56.16972	1.6
57.03441	18.2
57.07066	3.5
64.33793	1.7
65.03942	4.2
67.05510	55.4
69.03430	2.8
69.07080	22.5
70.91991	3.7
71.08613	2.6
72.46014	1.8
77.50550	2.3
79.05499	28.7
81.03426	73.9
81.07063	55.5
83.04985	6.2
83.08621	22.3
83.19285	1.8
85.06517	2.5
91.05492	27.5
93.07051	24.8
95.04984	30.4
95.08616	42.1
97.06532	4.8
97.07159	1.7
97.10163	7.7
99.08099	3.2
105.07041	25.3
107.04952	7.4
107.08592	18.4
109.06497	5.0
109.10162	19.7
111.08081	9.4
111.11711	2.4
115.05463	3.5
117.07008	3.2
119.08595	26.4
121.06496	3.0
121.10141	17.2
123.08074	2.5
123.11739	4.2
125.05976	1.7
128.06169	2.4
129.07022	12.6
131.08583	13.6
133.06517	4.3
133.10149	11.0
135.08084	4.4
135.11708	6.9
137.09627	2.6
142.07785	4.6
143.08556	9.1
145.10110	7.7
147.08078	4.0
147.11720	9.1
149.09633	5.4
149.13307	2.1
151.14844	2.2
157.10147	16.3
158.10915	2.2
159.08023	3.3
159.11707	3.0
161.09659	2.3
161.13255	3.9
163.11211	2.2
165.07042	2.2
167.08548	2.3
169.10162	4.0
171.11696	4.4
175.11217	7.4
175.14888	2.7
181.10071	2.6
181.12350	1.9
183.11757	5.0
185.13269	3.0
193.12231	18.8
197.13338	4.3
199.11160	4.0
207.11644	2.2
209.13344	3.3
212.11902	2.1
245.22646	2.8
249.14920	2.1
263.23685	4.8
267.15930	100.0
273.18460	3.3
303.26773	2.3
331.19382	1.9
337.27408	82.9
352.23990	13.2
384.23062	9.8
437.34274	2.7
455.35257	5.1
476.29413	4.4
529.38910	74.4
547.40076	35.5
584.74078	1.8
614.39801	20.6
614.48712	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	614.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33139	1.6
51.00350	1.5
52.80913	1.4
53.03942	3.8
55.01863	1.9
55.05516	16.6
57.03439	8.8
57.07076	9.5
59.04992	2.3
65.03941	2.1
67.05511	64.2
69.07077	15.0
69.98131	4.9
71.04991	22.5
71.08615	5.5
73.38429	1.5
76.92386	1.7
79.05497	36.5
81.07059	77.8
83.04974	5.3
83.08624	9.7
85.06540	7.7
85.10198	3.2
87.04462	4.4
89.06035	100.0
91.05486	30.9
93.07047	42.4
95.04958	5.3
95.08607	28.8
97.06533	5.8
97.10181	6.0
99.60734	1.7
105.07025	24.9
107.04957	1.6
107.07077	2.0
107.08595	25.7
109.06499	3.8
109.10154	13.5
111.08053	2.0
117.07018	9.1
119.08597	21.9
121.06555	2.1
121.10149	16.3
123.08085	2.5
123.11701	10.9
125.09611	3.8
129.07057	3.0
130.08655	2.7
131.07024	1.9
131.08568	13.0
133.08611	57.4
133.10123	17.9
134.69997	1.6
135.08003	1.7
135.11707	14.5
142.07770	2.2
143.08574	6.6
145.10115	14.3
147.08040	2.9
147.11736	8.7
149.09634	1.9
149.13234	6.8
151.11179	4.8
156.09320	1.8
157.10115	5.0
159.11655	9.7
161.09668	3.2
161.13263	4.7
163.11159	2.2
163.14767	4.3
167.08501	2.3
171.11626	3.2
173.13292	6.6
175.09673	1.9
175.11151	2.1
175.14833	4.8
177.11237	25.8
177.16278	1.7
181.10054	2.5
183.11702	2.7
185.13248	2.7
187.14784	5.3
189.12839	1.7
189.16319	1.9
197.13300	1.7
199.14865	3.9
201.16437	2.1
207.11575	2.4
211.14777	2.5
221.13748	6.5
221.15623	2.4
243.21053	4.9
257.17447	4.0
261.22083	9.7
269.17477	3.3
271.26230	1.7
283.17438	3.2
299.23773	2.3
301.20016	13.1
317.24762	4.1
327.20020	3.6
335.25821	23.4
357.58023	1.7
371.22681	4.5
393.31183	1.9
411.32520	3.4
415.25403	32.2
437.34396	8.1
485.36359	8.0
503.37338	48.2
511.38019	8.8
529.38940	67.2
534.33472	8.2
547.39893	6.2
561.41595	26.6
614.40594	5.6
614.49304	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	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78112	0.5
53.03936	1.6
55.01865	0.6
55.05516	12.8
57.03443	2.5
57.07080	5.0
61.77711	0.6
62.79542	0.5
64.45119	0.4
65.03939	0.9
67.05511	28.7
69.07074	15.8
69.07460	0.5
71.05009	1.2
71.08637	2.9
71.08971	0.5
77.03922	0.7
78.23745	0.6
79.05495	16.3
81.07063	27.7
83.04981	1.2
83.08618	9.0
85.06556	1.4
85.10204	1.2
89.06055	0.8
91.05486	14.3
93.07050	21.5
93.07645	1.1
95.04965	1.3
95.08611	24.1
97.06544	2.4
97.10177	4.3
99.08092	1.4
105.04494	0.8
105.07036	16.3
107.08600	13.7
109.09463	1.0
109.10164	10.2
111.08112	1.5
111.11723	0.9
117.07015	4.7
119.08590	17.9
121.10148	9.7
123.08106	0.8
123.11722	3.5
125.09658	1.3
129.07013	2.7
131.08574	9.2
133.10135	11.3
135.11681	6.0
137.09639	0.8
137.13281	2.1
143.08565	4.1
145.10136	10.1
147.11681	5.6
149.13237	4.6
151.14885	1.2
155.08606	0.8
157.10162	2.4
159.11685	5.7
161.13261	5.8
163.11217	1.3
163.14824	2.9
169.10143	1.8
171.11653	2.9
173.13266	3.9
175.14828	4.9
177.12823	0.7
177.16389	1.2
179.14449	0.6
181.10252	0.6
183.11707	1.5
185.13324	2.1
187.14827	3.4
189.16409	3.2
191.17998	1.1
197.13312	1.3
199.14906	1.6
201.16447	2.2
203.18024	1.0
207.13861	0.6
211.14848	0.8
213.14749	0.7
213.16591	0.9
215.17990	1.8
217.19571	1.4
227.16364	0.8
229.19543	0.8
230.88246	0.6
231.21129	1.3
233.22754	0.6
241.19733	0.9
243.21036	0.7
245.22668	1.0
247.24382	0.7
257.22583	0.9
259.20657	0.7
259.24423	0.6
261.22208	2.1
273.22302	0.7
275.23645	0.8
277.21701	1.1
287.23901	1.3
294.46390	0.6
301.25211	1.2
313.25235	0.9
315.26981	0.7
327.26819	0.6
331.26437	0.6
335.25928	1.8
337.27573	2.6
339.29205	0.7
357.52896	0.5
371.33203	0.7
503.37244	1.2
505.44122	0.6
517.38678	0.9
523.45288	4.4
531.40289	1.1
541.46039	2.2
545.41821	1.6
559.47333	0.8
597.48871	7.7
615.49860	100.0
616.50037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02381	1.0
53.03944	1.5
53.53564	0.6
55.01863	1.4
55.05516	12.9
57.03449	4.0
57.07073	2.7
59.81684	0.6
65.03941	1.5
67.05511	41.3
69.07077	14.9
69.30737	0.6
69.80447	2.0
69.80856	1.1
69.93029	0.6
71.05009	1.6
71.08261	0.7
71.08640	1.7
72.89693	0.6
79.05026	0.6
79.05496	22.5
81.07064	44.7
83.04997	1.1
83.08620	7.4
85.06546	1.1
91.05491	17.4
92.93533	0.6
93.07051	29.8
95.04958	1.8
95.08614	37.0
97.06561	2.1
97.10178	5.1
99.08105	1.4
103.05487	0.8
105.04529	1.0
105.07039	17.3
107.08604	18.3
109.06535	1.4
109.10163	19.7
111.08086	1.3
111.11754	0.9
113.09674	0.7
115.05462	0.9
117.07008	7.0
119.08593	19.0
121.10156	14.7
123.08052	0.8
123.11717	7.9
128.06238	0.7
129.06990	3.1
130.07826	0.6
131.08577	15.5
133.10147	15.8
135.08099	0.8
135.11708	11.2
137.13264	2.0
139.11269	0.8
143.08598	5.8
145.10144	13.4
147.11697	11.1
149.13242	8.2
151.14833	0.9
155.08627	1.4
157.10127	5.3
159.11719	12.8
161.13295	7.8
163.14807	4.1
169.10132	1.6
171.11732	4.7
173.13272	8.2
175.14851	4.7
175.16225	0.8
177.16463	2.1
183.11708	1.9
185.13229	3.9
187.14857	5.0
189.16440	2.3
191.18030	1.0
197.13287	2.0
199.14832	3.6
201.16438	2.4
203.18053	1.0
209.13492	0.7
211.14783	0.9
213.16507	1.4
215.18037	1.5
217.19540	1.8
223.14893	0.8
225.16454	0.8
227.18068	1.0
229.19363	0.8
233.18988	0.9
241.19638	2.3
243.21124	1.4
247.20647	0.8
259.20569	6.4
261.22192	8.5
266.11804	0.7
273.22232	1.1
277.21649	1.3
285.22119	1.2
287.23740	1.2
300.66000	0.7
313.25522	1.9
315.23224	0.8
317.24811	1.8
333.24213	4.4
335.25839	14.6
337.27414	8.0
341.24661	0.7
351.25330	0.7
369.31638	1.0
383.29523	0.8
397.35336	0.8
475.34329	1.0
489.35645	1.2
491.37448	0.8
503.37430	2.1
517.38940	1.4
521.43634	5.3
529.39380	1.6
531.39813	1.0
539.44720	2.2
543.40582	1.1
595.47198	9.5
613.48303	100.0
614.48682	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	614.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05499	1.2
55.26743	0.5
57.07078	7.1
58.06593	2.0
65.03941	1.1
67.05500	1.5
69.03416	0.7
69.07060	0.9
70.06596	17.1
71.08636	1.9
79.05511	1.3
81.07056	1.8
85.02901	0.5
85.10194	0.8
88.07095	1.1
88.07635	18.4
88.08170	1.2
91.05484	1.2
93.07043	1.5
95.08616	1.4
102.09191	13.0
105.07036	1.4
107.08612	1.1
109.10158	0.7
117.07027	0.6
119.08617	1.0
121.10143	0.9
131.04973	0.6
131.08542	0.8
133.10101	0.8
147.04344	0.9
147.11699	0.6
149.02345	36.6
157.10156	0.7
163.11163	0.6
175.03886	1.1
193.04971	44.0
210.51122	0.5
219.06619	0.7
225.05624	1.0
233.15471	0.6
256.26358	39.2
269.04532	1.1
297.04041	2.0
313.07114	2.6
325.21954	0.6
341.06555	9.6
343.22809	0.6
350.63586	0.5
359.07626	5.4
385.09183	43.6
417.26373	3.0
435.27689	0.8
567.22076	0.6
582.24249	13.6
614.33264	100.0
615.33484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.3
55.01868	17.4
55.05512	41.3
57.03443	26.1
57.07066	9.4
59.04997	9.1
67.05506	85.4
69.03426	8.9
69.07070	29.3
70.06596	6.6
70.78036	4.3
71.04969	14.4
71.08630	19.6
71.53236	8.7
79.05492	71.0
81.03418	100.0
81.07054	86.2
83.04984	22.8
83.08621	50.8
85.02913	19.4
85.06546	9.0
85.10179	10.4
85.83829	5.0
91.05491	79.2
91.68894	4.3
93.07056	85.0
95.04971	62.3
95.08612	65.0
97.02882	5.5
97.06523	16.6
97.10167	9.3
99.08102	17.9
105.07039	65.4
107.04939	19.5
107.08593	51.8
109.06527	17.4
109.10184	22.8
111.08067	37.6
113.09633	11.1
117.07020	13.4
119.08595	58.6
121.06492	8.6
121.10147	45.6
123.08058	8.6
123.11670	7.9
125.05962	4.8
125.09619	8.0
129.06999	16.8
131.08588	25.3
133.10135	40.0
135.08029	6.4
135.11664	18.7
137.09634	9.2
142.07773	4.8
143.08521	9.3
145.10127	18.9
146.10484	6.5
147.08058	8.8
147.11694	35.6
149.02336	5.0
149.09628	17.9
149.13242	6.8
151.07530	6.5
151.11186	7.7
157.10138	28.8
159.11671	14.2
161.09570	5.5
161.13274	13.9
163.11183	8.1
165.09027	7.2
165.12787	26.6
167.10678	8.4
171.11703	11.1
175.11169	18.1
175.14838	5.2
177.12733	8.1
179.14313	21.7
181.12231	6.3
182.12593	5.3
193.12289	49.9
197.13274	5.9
211.13300	72.0
221.15414	14.3
227.12769	5.1
267.15945	65.5
269.17700	6.4
277.21710	55.5
285.16971	86.3
285.89090	4.6
295.22668	35.3
341.10333	5.7
343.22897	5.9
351.25284	39.5
369.26538	24.0
461.28796	10.4
479.29919	30.3
543.36865	79.0
561.37769	45.1
579.39008	32.6
596.40387	6.3
614.36511	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.266
Annotation	Karajinone B
Peak:m/z	Relative Intensity
50.13729	1.2
55.05512	3.4
59.36230	1.1
67.05510	6.6
69.03441	1.4
69.07060	1.4
70.10302	1.1
71.52995	1.5
79.05491	6.3
81.03405	1.3
81.07056	4.9
83.08633	1.3
91.05491	4.9
93.07059	4.1
95.04945	2.0
95.08617	3.5
97.06541	1.8
105.07041	3.2
107.04962	1.3
107.08626	2.3
109.10184	2.0
117.07018	2.2
119.08599	3.3
119.96610	1.2
121.06505	1.5
121.10155	3.5
128.06276	1.4
129.06982	1.9
131.08641	1.3
133.10156	3.0
136.07556	2.6
136.81126	1.3
141.07098	1.2
143.08632	1.3
145.10124	2.8
147.11758	1.9
149.09654	2.2
155.08505	1.2
157.10098	1.3
159.11609	1.5
169.10104	1.6
173.13234	1.2
174.09203	4.5
184.60765	1.1
186.08951	1.1
187.12361	3.4
188.10687	2.4
195.11665	1.6
212.29659	1.1
215.11848	2.5
221.13162	1.4
225.10495	2.4
227.11893	4.2
230.26701	1.2
235.08685	1.7
239.11852	2.4
241.13428	4.9
243.11304	13.8
249.10466	1.9
251.11923	2.1
253.09746	2.5
267.11368	6.2
269.12927	5.3
271.10849	1.8
279.11334	1.2
287.13950	4.0
293.13000	1.1
295.10684	5.7
297.12512	1.2
302.12976	1.8
313.12604	1.5
314.13089	1.7
324.60049	1.3
327.13278	6.7
328.11121	1.7
328.14594	1.3
330.12451	1.6
330.16217	1.6
342.12488	2.3
343.13034	2.1
344.14069	2.2
344.17844	1.5
348.13412	2.8
354.12360	1.3
356.14011	2.9
357.14975	1.5
358.15527	3.7
370.15491	1.6
372.17215	4.1
373.18149	1.7
374.18719	1.4
384.17221	1.3
386.14661	2.0
400.16528	1.7
417.26630	1.8
418.17734	3.4
446.17288	1.4
450.16248	1.4
462.24185	1.5
465.18634	7.9
478.19769	3.2
479.20670	5.5
480.21628	2.4
481.00656	1.4
489.23010	1.9
490.19891	6.2
492.21887	2.6
493.22394	4.0
502.20218	1.3
507.24197	4.3
508.21436	2.3
517.22333	2.4
525.24890	1.4
535.23572	12.0
541.24127	1.6
553.24506	56.6
554.24988	1.4
563.22748	1.7
581.24005	45.8
595.39142	1.5
613.26605	100.0
613.37384	4.3
614.27728	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.03196	0.6
53.03946	1.4
55.01874	1.7
55.05516	11.0
57.03443	2.9
57.07079	3.9
58.32290	0.6
61.26110	0.6
64.32495	0.6
65.03950	1.1
67.05511	24.8
69.07074	10.4
69.19154	2.5
69.19585	3.1
70.72219	0.5
71.04976	0.9
71.08638	2.3
78.14920	0.5
79.05497	13.2
80.51823	0.5
81.07063	25.1
83.04983	1.2
83.08622	6.6
83.12947	0.6
85.06529	1.1
85.10172	0.7
91.05484	12.8
93.07046	15.4
94.30003	0.7
95.04987	1.1
95.08618	16.4
97.06538	1.9
97.10172	3.6
99.08101	1.6
105.07041	17.2
107.08607	9.8
109.06515	0.8
109.10174	7.8
111.08100	1.0
117.07027	6.9
119.08588	17.7
121.10152	6.1
123.08119	0.9
123.11710	3.1
125.09625	1.4
128.06256	1.1
129.07013	4.2
130.07808	0.8
131.08577	17.1
131.09534	0.9
133.10139	7.7
135.08177	0.6
135.11725	3.8
137.13275	1.2
139.11183	0.6
141.07022	1.8
142.07899	1.0
143.08578	8.1
145.10135	16.8
147.11700	5.2
149.09637	0.7
149.13278	2.4
155.08582	4.0
157.10147	7.5
159.11694	6.9
161.13281	5.2
163.14899	1.4
167.08597	0.8
169.10103	4.1
171.11729	4.7
173.13251	4.6
175.14874	5.3
177.13075	0.7
177.16267	0.7
179.14351	1.1
181.10181	1.8
183.11732	2.6
185.13234	5.0
187.14842	5.4
189.16400	1.6
193.16005	0.6
195.11732	1.9
195.17406	0.6
197.13312	2.4
199.14868	4.2
201.16402	6.0
203.18102	1.0
209.13275	1.0
211.14871	2.6
213.16434	2.5
215.17992	2.8
217.19565	1.2
221.13258	0.7
223.14899	1.4
225.16463	1.6
227.18007	1.9
229.19600	1.4
231.21054	1.2
237.16432	0.8
239.17978	1.0
241.19722	1.2
243.21191	0.8
245.22722	1.4
251.18011	0.6
255.21172	1.3
257.22668	1.1
259.20590	0.7
259.24374	0.8
261.22324	0.7
269.22638	0.9
277.21750	1.9
281.22568	0.9
299.23795	1.1
311.23697	0.8
313.25333	1.2
341.24677	0.8
343.26260	0.8
355.30069	0.9
498.78424	0.6
503.42413	1.9
515.36987	0.9
521.43573	9.2
539.44684	6.2
577.46320	0.7
590.81378	0.8
595.47278	8.5
613.48285	100.0
614.48651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01872	4.1
55.05515	29.0
57.03441	16.4
57.07067	4.6
58.57615	1.8
65.03933	4.1
67.05509	76.5
69.07069	19.7
69.20358	18.1
70.61867	1.9
71.04995	3.9
79.05497	51.9
80.03636	1.9
80.05831	4.3
81.03424	76.5
81.06593	4.3
81.07061	69.6
82.07394	5.5
83.04992	5.6
83.08626	23.4
85.06525	3.5
91.05483	41.3
92.05846	4.7
93.07050	58.0
94.07377	6.0
95.04980	20.4
95.08615	53.1
96.08926	4.4
97.06534	6.1
97.10161	9.0
99.08105	2.6
103.05425	2.2
105.04518	3.2
105.07039	42.7
106.07365	3.5
107.04977	5.5
107.08612	33.1
109.06523	4.5
109.10178	21.8
111.08087	6.8
117.07021	12.5
119.08586	33.1
120.08908	5.0
121.06548	3.1
121.10150	24.6
122.10477	4.1
123.08060	3.3
123.11740	11.7
125.09687	4.2
129.07030	14.9
131.08583	26.2
132.08913	4.4
133.06462	3.0
133.10138	22.5
134.10527	4.7
135.07994	2.1
135.11670	16.2
137.09651	3.6
137.13258	2.6
141.37965	1.9
143.08540	10.8
144.08905	2.9
145.10144	21.7
146.10475	3.3
147.08031	2.8
147.11696	20.1
148.12016	3.3
149.09605	3.2
149.13255	9.3
155.08496	3.6
157.10156	14.2
158.10464	2.6
159.11699	12.5
159.32932	1.9
160.12029	3.5
161.13310	11.2
162.13609	2.3
163.14833	4.2
165.12839	2.3
169.10161	4.2
171.11699	7.1
172.12044	3.0
173.13269	12.4
174.13631	2.7
175.11217	8.0
175.14857	3.7
181.10115	2.0
183.11714	4.3
185.13309	5.7
187.14859	4.8
189.11240	4.1
193.12277	15.9
195.11670	2.7
197.13390	2.6
199.14857	2.9
200.15271	2.7
201.16394	3.9
211.14906	3.7
213.16330	2.0
214.16827	2.0
227.12862	4.7
239.17761	2.3
241.19527	4.4
242.19928	4.6
243.21077	4.1
259.20663	5.8
260.21088	3.5
261.22168	11.9
267.15939	84.6
285.22235	2.0
299.23703	2.9
301.25125	5.3
317.25073	2.8
333.24240	3.5
334.24423	2.2
335.25824	75.4
336.26279	6.9
341.24658	2.4
435.32687	2.6
453.33734	8.2
471.35202	3.9
520.42438	5.7
527.37396	56.0
542.39307	2.1
545.38446	25.5
594.46051	6.6
612.47034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01866	3.7
55.05510	20.3
57.03437	19.8
57.07064	4.2
63.20189	1.9
65.03937	4.9
67.05508	69.2
69.03429	3.9
69.07062	18.7
71.04993	4.5
71.08632	2.4
71.38230	3.7
75.11745	2.4
79.05495	49.4
80.35472	1.9
81.03421	85.6
81.07060	69.1
82.07378	2.9
83.04974	5.8
83.08623	22.7
85.06548	5.0
88.17484	2.2
91.05482	46.3
93.07047	55.6
94.05405	1.8
94.07394	3.5
95.04967	27.6
95.08607	51.4
95.09187	4.0
95.69914	2.0
96.08969	3.4
97.06532	5.1
97.10178	9.1
99.08102	2.1
105.07033	32.0
106.07406	2.2
107.04969	6.8
107.08604	32.8
109.06452	2.3
109.10162	25.1
111.08080	8.8
115.05482	2.4
117.07014	13.9
119.05048	2.0
119.08585	28.0
120.08936	2.9
121.06496	2.7
121.10143	25.5
123.08081	2.8
123.11734	8.4
125.09650	3.3
129.07028	13.1
131.08595	21.2
133.06508	3.7
133.10129	17.9
135.11736	13.5
137.09628	3.0
142.07799	4.4
143.08572	5.4
145.10132	13.6
146.10394	2.3
147.08058	3.5
147.11713	13.2
149.09634	2.8
149.13271	7.3
157.10178	16.0
159.11729	12.7
161.13304	7.5
163.11206	2.2
163.14835	4.2
165.12846	2.7
171.11766	5.7
173.13286	9.8
175.11218	8.7
175.14882	4.9
183.11751	3.0
185.13344	4.4
186.13556	2.7
187.14948	3.6
189.11241	4.5
193.12234	17.9
197.13359	2.5
201.16234	2.1
209.77258	2.0
214.08539	1.9
215.17787	2.4
219.44894	2.1
227.12856	7.6
241.19719	2.8
243.21117	4.9
249.14769	3.5
259.20782	2.9
261.22235	19.2
267.15921	100.0
279.23575	2.3
301.25220	5.0
335.25803	89.3
336.26239	6.1
431.22134	2.3
435.32916	4.6
453.33511	4.2
463.21103	2.2
471.34555	2.9
477.22162	2.6
478.22562	6.2
479.22775	2.9
486.24026	2.4
488.24353	4.4
506.25412	2.8
518.25232	5.3
527.37360	62.1
534.25061	7.7
545.38336	25.4
553.26892	3.9
562.24615	3.1
594.26941	20.1
594.45197	2.6
612.27979	74.9
612.47223	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	612.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
54.05737	7.7
55.01871	9.7
55.05510	54.0
57.03443	21.4
67.05515	100.0
69.03426	8.8
69.07067	58.8
71.04997	20.9
71.08654	10.6
78.11965	8.4
79.05489	93.4
81.03419	76.2
81.07064	97.8
83.04977	38.2
83.08622	41.0
85.02894	32.4
91.05483	96.0
93.07052	79.6
95.04994	45.9
95.08620	51.1
97.06524	24.7
97.10188	16.9
105.07036	82.6
107.04942	21.5
107.08624	46.1
109.06508	18.5
109.10146	16.4
111.08089	20.6
117.07011	25.4
119.08602	72.3
121.00208	7.4
121.10152	34.1
123.08107	8.3
125.09601	9.3
129.06996	19.6
130.07841	8.5
131.08553	32.2
133.06499	9.5
133.10120	41.2
135.08054	9.3
135.11682	14.0
143.62160	7.9
145.10115	30.0
146.73648	8.2
147.04410	8.8
147.11703	33.6
149.09602	29.4
149.13211	15.2
152.38721	8.9
157.10100	26.3
159.11728	11.5
161.13293	8.8
163.11165	13.0
175.11223	15.3
193.12288	52.6
197.13440	9.8
211.13260	76.7
227.12665	16.9
255.16011	18.7
257.19000	8.8
267.15961	48.6
269.17493	26.5
275.20126	52.5
285.17056	72.2
349.24048	39.3
355.62051	7.8
383.11591	10.3
447.27472	10.4
461.29016	24.1
465.28265	26.5
479.30066	91.0
541.34918	12.4
559.36145	33.8
612.35040	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	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.7
57.03428	4.9
57.07059	4.1
67.05186	2.6
67.05510	32.4
69.07078	8.2
69.77464	1.4
70.10477	4.9
71.05000	13.3
71.08635	12.6
79.05499	23.4
81.03433	6.6
81.06594	2.2
81.07062	44.0
83.04976	4.5
83.08628	9.3
85.06524	2.1
87.04443	2.8
91.05482	18.8
93.07044	26.9
93.07623	1.4
95.04956	4.3
95.08617	18.7
97.06514	5.9
99.08102	9.3
105.07046	10.5
107.04996	1.6
107.08595	14.3
109.10163	7.2
111.08079	3.3
113.09653	2.2
117.07021	2.5
118.06529	4.4
119.08627	8.5
121.10148	13.1
123.11719	5.7
124.99994	4.7
131.08592	3.7
133.10150	14.6
135.11687	12.5
144.08101	11.8
145.10133	2.5
147.11731	2.3
149.09656	2.2
149.13271	6.9
151.11189	6.0
158.09613	4.0
159.11713	4.3
161.13237	4.0
162.09183	1.5
163.11186	2.1
163.14725	1.8
171.11743	1.5
176.10724	2.8
176.14328	20.6
177.11375	1.8
177.12819	2.5
179.14316	32.4
179.41803	1.4
187.13293	1.7
202.15915	100.0
220.16980	91.1
225.14815	2.7
235.17131	1.8
239.12761	2.3
251.16614	1.8
269.17520	3.9
277.18817	2.1
277.21658	22.7
300.13608	65.2
301.20154	18.4
335.25708	2.0
347.05850	1.5
351.25262	8.0
432.85059	1.7
499.33987	2.2
519.36932	22.7
533.38367	10.4
545.38428	40.8
577.41058	36.5
594.38977	8.0
612.39850	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05269	1.0
55.05518	10.5
57.03444	2.9
57.07077	2.3
57.38884	0.5
64.38895	0.5
65.03934	0.6
67.05511	19.7
69.07076	10.3
69.18478	3.6
69.18900	1.7
71.04999	0.8
71.08635	1.1
79.05497	13.0
81.07063	17.8
83.04982	1.3
83.08624	4.7
85.06581	1.1
91.05492	11.5
93.07047	15.0
95.04986	1.0
95.08615	15.2
97.06548	1.3
97.10177	2.6
98.21535	1.1
99.08115	1.2
105.04443	0.6
105.07040	12.4
107.08602	9.7
109.06548	0.5
109.10160	7.5
111.08093	1.1
115.05489	0.9
117.07031	8.4
119.08588	10.7
121.10156	6.1
123.08095	0.8
123.11738	1.3
125.09650	1.0
128.06229	2.0
129.07001	8.2
131.08588	12.7
133.10130	7.4
135.11694	4.1
137.13263	1.0
138.21657	0.5
139.11156	0.8
141.06999	2.9
142.07802	1.9
143.08569	10.2
143.09573	0.9
145.10132	13.5
147.11691	4.8
148.06303	0.6
149.09706	0.8
149.12158	0.5
149.13312	1.8
154.07823	0.8
155.08549	6.6
156.09392	1.0
157.10153	9.6
159.11710	8.0
161.13301	2.5
163.11240	0.5
163.14885	1.6
167.08582	1.8
169.10141	7.5
171.11693	7.3
173.13266	5.9
175.14886	2.2
177.16383	1.7
179.08693	0.9
181.10114	3.9
181.65472	0.6
183.11731	5.5
185.13248	6.6
187.14789	3.5
189.16429	1.5
191.17889	0.6
193.10246	0.8
195.11748	2.1
197.13289	4.8
199.13336	0.9
199.14888	5.0
201.16487	2.4
203.18019	1.3
207.11751	1.1
209.13316	2.1
211.14899	3.9
213.16429	2.9
215.18048	1.6
217.19582	0.7
223.14925	2.0
225.16454	2.7
227.18098	1.5
229.19591	2.4
235.14909	1.2
235.17126	0.6
237.16452	1.1
239.18082	1.9
241.19592	2.1
243.21175	0.9
249.16605	1.1
251.17921	1.0
253.19518	1.3
255.21210	1.0
257.19101	0.7
257.22540	0.7
267.21088	1.0
269.22742	0.9
273.22171	0.6
277.21832	0.9
281.22800	0.9
293.22617	0.9
297.22278	0.7
325.21683	0.7
325.25247	0.7
327.23657	0.8
327.27249	0.7
353.28409	1.1
367.30304	1.3
369.27432	0.5
389.28076	0.7
437.34222	0.7
449.33719	1.0
501.41022	1.7
513.36157	0.8
519.42224	9.5
527.37512	1.1
537.43311	5.1
541.39136	1.3
575.45306	1.1
593.45691	10.2
611.46747	100.0
612.46851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
57.07060	1.4
59.38882	0.3
67.05515	2.0
69.07056	0.9
71.08616	1.3
78.17982	0.3
79.05486	1.0
81.03421	0.5
81.07049	1.5
83.08564	0.5
87.78471	0.3
91.05482	1.3
93.07027	1.1
93.92118	0.4
95.08583	1.4
98.98455	1.4
105.07024	1.3
107.08568	0.9
109.10125	0.4
118.06557	4.1
119.08588	0.5
121.10159	0.6
125.00010	4.8
132.08099	1.0
133.08841	0.4
135.11687	0.4
144.08087	11.0
145.08875	0.7
146.09616	1.5
158.09634	4.5
159.10443	1.5
160.11191	0.7
162.09125	1.6
172.11234	3.5
173.12035	0.5
176.10754	1.0
176.14351	21.9
177.11472	0.4
190.12263	1.4
202.15915	100.0
203.16293	0.6
220.16971	93.7
221.17264	0.9
239.12918	0.4
300.13605	62.7
374.17117	0.6
571.25232	0.9
577.41046	0.7
594.39050	6.7
612.40106	41.3
613.26624	0.6
613.39984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03951	3.8
54.56579	0.6
55.01864	1.9
55.05515	14.8
57.03438	4.2
57.07075	3.7
65.03934	1.7
67.05510	41.1
69.03407	1.1
69.06731	1.1
69.07072	14.4
71.04984	1.9
71.08629	1.6
79.05499	28.0
81.03416	2.0
81.07062	40.8
83.04989	2.3
83.08621	7.9
85.06535	1.4
86.11617	0.7
91.05488	29.0
93.07050	35.7
95.04991	3.1
95.08613	32.7
97.06541	3.2
97.10174	3.7
99.08083	1.7
105.04504	1.3
105.07037	27.6
106.07359	1.0
107.08598	20.3
109.06512	1.7
109.10160	14.1
111.08076	1.9
115.05450	1.7
117.07022	13.8
118.54569	0.6
119.08591	24.4
121.10155	14.1
123.08076	1.3
123.11700	4.6
124.19733	0.8
125.09650	1.3
128.06233	1.9
129.07011	9.3
130.07796	0.9
131.08575	20.1
133.10138	20.2
135.08061	0.9
135.11693	9.3
135.45702	0.6
137.09659	1.0
137.13220	1.2
141.07033	1.5
142.07806	1.8
143.08577	10.9
144.09398	0.8
145.10126	17.8
147.08012	0.9
147.11694	14.2
149.09650	0.9
149.13268	5.6
151.11227	1.2
151.14842	0.9
153.12692	1.1
155.08574	5.6
156.09468	0.8
157.10146	9.7
158.10860	0.7
159.11694	16.9
161.13264	10.3
163.11195	1.0
163.14824	3.1
165.06926	0.7
165.12657	0.8
167.08636	1.8
168.09398	0.8
169.10132	6.7
169.13731	0.6
170.10887	0.8
171.11700	11.6
173.09604	0.6
173.13268	11.8
175.14844	5.4
177.12892	0.8
177.16412	0.8
179.14439	0.9
181.10130	2.8
183.11690	5.9
185.13257	8.6
187.14842	5.9
189.12839	0.7
189.16408	1.6
195.11751	2.2
197.13284	4.6
199.14822	5.6
201.16342	3.7
203.18044	0.9
207.11722	0.9
209.13295	2.3
211.14853	3.5
213.16452	3.6
215.18015	2.5
217.19533	0.8
223.14877	1.7
225.16447	2.4
227.18001	2.5
228.18408	0.7
229.19585	0.8
231.21112	1.3
235.15019	0.8
237.16431	0.9
239.18039	2.2
241.19569	5.9
243.21111	1.8
253.19699	1.2
257.19040	2.4
259.20581	13.2
261.22208	2.7
269.22748	1.0
275.20291	0.7
277.22125	1.3
285.22226	1.2
291.21249	0.7
297.22128	1.3
311.23541	1.3
315.23294	1.3
315.26868	0.9
331.22650	1.3
333.24286	8.7
335.25839	15.0
337.27356	2.1
339.26929	0.9
353.28418	1.1
419.33014	0.7
435.32297	0.8
463.36096	0.6
489.35834	1.0
501.41455	1.6
519.42096	6.6
527.37347	1.4
537.43030	3.7
541.38824	1.6
548.00623	0.7
555.42480	0.7
593.26624	2.0
593.45758	9.5
611.29291	6.6
611.46722	100.0
612.47089	1.9
624.46924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01876	1.5
55.05271	1.1
55.05516	13.9
57.03443	3.5
57.07079	3.2
62.10603	0.5
63.30393	0.7
64.03681	0.6
65.03937	1.6
67.05510	29.2
69.06730	0.9
69.07076	12.0
71.04990	1.7
71.08622	1.9
71.38497	1.1
73.93651	0.5
79.05502	21.2
81.03428	0.9
81.07063	30.7
83.05001	1.6
83.08631	6.4
85.06553	1.3
85.10170	0.9
89.06038	1.2
91.04904	1.1
91.05489	20.6
93.07047	24.5
93.85956	0.5
94.07445	0.8
95.04976	1.9
95.08616	19.6
97.06530	1.9
97.10153	3.6
99.08076	1.2
105.04525	0.9
105.07041	19.4
106.84842	0.7
107.04948	1.0
107.08612	13.6
109.06519	1.1
109.10165	8.2
111.03701	0.5
111.08088	1.4
113.09574	0.6
115.05444	0.9
115.89278	0.5
116.06220	0.7
117.04416	0.5
117.07032	11.1
119.08591	17.4
121.10149	9.2
123.08056	0.7
123.11719	2.9
125.09641	1.2
128.06250	1.8
129.07034	9.3
130.07785	0.8
131.08575	17.1
133.10139	13.6
135.11688	6.8
137.09694	0.6
137.13290	1.2
141.07030	2.5
142.07777	1.6
143.08574	10.9
144.09309	0.8
145.10136	14.8
147.11702	9.7
149.09639	1.5
149.13275	4.7
154.55527	0.6
155.08568	5.8
156.09213	0.7
157.10152	9.1
158.10710	0.7
159.11732	8.6
161.13277	7.7
163.11211	0.9
163.14822	2.0
167.08577	1.4
169.10138	7.4
171.11723	8.6
173.13245	7.1
175.11172	1.0
175.14803	3.7
181.10139	3.3
183.11685	4.5
185.13254	6.8
187.14848	4.3
189.16418	1.5
193.10191	1.1
195.11722	2.6
197.13297	5.1
199.13216	0.9
199.14853	6.1
201.16399	3.6
203.17992	0.7
205.16025	1.0
207.11714	1.1
209.13304	2.2
211.14903	2.6
213.16463	3.6
215.18005	2.1
217.19693	1.0
219.11554	0.7
221.13228	1.2
223.14899	2.2
225.16437	2.6
227.18034	2.9
229.19472	1.4
231.21173	1.3
237.16559	1.0
239.18033	2.2
241.19624	4.5
243.21181	2.0
251.18011	0.9
253.19614	1.2
257.19098	1.6
259.20624	7.4
261.22256	1.8
265.19397	1.0
269.22742	0.8
271.24258	0.7
277.21759	1.3
281.22733	0.7
297.22012	1.0
299.23785	0.9
311.23657	0.7
315.23120	1.0
317.24915	0.9
325.25516	1.0
327.27118	0.8
333.24152	4.3
335.25800	7.5
339.26810	0.8
343.26437	0.7
353.28601	1.0
411.32837	0.7
415.31921	0.7
423.32672	0.7
442.49887	0.6
449.34009	1.0
501.40872	1.0
511.37714	0.9
519.42017	7.3
527.37219	0.9
537.43134	3.9
541.38995	1.3
555.43597	2.0
593.45587	7.6
611.46704	100.0
612.47137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01862	2.6
55.05517	14.5
56.98436	1.9
57.03428	3.3
57.07079	8.5
61.02917	5.7
67.05511	28.7
69.03429	6.4
69.07074	41.6
70.06589	12.5
71.04979	2.8
71.08621	5.3
71.52402	2.3
71.85983	1.7
72.08141	2.3
73.02929	2.6
79.05505	19.6
80.65390	2.1
81.03416	7.8
81.07062	100.0
83.08630	17.1
84.08137	3.8
85.02901	12.0
85.06538	17.1
86.09718	4.4
87.00825	2.5
91.03975	4.2
91.05478	11.2
93.07045	39.4
95.04979	3.6
95.08611	76.3
97.02899	6.3
97.06517	7.3
97.10168	9.1
98.06055	2.5
99.04483	2.1
99.08116	9.7
105.07050	14.1
107.08599	42.2
109.02886	3.4
109.10159	59.2
111.08114	9.6
111.11726	8.0
117.06969	2.1
119.08568	15.4
120.08123	4.4
121.06524	4.7
121.10159	29.8
123.08072	2.5
123.11716	49.9
125.09645	6.1
125.13236	2.0
127.03912	3.9
127.11246	2.1
129.06934	3.6
131.08559	6.7
133.10161	9.4
135.04364	2.4
135.11700	22.6
137.05971	2.6
137.09651	3.3
137.13257	29.5
139.03928	3.1
139.11200	4.5
140.14456	2.1
141.12708	4.4
143.08563	2.9
145.04951	3.0
145.10133	4.3
147.11679	9.9
149.13266	26.2
151.14841	6.2
153.12714	13.0
157.10094	2.3
159.11725	6.5
161.13274	4.7
163.03903	2.0
163.11179	2.1
163.14815	9.9
165.09108	2.4
167.03424	3.8
167.07060	2.2
167.14381	6.7
171.11705	1.9
173.02295	3.6
173.05972	2.3
175.07735	2.0
175.14815	2.2
177.05515	2.7
177.16406	10.1
179.17972	2.5
181.04977	2.5
181.15811	2.0
185.13354	3.3
189.16408	2.3
191.17981	9.2
197.13179	2.3
199.03973	2.0
199.14813	1.8
201.05525	3.0
203.17969	6.2
205.19556	2.8
209.13409	2.1
215.07016	10.1
217.19603	6.1
233.08151	2.1
235.20567	2.6
247.24257	2.4
261.25745	3.3
267.09933	1.9
273.25745	11.5
279.26801	7.9
287.05484	4.6
291.26859	67.5
293.08084	6.2
297.27777	5.0
309.27893	31.3
315.04898	2.9
317.06558	50.4
326.20615	3.1
327.28912	18.9
345.30002	3.2
395.29419	6.8
413.30554	9.4
419.11292	4.2
431.25659	2.2
431.31171	9.3
456.14474	2.9
479.11847	10.6
611.10132	2.4
611.28339	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	611.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01873	3.4
55.05511	7.7
57.03432	10.5
57.07071	4.8
61.02924	10.3
66.27563	1.4
67.05509	25.2
69.03435	32.0
69.07076	48.6
69.83226	7.9
70.03788	1.8
70.06581	3.6
70.07423	2.9
71.04997	6.9
71.46191	1.4
72.08167	1.6
73.02914	3.0
73.06554	5.3
79.05491	15.4
81.03425	15.0
81.07062	59.1
83.01366	1.6
83.05003	2.9
83.08633	9.5
84.08150	2.0
85.02914	65.6
85.06555	16.8
86.03220	1.8
86.09718	1.8
87.04503	8.7
91.03970	3.2
91.05482	19.1
93.07047	24.9
95.04984	5.0
95.08616	34.0
95.09180	3.0
97.02303	2.1
97.02902	28.9
97.06532	11.5
97.10184	4.1
98.03277	2.0
98.21467	1.9
99.04472	5.2
99.08105	7.9
105.07035	23.6
107.04984	2.6
107.08606	20.6
109.02891	8.8
109.06525	5.2
109.10161	33.1
111.08099	6.5
111.11710	2.9
113.09664	2.1
115.03938	5.7
115.07587	3.1
117.07032	8.8
119.08598	16.6
121.06514	2.0
121.10156	13.8
123.04456	2.1
123.11718	12.1
125.09628	8.1
127.03931	14.8
127.11212	4.0
128.06277	2.4
129.07033	5.6
131.08575	19.2
133.04962	4.3
133.10138	16.8
135.11729	11.0
137.02342	2.3
137.09636	2.1
137.13268	5.8
139.11208	2.1
141.06989	3.6
142.07793	2.3
143.08582	12.0
145.04968	10.1
145.10144	21.6
147.04408	2.1
147.08022	2.7
147.11658	11.3
149.09624	1.8
149.13239	7.7
151.11121	2.1
151.20160	1.3
155.08560	9.1
157.10130	15.6
159.11719	15.9
161.09602	1.7
161.13295	13.2
163.11209	2.3
163.14853	4.4
165.09120	2.3
165.12755	2.4
167.03427	4.0
167.08658	1.5
169.10155	6.7
171.11717	6.5
173.13293	8.3
175.14851	6.0
177.12769	2.1
179.03424	1.7
181.10101	3.1
183.11726	8.4
185.13260	9.9
187.14885	2.8
189.09111	1.8
191.10727	2.0
193.12135	1.5
195.11731	5.0
197.13319	8.4
197.14853	1.5
199.14854	7.0
201.12770	2.5
201.16348	2.7
205.19574	1.7
207.11850	1.5
208.04893	1.6
209.13272	6.4
211.14792	10.8
213.16403	6.0
215.17863	2.6
219.02835	1.8
223.14908	2.6
225.16420	6.0
227.17865	3.5
229.12137	2.2
229.15907	2.2
235.14882	1.9
237.16389	2.4
239.18033	1.6
243.06471	3.4
243.13921	2.1
243.17465	2.3
249.16371	1.7
251.17944	4.3
253.15775	1.5
253.19594	1.6
255.21101	2.3
257.15314	2.6
259.16885	2.4
261.18488	2.0
267.21069	3.1
271.16953	12.2
273.18460	2.1
273.22202	1.5
274.04749	1.7
279.21121	2.2
287.20206	2.5
289.18091	1.9
291.26855	10.3
299.20126	1.8
301.06924	2.8
302.04349	2.1
302.07394	2.9
303.07620	1.9
305.13138	1.4
309.22302	1.8
309.27618	4.0
317.06570	100.0
318.07126	3.0
321.22156	2.0
327.23267	2.8
327.29050	2.3
335.23825	1.6
335.27393	8.2
351.26807	3.0
353.28516	7.4
359.27429	5.2
367.29980	2.5
377.28506	13.6
395.29501	40.4
395.45950	1.5
413.30539	65.5
431.25446	2.3
431.31552	36.8
449.25497	2.4
457.20758	7.2
457.70721	20.4
458.20743	7.8
520.76245	2.0
529.76508	13.3
530.26715	6.8
575.35596	4.3
593.27771	2.0
593.36768	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01870	5.5
55.05506	16.7
57.03439	5.6
57.07072	6.5
59.05000	2.2
61.02928	5.6
67.05506	38.5
69.03436	17.1
69.07073	56.2
69.60612	14.6
70.06591	8.1
71.04982	10.1
71.08630	3.1
72.08162	2.5
73.02916	4.5
73.06557	2.6
79.05494	18.1
81.03429	25.7
81.07057	100.0
83.04977	2.9
83.08613	18.7
85.02910	33.9
85.06544	17.5
86.09741	3.2
87.00846	5.3
87.04478	2.3
91.05486	24.9
93.07047	32.1
95.04991	6.2
95.08611	94.8
96.08904	2.2
97.02909	13.3
97.06541	15.6
97.10187	10.1
99.04449	3.9
99.08104	8.6
103.05468	2.5
105.01868	5.1
105.07037	21.4
107.04959	4.8
107.08607	37.6
109.02869	5.1
109.06516	3.8
109.10164	57.1
111.08091	11.0
111.11713	7.1
113.09656	2.9
115.07553	5.5
117.07025	7.7
119.08581	20.4
121.06538	4.1
121.10162	23.4
123.04456	3.2
123.08063	3.4
123.11707	45.9
125.09638	6.3
125.13300	3.4
127.03928	11.0
127.11211	9.4
129.06967	2.4
129.09122	6.9
129.10222	2.2
131.08601	7.9
133.04971	3.1
133.10158	8.9
135.08112	4.7
135.11693	19.9
137.05974	2.5
137.09549	3.2
137.13274	20.1
139.11214	3.2
141.06992	3.0
143.08603	5.6
145.04918	5.3
145.10144	9.1
147.11714	9.3
149.06093	2.7
149.13272	27.3
151.14850	10.4
153.10028	2.3
153.12743	4.8
155.08604	4.1
155.14317	2.7
157.10109	7.2
159.11705	7.7
161.13237	11.5
163.03931	4.3
163.11212	3.3
163.14844	10.2
165.09116	6.0
165.12772	4.6
165.16479	3.6
167.14352	5.2
169.10165	4.3
173.13274	5.4
175.11192	2.9
175.14796	3.3
177.16423	6.1
183.11739	4.6
185.13231	3.9
189.16394	3.0
191.18011	3.8
199.14793	3.7
205.19550	7.1
209.13315	2.7
215.07085	6.3
217.19270	2.9
223.20529	6.1
225.16464	3.1
235.20503	2.3
255.21060	4.8
267.15924	2.8
273.22171	10.4
273.25461	13.4
279.26859	11.3
282.34811	2.2
284.04514	2.4
287.05530	3.5
291.26828	48.0
309.27844	34.1
311.76266	2.1
317.06558	38.3
327.29028	7.7
343.11444	2.4
345.29800	4.5
348.20120	2.7
377.28491	4.4
395.29364	13.8
413.30466	17.5
419.11029	5.6
431.24350	10.2
431.31259	12.5
449.25476	5.8
529.76532	2.9
593.27301	6.3
593.36499	5.0
611.29382	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	611.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01870	5.5
55.05506	16.7
57.03439	5.6
57.07072	6.5
59.05000	2.2
61.02928	5.6
67.05506	38.5
69.03436	17.1
69.07073	56.2
69.60612	14.6
70.06591	8.1
71.04982	10.1
71.08630	3.1
72.08162	2.5
73.02916	4.5
73.06557	2.6
79.05494	18.1
81.03429	25.7
81.07057	100.0
83.04977	2.9
83.08613	18.7
85.02910	33.9
85.06544	17.5
86.09741	3.2
87.00846	5.3
87.04478	2.3
91.05486	24.9
93.07047	32.1
95.04991	6.2
95.08611	94.8
96.08904	2.2
97.02909	13.3
97.06541	15.6
97.10187	10.1
99.04449	3.9
99.08104	8.6
103.05468	2.5
105.01868	5.1
105.07037	21.4
107.04959	4.8
107.08607	37.6
109.02869	5.1
109.06516	3.8
109.10164	57.1
111.08091	11.0
111.11713	7.1
113.09656	2.9
115.07553	5.5
117.07025	7.7
119.08581	20.4
121.06538	4.1
121.10162	23.4
123.04456	3.2
123.08063	3.4
123.11707	45.9
125.09638	6.3
125.13300	3.4
127.03928	11.0
127.11211	9.4
129.06967	2.4
129.09122	6.9
129.10222	2.2
131.08601	7.9
133.04971	3.1
133.10158	8.9
135.08112	4.7
135.11693	19.9
137.05974	2.5
137.09549	3.2
137.13274	20.1
139.11214	3.2
141.06992	3.0
143.08603	5.6
145.04918	5.3
145.10144	9.1
147.11714	9.3
149.06093	2.7
149.13272	27.3
151.14850	10.4
153.10028	2.3
153.12743	4.8
155.08604	4.1
155.14317	2.7
157.10109	7.2
159.11705	7.7
161.13237	11.5
163.03931	4.3
163.11212	3.3
163.14844	10.2
165.09116	6.0
165.12772	4.6
165.16479	3.6
167.14352	5.2
169.10165	4.3
173.13274	5.4
175.11192	2.9
175.14796	3.3
177.16423	6.1
183.11739	4.6
185.13231	3.9
189.16394	3.0
191.18011	3.8
199.14793	3.7
205.19550	7.1
209.13315	2.7
215.07085	6.3
217.19270	2.9
223.20529	6.1
225.16464	3.1
235.20503	2.3
255.21060	4.8
267.15924	2.8
273.22171	10.4
273.25461	13.4
279.26859	11.3
282.34811	2.2
284.04514	2.4
287.05530	3.5
291.26828	48.0
309.27844	34.1
311.76266	2.1
317.06558	38.3
327.29028	7.7
343.11444	2.4
345.29800	4.5
348.20120	2.7
377.28491	4.4
395.29364	13.8
413.30466	17.5
419.11029	5.6
431.24350	10.2
431.31259	12.5
449.25476	5.8
529.76532	2.9
593.27301	6.3
593.36499	5.0
611.29382	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	611.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
53.87400	1.2
55.01876	5.8
55.05510	12.3
57.03448	7.0
65.03936	1.8
67.05507	30.9
69.03439	12.5
69.07076	10.2
70.06596	1.1
71.05003	5.4
71.51958	1.2
72.08154	1.4
73.02924	1.5
77.03973	1.0
79.05070	1.9
79.05495	23.2
79.05921	2.0
81.03420	100.0
81.07059	21.5
83.04977	12.7
83.08620	11.1
85.02438	1.9
85.02905	17.6
87.04484	1.3
91.05486	60.7
93.07045	30.6
93.17875	1.0
95.04970	19.3
95.08611	22.6
97.02908	13.5
97.06532	5.8
97.10181	3.9
99.04468	3.9
99.08149	1.2
103.05441	1.2
105.07034	18.5
107.04969	7.2
107.08578	8.3
109.02883	14.7
109.06534	4.9
109.10151	12.4
111.04444	9.2
111.08104	4.5
113.06031	1.9
115.05464	2.6
117.07013	7.8
119.04951	1.2
119.08588	56.6
121.02881	1.3
121.06505	8.1
121.10146	8.8
123.04459	4.4
123.08120	3.6
123.11719	2.3
125.05981	2.1
125.09654	6.1
127.03932	5.2
128.06232	1.8
129.05493	1.4
129.07016	9.1
131.04964	1.9
131.08562	8.4
133.06529	3.4
133.10097	5.5
135.04434	2.2
135.08052	5.1
135.11676	2.0
137.06046	2.6
137.09619	26.8
137.10596	1.8
141.07021	1.4
143.08609	1.5
145.06514	2.9
145.10170	3.8
147.04445	2.9
147.08066	9.5
147.11673	9.8
149.09691	4.5
151.03909	2.5
151.07512	1.3
153.09166	3.8
153.12802	1.9
155.04962	1.1
155.08559	1.8
157.06578	1.8
157.10179	5.8
159.04379	1.1
159.08112	1.7
161.05984	1.4
161.09630	1.1
163.03899	6.0
163.07588	1.3
163.11203	3.9
165.05455	1.6
165.09108	23.6
165.12798	2.7
167.07121	1.3
167.08565	1.8
167.10765	1.5
169.10178	1.5
173.02422	3.9
173.06059	4.8
173.09554	1.1
175.11200	8.2
177.09209	1.1
181.05019	2.5
181.08638	2.6
183.10184	9.8
185.05995	1.3
185.09772	1.6
187.03943	2.3
189.05519	1.8
189.09172	1.6
193.12233	20.6
197.06096	1.2
199.03978	4.1
199.11346	1.1
201.05498	1.6
201.11160	1.4
211.13281	20.6
213.05563	2.6
215.07190	1.2
217.05038	1.2
227.10883	1.2
227.12875	3.7
239.10562	2.8
239.12732	15.4
249.15002	1.7
255.10179	1.4
257.13931	7.1
263.12961	2.1
267.15961	10.6
273.11270	1.5
277.14502	1.3
281.13968	1.4
283.09702	1.2
283.15768	1.4
285.17044	10.5
291.12625	1.2
301.14310	2.1
317.06558	9.8
319.15451	1.3
339.19495	1.1
345.13541	1.1
355.15079	1.2
357.20786	3.8
365.16260	1.1
383.17090	2.5
393.19272	1.6
401.16162	2.2
411.20178	2.2
429.20956	4.4
431.24271	15.3
449.25311	15.1
449.31076	1.2
467.26370	13.8
473.25052	1.4
491.26285	2.1
519.24023	2.6
537.24976	5.6
545.27533	1.3
557.27527	4.6
569.27441	1.6
575.28485	5.0
593.28656	24.8
611.30426	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
53.87400	1.2
55.01876	5.8
55.05510	12.3
57.03448	7.0
65.03936	1.8
67.05507	30.9
69.03439	12.5
69.07076	10.2
70.06596	1.1
71.05003	5.4
71.51958	1.2
72.08154	1.4
73.02924	1.5
77.03973	1.0
79.05070	1.9
79.05495	23.2
79.05921	2.0
81.03420	100.0
81.07059	21.5
83.04977	12.7
83.08620	11.1
85.02438	1.9
85.02905	17.6
87.04484	1.3
91.05486	60.7
93.07045	30.6
93.17875	1.0
95.04970	19.3
95.08611	22.6
97.02908	13.5
97.06532	5.8
97.10181	3.9
99.04468	3.9
99.08149	1.2
103.05441	1.2
105.07034	18.5
107.04969	7.2
107.08578	8.3
109.02883	14.7
109.06534	4.9
109.10151	12.4
111.04444	9.2
111.08104	4.5
113.06031	1.9
115.05464	2.6
117.07013	7.8
119.04951	1.2
119.08588	56.6
121.02881	1.3
121.06505	8.1
121.10146	8.8
123.04459	4.4
123.08120	3.6
123.11719	2.3
125.05981	2.1
125.09654	6.1
127.03932	5.2
128.06232	1.8
129.05493	1.4
129.07016	9.1
131.04964	1.9
131.08562	8.4
133.06529	3.4
133.10097	5.5
135.04434	2.2
135.08052	5.1
135.11676	2.0
137.06046	2.6
137.09619	26.8
137.10596	1.8
141.07021	1.4
143.08609	1.5
145.06514	2.9
145.10170	3.8
147.04445	2.9
147.08066	9.5
147.11673	9.8
149.09691	4.5
151.03909	2.5
151.07512	1.3
153.09166	3.8
153.12802	1.9
155.04962	1.1
155.08559	1.8
157.06578	1.8
157.10179	5.8
159.04379	1.1
159.08112	1.7
161.05984	1.4
161.09630	1.1
163.03899	6.0
163.07588	1.3
163.11203	3.9
165.05455	1.6
165.09108	23.6
165.12798	2.7
167.07121	1.3
167.08565	1.8
167.10765	1.5
169.10178	1.5
173.02422	3.9
173.06059	4.8
173.09554	1.1
175.11200	8.2
177.09209	1.1
181.05019	2.5
181.08638	2.6
183.10184	9.8
185.05995	1.3
185.09772	1.6
187.03943	2.3
189.05519	1.8
189.09172	1.6
193.12233	20.6
197.06096	1.2
199.03978	4.1
199.11346	1.1
201.05498	1.6
201.11160	1.4
211.13281	20.6
213.05563	2.6
215.07190	1.2
217.05038	1.2
227.10883	1.2
227.12875	3.7
239.10562	2.8
239.12732	15.4
249.15002	1.7
255.10179	1.4
257.13931	7.1
263.12961	2.1
267.15961	10.6
273.11270	1.5
277.14502	1.3
281.13968	1.4
283.09702	1.2
283.15768	1.4
285.17044	10.5
291.12625	1.2
301.14310	2.1
317.06558	9.8
319.15451	1.3
339.19495	1.1
345.13541	1.1
355.15079	1.2
357.20786	3.8
365.16260	1.1
383.17090	2.5
393.19272	1.6
401.16162	2.2
411.20178	2.2
429.20956	4.4
431.24271	15.3
449.25311	15.1
449.31076	1.2
467.26370	13.8
473.25052	1.4
491.26285	2.1
519.24023	2.6
537.24976	5.6
545.27533	1.3
557.27527	4.6
569.27441	1.6
575.28485	5.0
593.28656	24.8
611.30426	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.67488	0.2
55.01870	0.4
57.03446	0.7
61.02930	6.4
65.03945	0.2
68.99792	0.3
69.03430	2.1
69.55101	0.1
70.06574	0.5
70.64861	0.5
71.04980	0.3
72.08166	0.2
73.02921	2.0
76.02226	0.2
79.05474	0.2
81.03425	1.2
84.04493	0.2
85.02908	13.4
86.09705	0.2
87.04465	0.4
91.03961	5.1
97.02897	5.6
99.04472	0.7
101.02333	0.3
103.03925	0.2
105.03394	0.2
107.04971	0.2
109.02901	0.9
110.07127	0.1
111.00806	0.6
115.03939	0.5
121.02885	2.4
127.03922	3.1
129.10291	0.1
132.27196	0.2
133.02850	0.4
137.02356	0.8
145.04968	3.8
147.04359	0.6
153.01833	3.0
157.06465	0.4
163.03981	0.2
163.06023	1.6
165.01843	1.5
165.35437	0.2
181.62331	0.1
183.02911	0.9
183.04372	0.2
185.05981	0.3
213.05434	1.0
231.06541	0.6
241.04955	0.7
258.05255	1.0
259.06058	0.4
269.04547	0.2
286.04605	0.2
287.05505	100.0
288.05768	0.9
299.05560	1.2
299.23993	0.2
303.05048	0.2
308.09055	0.3
311.05536	0.5
325.07166	0.4
329.06555	1.6
353.06476	1.2
383.07944	0.2
395.07428	0.2
413.08630	0.4
431.09625	0.4
449.10855	1.2
477.08456	0.9
606.96924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Isorhamnetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
56.93804	0.2
57.03203	0.2
57.03439	3.4
59.04981	0.4
61.02926	1.6
67.05494	0.3
69.03431	10.1
70.06570	0.7
71.01366	0.3
71.04968	0.2
71.52797	0.4
72.40931	0.2
73.02906	0.6
79.05486	0.5
81.03405	0.6
84.08118	0.4
85.02909	7.1
86.09685	0.4
87.04468	5.3
91.03954	1.1
91.05474	0.3
93.03421	0.4
95.04984	0.5
97.02894	6.5
97.06502	0.3
105.07011	0.3
109.02866	0.4
115.03935	5.9
115.04735	0.2
119.08577	0.3
120.08067	0.3
121.02861	1.1
123.04445	0.9
125.02349	0.6
127.03896	0.6
133.04970	5.7
135.04395	0.4
137.02333	4.8
139.03969	0.3
145.04935	0.5
146.05997	0.7
149.02319	0.7
151.03894	0.8
155.04895	0.3
163.03885	0.6
167.03392	3.0
167.07045	0.4
176.46873	0.2
179.03355	1.5
180.04126	0.3
181.04822	0.2
183.04518	0.3
187.07590	0.4
188.07103	1.1
197.04488	0.5
209.04430	0.6
213.05504	0.4
215.07008	1.6
227.06802	0.3
228.04097	0.3
233.08043	0.4
241.08644	0.4
243.06516	3.4
256.03732	0.3
261.07553	0.6
271.05981	2.0
273.03766	0.3
274.04703	2.4
287.05621	0.5
288.06308	0.7
289.07181	0.3
299.05457	2.3
301.07278	0.3
302.04269	2.0
315.04999	1.2
316.05588	1.2
317.06555	100.0
318.06940	0.9
327.04974	1.0
329.06564	10.5
343.08249	0.4
345.05814	0.3
355.08145	2.0
359.07617	16.1
371.07526	0.3
383.03125	0.4
383.07596	4.6
395.07587	0.6
397.08905	0.3
401.08328	0.3
413.08655	1.1
425.08737	1.3
443.09692	2.4
449.10867	1.3
461.10663	2.1
479.11850	6.3
491.11865	0.5
611.15747	0.8
613.42816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06108	1.0
53.03948	6.1
55.01885	6.0
55.02110	1.2
55.05515	8.4
57.03443	3.4
61.02918	1.0
65.03935	1.7
67.05508	27.2
69.03428	4.0
69.07073	10.5
69.44844	2.4
69.45266	4.8
71.05000	2.9
79.05496	29.6
81.03423	100.0
81.07057	23.2
83.04980	5.3
83.08633	7.0
85.02914	3.4
85.06548	2.1
89.03929	2.0
91.05484	52.3
93.07047	31.6
95.04984	16.8
95.08595	18.3
97.02906	4.2
97.06541	3.7
97.10189	2.1
99.08108	1.6
103.05471	3.2
105.03399	1.1
105.04443	1.0
105.07049	20.2
107.04964	9.4
107.08597	10.3
109.02895	4.1
109.06541	2.7
109.10163	9.5
111.04437	2.0
111.08096	2.4
115.05485	4.6
116.68372	1.0
117.03400	3.7
117.07027	6.9
119.04940	1.2
119.08586	28.8
119.31844	0.9
120.09404	1.4
121.02909	1.2
121.06510	12.6
121.10144	8.0
122.07299	1.2
123.04475	8.3
123.08054	4.9
123.11729	2.0
125.02362	4.5
125.09669	2.7
127.03915	1.3
128.06242	2.0
129.07014	9.2
131.04964	1.9
131.08560	6.0
133.02888	2.4
133.06479	5.0
133.10149	5.6
134.03583	1.2
135.04433	9.1
135.08076	5.5
135.11728	3.6
137.06001	2.3
137.09618	15.1
141.06964	2.4
142.07800	1.7
143.04984	1.3
143.08560	1.2
145.02885	6.4
145.06508	4.6
145.10175	5.4
147.04439	6.3
147.08054	13.5
147.11696	4.5
148.08833	5.1
149.06010	2.1
149.09656	6.7
151.03922	2.8
155.08643	1.2
157.06525	4.0
157.10162	4.6
159.04404	8.7
159.08119	1.6
159.11697	1.8
161.02335	4.9
161.06020	4.1
161.09607	2.6
163.03914	50.6
163.07591	1.5
163.11209	8.3
165.07031	2.1
165.09128	14.5
167.08516	1.9
169.06459	2.3
171.04451	2.7
171.08134	1.5
173.02365	20.6
173.05981	6.7
175.03918	3.3
175.07588	2.1
175.11237	4.2
176.12025	1.7
177.12848	1.3
181.06511	2.2
183.08046	1.9
183.10191	2.9
185.06065	2.8
185.09692	1.1
187.03932	15.4
187.07565	2.2
187.10994	1.1
189.05449	2.3
191.03375	2.1
191.10709	2.5
193.12250	18.1
195.07968	1.1
196.05344	1.1
197.06006	4.0
197.09758	1.7
198.06758	1.8
199.03925	11.6
199.07564	2.7
199.11241	1.5
201.05493	5.2
203.07108	1.3
203.10663	1.2
206.07234	1.3
209.06247	1.2
209.11824	1.6
211.07497	2.4
211.11330	1.6
211.13275	2.3
213.05475	9.5
213.09120	2.4
215.07051	4.1
217.05093	1.6
221.09750	2.6
221.11710	1.4
225.05505	6.1
226.06343	1.2
227.07013	3.2
229.04915	2.4
231.06512	2.3
237.09146	1.6
239.07053	2.6
239.10698	9.3
239.12885	8.0
241.08545	1.6
249.12747	1.1
255.10211	3.0
263.12897	3.6
265.08560	2.2
267.10126	1.4
267.13754	3.7
267.16122	6.5
281.11917	1.7
283.09808	4.2
283.13358	3.5
291.10364	1.7
293.14041	6.8
309.11325	6.9
309.14679	1.6
311.12689	2.5
311.16214	1.2
313.14429	2.1
319.15698	2.0
327.12308	15.9
327.15796	1.7
335.16498	1.1
337.14255	8.6
345.13455	5.9
354.14713	1.6
355.15430	13.5
357.20828	1.5
383.14832	1.5
393.07779	1.1
401.15997	10.2
411.17947	1.7
429.19180	10.0
431.24484	3.1
432.25247	4.8
447.20282	1.5
449.25534	3.2
477.22742	1.5
491.24487	2.3
501.22803	3.7
519.23834	12.2
537.24854	35.2
551.26343	2.1
555.26080	4.0
567.31824	1.3
569.27612	11.1
575.26764	4.2
593.27521	62.2
611.28638	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03937	0.4
54.72072	0.1
55.01861	0.3
56.02639	0.1
56.05146	0.1
57.03428	0.8
61.02928	6.1
68.99784	0.4
69.00123	0.1
69.03087	0.2
69.03428	2.1
70.06576	0.1
70.50764	0.3
70.51134	0.2
71.04979	0.4
72.08181	0.1
73.02922	1.8
77.59727	0.1
81.03424	0.9
85.02905	11.6
87.04464	0.3
87.65814	0.1
91.03957	5.3
97.02895	5.1
97.03531	0.2
99.04446	0.5
101.02375	0.1
105.03411	0.3
107.04929	0.3
109.02894	1.0
111.00846	0.6
115.03931	0.5
121.02869	2.1
123.66213	0.1
127.03925	2.8
133.02869	0.4
137.02361	0.9
141.07123	0.1
145.04973	3.0
145.06287	0.2
145.06503	0.2
147.04411	0.4
153.01825	3.1
157.06471	0.3
163.06029	1.9
165.01852	1.6
171.04431	0.2
183.02921	0.7
185.05972	0.4
199.03940	0.1
203.03304	0.1
213.05428	1.2
231.06494	0.5
241.04927	0.6
258.05246	0.9
259.06146	0.3
269.04495	0.2
287.05499	100.0
288.05807	1.0
299.05600	0.3
311.05377	0.2
316.05679	0.2
325.07037	0.2
329.06439	0.6
342.28262	0.1
353.06604	0.4
383.07697	0.2
385.46545	0.1
395.07715	0.1
431.09863	0.2
449.10504	0.3
477.07809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Isorhamnetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
50.70359	0.1
50.70609	0.1
53.03949	0.2
53.81575	0.1
54.45454	0.1
55.01868	0.1
55.05500	0.1
57.03439	2.0
59.04996	0.4
61.02933	1.5
65.03941	0.1
67.05512	0.1
69.03433	6.2
69.07063	0.3
69.89955	0.1
69.90235	0.5
70.06589	0.1
73.02924	0.5
77.47279	0.1
78.22832	0.1
79.05484	0.1
81.03403	0.6
81.07051	0.3
83.04977	0.1
85.02910	5.3
87.04472	3.8
91.03963	1.0
91.05502	0.2
93.03405	0.2
95.04958	0.5
97.02901	4.7
98.21447	0.1
99.04453	0.1
105.07042	0.2
106.49897	0.1
107.04981	0.1
107.08577	0.2
109.02887	0.4
111.04414	0.2
115.03940	4.3
119.58919	0.1
121.02861	0.7
123.04448	1.0
124.01601	0.3
125.02318	0.5
127.03915	0.5
133.04980	4.0
135.04422	0.1
137.02338	2.1
137.03300	0.2
139.03891	0.2
141.05435	0.3
145.04982	0.5
147.11777	0.1
149.02348	0.4
150.03145	0.1
151.03909	0.9
155.04921	0.2
161.13222	0.6
163.03928	0.6
163.06055	0.2
167.03410	2.8
169.04929	0.1
179.03397	1.6
180.04225	0.3
183.04468	0.2
187.07585	0.2
193.04977	0.1
197.04420	0.6
197.06053	0.1
200.04709	0.3
201.05544	0.1
205.09781	0.1
209.04453	0.3
213.05457	0.2
214.88510	0.1
215.07018	1.2
217.05084	0.1
219.02896	0.1
228.04204	0.4
233.08110	0.2
243.06546	3.3
253.04945	0.2
255.21082	0.3
256.03568	0.1
259.08200	0.2
261.07581	0.6
271.06012	1.7
273.03925	0.3
273.22141	0.8
274.04739	2.5
288.06265	0.5
289.06921	0.1
294.44830	0.1
299.05490	0.9
300.06360	0.1
302.04239	2.1
317.06564	100.0
318.06924	0.9
329.06561	0.5
355.08044	0.2
359.07803	0.5
371.87198	0.1
383.07767	0.2
417.33871	0.2
443.09674	0.2
449.10730	0.3
469.36636	0.1
479.11835	0.3
611.37842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.1
57.07061	12.2
59.05018	16.2
67.05500	25.4
69.03429	4.9
69.07069	61.9
69.21013	28.9
69.33561	2.8
70.06577	2.8
71.04974	4.9
71.08609	4.0
75.32214	2.7
79.05475	13.0
81.03411	11.3
81.06592	5.0
81.07057	82.5
82.86050	2.8
83.08617	35.1
85.02907	5.3
85.06538	6.6
87.00822	3.5
89.06034	5.4
91.05473	12.3
93.07058	30.7
95.04954	3.4
95.08608	100.0
97.06506	6.2
97.10160	12.5
98.20806	5.1
99.08080	11.7
99.34754	2.9
105.01855	3.4
105.07017	11.5
107.08589	32.4
109.10156	50.4
111.08057	12.8
111.11732	20.8
119.08582	15.5
120.08853	2.5
121.06494	3.6
121.10146	26.7
123.11710	47.1
125.09611	3.9
125.13294	6.1
133.10130	4.9
135.11711	27.7
137.13275	35.6
147.08051	2.9
147.11653	7.9
149.13260	30.4
149.87938	2.6
151.14798	9.3
152.51105	2.7
153.12692	3.5
161.13243	8.2
163.14841	14.7
165.16486	13.0
175.98978	3.2
177.16394	11.0
178.00189	2.9
191.17949	7.6
203.17923	6.1
209.18997	5.6
217.19612	4.4
221.22559	3.9
233.22523	6.7
251.23894	5.3
261.25790	28.9
273.25739	33.2
279.26849	56.6
291.26834	85.1
309.27872	65.5
327.28967	5.7
352.28690	3.1
418.28833	3.0
503.29849	7.0
539.31897	3.7
610.26587	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	610.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17595	3.3
53.03946	11.5
55.01872	4.8
55.05522	28.0
55.58704	3.8
57.03445	9.0
65.03931	5.6
67.05507	80.8
69.03443	4.4
69.07073	29.7
69.17419	10.4
69.17835	30.0
71.04987	5.7
71.08636	22.4
73.04729	3.9
75.95818	3.9
79.05497	83.8
81.03421	15.5
81.07060	84.7
82.07391	6.2
83.04985	17.1
83.08633	19.5
85.06541	6.5
91.05473	65.7
93.07052	90.8
95.04956	20.6
95.08616	54.7
97.06529	9.4
97.10176	11.0
97.93353	3.7
99.08107	20.6
105.04501	3.9
105.07040	51.1
107.04921	6.5
107.08588	31.3
109.06514	7.4
109.10165	13.4
111.08080	8.5
117.07050	19.9
119.08585	34.7
121.06483	4.6
121.10175	14.1
121.67370	4.1
123.08089	8.1
125.09646	6.6
129.07008	17.7
131.08577	17.4
133.10139	22.4
135.11732	12.6
143.08553	9.2
143.21141	3.9
145.10130	20.9
147.08069	6.4
147.11682	38.2
149.13316	12.6
151.11163	26.2
157.10214	4.1
159.11737	7.9
161.09622	4.8
161.13275	13.9
163.11214	15.0
169.10094	5.1
171.11711	23.8
173.13271	6.0
175.11253	4.8
177.12801	7.9
179.14391	8.5
189.12718	9.0
199.15041	5.2
207.13818	26.2
225.14806	4.8
227.12885	7.5
259.20700	6.0
262.19342	3.9
267.15851	4.6
269.17450	11.4
275.20041	6.3
277.21643	16.2
281.17471	53.0
351.25339	22.0
475.30566	100.0
539.37885	4.7
541.49481	3.6
557.38605	35.1
610.37769	4.4
610.45807	35.5
616.63837	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	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.01572	0.4
52.22358	0.4
53.03944	1.6
55.01881	1.6
55.05514	12.1
56.56055	0.4
57.03444	3.2
57.07087	2.2
59.04994	0.4
65.03946	1.2
67.05511	20.6
69.07072	10.0
69.07423	0.8
69.97475	0.9
69.97865	0.7
71.04995	1.2
71.08636	0.8
77.03930	0.5
79.05498	13.4
81.07063	21.2
83.04993	1.0
83.08632	5.8
85.06544	1.0
91.05492	11.5
93.07051	14.2
93.07644	0.7
95.04964	1.1
95.08613	18.8
97.06533	1.6
97.10168	3.5
99.08115	0.5
103.05490	0.5
105.04566	0.5
105.07041	14.0
107.08610	9.7
109.06507	1.1
109.10156	7.9
109.93273	0.4
111.08099	1.0
115.05487	1.5
117.07028	6.7
119.08587	12.6
121.10154	7.0
123.08071	1.1
123.11713	2.2
125.09654	1.3
128.06212	2.0
129.07011	9.5
130.07784	0.8
131.08569	11.6
133.10146	9.0
135.11710	3.9
137.13245	0.8
139.11179	0.8
141.06990	3.7
142.07764	2.3
143.08563	13.0
144.09396	0.5
145.10133	12.4
147.11703	5.6
149.13242	2.0
153.06969	1.2
154.07806	1.1
155.08577	10.5
156.09378	1.6
157.10138	11.6
158.10945	0.6
159.11702	8.6
159.12875	0.7
161.13268	3.4
163.14868	1.0
165.07077	1.3
166.07750	0.9
167.08583	5.1
168.09352	1.3
169.10138	12.7
170.10968	1.0
171.11699	11.1
173.13281	5.8
175.14877	1.6
178.07803	0.5
179.08563	2.0
179.45009	0.4
180.09372	1.2
181.10147	6.8
182.10947	1.0
183.11717	12.2
184.12440	0.8
185.13275	8.7
187.14861	3.7
189.16458	1.0
191.08617	0.7
192.09435	0.5
193.10208	2.5
194.10899	0.9
195.11713	8.1
196.12488	0.8
197.13260	9.6
199.13232	0.5
199.14832	5.7
201.16492	1.3
203.18001	0.7
205.10219	1.1
206.11086	0.6
207.11713	2.9
209.13277	7.0
210.14029	0.5
211.14830	6.2
212.35440	0.4
213.16452	4.0
215.18071	0.8
219.11694	0.7
221.13260	2.3
223.14833	4.9
225.16403	4.2
227.18069	2.9
233.13327	0.8
235.14835	2.1
236.15404	0.6
237.16405	3.1
239.17989	3.4
241.19556	1.7
247.14824	0.9
249.16359	2.0
251.18028	2.4
253.19611	1.6
257.19043	0.9
259.20609	0.6
261.16473	0.6
263.17990	1.1
265.19568	1.2
267.21115	1.3
269.18945	0.7
269.22598	0.5
275.20401	0.7
277.19415	0.8
279.21271	0.6
281.22693	0.8
283.20502	0.8
285.18362	0.5
289.19437	0.5
291.21014	0.7
293.22626	0.7
295.20599	0.5
297.21838	0.8
299.20288	0.5
299.23743	0.6
307.20309	0.6
309.22055	1.0
311.20041	0.9
311.23553	0.6
313.21756	0.6
321.22244	0.9
323.23593	0.9
325.21759	0.5
325.25308	0.8
327.23224	0.7
335.23587	0.7
337.25308	1.5
339.23193	0.7
339.27054	0.6
341.24933	0.8
349.25339	1.1
351.23322	0.7
351.26996	2.3
353.24582	0.7
363.26773	1.0
365.24628	0.7
365.28589	1.2
377.28299	0.8
379.30280	0.7
381.27759	0.5
391.30020	0.6
393.27502	0.9
393.31927	0.9
403.29828	0.6
405.31909	0.8
407.29108	0.5
409.31290	0.7
421.30496	0.7
433.30649	0.9
435.32401	0.8
447.32645	1.2
449.34143	0.6
461.11697	0.4
461.21182	0.4
461.33917	0.8
473.32712	0.6
475.35278	0.7
476.21594	0.5
479.34485	0.5
499.39752	2.0
501.35614	0.6
509.36270	0.4
517.40472	12.0
521.24750	0.6
521.36316	0.7
525.35522	0.4
535.41504	5.4
539.37653	1.0
541.39014	0.6
549.24225	0.6
553.42413	0.8
555.42139	0.8
567.39948	0.5
573.42969	1.6
591.44122	13.3
609.27216	9.5
609.45160	100.0
610.45380	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	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03944	0.8
55.01863	1.7
55.05517	12.8
57.03445	3.9
57.07081	1.9
65.03960	1.1
67.05511	20.0
69.03441	0.5
69.07076	10.3
71.05022	1.0
79.05502	13.1
81.07063	20.4
83.04967	0.7
83.08621	6.3
85.06554	1.4
91.05486	11.2
91.06025	0.8
91.13834	0.6
93.07051	15.2
95.04964	1.4
95.08616	18.4
97.06509	2.6
97.10171	3.4
99.08096	1.0
100.30626	0.5
103.05492	0.5
105.04579	0.6
105.07040	11.6
107.08606	11.0
107.09312	0.8
109.06532	1.1
109.10157	7.3
111.08092	1.0
111.72944	0.6
112.76211	0.5
115.05505	0.9
116.06264	0.6
117.07020	8.1
119.08588	12.0
119.09365	0.8
121.06377	0.5
121.10155	7.5
121.14481	0.5
123.08088	1.6
123.11705	1.6
125.09666	1.9
128.06229	2.5
129.07013	9.6
130.07837	0.5
131.08591	12.1
133.10153	8.8
135.11711	4.4
137.13213	0.9
139.11150	0.6
141.06993	5.4
142.07803	2.5
143.08569	12.0
144.09442	0.5
145.10136	12.3
147.11702	5.4
149.13293	2.0
151.14926	0.7
153.07010	1.7
154.07765	1.3
155.08566	10.9
155.09732	0.8
156.09364	1.7
157.10139	13.3
157.11328	0.9
159.11717	9.6
161.13271	3.3
163.11234	0.9
163.14867	1.5
165.07071	0.8
167.08594	6.1
168.09355	1.8
169.10143	15.6
170.11032	0.7
171.11716	11.3
172.87613	0.6
173.13290	5.7
175.14882	1.4
178.07886	0.6
179.08583	2.6
181.10123	9.0
182.10956	1.5
183.11703	14.5
183.13245	1.0
184.12334	0.8
185.13275	7.7
187.14842	3.8
189.16412	1.4
191.98254	0.7
193.10115	3.7
194.10968	1.1
195.11717	9.2
195.13420	0.7
196.12572	0.7
197.13287	10.7
199.14839	6.0
201.16467	1.4
205.10098	0.6
207.11711	3.4
209.13249	8.7
210.13968	0.8
211.14828	7.9
213.16440	3.8
215.17982	0.9
219.11708	1.2
221.13275	2.3
222.14082	0.6
223.14839	6.6
225.16391	6.0
227.17935	3.3
233.13380	1.5
235.14871	2.2
237.16371	4.3
239.17950	3.5
241.19582	1.9
247.14865	0.8
249.16429	1.8
251.18047	2.9
253.19533	2.1
255.21217	0.7
257.19016	0.7
261.16476	0.8
263.17996	1.5
265.19669	1.1
267.21024	0.7
269.22900	0.8
273.22668	0.5
275.20349	0.6
277.19577	0.6
279.20978	1.1
281.19153	0.6
281.22714	0.8
283.20407	0.7
293.22372	0.9
297.22156	0.7
299.20139	0.7
309.22208	1.1
311.20087	0.6
313.21783	0.7
321.22238	1.0
323.23749	1.4
325.21686	0.8
325.25494	0.8
327.23203	1.1
335.23758	2.0
337.25241	1.2
339.26971	0.8
349.25433	1.4
351.26993	1.8
353.24915	0.7
355.26663	0.6
363.26862	1.3
365.24622	0.7
365.28467	1.3
377.28400	1.0
379.26068	0.8
379.30240	1.1
381.28003	1.1
391.30118	1.0
393.27786	0.8
393.32205	0.7
405.31680	1.0
417.31680	0.6
435.32336	1.1
447.32336	1.0
449.34381	0.8
461.34409	1.1
465.34009	0.7
475.35202	0.8
479.35507	0.7
499.39398	1.8
511.37958	0.8
517.40552	13.7
527.36694	0.7
535.41815	6.2
539.37305	2.1
541.38617	0.7
553.43304	0.8
555.41437	0.7
567.40039	0.8
573.42834	2.5
591.37244	0.6
591.44128	18.6
609.45184	100.0
610.45532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.23207	0.5
53.03941	1.5
55.01869	2.1
55.05513	12.7
57.03446	3.7
57.07062	1.6
65.03925	1.5
67.05507	26.2
68.09031	0.6
69.07070	11.5
69.18340	1.7
69.18745	4.3
71.05009	1.0
71.08631	0.6
72.95821	0.5
77.03933	0.8
79.05498	17.4
81.07059	22.2
83.04996	1.7
83.08620	5.9
85.06536	1.4
86.98524	0.6
91.05484	15.7
93.07047	18.6
95.04994	1.3
95.08615	20.3
97.06538	1.9
97.10177	2.6
99.08155	0.7
103.05474	0.7
105.04561	0.7
105.07037	18.0
107.08597	10.6
109.06531	0.6
109.10166	7.6
111.08080	0.8
115.05491	1.0
117.07031	9.3
119.08586	14.5
121.10146	8.5
123.08030	0.7
123.11727	1.6
125.09635	1.3
128.06226	1.8
129.07031	8.7
130.07729	0.7
131.08566	13.7
133.10138	11.7
135.11681	4.4
137.13190	0.7
139.11154	0.6
141.07005	4.8
142.07793	3.1
143.08563	11.3
145.10138	13.6
147.11676	6.0
149.13258	2.2
153.07042	0.9
154.07747	0.9
155.08559	9.9
156.09337	1.7
157.10132	13.2
159.11682	9.3
161.13249	3.2
163.14821	1.5
165.06996	1.1
167.08519	4.2
168.09297	1.5
169.10136	12.7
171.11705	10.8
173.13257	6.2
175.14876	1.5
179.08621	1.6
181.10130	6.8
182.10878	1.1
183.11694	10.8
185.13275	7.4
187.14862	2.8
193.10199	2.2
195.11723	6.2
196.12683	0.7
197.13289	8.2
197.97734	0.6
199.13213	1.0
199.14833	6.0
201.16441	2.4
203.17975	0.6
207.11707	2.5
209.13264	6.5
211.14836	6.8
213.16461	2.7
215.17915	1.1
219.11777	0.8
221.13275	2.1
223.14841	3.5
225.16412	3.6
227.18190	1.3
229.19682	0.7
230.47845	0.6
233.13353	0.9
235.14810	1.9
237.16470	3.0
239.17960	4.1
239.49663	0.6
241.19580	1.4
247.20563	0.8
249.16327	1.2
251.18010	1.5
257.19031	1.6
261.22339	1.2
263.17889	0.6
265.19565	1.1
275.20193	2.4
279.21069	1.1
283.20630	1.1
291.21140	1.0
295.20572	1.0
299.20193	0.7
307.20334	1.0
309.22281	0.8
311.23877	0.9
313.25409	0.8
321.22134	1.0
323.23532	1.5
325.25534	1.1
337.25293	1.1
339.23337	0.9
339.27026	0.9
349.25082	1.1
351.26776	2.2
363.26895	1.0
365.24463	1.0
365.28543	1.3
377.28149	1.0
407.29285	0.9
421.30511	0.7
447.32492	1.3
449.34207	1.0
499.39743	0.8
515.37854	0.7
517.40491	8.8
521.36060	0.9
527.37616	0.8
531.24017	1.5
535.41687	4.6
539.37567	1.5
573.42975	0.9
591.26178	1.8
591.44098	10.1
609.27240	8.1
609.45172	100.0
610.45398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86110	1.6
53.03943	5.0
55.01868	4.1
55.05515	10.1
57.03427	5.7
60.04515	2.1
61.02934	15.6
65.03962	1.9
67.05511	11.2
69.03429	7.8
69.07060	5.0
70.06597	26.4
71.04997	2.5
72.08157	23.2
73.02926	6.4
74.06084	2.0
78.75228	1.6
79.05495	18.1
81.03423	100.0
81.07065	16.6
82.01687	1.6
83.04993	7.8
83.08618	22.8
84.04522	14.6
84.08147	24.7
85.02915	22.4
85.06533	3.0
86.09717	15.2
87.10054	1.7
91.03967	15.6
91.05495	24.4
93.07069	10.7
95.04976	40.5
95.08624	5.1
97.02902	13.1
97.06552	4.0
97.10191	2.2
101.07177	1.6
102.05557	3.7
103.05431	2.0
105.07043	12.4
107.04977	9.2
107.08602	6.7
109.02879	5.6
109.06506	3.5
109.10161	3.5
111.04427	3.3
111.08104	10.6
115.03853	2.0
115.05451	3.9
117.07047	2.5
119.04960	8.1
119.08599	13.1
120.08121	8.0
121.06516	5.8
121.10178	8.2
123.04419	9.8
123.08047	2.1
125.09635	2.0
127.03919	6.8
129.07053	10.2
129.10251	14.8
131.08575	10.2
133.06488	4.8
133.10123	7.0
135.11752	2.4
136.07584	6.0
142.08667	1.9
145.05003	5.0
145.10150	2.2
147.04408	9.9
147.08064	4.9
147.11711	11.7
149.05904	2.2
149.09634	5.1
151.05193	1.7
156.13754	1.7
157.10124	14.0
163.03947	2.1
163.06081	8.9
163.11145	3.8
165.12886	2.2
171.11732	2.3
175.03911	8.2
175.11217	13.8
193.12262	69.2
207.06531	22.3
207.13792	2.2
211.11220	3.0
211.13315	14.2
235.13330	11.1
246.14877	2.2
255.13724	1.7
259.13309	4.9
267.15945	50.0
273.14914	5.8
285.16989	70.0
301.14331	4.1
309.17029	32.5
311.92038	1.8
351.17984	4.6
363.18011	7.5
375.18195	8.2
393.19077	7.2
411.20184	5.4
429.21115	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	609.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01867	3.2
55.05512	7.9
57.03443	5.1
57.07081	6.0
59.04995	1.1
61.02922	4.0
65.03928	1.7
67.05508	31.0
69.03433	35.4
69.07073	13.5
71.04981	3.6
71.11298	0.9
73.02901	3.2
79.05492	15.6
81.03424	9.6
81.07057	56.3
83.04977	2.4
83.08626	4.2
84.08126	1.2
85.02909	36.2
85.06546	37.8
87.04468	2.0
91.03951	3.4
91.05479	14.1
93.07042	17.9
95.04963	3.6
95.08618	16.2
97.02892	13.9
97.06528	3.7
97.10180	2.1
99.04453	4.4
99.08096	17.7
101.02381	1.0
105.07037	20.0
106.25224	1.3
107.04946	2.6
107.08594	11.9
109.02889	5.5
109.06502	1.9
109.09469	2.0
109.10163	25.5
111.04431	2.0
111.08080	2.0
113.09670	2.3
115.07575	9.5
117.07008	9.7
119.08595	16.1
121.06507	3.1
121.10152	10.9
123.08100	2.4
123.11730	6.5
125.05949	1.7
125.09636	24.3
127.03957	6.6
127.11186	5.4
128.06258	1.9
129.07007	6.2
131.08575	14.6
133.06453	1.5
133.10135	17.1
135.08000	3.0
135.11688	9.9
137.05986	1.3
137.09630	1.3
137.13251	1.5
139.11203	16.8
141.07005	4.5
142.07762	4.2
143.08560	15.6
145.04979	3.9
145.06555	1.7
145.10133	15.3
147.08055	2.1
147.11705	10.2
149.09660	1.6
149.13258	2.5
151.07607	1.6
151.11191	3.7
153.12787	2.1
155.08580	8.4
156.09344	1.6
157.10143	18.4
159.08058	2.2
159.11697	13.1
161.09625	3.1
161.13287	4.0
163.07480	1.4
163.11192	3.0
167.08537	3.9
168.09328	1.4
169.10107	8.3
170.10791	1.1
171.11659	8.0
173.09572	2.3
173.13214	5.9
175.11223	3.0
175.14824	2.1
177.09076	1.2
177.12819	1.5
179.08519	2.2
179.10646	1.0
181.10172	5.4
181.11734	1.1
182.10902	2.0
183.11702	9.7
185.13274	7.5
187.07448	1.2
187.11137	1.1
187.14789	2.7
189.09178	1.3
191.10664	1.7
191.14445	1.2
193.10156	1.0
193.12222	1.6
195.11714	6.1
197.13255	11.5
199.14827	21.5
203.10689	1.5
207.11687	4.4
209.13297	7.8
211.14865	6.4
213.16383	4.7
215.14305	1.7
217.12297	2.1
221.13358	2.1
223.14868	8.5
225.16382	8.3
227.14403	2.2
229.12341	1.2
229.15930	1.5
231.17461	1.2
233.13264	1.1
235.14879	2.1
237.16415	2.9
239.18028	1.8
241.15919	5.4
243.13870	3.2
243.17413	1.1
245.15359	1.3
249.16464	2.8
251.14310	2.1
253.19601	1.6
255.21136	2.3
257.15396	3.8
259.16940	6.7
263.17908	1.4
265.19717	1.3
267.17508	1.5
269.15372	5.3
269.22592	1.8
277.19418	1.5
279.21121	3.4
285.18448	5.3
287.16449	6.0
293.18726	1.2
293.22421	1.1
295.20456	1.7
297.22104	13.8
303.19257	1.2
309.21976	1.3
313.21652	2.3
315.23080	1.2
327.23273	2.4
333.25552	1.8
337.21555	1.5
347.27408	1.6
351.26904	6.7
365.28296	3.3
369.28137	1.4
375.26935	7.0
383.29233	1.7
393.27887	23.2
411.28940	50.8
429.30051	26.8
447.31427	2.2
555.33136	3.0
573.34229	13.0
591.35321	100.0
592.36188	1.2
609.28107	4.2
609.36200	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	609.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01872	3.8
55.05510	10.7
57.03442	14.6
57.34717	1.9
61.02930	14.1
67.05503	21.0
69.03432	11.3
69.07069	8.8
70.06599	18.8
71.01353	3.9
71.03271	3.9
71.04987	5.2
71.74473	2.0
72.08147	10.6
73.02920	7.3
79.05508	20.2
81.03423	100.0
81.07058	20.9
83.04987	10.0
83.08620	18.4
84.04507	5.2
84.08154	8.0
84.92412	1.7
85.02915	22.2
86.09713	9.3
91.03964	8.7
91.05479	28.3
92.95325	1.9
93.07051	21.9
95.04975	38.6
95.08617	7.0
97.02905	22.5
97.06538	3.2
97.10167	4.3
98.20716	2.0
99.04478	5.5
103.03954	8.6
103.05489	2.1
105.07037	17.9
107.04943	12.3
107.08585	9.1
109.02892	8.6
109.06545	4.2
110.07125	2.5
111.04430	3.1
111.08110	9.7
115.03917	2.3
117.07035	2.6
119.04948	3.1
119.08613	16.1
120.08129	8.8
121.06525	6.9
121.10157	16.0
123.04411	8.0
123.08084	2.9
127.03939	10.3
127.08686	2.0
129.07025	12.0
129.10287	6.3
131.04953	2.9
131.08582	10.7
133.06517	3.3
133.10141	9.9
135.04398	2.3
135.11685	3.6
136.06171	3.4
136.07564	3.2
137.05977	2.9
139.11174	6.4
145.04948	4.4
145.10124	6.8
146.17793	2.2
147.04414	7.1
147.08054	4.6
147.11702	10.5
149.09624	13.0
157.10161	14.2
161.05945	3.4
163.03928	5.4
163.06012	2.4
163.11281	4.5
165.12860	2.3
167.10712	2.4
171.06488	1.9
173.09586	3.2
175.11203	18.5
183.06526	4.6
193.10477	2.9
193.12259	56.8
201.07658	3.9
207.11322	9.7
207.13789	3.3
211.13300	11.9
217.12219	3.5
231.13850	2.2
234.13596	4.4
235.11115	3.1
235.13257	16.1
241.14297	4.3
247.13231	2.4
249.14949	22.7
259.13248	10.1
267.15939	60.1
273.14890	6.8
277.14407	3.8
285.17004	39.0
296.06464	3.5
301.14471	12.1
309.16989	57.0
309.20459	3.9
319.15506	4.7
324.05658	5.5
334.30298	2.2
351.18051	9.5
363.18027	9.3
375.18109	15.5
393.19177	14.8
411.20047	14.0
429.21249	7.1
609.27435	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03930	0.9
55.05504	2.6
57.07083	0.8
64.76194	0.6
67.05508	5.9
69.07064	2.4
71.53518	0.9
79.05490	5.5
81.07056	5.5
83.08607	1.5
85.06596	0.9
91.05487	3.6
93.07066	4.2
95.08604	3.9
97.06496	1.0
97.10156	0.9
105.07040	3.5
107.08598	2.7
108.52049	0.7
109.10161	2.2
117.07018	1.7
119.08611	2.1
121.10163	2.1
123.11668	0.9
129.07007	1.4
131.08557	2.9
133.10127	2.9
135.11705	1.0
143.08598	2.5
145.10097	3.5
147.11713	1.7
157.10162	1.5
159.11665	1.3
161.13271	0.8
169.10165	1.0
171.11676	1.2
183.11691	0.9
239.17868	1.0
257.19107	1.8
261.22430	0.9
275.20065	2.2
298.56909	0.8
405.20929	0.9
415.19281	1.3
417.21106	1.0
419.18460	0.8
421.19995	0.9
429.20874	2.8
430.21637	1.1
433.24304	2.0
443.22812	1.1
444.23553	1.5
447.17426	1.0
447.22366	1.2
457.19690	1.0
459.21777	2.3
460.22726	2.2
461.18613	1.0
461.23633	2.5
462.20230	1.2
472.22635	1.4
473.23398	0.9
475.20868	0.8
476.21829	3.4
477.23026	1.9
485.23129	1.6
487.25131	3.2
489.22922	2.0
503.24829	1.9
511.37732	1.1
519.24353	2.3
521.22064	2.4
531.23914	21.1
532.24469	1.9
535.40576	0.7
549.24994	12.8
591.26031	3.2
609.27087	100.0
609.43878	12.2
610.27325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.04524	0.5
55.05515	1.0
57.07077	0.5
59.89408	0.4
61.62452	0.5
67.05510	2.7
69.07063	1.6
69.69368	1.2
69.69785	1.5
71.68851	0.5
71.96214	0.4
79.05506	1.6
81.07048	2.7
91.05496	1.9
93.07049	1.8
95.04968	0.5
95.08622	1.9
105.07056	1.6
107.04979	0.7
107.08626	1.4
109.10181	1.0
119.08582	1.6
121.10098	1.0
129.07057	0.6
131.08585	1.5
133.10155	1.5
143.08591	1.3
145.10115	1.7
167.08653	0.6
171.11647	0.7
221.11089	0.5
237.16257	0.7
257.19003	0.7
275.20206	0.9
350.88455	0.6
373.15161	0.5
377.18051	0.7
388.07376	0.6
389.17688	0.7
391.19333	1.1
393.20831	0.5
402.18414	0.9
403.19318	1.6
404.20221	1.2
405.20923	1.9
406.21625	0.5
407.22333	1.5
408.37610	0.6
411.62943	0.5
415.19516	0.7
417.16440	1.1
417.20941	1.8
418.17453	0.7
419.22955	3.1
420.23105	1.3
430.17413	0.9
431.17795	2.8
431.23550	0.7
432.19476	1.5
432.24121	0.6
433.20313	7.1
435.21829	0.9
443.18750	2.1
444.19534	1.9
445.19971	3.5
446.21268	2.7
447.21823	3.8
448.22827	2.3
458.21127	5.5
459.21738	4.3
460.22620	4.6
461.19690	1.0
462.20251	0.7
463.20978	2.6
473.23682	0.7
475.21515	1.6
476.22104	1.8
477.22684	1.7
503.24329	1.1
517.22290	0.8
518.23193	3.0
519.23938	10.4
521.22339	2.3
531.23816	2.0
532.24756	1.5
549.25006	3.6
563.26813	0.6
576.23627	0.8
591.26074	12.9
609.27069	100.0
609.44843	6.2
610.27350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.87316	0.2
55.05504	1.0
57.07064	0.4
67.05515	1.8
69.07064	0.8
70.97171	0.4
70.97515	0.3
74.88327	0.2
78.56184	0.2
79.05495	1.3
79.17933	0.2
81.07069	1.6
83.08637	0.6
91.05500	1.0
93.07060	1.4
95.08598	1.0
97.06541	0.4
97.10166	0.3
98.98524	0.3
105.07037	1.5
107.08598	0.9
109.10156	0.7
117.07020	0.6
119.08574	1.3
119.29115	0.2
120.56162	0.3
121.10152	0.6
123.11703	0.3
129.07019	0.7
131.08592	1.1
133.10120	0.6
141.06961	0.3
143.08633	0.9
145.10124	1.2
147.11755	0.3
155.08571	0.7
157.10152	0.5
159.11690	0.5
169.10129	0.5
171.11716	0.6
173.13268	0.4
183.11754	0.3
185.13338	0.4
197.10750	0.3
198.11678	0.3
199.14964	0.6
207.11731	0.3
209.13243	0.3
211.08778	0.3
211.12378	0.3
211.14729	0.2
222.11655	0.3
223.12411	0.4
223.14848	0.3
237.13979	0.3
238.14713	0.3
251.15582	0.4
261.13904	0.3
274.33282	0.3
275.20084	0.4
291.70157	0.3
297.07031	0.3
375.16373	0.3
376.17081	0.6
377.17780	0.5
378.18741	0.3
388.18134	0.4
389.18323	0.7
390.18872	0.9
391.19189	1.5
392.20099	1.3
393.21323	0.3
400.16992	0.3
401.17740	0.6
402.18781	0.4
403.19672	0.8
404.20526	0.7
405.21088	2.3
406.21530	1.6
407.22418	2.9
413.17538	0.4
414.18518	0.5
415.19342	1.6
416.20081	0.4
417.16510	0.4
417.21368	0.5
418.17606	0.3
419.18628	1.1
419.22745	0.8
420.23151	0.7
421.23953	3.7
422.24817	0.7
427.19235	0.5
429.20932	1.6
430.21747	0.7
431.18881	1.1
432.19559	0.6
433.20233	1.1
433.24417	0.9
435.21964	0.7
442.21817	0.4
443.22415	0.8
444.23160	1.0
445.20358	1.0
446.20987	0.8
447.17160	1.8
448.18393	0.5
449.23547	1.0
451.21103	0.4
452.22086	0.7
457.23892	1.1
459.21857	2.0
460.23563	1.4
461.19211	5.0
462.20313	2.1
463.20795	1.2
465.23129	0.5
470.21323	0.5
471.18210	0.8
472.22595	0.7
473.19864	0.8
474.20645	0.7
475.21118	7.5
476.21890	5.0
477.22473	3.8
478.23676	0.5
479.24377	0.6
485.23727	5.1
486.20215	2.8
487.21350	1.1
488.21991	1.0
489.22882	4.6
493.22028	0.7
494.26904	0.7
497.23178	0.6
498.21222	0.3
499.21262	3.6
500.22293	1.7
502.23831	0.3
503.24573	6.4
504.21939	0.6
505.22174	0.8
506.23987	0.3
507.23907	0.9
511.37466	0.6
513.23077	0.8
515.24493	5.0
517.22351	2.3
521.26221	3.1
531.23956	8.9
533.25476	0.6
535.23798	0.6
541.22150	0.9
548.24866	0.4
549.24982	1.9
550.25830	4.5
559.23395	4.9
563.26190	1.4
577.24518	1.8
591.26074	10.2
591.44745	0.5
609.27094	100.0
609.44916	5.7
610.27344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.65127	0.6
52.38108	0.6
67.05495	0.7
69.21895	5.4
81.07066	1.1
91.05491	0.7
92.91450	0.6
124.82384	0.5
170.70277	0.7
237.13907	0.6
275.20084	0.8
361.87906	0.7
363.27020	0.6
377.17584	0.8
378.18634	0.7
390.18875	0.9
391.19229	2.0
392.20029	1.8
399.15756	0.9
404.20667	1.2
405.20795	4.0
406.21738	2.4
407.22607	3.3
414.18512	1.0
415.19232	2.3
419.22842	1.0
420.23242	1.0
421.23853	4.5
422.24744	0.9
427.19348	0.8
429.20929	3.2
430.21896	1.8
431.18652	1.3
432.19360	1.0
433.20340	1.4
433.24982	1.0
442.21762	0.7
444.23300	1.9
445.19809	1.0
447.18265	2.5
448.26785	0.6
449.23953	1.0
457.24509	2.8
459.21924	3.7
460.22913	1.4
461.19351	6.5
462.20279	3.2
463.21445	2.3
470.21591	1.2
472.22659	1.5
473.19141	1.0
474.20633	0.9
475.20953	8.8
476.21759	7.6
477.22479	4.1
478.23926	1.0
479.24747	0.9
485.23721	12.2
486.20398	4.1
487.25644	1.1
489.23145	5.8
494.26956	1.2
499.21204	2.3
500.22302	2.0
502.23813	1.3
503.24512	7.4
504.25034	1.0
513.22638	1.5
515.16919	1.3
515.24365	10.9
517.22375	0.8
521.25366	2.1
531.23987	16.0
548.24402	1.0
549.25116	2.1
550.25714	5.4
559.23499	7.4
577.24615	0.8
591.26099	30.5
609.27087	100.0
610.27692	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
61.77556	0.4
70.67842	1.3
78.85530	0.4
99.53652	0.4
106.94795	0.5
117.02183	0.4
140.77895	0.4
142.51318	0.4
197.07011	0.4
209.10733	0.5
230.74402	0.4
347.15829	0.4
387.16409	0.4
389.17780	1.1
401.18033	0.6
402.18619	0.8
403.19305	3.0
404.20169	1.3
405.20871	1.9
415.19534	0.6
416.20496	1.1
417.16376	1.0
417.21466	3.5
418.21710	1.8
419.22430	4.0
430.18008	1.4
431.18274	9.2
431.23468	0.5
432.19467	1.8
433.24234	7.4
434.24741	1.1
444.19028	0.6
445.19836	8.6
446.20840	4.2
447.21774	4.4
459.21475	4.9
460.22540	10.2
461.23386	11.2
473.23456	2.8
474.24219	1.2
477.22775	0.7
487.24985	1.7
489.22958	0.7
491.24811	0.9
505.21887	3.1
515.23987	0.6
519.24469	1.7
532.24658	0.7
546.23779	0.5
547.27094	27.1
548.27448	0.8
575.26349	1.1
579.30060	0.6
607.29175	100.0
608.29480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
69.28786	0.7
69.29199	2.4
81.88470	0.4
85.84512	0.3
93.25918	0.3
144.03029	0.3
167.21964	0.3
235.12183	0.3
387.15543	0.4
388.16678	0.7
389.17719	0.5
390.18604	0.4
402.18445	0.7
403.19150	2.6
404.19916	0.8
405.20743	1.0
415.19312	0.4
416.19968	1.1
417.21140	3.5
418.21591	1.9
419.22382	2.4
430.17230	0.7
430.22296	0.6
431.18204	6.3
431.23523	0.5
432.19193	1.4
432.23904	0.6
433.24060	9.8
434.24661	1.1
444.23785	0.5
445.19913	8.1
446.20721	3.9
447.21655	3.9
458.21011	0.6
459.21481	4.3
460.15741	0.5
460.22516	15.3
461.23367	18.1
472.23236	0.5
473.23502	4.2
474.24249	1.5
477.22763	0.5
487.24991	3.1
488.25998	0.6
492.25253	0.9
505.21841	3.2
515.24371	0.9
517.23163	0.4
518.23181	0.4
519.27313	2.3
532.24927	1.1
547.27051	63.9
548.27612	1.4
575.26465	1.4
578.25812	0.8
579.29517	1.2
607.29163	100.0
608.29553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87456	0.8
53.03941	1.8
55.01869	1.1
55.05272	1.2
55.05516	15.0
57.03439	2.1
57.07086	6.9
59.05001	11.8
65.03941	1.4
67.05509	27.7
69.03423	5.0
69.07072	47.4
69.98089	0.8
71.04999	3.2
71.08641	1.3
73.02920	1.4
77.08654	0.8
79.05495	18.6
80.23984	0.9
81.03414	4.1
81.07059	91.3
83.04997	1.5
83.08625	15.1
85.02917	5.2
85.06541	3.5
87.00809	1.8
91.05476	12.5
93.07048	50.9
95.04964	8.6
95.08611	100.0
97.02903	3.0
97.06529	10.4
97.10172	8.6
98.21529	2.2
99.04446	1.0
99.08105	2.5
101.35989	0.8
105.01833	1.6
105.07034	14.0
107.05006	1.3
107.08601	35.0
109.02875	1.0
109.06473	1.7
109.10162	50.3
111.08068	6.1
111.11725	10.8
117.07029	1.1
119.08587	11.8
121.06468	2.0
121.10149	36.9
123.08120	1.6
123.11706	37.0
125.09636	3.5
125.13244	1.1
125.42131	0.9
127.03909	2.8
131.08568	3.6
133.10138	9.8
135.11699	40.2
136.06125	2.3
137.09621	2.0
137.13263	39.0
139.11194	10.7
143.08501	0.9
145.10077	4.4
147.11694	10.5
149.09641	1.0
149.13264	39.3
151.11188	1.8
151.14827	2.2
153.12762	2.7
159.11699	9.3
161.13289	8.7
163.11218	1.0
163.14835	8.0
165.12782	1.9
165.16325	1.1
167.14308	2.4
173.13242	5.1
175.14864	7.9
177.12791	1.1
177.16367	5.3
177.65593	0.8
187.14795	6.4
189.16330	5.3
191.17946	2.0
201.16373	4.4
203.18059	1.1
205.19501	7.0
209.18976	1.1
215.17967	3.8
217.19485	1.3
219.21104	6.7
229.14349	1.1
229.19540	1.9
229.65739	1.5
231.21104	24.1
237.22098	1.1
245.22743	1.8
249.22182	6.9
259.24261	1.6
267.23294	1.8
271.24207	21.9
277.25299	8.7
289.25253	52.6
295.26367	7.8
307.26328	54.7
325.27383	21.8
341.43359	0.9
411.23703	3.6
415.28360	1.3
519.29358	3.5
537.30560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05514	1.6
58.06590	1.8
58.99601	4.0
67.05504	2.9
68.05013	1.1
69.03443	4.1
69.07049	2.3
70.06588	3.4
71.52426	1.3
72.08139	2.1
73.01140	4.8
73.02902	0.9
76.02220	1.1
79.05502	6.9
81.03419	3.7
81.07062	9.8
82.06577	1.5
83.04960	1.7
83.08633	1.1
84.04494	1.1
84.08134	1.4
85.02885	2.8
86.00659	13.2
86.06074	1.1
86.09698	1.9
86.99038	2.4
87.00829	0.9
88.02217	4.9
91.05489	7.5
93.07051	14.5
94.06514	0.9
94.16644	0.8
95.04966	2.3
95.08622	5.0
97.02875	1.2
97.06509	1.4
98.06060	1.2
99.02688	1.9
105.00080	1.3
105.01873	0.9
105.07041	9.7
107.08593	3.2
108.08113	3.4
109.02892	1.2
109.06501	1.6
109.10136	1.5
110.06044	4.1
111.08093	1.1
116.01656	2.5
117.06992	1.4
119.08598	15.3
120.08125	0.8
121.10155	25.3
122.02744	1.7
122.09698	1.0
123.08094	1.3
125.09656	5.3
126.03719	1.9
127.03902	2.0
128.06235	2.1
129.07008	1.2
131.08597	2.7
132.01169	18.9
132.08067	1.2
133.06551	1.3
133.10164	6.2
134.02716	1.8
137.09615	2.0
138.03693	1.0
138.05498	0.8
138.09157	1.0
140.05293	1.8
142.03236	2.1
143.08559	4.5
145.03174	2.9
145.08908	0.9
145.10106	1.3
146.02702	1.9
147.08002	1.1
147.11702	4.8
148.11186	1.5
149.09615	2.3
157.10115	1.7
159.11705	2.5
160.11183	3.2
161.09619	9.7
162.02206	1.6
162.05841	2.1
163.11143	1.1
165.07388	0.8
168.04805	4.2
172.04236	0.9
175.11209	1.8
178.12282	2.1
186.05904	2.3
188.03801	1.0
188.07397	1.8
189.16359	2.1
190.05290	1.1
192.08260	0.8
196.04247	8.1
199.14842	1.1
214.05344	10.1
217.15916	13.2
218.10063	1.2
222.68495	0.8
235.17101	1.3
236.10989	3.0
242.08334	0.8
244.10086	0.9
252.10545	8.1
264.10605	4.3
269.56671	0.9
282.11575	13.0
292.17291	2.3
320.16757	2.1
338.17865	100.0
339.18277	1.1
356.18933	28.0
518.23999	1.4
586.23053	1.7
604.24255	22.6
624.87006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4779
Annotation	Goniodenin
Peak:m/z	Relative Intensity
53.03954	3.5
55.01868	7.2
55.05518	36.4
57.03438	11.2
57.07080	24.6
65.60532	2.2
67.05508	36.9
69.07074	36.5
71.08637	33.0
79.05495	26.4
79.10320	2.3
81.03435	4.0
81.07065	41.8
83.04987	5.9
83.08624	26.8
85.10194	6.4
91.05482	22.8
93.07049	35.0
95.04973	7.0
95.08615	35.9
97.06545	7.0
97.10170	21.9
99.08097	11.7
105.07039	15.3
107.04951	4.8
107.08598	19.2
109.06510	3.1
109.10128	11.8
109.17733	2.8
111.08105	2.9
111.11740	3.9
117.07042	3.3
119.08577	13.5
120.53423	2.4
121.06476	2.9
121.10146	16.1
122.15410	2.4
131.08615	3.3
133.10129	9.4
134.93863	2.2
135.11691	18.9
136.55220	2.4
137.09657	3.0
145.10147	4.6
149.09605	2.6
149.13281	7.2
151.11169	9.6
161.13261	6.4
173.72330	2.3
179.14307	37.4
230.07425	2.3
237.22125	4.6
239.23772	2.6
275.20154	13.0
277.21649	19.8
293.21088	35.7
311.25827	48.8
313.27402	6.8
349.23868	3.4
351.25385	10.4
489.40134	2.4
554.43793	2.5
587.46722	100.0
605.48022	31.9
615.80127	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.93512	0.3
61.04100	0.3
70.77020	0.8
72.84563	0.3
87.28867	0.3
140.44400	0.4
213.30244	0.3
221.10820	0.4
343.16867	0.3
374.15381	0.4
375.16248	0.6
376.17258	0.4
386.16467	0.4
388.17123	0.7
389.17807	2.9
390.18637	1.1
391.19379	1.0
401.18118	0.6
402.14221	0.6
402.18677	1.0
403.14853	0.5
403.19543	3.9
404.20187	1.7
405.20782	3.6
415.19717	0.4
416.16190	1.0
417.16385	4.4
417.21191	1.2
418.17148	0.6
418.21548	1.1
419.22437	6.1
420.23193	0.7
424.41006	0.4
429.17169	0.4
430.17996	1.0
431.18375	7.9
432.19147	2.9
433.20062	3.3
435.21759	0.7
443.18750	0.5
444.19864	0.6
445.20108	5.2
446.21075	7.6
447.21786	6.3
447.26813	0.5
459.17902	1.1
459.22757	0.7
461.19653	1.9
462.24304	0.4
463.20569	0.6
473.23471	1.2
474.20453	4.6
475.21008	4.4
477.23355	0.5
478.23602	0.6
487.21542	1.7
488.22137	0.4
490.24194	0.6
491.20288	3.0
501.22934	1.3
505.22443	0.7
507.65384	0.4
519.24060	17.7
520.24139	0.5
547.23438	12.6
551.26538	0.7
561.25861	0.4
579.26044	6.5
579.34674	0.2
607.25543	100.0
608.25641	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41186	2.6
50.48039	2.8
53.03934	9.4
55.01880	14.1
55.05515	77.3
57.03447	17.1
57.07081	51.9
57.70891	2.8
67.04864	3.3
67.05510	73.9
69.02975	2.7
69.03439	6.1
69.07075	68.6
71.04997	5.7
71.08635	46.3
71.23582	7.1
73.48016	2.9
79.05500	58.4
81.03388	3.8
81.07066	95.8
83.04987	6.9
83.08621	62.2
85.06551	4.4
85.10182	15.1
91.05489	94.3
93.07049	63.8
95.04965	15.2
95.08605	61.2
97.06538	13.7
97.10173	35.0
99.08108	10.5
103.05505	4.9
105.04549	4.2
105.07041	69.9
107.04984	8.6
107.08601	35.6
109.06515	12.8
109.10178	31.0
111.08080	8.3
111.11710	7.9
115.05466	11.8
116.06255	9.6
117.07033	50.0
119.08589	41.5
121.06517	8.4
121.10156	19.8
123.08111	7.5
123.11677	5.0
125.09620	10.8
128.06210	31.0
129.07024	32.2
130.07791	15.9
131.08571	90.6
133.06511	6.7
133.10129	27.8
135.08075	8.3
135.11691	11.5
137.09631	6.3
141.07040	14.1
142.07762	6.9
143.08572	98.7
145.06575	4.1
145.10132	100.0
147.08058	11.0
147.11693	12.7
149.09615	14.3
149.13290	7.7
151.11124	4.1
155.08582	10.2
157.10144	32.0
159.08049	5.6
159.11723	26.2
160.60690	2.8
161.09621	9.1
161.13356	3.4
162.72527	3.5
162.73911	2.9
163.11197	8.3
165.12691	3.9
167.08624	4.3
169.10115	19.0
171.11705	24.6
173.09702	3.4
173.13261	5.9
175.11162	7.6
177.12816	7.3
181.10121	13.0
183.11731	12.3
185.13298	12.7
195.11726	24.2
201.12769	4.9
203.14284	4.8
213.12804	3.6
219.17503	3.3
227.12820	5.6
227.17912	8.8
237.16400	26.8
237.22194	13.6
239.23615	3.5
241.14349	3.5
245.19121	5.1
255.17401	24.1
257.18906	7.4
257.24835	3.5
273.18530	73.0
275.20035	31.8
291.19586	11.7
293.21136	47.0
311.25806	37.4
313.27362	83.6
329.21103	5.1
331.22693	5.0
347.22122	25.2
349.23660	22.1
456.96878	3.1
461.02286	3.6
491.37277	10.7
505.38800	11.2
574.19348	4.5
585.45172	58.5
597.65820	3.4
603.46124	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	26.5
57.07081	27.4
67.05511	65.8
69.07073	25.6
69.26529	3.4
69.51128	4.0
71.04994	4.1
71.05925	3.6
71.08642	24.5
79.05511	23.5
81.03426	38.1
81.07057	47.2
83.08630	27.6
85.06532	7.1
85.10178	11.2
91.05481	23.3
93.07055	23.7
95.04976	18.4
95.08608	41.5
97.06553	5.6
97.10165	10.2
98.21564	7.3
105.07033	16.3
107.04971	4.2
107.08606	16.5
109.06555	4.5
109.10168	38.3
111.08060	3.7
112.99973	3.9
117.06973	4.8
118.49568	3.8
119.08587	12.4
121.10130	14.3
123.08073	6.8
123.11686	3.9
125.09541	3.5
129.06953	5.5
131.08565	8.7
133.10143	13.2
135.08044	3.9
135.11684	4.7
137.09668	6.2
145.10181	6.3
147.07991	4.8
147.11719	6.3
149.09636	5.4
155.01089	8.4
155.10617	4.0
157.10103	5.5
158.52911	3.5
159.11713	4.0
175.11151	4.3
193.12219	23.5
236.00070	3.3
239.23878	7.2
273.18478	7.2
275.20245	8.5
291.19339	5.6
302.40985	4.3
311.25763	7.6
313.27356	8.2
319.69983	3.6
331.26300	7.0
370.52921	3.4
407.23120	4.4
491.37381	55.5
505.38919	100.0
532.07611	4.2
585.45062	5.1
603.46088	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01862	8.9
55.05517	60.9
56.22105	2.1
57.03426	9.0
57.07075	16.1
65.03951	3.1
66.57313	2.2
67.05513	38.0
69.03419	3.1
69.07072	54.1
71.05011	3.5
71.08619	8.5
71.26318	3.4
71.26667	2.3
79.05499	37.5
81.07065	49.0
83.04968	5.7
83.08154	3.2
83.08627	42.9
85.06526	5.0
85.10178	3.2
88.74396	1.9
89.06020	3.3
91.05488	62.8
93.07050	35.6
95.04962	7.9
95.08617	33.2
97.06519	8.1
97.10178	31.4
98.72209	2.1
99.08076	2.3
105.07041	49.7
107.04933	6.8
107.08585	22.0
109.06535	10.2
109.10165	11.7
111.08083	4.9
111.11700	5.5
115.05466	4.5
115.91778	2.3
116.06197	5.5
117.07022	32.0
119.07788	4.2
119.08583	33.6
121.06487	4.9
121.10150	16.1
123.08059	4.0
123.11675	3.2
125.09642	3.6
128.06227	20.9
129.07028	23.3
130.07779	8.5
131.08569	64.3
133.06485	6.7
133.10143	19.2
135.08032	7.0
135.11676	10.0
137.09552	3.2
139.11201	3.4
141.06999	11.5
142.07785	6.2
143.08569	66.9
143.09708	3.3
145.10129	62.9
147.08090	9.9
147.11696	7.1
149.09628	4.5
149.13264	5.4
151.07556	3.1
155.08533	9.4
157.10135	15.0
158.07181	2.3
159.08032	4.9
159.11690	17.2
161.09590	11.7
161.13228	2.8
163.11171	4.2
165.12749	2.7
167.08562	2.9
169.10138	16.0
171.11722	15.6
173.09608	3.9
173.13235	3.2
175.11244	2.5
177.12770	4.3
181.10095	9.4
183.11720	8.2
185.13243	7.5
189.12726	2.8
195.11711	17.9
197.13174	2.6
199.14685	2.8
209.13324	2.7
211.14861	3.4
213.12715	5.0
215.14276	2.6
227.17911	6.2
237.16414	15.3
237.22191	4.8
241.14395	3.3
245.19044	5.4
255.17426	17.8
273.18542	48.4
291.19534	11.9
311.25842	100.0
329.21014	9.4
347.22256	23.1
488.41434	2.6
489.35236	4.0
511.05936	2.3
583.34174	2.3
583.43591	41.2
601.44214	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	3.8
58.06603	2.0
58.09949	0.7
64.80427	0.5
65.03938	0.7
67.05507	2.1
69.59613	3.0
70.06599	16.9
70.43324	0.5
71.08631	3.2
72.08163	0.6
73.74432	0.6
79.05484	1.3
81.03432	1.3
81.07075	1.1
88.07639	17.8
91.05504	0.9
93.07052	1.1
98.21443	0.7
102.09183	12.0
105.07102	0.5
107.08584	0.9
109.10164	0.7
110.10497	0.6
117.06941	0.5
133.10133	0.7
136.06236	0.7
140.75815	0.5
149.02357	31.5
149.03308	1.1
163.03944	0.6
175.03917	0.9
177.05486	1.0
182.19196	0.5
191.07214	0.6
193.04976	38.9
200.20113	43.3
212.16644	0.5
219.06641	1.4
225.05598	1.0
237.07584	10.9
244.22757	0.8
258.17035	1.1
297.04144	1.9
313.07141	2.1
341.06592	7.9
359.07590	6.0
385.09180	17.6
429.11832	24.3
579.59705	0.6
584.28949	1.6
602.29639	100.0
603.30170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03954	1.5
53.12105	0.7
55.01878	2.2
55.02383	0.7
55.05519	8.3
56.05040	1.7
57.07082	1.3
58.99591	9.8
61.01146	1.0
65.03940	1.1
65.24070	0.9
67.05510	18.8
69.07077	11.5
69.15676	1.6
69.16096	6.1
70.02958	0.8
70.06588	1.1
71.04991	1.7
74.00677	6.2
76.01844	1.1
76.02238	17.0
76.04013	2.4
79.05500	25.8
80.05024	1.0
81.06597	1.4
81.07065	24.6
83.04972	2.0
83.06103	1.8
83.08629	6.2
84.04049	1.1
84.04508	12.8
84.08154	0.8
85.02885	1.0
85.04015	1.0
85.06535	1.7
86.99055	4.7
88.02215	2.7
91.05490	17.2
91.71066	0.6
93.07053	40.2
95.04976	2.8
95.08619	19.0
97.01131	1.2
97.06525	2.3
97.10161	2.6
98.21525	1.4
99.05573	2.1
105.07046	14.5
107.08605	27.9
109.06529	2.7
109.07569	1.0
109.10171	7.0
111.02683	1.5
111.08079	1.9
112.03951	1.0
114.03742	1.0
116.00903	1.3
116.01689	22.2
117.07040	6.0
119.08582	10.0
121.06539	0.8
121.10151	18.2
123.08072	2.4
123.11697	2.4
125.04234	1.4
125.09650	1.1
129.06735	3.4
130.05016	5.6
131.08588	6.7
133.10153	8.9
135.08122	1.0
135.11710	21.4
137.04185	1.8
137.13248	0.9
142.03247	5.8
143.08565	3.4
144.01138	11.1
145.06071	2.8
145.10139	7.3
147.11703	10.7
149.09659	1.7
149.13280	14.8
153.06560	1.2
157.10092	3.9
159.11699	4.2
161.13252	6.0
162.02216	42.1
163.11162	1.9
163.14833	3.3
170.02773	1.7
171.11716	4.5
173.13310	4.7
175.14803	2.5
177.03401	1.8
177.07373	1.0
177.12798	1.1
179.04878	17.6
180.05354	0.7
181.06018	0.8
181.10503	0.7
181.12173	1.3
185.03769	1.6
185.13234	3.0
187.05412	1.0
187.14760	1.0
189.12624	1.2
195.11916	0.9
195.13768	1.3
199.07121	1.0
199.14848	2.0
203.14374	1.0
207.13843	3.1
208.64198	0.7
213.16328	1.9
217.16045	1.1
221.15416	2.7
224.16591	2.5
231.04382	1.2
231.17484	1.0
233.05898	2.6
235.17014	2.5
239.17924	1.2
241.19505	2.5
245.05899	3.2
259.20526	9.1
275.20032	3.2
277.21652	100.0
289.16177	1.3
291.17825	3.0
295.22714	3.1
307.17303	2.9
308.09073	4.8
309.18985	4.8
334.22076	2.3
335.20416	2.2
352.23300	6.0
353.21625	0.8
362.21411	1.0
370.24161	23.6
380.22733	1.5
420.21930	1.7
438.23160	6.4
455.25763	18.8
456.24295	6.2
473.26862	40.7
509.26752	1.6
527.28064	11.2
584.29913	4.8
602.22150	1.3
602.31128	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.08463	2.6
53.25684	2.6
55.01870	3.4
55.05510	12.4
57.07070	9.2
59.05009	2.5
65.03954	2.3
67.05501	19.5
67.15916	2.2
68.13023	2.5
69.03421	8.1
69.07061	12.3
69.70850	2.2
70.11349	10.2
72.76658	2.2
79.05499	16.9
81.03411	3.9
81.07061	25.1
83.04994	3.2
83.08620	7.7
85.06561	5.5
89.06042	4.1
91.05487	23.2
93.07053	35.6
95.04975	7.8
95.08610	24.7
97.06543	6.0
105.04558	2.6
105.07035	34.6
107.08593	20.5
109.06523	9.2
109.10157	12.5
111.08079	4.2
111.33156	2.3
117.07024	7.2
119.08588	48.5
121.06476	6.0
121.10168	22.2
123.08081	15.4
123.11723	4.7
125.06047	2.7
125.09634	3.7
128.06219	5.5
129.07011	10.6
130.07768	2.7
131.08591	16.6
133.10150	22.0
134.10461	3.2
135.08044	10.3
135.11696	6.6
137.09619	10.0
141.06920	3.2
142.07777	8.7
143.08574	11.0
144.09329	3.3
145.10133	32.8
146.10472	5.2
147.08038	20.5
147.11699	8.0
149.09595	6.3
151.07541	7.7
155.08562	9.6
156.09308	4.5
157.10146	18.1
158.10841	4.2
159.11722	18.1
160.08879	2.8
161.09598	5.9
161.13257	6.5
163.11104	3.9
165.07037	3.4
165.09108	40.3
167.08595	4.1
167.76648	2.6
169.10117	10.7
170.10678	2.4
171.11725	15.5
173.13306	9.1
175.11154	4.2
181.10118	6.5
181.12221	7.1
183.11719	9.1
184.12192	3.0
185.13255	9.9
186.13625	4.6
187.11079	3.4
187.14851	5.5
193.10063	2.5
194.10876	4.5
195.11700	9.1
197.11612	2.7
197.13281	9.8
199.14857	4.9
201.12602	2.7
203.14310	11.5
207.04472	2.3
207.11725	5.4
207.13747	4.4
209.13319	4.5
210.13701	2.5
211.14845	3.3
213.16426	4.7
219.13892	2.9
220.12320	2.5
221.13438	3.5
221.15370	100.0
222.15746	8.1
223.14748	3.6
225.16379	5.6
234.16129	2.4
235.14757	2.8
249.82263	2.5
287.19977	5.4
299.19943	4.8
325.21643	2.8
326.22086	3.0
352.24057	6.2
353.24365	4.9
367.26395	3.5
401.80432	2.8
411.16324	2.5
442.37030	3.3
455.31189	2.9
491.35101	7.6
503.37598	5.5
509.35269	3.4
521.35760	18.0
583.41107	12.0
601.42303	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.8
53.03935	11.1
55.05313	2.1
55.05514	22.4
57.07077	19.1
59.04992	3.0
65.03903	4.9
67.05505	35.2
69.03443	13.6
69.07070	25.8
69.61081	4.7
69.61492	10.6
71.04989	4.6
71.08614	7.3
74.26501	2.4
79.05495	39.5
81.03425	31.4
81.07056	51.4
82.07366	3.3
83.04974	17.6
83.08620	17.7
85.02906	2.7
85.06535	5.8
85.10187	4.9
87.04427	3.4
89.06017	4.7
91.05488	54.3
92.05820	4.8
93.07048	80.7
94.07369	5.0
95.04971	23.6
95.08610	45.9
96.08964	4.1
97.06533	15.2
97.10191	3.2
98.20779	5.1
103.05431	6.0
105.04523	3.1
105.07037	100.0
106.07338	9.3
107.04895	2.6
107.07885	3.9
107.08595	69.9
108.08906	2.8
109.06532	22.0
109.10151	35.1
111.08058	5.2
113.09663	3.3
115.05449	11.3
117.07024	22.4
119.04899	3.0
119.08585	82.9
120.08891	4.8
121.06512	12.4
121.09341	4.4
121.10151	76.7
122.10423	3.3
123.08073	17.0
123.11691	6.6
125.06026	2.9
125.09634	13.5
128.06238	14.6
129.07007	21.8
130.07768	9.1
131.07735	3.5
131.08578	42.5
132.08980	4.3
133.06459	8.7
133.10136	56.8
135.08081	21.9
135.11702	22.7
137.09598	11.0
139.11198	5.4
141.06979	8.2
142.07794	22.1
143.08589	42.9
144.09192	9.8
145.10130	73.2
146.10474	8.0
147.08099	13.5
147.11717	20.2
149.09621	14.7
149.13292	4.7
151.07524	7.2
151.11212	2.8
153.06989	3.0
155.08560	18.1
155.10677	5.4
156.09378	14.2
157.06544	3.0
157.10129	52.1
158.10596	9.6
159.08075	17.0
159.11711	39.3
160.05180	8.6
160.08702	3.5
160.12009	5.8
161.05957	7.9
161.09641	22.2
161.13235	11.4
163.11191	9.3
165.07004	5.4
165.09137	14.1
166.07658	2.9
167.08542	9.1
167.10690	45.3
168.09283	9.1
169.10149	27.9
170.10788	10.6
171.08170	3.5
171.11702	39.6
172.12201	7.6
173.05975	9.2
173.09605	7.9
173.13261	20.4
174.13628	3.4
175.11176	15.3
175.14819	15.4
179.08578	13.1
180.09264	4.8
181.10092	18.7
181.12215	4.9
182.10838	11.2
183.11736	22.7
184.12321	8.0
185.09554	3.7
185.13246	21.7
186.13683	5.2
187.07448	4.7
187.11195	8.3
187.14777	10.3
189.12689	9.9
191.08714	2.9
191.14275	5.1
192.09319	3.8
193.10130	9.9
194.10887	10.1
195.11668	22.9
196.12219	5.9
197.13255	23.2
198.13733	7.1
199.11058	5.3
199.14828	15.5
200.15218	4.2
201.12721	5.9
201.16379	6.8
203.10597	4.1
203.14304	8.0
205.10138	5.9
206.10844	5.0
207.11676	16.7
207.13611	4.5
208.12355	11.0
209.13225	23.0
209.15004	4.1
210.13776	7.5
211.11230	3.6
211.14792	17.5
212.15288	3.1
213.12810	6.1
213.16318	5.8
214.13235	2.9
215.14351	6.1
217.15895	4.2
219.11742	5.1
220.12320	4.3
221.13206	15.4
221.15356	31.2
222.13794	4.8
222.15768	3.9
223.14801	13.1
224.15126	6.2
225.12727	6.1
225.16354	8.9
227.14267	5.1
227.18015	2.7
229.15904	3.3
231.06749	2.6
231.11662	6.5
231.17491	3.5
232.12317	5.3
233.13231	5.6
233.15366	24.0
234.15924	4.1
235.14879	11.4
236.15257	4.1
237.16451	4.9
239.17830	3.6
243.13823	4.1
245.13161	4.8
246.13968	3.6
247.14670	4.7
248.15424	3.0
249.16528	4.2
250.16757	3.5
251.17860	3.4
253.15787	3.1
253.19496	3.6
255.17439	6.9
256.17831	5.4
257.18979	2.9
259.14752	4.5
260.15558	4.7
261.16391	5.8
262.16959	3.2
263.17944	6.6
264.18280	3.7
265.19464	4.2
267.17099	2.6
269.18997	10.3
270.19296	6.4
271.13339	17.0
271.20319	5.2
273.18665	4.5
277.19440	4.2
279.17371	4.4
279.21155	2.6
281.18945	3.8
282.19507	2.7
285.18478	3.0
286.19351	3.0
287.20389	3.9
289.14319	6.6
289.19354	3.8
299.20145	7.3
311.20197	3.5
313.27271	10.8
345.16891	9.2
353.24161	2.8
366.24771	4.6
491.34830	3.6
503.37256	5.0
521.36353	3.9
565.40540	4.8
583.41022	15.9
601.41333	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.01869	3.1
55.05511	22.9
56.05843	2.0
57.03421	2.4
57.07082	12.3
59.04992	4.6
60.58535	1.3
61.86654	1.5
65.03927	6.2
67.05503	33.8
68.51741	1.5
69.03436	12.2
69.07071	26.5
69.92712	3.9
69.93127	4.2
70.41187	1.4
71.04979	5.5
71.08623	4.8
79.05493	36.4
80.05821	1.8
81.03426	11.5
81.07062	51.1
82.07381	2.4
83.04987	20.8
83.08618	18.6
84.08942	2.6
85.02905	1.9
85.06554	5.4
85.10164	1.9
86.89693	1.5
87.04452	4.9
89.06015	7.8
91.04910	3.2
91.05482	65.3
92.05795	1.8
93.07045	85.5
93.99621	1.6
94.07371	3.4
95.04967	25.6
95.08611	42.9
96.05311	1.6
96.08921	2.7
97.06535	17.0
97.10159	3.1
98.21354	2.4
103.05463	5.6
104.06297	1.7
105.04498	4.6
105.07032	100.0
106.07356	5.0
107.04951	4.0
107.08599	75.8
108.08930	7.2
108.78865	1.7
109.06522	18.7
109.09477	3.1
109.10159	35.0
111.08075	5.3
111.11747	1.9
113.09618	5.8
114.13575	1.6
115.05466	12.8
116.06216	2.6
117.07026	23.6
118.07366	2.4
119.04966	1.9
119.08589	96.5
120.08894	5.9
121.06516	11.2
121.10149	83.6
122.10468	7.3
123.08080	19.3
123.11724	10.2
124.08365	1.7
125.06009	3.9
125.09624	12.3
128.06236	14.3
129.07031	17.8
130.07861	9.7
131.08572	53.8
131.46790	1.5
132.08942	2.7
133.06509	7.6
133.07506	1.5
133.08559	4.5
133.10136	62.6
134.10516	4.7
135.08057	18.3
135.11699	21.1
137.09634	10.5
137.13261	1.9
139.11160	6.9
141.07034	11.6
142.07797	27.6
143.08575	47.3
144.09389	11.2
145.06459	4.5
145.10132	72.3
146.10428	7.4
147.08072	12.4
147.11702	26.0
148.08395	1.9
148.12048	3.4
149.09622	18.3
149.13248	4.5
150.10002	1.9
151.07556	5.2
151.11133	3.7
153.06999	4.1
154.07744	6.2
155.08568	22.4
155.10658	7.1
156.09349	23.0
157.10135	63.7
158.10710	13.0
159.08083	17.0
159.11702	44.3
160.05215	1.9
160.08586	3.2
160.12057	5.0
161.05978	2.9
161.09642	16.9
161.13249	10.1
162.10016	1.9
163.11191	12.0
165.07010	6.1
165.09119	11.1
166.07732	2.6
167.08624	8.1
167.10684	55.7
168.09334	8.9
168.10693	1.5
169.10130	34.1
170.10814	9.1
171.08002	2.5
171.11694	38.5
172.12158	7.4
173.05963	4.0
173.09651	8.7
173.13287	23.0
174.10300	2.3
174.13625	2.0
175.11215	10.3
175.14821	15.8
176.11606	1.9
177.11243	3.1
177.12624	2.9
178.07819	3.4
179.08568	11.5
180.09187	8.5
181.10100	17.9
181.12213	5.6
182.10869	12.1
183.11703	29.8
184.12210	6.0
185.09700	2.9
185.13261	20.8
186.13646	3.3
187.11237	8.6
187.14801	12.7
189.12746	8.5
190.13544	2.5
191.08551	3.3
191.14317	4.4
192.09261	3.9
193.10127	14.0
193.12016	3.3
194.10913	11.8
195.11707	25.7
196.12274	10.5
197.09584	3.7
197.13280	28.5
198.13719	4.7
199.11197	4.3
199.14842	13.3
200.11716	2.5
200.15187	2.8
201.12740	6.6
201.16383	4.8
203.14342	8.3
205.10086	3.8
206.10867	7.4
207.11780	15.7
207.13670	2.4
208.12404	9.0
209.13260	28.7
209.15219	2.5
210.13879	8.3
211.11179	4.4
211.14813	18.5
212.11810	3.1
212.15317	4.2
213.12776	9.1
213.16385	4.6
214.13144	2.0
215.14439	8.3
216.14719	2.6
217.10168	3.7
217.15822	4.7
218.10835	1.9
218.16592	1.7
219.11662	6.5
219.13646	2.5
219.17369	3.4
220.12440	5.5
221.13222	14.5
221.15384	20.7
222.13867	5.9
223.11415	1.6
223.14745	15.8
224.15262	3.4
225.12712	6.2
225.16370	10.8
226.16748	3.4
227.14259	5.6
227.17891	2.8
229.15842	3.7
231.11682	3.8
231.17451	2.3
232.12401	3.1
233.13141	8.5
233.15369	32.5
234.13802	3.7
234.15892	4.9
235.14777	12.8
235.16870	3.1
236.15388	4.0
237.16339	9.5
238.16852	2.9
239.14317	3.5
239.18033	3.3
241.15894	4.1
243.11662	3.4
243.13988	2.1
245.13168	5.8
246.13922	3.8
247.14752	6.7
247.16959	2.9
248.15379	3.8
249.16350	5.4
250.16910	2.8
251.17966	8.0
253.15898	4.7
253.19481	3.1
255.17413	9.7
256.17807	5.9
258.13779	3.5
259.14746	3.9
261.16431	6.2
262.16907	3.1
263.17877	5.9
264.18445	2.8
265.19519	6.8
267.17337	3.5
269.19037	8.7
271.13177	2.9
271.20181	2.4
273.16132	3.9
273.18613	4.3
275.17715	3.7
275.20413	2.3
277.19370	4.8
281.18936	5.6
283.20526	5.6
285.18625	4.9
286.08728	1.6
286.19165	1.9
287.20380	2.9
289.19601	2.3
290.20047	2.2
294.19510	2.4
295.20535	6.0
297.18887	1.9
297.21933	3.2
299.20050	4.3
309.21906	2.0
313.21945	2.3
313.27310	4.4
315.21027	2.0
325.21881	3.1
325.25836	2.1
347.23923	2.2
349.25226	3.9
352.23685	1.9
361.25217	2.0
365.24915	3.2
366.25220	2.0
367.26038	1.9
373.25021	2.4
375.27484	2.4
378.25400	1.8
379.26288	2.1
384.26010	2.3
416.25888	2.2
491.34811	3.4
503.37064	2.7
565.40173	6.8
568.38440	1.8
583.41626	11.9
601.41437	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	601.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54687	3.7
56.96568	20.6
61.38654	3.0
70.98116	5.5
71.51840	5.0
72.34469	3.0
81.93307	3.2
82.99883	3.1
91.84604	3.5
97.02898	4.1
98.97572	16.0
101.00892	12.6
110.97575	7.7
113.00904	4.2
115.02454	4.6
117.44125	3.1
119.01910	19.2
127.02460	4.1
128.98640	15.3
131.00157	3.9
131.01874	9.8
133.03458	13.9
135.04451	3.8
137.02850	3.2
140.98627	12.1
143.00064	3.3
143.01907	21.4
145.03479	10.7
146.99644	13.8
147.01332	3.7
147.04433	5.0
149.01326	3.7
149.02951	6.7
154.96587	4.0
155.01886	13.9
157.03482	9.2
158.99683	26.0
161.02946	22.3
163.03911	7.6
165.00771	5.9
167.01936	13.7
169.03485	4.4
170.99838	3.9
171.01352	16.6
172.97578	9.8
173.02989	23.9
175.04562	5.2
177.00681	16.9
179.01958	7.5
183.01270	3.2
185.02982	39.4
186.99188	4.2
187.04521	4.6
189.00887	5.0
189.02466	27.1
190.98703	6.8
191.04008	6.0
197.02989	14.6
199.00858	8.8
201.00722	4.8
201.02428	6.7
202.98737	7.0
203.03964	13.2
204.05351	3.8
205.00272	18.5
207.03648	3.4
208.99800	5.8
212.04074	4.1
215.04024	13.5
217.01947	10.0
218.98178	3.9
219.01694	4.6
220.99680	10.3
221.04962	4.0
223.01247	11.3
227.04034	12.7
229.02034	4.2
231.03502	23.7
232.99767	6.6
237.02771	9.5
243.03296	4.6
244.99637	11.7
245.05090	100.0
247.01221	5.3
249.04651	8.7
251.00833	6.2
255.03845	4.7
257.05261	8.1
259.03061	12.2
261.04694	4.4
261.07672	3.2
263.06284	15.2
265.15588	4.7
273.04633	11.6
275.00787	7.3
275.06140	17.9
277.04120	7.2
289.04019	7.2
291.05740	4.9
303.05646	10.8
305.07150	17.6
319.05197	6.3
323.13736	4.0
333.01199	5.7
333.06738	9.5
335.02838	4.8
335.08093	6.6
349.10562	13.7
351.07855	6.0
361.00766	28.4
361.06125	16.6
365.03928	30.6
365.09326	22.1
379.01953	4.5
379.07184	11.4
379.95810	3.6
395.04340	3.9
421.02942	4.6
455.11127	6.3
497.04916	4.3
513.12842	18.2
541.12811	25.2
601.21588	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08501	2.3
53.03946	4.8
55.05513	39.5
55.89177	2.2
57.03438	15.3
57.07083	16.4
59.04990	5.8
67.05511	73.4
69.03426	2.9
69.06728	4.2
69.07072	40.7
69.74805	8.0
69.75218	5.3
71.05000	5.8
71.08627	8.1
74.84138	2.4
79.05494	19.6
81.03429	11.1
81.06653	3.3
81.07063	34.2
83.04989	5.2
83.08169	2.4
83.08628	33.9
85.02898	3.5
85.06552	5.5
85.10189	6.0
87.04438	2.5
89.06016	11.4
91.05490	26.5
93.07048	21.0
95.04978	11.7
95.08617	24.9
96.08921	3.4
97.02892	2.6
97.06533	5.5
97.10186	19.7
98.21297	6.9
98.77902	2.2
105.07031	17.5
107.04956	8.1
107.08613	14.6
109.06526	9.3
109.10159	55.0
111.08115	5.3
111.11749	4.9
115.05511	2.4
117.07010	7.4
117.29658	2.1
119.08607	19.0
121.06517	13.1
121.10146	10.4
123.08089	5.2
123.11752	2.7
125.09608	2.6
129.06990	2.2
131.08582	13.0
133.08612	6.7
133.10129	7.6
135.11667	6.5
137.09630	5.6
141.06996	3.9
143.08572	5.8
145.10092	12.8
147.08130	3.5
147.11685	3.8
149.13266	5.3
155.10670	5.6
157.10141	4.5
159.11736	11.4
161.09642	2.9
163.11215	4.2
165.09145	4.3
169.10130	8.1
171.11693	4.2
173.09639	3.8
173.11812	12.9
173.13123	3.4
177.11362	3.1
177.12817	3.6
179.10631	3.2
187.11191	8.8
193.12244	3.0
201.12744	2.7
203.14403	3.0
205.12218	7.3
221.15381	9.2
223.13298	18.4
229.14343	66.9
247.16905	3.6
265.88809	2.3
274.19370	2.8
279.16122	4.6
297.16956	47.9
311.25815	100.0
331.61240	2.4
352.23880	4.8
375.84845	2.6
415.26028	2.9
440.29199	3.8
465.35760	55.7
501.32870	2.4
520.35767	4.7
533.38391	24.8
600.41748	5.4
600.56335	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.1
53.03939	4.5
55.05515	13.0
57.07070	11.5
57.10948	2.6
59.05001	6.2
61.92779	2.5
62.25622	2.5
65.03938	5.2
67.05511	27.9
69.03422	11.7
69.07078	12.8
70.81228	3.3
70.81564	6.0
71.02006	2.7
71.04977	2.6
78.04699	3.3
79.05498	31.0
81.07056	33.8
83.04984	15.2
83.08619	9.4
85.06531	7.7
91.05480	42.4
93.07048	68.3
93.07618	2.8
95.04990	16.8
95.08618	32.0
97.06519	5.3
103.05457	6.1
105.07041	84.4
107.04958	7.0
107.08596	52.6
107.67998	2.9
109.06516	21.5
109.10145	19.8
111.08089	5.4
115.05450	4.0
117.07030	20.9
119.08588	76.0
120.09363	4.3
121.06509	10.8
121.10152	49.2
123.08060	31.1
125.06008	3.4
125.09650	10.0
128.06229	12.4
129.06989	25.2
130.07817	9.4
131.08583	42.0
133.06497	9.6
133.10135	45.0
135.08063	25.6
135.11705	12.8
137.05980	3.6
137.09601	13.2
139.07555	7.4
141.06985	11.6
142.07785	24.6
143.08569	50.8
144.09377	14.8
145.06499	3.8
145.10135	61.3
147.08058	34.2
147.11711	14.6
149.09659	20.9
151.07542	21.6
153.07014	4.5
155.08557	20.9
156.09358	18.8
157.10133	76.2
158.10930	8.7
159.08081	14.1
159.11685	34.6
160.08868	3.6
161.09619	21.0
161.13293	6.2
162.10312	3.6
163.11192	20.5
165.06998	6.2
165.09117	45.1
167.08542	5.7
167.10701	10.0
168.09407	7.4
169.10103	21.4
170.10907	11.3
171.11696	32.8
172.12444	7.8
173.09647	17.2
173.13246	16.9
175.11185	23.6
175.14832	6.5
177.09151	4.7
177.12781	4.7
178.09833	4.0
179.08592	8.0
179.10597	3.6
180.09299	5.9
180.11458	5.0
181.10136	13.8
181.12273	12.5
182.10939	10.5
183.11700	20.3
184.12459	4.3
185.09702	5.0
185.13242	23.4
186.13847	3.9
187.11180	10.9
187.14856	4.3
188.11882	3.0
189.12769	12.0
190.13589	12.1
191.14302	5.7
192.09267	3.5
193.10165	14.9
193.12271	10.2
194.10904	6.7
195.11743	22.9
196.12448	7.7
197.09686	4.3
197.11659	5.3
197.13248	18.9
198.10405	3.5
198.13930	3.4
199.11214	10.7
199.14839	6.5
200.74232	3.2
201.12759	7.4
203.14320	26.9
206.11043	6.3
207.11702	21.0
207.13832	15.8
208.12483	7.6
208.14604	11.8
209.13261	19.2
209.15231	5.9
210.10442	4.0
210.14026	5.8
211.11249	4.6
211.14763	14.7
212.11852	3.9
213.12762	10.9
215.14417	3.7
219.11673	7.9
219.13646	5.5
220.12502	3.9
221.13280	13.0
221.15347	95.7
223.11237	4.5
223.14793	13.5
225.12770	6.0
225.16408	9.0
227.14400	4.6
231.11801	4.1
233.13289	6.1
233.15378	24.6
234.16125	10.3
235.14832	8.4
236.15558	5.2
237.12717	6.5
237.14700	39.3
239.14378	4.7
241.16022	4.6
245.13191	3.9
247.14821	6.1
247.17072	12.1
248.14125	9.6
249.16429	8.3
250.15581	3.9
251.14255	4.1
251.18260	3.9
253.15871	7.4
253.19678	3.1
255.17450	24.7
257.19193	4.1
258.13977	3.3
259.17035	4.8
261.16586	5.8
263.17984	3.9
268.18167	3.7
269.18893	3.7
270.19904	7.3
271.16919	9.8
274.19434	14.2
277.19519	5.4
279.17343	6.4
281.18930	3.8
285.18674	4.2
286.19299	15.6
287.20068	11.9
294.19727	3.8
295.20480	4.6
297.18829	3.4
299.20062	10.0
303.19537	56.2
309.18466	2.8
311.20193	4.8
312.20877	7.2
313.21750	21.6
325.21851	14.9
329.22769	3.3
337.21704	8.9
347.23114	3.5
352.23969	100.0
365.24835	25.0
377.24710	8.0
383.25888	5.7
420.30145	3.8
502.34839	13.4
503.34851	5.7
505.33276	5.1
507.35229	13.6
508.34995	9.0
520.35614	61.0
582.40741	5.8
583.41339	3.7
585.39142	6.8
600.41595	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.0
55.05513	20.5
56.61834	3.1
57.07080	10.3
59.04987	4.9
65.41626	3.2
67.05514	28.5
69.03430	17.0
69.07068	18.7
71.04987	4.5
74.16611	4.0
79.05507	40.2
81.03436	4.6
81.07063	43.5
83.04979	13.2
83.08627	13.0
85.06547	9.0
89.06052	6.5
91.05489	63.5
93.07054	77.8
95.04977	22.7
95.08613	38.2
97.06540	12.0
98.20718	5.9
103.05425	3.9
105.07040	100.0
107.04975	4.7
107.08610	63.0
109.06540	16.8
109.10160	21.4
111.08083	5.2
113.09653	5.7
115.05472	8.5
117.07034	28.3
119.08592	82.4
121.06554	17.1
121.10155	51.0
122.63144	3.9
123.08078	29.6
123.11768	8.0
125.05998	5.3
125.09669	8.6
128.06219	15.3
129.07033	26.6
130.07782	8.1
131.08582	50.5
132.09312	3.6
133.06511	9.7
133.08618	5.2
133.10156	46.0
135.08081	22.9
135.11693	14.1
137.09608	16.5
141.07001	12.2
142.07803	30.2
143.08588	50.6
144.09340	15.1
145.10141	61.8
147.08061	32.1
147.11670	15.9
149.09641	17.1
151.07590	18.9
153.07002	4.1
154.07808	4.9
155.08615	19.1
155.10616	5.2
156.09378	24.1
157.10141	76.8
158.10916	9.6
159.08054	16.9
159.11707	42.3
161.09644	21.3
161.13278	9.5
163.11226	20.3
165.07002	9.0
165.09132	35.0
167.08569	12.1
167.10625	17.2
168.09381	7.8
169.10199	30.4
170.10889	11.3
171.11708	43.5
172.12437	11.7
173.09624	12.0
173.13283	22.0
175.11261	25.0
175.14833	6.0
177.09213	3.7
177.12776	6.5
179.08665	8.0
179.10669	4.8
180.11530	4.5
181.10133	17.7
181.12216	5.1
182.10960	7.9
183.11700	29.4
184.12418	8.4
185.09715	6.8
185.13298	22.8
186.14082	4.7
187.11220	6.9
187.14850	10.2
189.12698	17.5
190.13533	12.7
191.08594	4.6
191.14297	5.6
192.09312	5.2
193.10168	15.4
193.12247	12.7
194.10956	8.1
195.11687	29.2
196.12451	8.8
197.09746	5.1
197.11670	5.1
197.13286	27.2
199.11302	8.0
199.14880	5.3
201.12651	7.9
203.14287	20.1
206.11002	7.9
207.11702	13.9
207.13820	16.6
208.12523	7.4
208.14426	6.2
209.13319	19.9
209.15128	4.9
210.10440	3.8
210.14047	6.2
211.11139	6.7
211.14838	14.9
213.12799	8.9
215.14365	7.9
219.11742	6.7
219.13809	7.1
220.12494	7.9
221.13264	11.9
221.15359	80.0
222.15770	5.2
223.14784	10.6
225.12732	8.6
225.16406	10.9
227.14354	7.0
227.18013	4.6
229.15773	4.1
231.11676	5.3
231.13832	6.4
231.71115	3.7
232.12463	4.6
233.13388	5.5
233.15393	17.2
234.16124	9.7
235.14816	12.7
236.15549	4.0
237.12755	5.2
237.14708	28.7
241.16025	6.6
245.13240	4.5
247.14804	5.9
247.17104	8.6
248.14133	13.2
249.16412	6.7
253.15750	6.8
255.17526	32.6
259.17078	4.7
261.16382	8.3
263.18008	8.6
265.16019	6.2
265.19556	6.5
267.17410	4.9
269.19009	6.3
270.19772	5.0
271.17108	7.0
273.18628	5.7
274.19235	12.1
277.19781	4.2
279.17496	5.4
281.19022	6.7
285.18671	4.9
286.19202	11.9
287.20145	10.2
294.19754	6.6
295.20642	8.1
299.20230	16.0
303.19501	45.5
311.20004	3.6
312.20883	6.1
313.21719	10.9
325.21664	13.6
337.21762	7.1
352.23984	71.3
365.24927	18.6
383.25641	5.1
502.34271	12.7
503.35202	5.4
507.34918	8.5
508.34821	4.5
520.35553	49.0
549.37476	4.0
582.40942	6.3
600.41394	22.5
601.03101	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01874	3.1
55.05518	13.2
57.07093	10.8
59.04992	3.5
65.03925	4.3
67.05515	24.1
68.54729	2.1
69.03436	17.2
69.07069	19.9
70.80286	2.6
70.80621	5.2
71.04994	3.7
73.81055	2.0
76.05292	2.1
77.03914	2.7
79.05495	27.2
81.07060	34.7
81.23139	2.1
83.02082	2.5
83.04987	13.4
83.08607	6.3
85.06546	6.5
91.05491	45.9
93.07050	68.3
93.07635	4.0
95.04980	21.6
95.08070	3.4
95.08617	29.7
97.06525	11.0
103.05447	5.3
104.25381	2.3
105.07040	86.4
107.04955	4.9
107.08604	55.8
109.06526	22.6
109.10176	16.4
111.04453	3.3
111.08063	4.9
115.05431	6.6
117.07041	24.2
119.08585	69.5
121.06521	15.4
121.10146	52.6
123.08081	29.0
123.11664	3.0
125.05984	7.7
125.09664	5.8
128.06216	14.6
129.07002	22.5
130.07791	6.6
131.08578	41.8
132.09348	4.2
133.06479	8.0
133.08627	2.8
133.10136	40.4
135.08064	24.3
135.11687	13.5
137.05968	2.9
137.09605	12.7
139.07545	4.0
139.11078	2.6
141.06990	8.1
142.07813	28.2
143.08574	46.3
144.09317	15.4
145.06499	6.2
145.10141	58.7
146.10786	2.9
147.08049	34.0
147.11690	15.7
148.08765	2.8
149.09601	19.9
151.07564	20.7
154.07805	3.4
155.08585	19.1
156.09361	20.4
157.10126	76.0
158.10901	11.9
159.08069	16.7
159.11690	34.9
160.08820	5.5
161.09622	20.6
161.13263	6.4
162.10248	3.0
163.07553	3.0
163.11212	16.0
165.06966	5.9
165.09137	45.1
166.07776	3.6
167.08545	9.5
167.10678	15.0
168.09280	7.1
169.10123	23.7
170.10892	13.7
171.08040	2.9
171.11690	40.5
172.12379	8.5
173.09656	13.6
173.13277	18.3
174.10315	3.1
175.11177	24.8
175.14761	5.3
176.65639	2.4
177.09050	3.2
177.12791	6.1
179.08556	8.4
179.10675	2.8
180.09320	5.0
181.10101	15.1
181.12253	13.1
182.10872	10.3
183.11700	27.0
184.12404	4.8
185.13281	25.4
186.10347	2.4
186.13953	3.7
187.11203	10.8
187.14813	5.1
189.12801	14.3
190.13412	9.3
191.14299	5.7
192.09418	4.5
193.10094	9.6
193.12227	9.5
194.10913	10.1
195.11703	22.9
196.12450	6.8
197.09755	4.3
197.11661	5.2
197.13280	19.9
199.11188	9.4
199.14784	6.8
201.12769	9.6
203.14310	26.9
205.10072	3.7
205.12160	3.6
206.10881	6.0
207.11729	12.2
207.13789	15.1
208.12405	6.6
208.14537	10.6
209.09596	2.7
209.13269	20.5
209.15210	4.1
210.13995	5.6
211.11125	5.8
211.14854	15.0
212.11937	3.8
213.12732	9.1
215.10689	2.7
215.14299	5.7
217.10175	3.0
218.16528	3.3
219.11652	6.3
219.13820	8.6
220.12494	3.7
221.13266	12.5
221.15350	88.8
222.13892	5.3
223.14862	13.4
225.12724	7.2
225.16397	5.2
227.14310	6.4
229.12242	4.8
229.15691	3.6
231.11838	4.1
233.13289	4.9
233.15341	22.1
234.13968	3.5
234.16153	12.0
235.14944	10.7
235.16844	2.9
237.12743	6.4
237.14752	44.1
239.14264	2.5
239.17871	3.9
240.15034	3.9
241.15901	5.7
245.13203	3.5
246.14127	2.6
247.14798	4.6
247.16917	11.5
248.13954	13.5
249.16385	3.0
251.14148	2.5
253.15868	5.7
255.17439	19.9
259.17096	3.0
261.16324	9.3
265.15881	3.5
267.17389	4.9
268.18256	3.1
269.19116	3.3
270.19766	7.7
271.16922	6.6
273.18655	4.4
274.19388	14.1
276.18518	3.3
277.19461	4.3
279.17410	4.3
281.19052	5.9
285.18503	8.3
286.19424	15.6
287.20059	8.3
289.19662	2.4
294.19727	7.4
295.20541	3.4
297.18640	4.1
299.20187	14.7
300.20804	2.5
303.19604	53.7
310.19070	3.3
312.20834	6.9
313.21667	18.3
319.20572	5.6
325.21606	19.8
337.21671	8.9
347.23608	2.5
352.23996	100.0
365.24875	17.9
377.24792	6.8
379.26343	2.5
383.25702	5.1
401.28186	3.4
454.30768	3.8
463.31775	2.9
502.34293	13.1
503.35214	8.6
505.32993	6.3
507.34598	10.3
508.34897	9.5
520.35529	64.1
567.38239	4.6
582.40875	4.3
585.39020	4.3
600.41626	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	34.9
57.03433	9.2
57.07072	27.2
67.05512	71.0
69.03429	17.8
69.07073	43.9
71.04989	12.5
71.53352	9.5
79.05502	51.9
79.87885	7.8
81.07074	72.3
82.56066	10.4
83.04984	17.0
83.08626	27.7
85.06570	12.9
89.06042	44.1
91.05488	57.9
93.07043	73.5
95.04989	19.6
95.08624	57.6
96.92155	8.6
97.06545	24.0
97.10155	10.3
105.07036	89.5
106.07365	11.5
107.08572	47.7
109.06550	15.5
109.10149	47.2
111.08096	11.6
113.09704	9.4
117.07029	23.2
119.08583	100.0
121.06499	19.6
121.10151	65.7
123.08064	23.9
123.11698	14.5
128.06230	16.4
129.07051	22.6
131.08597	33.4
133.08585	27.9
133.10123	45.4
135.08099	19.3
135.11678	15.6
137.09660	27.3
139.11130	10.0
141.06978	18.0
142.07742	22.9
143.08598	44.3
145.06520	21.0
145.10144	55.1
147.08076	29.5
147.11723	14.3
149.09581	17.3
149.13322	15.0
151.07541	12.5
155.08575	18.2
156.09354	18.4
157.10139	48.1
159.08076	23.0
159.11737	35.7
160.08878	59.9
161.09682	13.3
163.11229	41.2
165.09148	42.4
169.10164	28.0
171.11708	38.4
173.09677	21.1
173.13274	17.9
175.11218	23.5
177.11295	18.9
180.09282	10.2
181.10089	14.7
181.12253	24.0
183.11775	27.9
185.13286	17.7
187.11316	15.8
193.10201	10.6
197.13303	19.0
201.12744	14.1
207.11816	10.3
207.13837	19.5
208.14645	16.9
209.13210	21.6
221.13385	16.6
221.15341	98.1
222.15771	18.0
234.16188	25.8
237.16599	9.5
245.29393	8.8
246.16484	11.9
247.16940	21.2
274.19131	16.7
283.26224	13.1
286.19266	31.5
287.19958	15.0
299.20099	19.9
303.14529	9.8
312.20590	13.5
325.21750	20.7
352.24023	36.5
365.24545	19.0
379.26373	10.6
386.61148	11.3
415.25281	17.4
419.30023	10.6
427.28384	10.2
438.51273	9.3
440.29532	54.5
455.02048	10.9
508.35385	12.3
520.35236	45.7
568.63940	11.7
582.40234	11.6
600.41595	51.6
600.56024	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01871	1.3
55.05506	6.3
57.07077	11.8
59.04994	3.8
67.05244	1.0
67.05510	11.2
69.03434	10.1
69.07082	7.4
69.74426	2.7
69.74818	3.6
70.06585	1.4
71.05013	1.4
71.08623	2.1
74.89371	1.0
79.05151	1.1
79.05502	13.1
81.03416	1.5
81.07054	21.0
82.07365	1.2
83.04958	6.1
83.08598	2.4
85.06544	3.8
89.06010	4.0
91.04918	1.2
91.05481	24.8
92.06285	2.1
93.07042	29.0
94.07843	1.1
95.04971	7.8
95.08603	19.8
97.06564	5.5
98.20763	1.9
100.07711	1.3
101.51882	1.1
103.05497	1.6
105.07032	41.9
106.07863	1.8
107.04977	1.5
107.08597	21.5
109.06512	12.2
109.10154	8.6
111.08068	2.6
111.11652	1.3
115.05442	2.2
117.07011	9.8
119.08583	50.6
120.09370	3.5
121.06480	6.0
121.10146	19.3
123.08070	14.7
125.06001	11.4
128.06194	3.8
129.06985	8.9
130.07770	3.8
131.08574	18.0
132.09297	2.6
133.06464	3.3
133.07480	1.5
133.08621	2.2
133.10127	22.1
134.10907	3.3
135.08054	15.9
135.11667	7.5
137.06046	1.2
137.09618	12.7
139.07532	2.0
141.06999	3.6
142.07785	9.4
143.08559	19.0
144.09343	5.8
145.06483	2.5
145.10124	32.9
146.10878	1.7
147.08047	23.2
147.11682	5.8
148.08821	2.0
149.09631	10.6
150.10368	2.5
151.07515	9.8
151.11143	1.7
153.07082	1.4
154.07732	1.5
154.88181	1.2
155.08569	8.2
156.09360	8.8
157.10123	30.3
158.10814	4.5
159.08057	8.9
159.11684	19.0
160.08832	3.7
160.12418	2.8
161.09624	12.2
161.13261	5.7
162.10318	2.0
163.07607	1.8
163.11189	22.3
165.06999	2.7
165.09108	46.9
166.09384	1.4
167.08519	4.0
169.10121	13.8
170.10942	5.4
171.08142	1.8
171.11694	18.0
172.12450	4.1
173.09647	7.4
173.13275	6.5
175.11186	19.5
175.14816	3.4
176.11862	1.6
177.09106	4.1
177.11296	1.4
177.12752	1.8
178.09872	2.1
179.08536	2.7
179.10667	1.6
180.09383	1.5
180.11449	2.0
181.10396	7.0
181.12225	17.3
182.10825	4.2
183.11687	16.3
184.12325	2.9
185.09633	2.9
185.13206	9.2
186.10358	2.3
187.11147	5.1
187.14778	3.1
188.11923	1.3
189.09027	1.7
189.12737	8.0
190.13528	9.3
191.10645	4.4
191.14348	2.0
191.70154	1.1
192.09392	1.8
193.10278	2.7
193.12236	12.8
194.10963	2.4
194.12592	1.2
195.08034	1.2
195.11713	9.3
195.13354	1.4
196.12485	2.5
197.09573	3.3
197.13216	10.3
198.10408	1.2
198.14079	1.7
199.11125	5.5
199.14806	2.2
201.12738	8.2
203.10670	1.7
203.14313	19.2
205.12149	1.3
206.10837	1.8
207.11652	5.5
207.13797	9.4
208.12593	2.5
208.14545	10.1
209.13324	7.2
209.15211	2.1
211.11212	3.9
211.14842	7.6
212.15575	1.6
213.12730	4.3
213.16379	1.5
215.10558	2.2
215.14288	2.9
216.15108	3.2
217.12173	1.9
219.11749	2.7
219.13815	8.5
220.12503	2.9
221.13379	5.5
221.15353	100.0
222.15765	6.5
223.11215	2.0
223.14848	3.6
225.12718	5.0
225.16353	2.8
227.14392	2.4
229.12300	1.5
229.15913	2.9
231.13702	2.4
233.13298	2.0
233.15401	4.0
234.16139	21.3
235.14714	3.1
235.17018	2.3
237.12766	4.0
239.14391	3.4
239.17960	2.3
241.15727	2.2
243.13754	1.4
245.15440	2.2
247.14590	2.5
247.16948	29.0
248.17677	2.9
249.12732	1.2
249.16289	1.9
251.14308	2.9
253.15834	3.6
255.17505	2.0
257.15424	1.5
259.17004	2.8
261.16226	1.5
261.18646	2.5
265.15729	1.6
267.17444	1.3
269.15482	1.8
271.16953	3.7
273.18661	1.8
274.19244	13.9
279.17410	4.4
281.18973	4.1
283.26373	7.3
285.18402	2.2
286.19345	5.2
287.20145	9.8
293.18948	1.7
297.18378	3.7
299.20068	19.1
300.20795	4.2
300.28906	2.4
307.20511	2.3
310.19315	1.7
311.20029	3.4
312.20767	9.2
313.21671	7.2
319.20432	1.8
325.21625	17.8
326.22388	2.3
327.23328	2.7
337.21683	5.0
339.23230	7.6
339.28958	4.0
340.23941	17.4
344.31378	1.9
351.23257	2.8
352.23962	29.9
353.24554	1.4
365.24567	6.4
366.25467	4.4
377.24646	2.9
379.26349	4.9
385.23660	1.4
387.25357	6.0
391.26364	5.1
392.26950	2.8
400.26086	2.9
411.25085	2.3
413.26755	6.3
415.25278	1.8
419.29520	8.2
420.30099	4.1
425.26688	9.5
426.27673	5.1
427.28415	16.4
428.29138	1.9
439.28143	1.9
440.29221	55.5
440.35345	2.8
442.30576	2.7
451.89716	1.2
453.29764	2.0
454.30661	3.2
493.32831	1.5
494.33762	1.7
505.33096	2.5
507.34531	4.0
508.35547	6.0
520.35504	44.9
521.35938	2.9
522.06952	1.2
565.40759	2.8
583.42682	1.2
585.39105	4.0
600.41620	35.5
600.55591	15.1
601.41730	1.8
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
53.03947	1.4
55.05515	6.7
57.07073	10.7
59.05007	2.5
59.13863	1.1
65.03938	1.5
66.32511	1.1
67.05511	12.5
69.03432	10.6
69.07072	6.4
77.88652	1.0
79.05492	11.7
80.06284	1.2
81.03434	1.4
81.07056	18.1
83.04997	5.1
83.08659	2.1
85.06552	3.5
89.06059	2.9
91.05486	25.9
92.05810	1.2
92.06330	1.7
93.07048	30.3
95.04974	7.3
95.08611	19.9
95.09171	1.4
96.08985	1.6
97.06569	3.6
98.06709	1.1
103.05489	2.6
105.07037	39.8
106.07328	1.7
107.04988	1.8
107.08601	20.7
107.88080	1.2
109.06509	10.6
109.10182	5.2
115.05529	1.5
117.07041	11.9
119.04947	1.5
119.08589	46.6
120.09388	1.9
121.06540	4.5
121.10149	19.6
123.08073	13.8
123.11685	1.3
125.05983	10.9
128.06244	4.3
129.07005	8.0
130.07797	3.7
131.08588	18.9
132.09288	1.5
133.06532	4.7
133.10150	18.2
134.10719	1.2
135.08055	15.1
135.11713	5.5
136.08885	1.1
137.05989	2.0
137.09627	11.1
139.07555	2.5
141.07007	2.8
142.07809	7.2
143.08585	16.7
144.09389	5.5
145.06540	1.5
145.10135	28.4
146.07243	1.4
147.08054	27.9
147.11685	5.9
148.08508	1.7
149.09615	9.7
151.07521	10.5
151.11221	2.1
153.06950	1.6
153.09106	1.6
154.07678	1.4
154.86493	1.4
155.08565	8.4
156.09372	7.5
157.10139	25.9
158.10854	4.5
159.08034	7.9
159.11696	18.9
160.08757	1.9
160.12473	1.6
161.09604	9.5
161.13280	6.0
162.10236	1.3
163.11162	15.9
165.07060	2.2
165.09128	42.1
166.08113	1.1
166.09497	5.0
167.08623	3.2
168.09395	2.6
169.10121	9.1
170.10938	4.7
171.08144	1.9
171.11732	13.2
172.12407	2.6
173.09705	6.7
173.13263	5.6
175.11230	17.3
175.14874	2.1
177.09129	3.2
177.12804	2.3
178.09894	1.5
179.08659	2.7
179.10663	2.5
180.09346	2.1
180.11490	2.3
181.10092	6.2
181.12242	16.6
182.10941	3.8
183.11714	12.0
184.12152	3.0
185.09627	2.5
185.13327	8.8
186.10384	1.3
186.13864	1.7
187.11230	6.4
187.14893	3.7
189.12735	7.7
190.13589	8.3
191.10716	3.9
191.14444	1.5
192.09555	1.4
192.11343	1.3
193.10182	3.2
193.12311	9.6
194.10992	1.9
195.11760	6.8
195.13646	1.9
196.12451	4.3
197.09679	1.9
197.13287	9.2
199.11246	4.3
199.14803	2.0
201.12737	5.4
203.14310	17.5
204.14711	3.2
205.10229	1.5
206.10921	1.9
207.11740	4.6
207.13879	9.8
208.12611	2.7
208.14633	8.7
209.13297	6.8
209.15143	1.8
210.14069	2.4
211.11241	3.7
211.14864	6.3
212.15408	1.4
213.12793	3.4
213.16467	2.6
215.10771	1.3
215.14259	3.1
219.11891	2.0
219.13860	6.4
220.12556	2.0
221.13313	4.5
221.15369	100.0
222.13774	2.5
222.15706	16.8
222.17430	1.3
223.11183	1.7
223.14890	3.7
224.11996	1.4
225.12816	4.8
225.16414	3.4
227.14348	2.7
231.13892	2.0
232.12347	1.4
233.13342	2.6
233.15486	3.6
234.16158	17.6
235.14842	2.4
235.16997	1.5
237.12872	3.6
239.14333	2.9
240.18762	1.4
241.15907	1.9
243.13890	2.2
247.16936	29.1
248.17526	5.0
249.16472	1.9
251.14343	2.4
253.15942	3.6
257.15485	1.3
259.17029	3.2
261.16400	1.6
263.17984	2.0
265.16150	1.9
265.19293	1.3
269.15405	2.7
271.16992	3.0
273.18637	2.7
274.19315	11.5
279.17557	2.7
281.15613	1.3
281.18936	2.0
284.17883	1.2
285.18542	2.6
286.19379	5.1
287.20129	10.6
288.20813	1.6
297.18515	3.3
298.19260	1.5
299.20111	19.5
300.20770	4.3
307.20398	2.1
310.19394	2.7
311.20114	3.7
312.20886	8.8
313.21732	7.0
321.22253	1.3
325.21591	17.0
326.22232	1.5
327.23343	1.3
337.21744	3.6
339.23337	7.7
340.24045	16.9
351.23050	1.4
352.23999	30.4
353.24673	1.9
365.24753	5.5
366.25778	3.4
379.26343	4.1
387.25296	2.6
391.26624	4.8
392.26862	5.1
400.26428	1.8
405.28033	1.8
413.26953	7.2
419.29297	6.1
420.30304	4.0
425.26672	7.0
426.27737	7.4
427.28540	14.1
428.29141	3.9
439.28305	1.7
440.29260	56.0
442.30884	4.2
454.30701	3.2
505.33209	1.6
507.34683	3.6
508.35376	7.3
520.35498	41.1
521.36285	3.2
545.67957	1.4
582.40942	2.8
585.39771	2.8
600.41528	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07404	0.3
53.03934	0.7
55.01869	1.2
55.05514	3.6
56.05021	0.4
56.33531	0.4
57.03415	0.5
58.99583	1.4
59.98227	0.4
64.06953	0.4
65.03948	0.6
67.05180	0.6
67.05509	8.4
69.03444	0.5
69.07072	3.4
69.73970	2.0
69.92255	0.3
70.06596	0.4
70.74362	0.3
71.04977	0.5
73.01170	0.4
74.00665	2.2
76.02218	2.0
79.05494	6.5
80.05021	1.7
80.06197	0.4
81.03425	0.6
81.07059	19.2
82.06592	0.7
83.04993	1.0
83.06110	1.7
83.08627	2.5
84.04517	5.2
84.08147	0.4
85.01142	0.8
85.06534	0.8
86.00661	0.5
91.05480	7.2
93.07050	6.9
94.06573	1.1
95.04967	1.7
95.08610	10.1
96.08152	0.6
97.01132	1.7
97.06550	1.0
97.10186	0.8
98.00674	0.6
99.01428	2.9
99.02658	0.5
99.05569	0.7
100.02206	5.9
102.05574	0.6
105.07031	5.8
106.06583	1.0
107.04953	1.5
107.06055	0.7
107.08599	4.0
108.08125	0.6
109.06521	3.4
109.10172	2.7
111.02666	1.1
111.08099	0.8
112.02190	7.6
113.02981	1.2
113.04209	1.1
114.03767	6.7
114.09096	0.4
115.05753	0.5
116.01676	1.9
117.07025	1.5
119.08585	4.6
120.08129	0.9
121.06501	1.6
121.10158	2.8
122.09708	0.5
123.02615	0.5
123.08079	1.0
123.11707	1.4
125.04228	1.1
126.03719	2.6
129.06538	1.8
130.05005	1.7
131.08588	2.8
132.08038	0.4
133.10129	3.4
134.09633	0.6
134.47301	0.4
135.08061	1.0
135.10422	0.6
135.11667	1.1
137.04213	1.0
137.09595	0.5
138.03743	2.1
139.03239	0.4
139.05684	0.5
140.05302	6.4
142.03233	0.5
142.06825	0.7
143.08562	0.9
144.01158	0.5
144.09309	0.4
145.06190	0.4
145.10152	2.9
147.08051	0.5
147.11661	3.6
149.09660	1.2
149.13278	2.2
151.05765	0.8
151.11205	0.7
152.04228	0.3
152.05283	2.1
153.06615	0.9
154.06863	1.7
157.10132	0.7
159.08070	0.5
159.11650	1.1
162.02255	0.8
163.11208	1.4
163.14841	0.6
165.12839	0.9
166.06897	1.7
168.08426	14.2
169.06322	0.3
169.10091	0.5
170.02774	0.4
171.11650	0.4
173.11940	0.5
173.13258	2.6
175.11081	0.4
177.12813	0.6
179.04817	1.1
181.06056	0.5
185.03801	2.6
185.13268	0.5
187.05313	0.7
187.14838	0.4
191.14323	0.7
193.12167	0.5
199.07193	0.6
202.04044	1.8
205.12129	0.4
206.15440	0.5
207.13809	0.5
209.09181	0.6
209.15486	1.8
215.04839	0.4
216.05693	2.1
229.06378	0.5
231.04375	3.4
233.05861	0.6
236.14671	1.2
236.16605	1.0
241.06487	1.2
255.07935	2.9
256.08871	0.5
257.19083	1.0
264.14172	5.9
265.12463	0.5
265.15094	0.7
269.09695	1.4
270.10333	6.4
271.11124	0.9
275.20081	6.9
275.22784	0.6
281.14426	1.8
282.15234	31.3
293.21024	1.3
307.17389	0.7
308.09180	1.2
315.17358	0.4
323.16248	0.6
323.20233	0.5
324.19601	0.5
325.15775	0.6
333.18729	2.0
339.17154	0.6
350.21503	8.2
351.19888	2.2
360.20258	0.5
368.22556	12.0
378.21063	0.7
384.17157	10.6
385.17932	2.2
453.24203	100.0
454.24466	1.1
479.25311	0.6
507.25803	0.7
525.26349	4.4
537.26526	0.4
582.28772	1.9
583.27356	0.6
600.29523	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01877	1.1
55.05513	3.4
56.05041	0.9
57.03439	0.7
57.07078	1.0
57.98797	0.8
58.99587	17.6
61.01138	0.4
61.10151	0.4
65.03965	0.5
67.05505	8.6
67.05842	0.7
69.07069	5.7
69.71118	0.8
69.71519	2.0
73.01143	0.5
76.02231	71.9
76.03994	2.8
78.03797	0.4
79.05497	6.3
80.05004	0.6
81.03429	0.5
81.07056	11.1
83.04999	3.1
83.06118	1.2
83.08648	2.0
84.04507	13.1
86.00648	0.4
86.99052	4.4
88.02234	1.9
91.05486	6.7
93.07050	8.8
94.06655	0.5
95.04950	2.2
95.08613	6.5
97.01118	0.6
97.06527	1.3
97.10165	1.6
99.05581	0.5
102.05544	0.5
103.05466	0.5
105.04462	0.5
105.07034	8.8
105.74130	0.4
107.04935	3.0
107.08602	5.0
108.04479	0.6
109.06544	4.4
109.10142	3.5
111.08092	0.8
114.03807	0.5
116.01681	23.4
117.07039	3.1
119.08579	6.7
121.06528	5.1
121.10148	3.1
123.08074	2.1
123.11691	0.9
129.06679	1.3
130.05016	5.7
130.07790	0.4
131.08577	6.3
133.06482	1.2
133.10139	7.2
135.08087	2.1
135.11685	2.2
137.05940	0.4
137.09596	0.8
137.99303	0.4
141.04823	1.0
142.03227	6.7
143.08592	1.2
144.01149	13.1
145.06073	1.0
145.10127	5.8
147.08072	2.3
147.11687	4.5
149.09654	2.5
149.13298	1.2
151.11176	1.6
155.08351	0.5
157.10129	1.4
159.08046	0.9
159.11693	2.4
161.09630	1.8
161.13275	1.1
162.02211	42.6
163.11198	2.0
165.12845	0.6
169.10141	0.9
170.02724	3.2
171.11684	1.5
173.09644	1.1
173.13263	2.1
175.11195	1.3
175.14874	0.6
177.12779	0.8
179.04860	100.0
181.06071	0.6
183.11729	1.1
185.13235	0.9
187.05305	3.1
187.11124	0.7
187.14778	0.5
188.03787	0.6
189.12802	0.5
191.14330	1.6
197.13309	0.5
201.12743	1.0
201.16357	0.6
207.13882	2.6
215.04836	1.8
215.17934	0.7
219.13867	1.9
227.04762	0.6
229.19427	0.6
233.05930	10.9
233.15466	0.5
239.18015	0.8
245.05949	2.9
245.18985	0.7
247.20523	0.9
257.19019	4.2
273.18512	3.8
275.20078	29.7
290.08105	0.9
291.06409	2.4
291.19559	2.3
293.21130	20.7
308.09109	36.0
350.21567	0.7
368.17990	0.8
368.22516	10.6
378.20773	1.3
422.05469	0.4
453.24158	5.1
471.25409	3.2
479.25803	0.7
507.25153	0.7
525.26385	3.7
582.28528	1.7
600.29529	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	600.2875
Annotation	Obyanamide
Peak:m/z	Relative Intensity
53.03933	0.2
55.01860	0.2
55.05504	0.5
57.03425	0.5
61.02649	0.2
61.02927	2.5
67.05508	0.7
69.03435	0.9
69.07045	0.2
70.06586	1.1
71.04981	0.2
71.39812	0.3
72.08143	0.3
73.02919	1.0
73.99174	0.1
79.05498	0.7
81.03419	7.1
81.07047	0.8
83.04965	0.4
83.08618	2.3
84.08153	0.3
85.02909	2.3
86.09691	0.4
86.31394	0.1
87.04478	0.2
91.03973	1.4
91.05491	0.9
93.07012	0.5
95.04964	2.1
95.08620	0.2
95.57765	0.1
97.02901	1.9
97.06523	0.2
97.10194	0.1
99.04458	0.2
101.02370	0.4
105.07027	0.6
107.04957	0.6
107.08569	0.3
109.05161	0.1
111.04453	0.2
111.08075	1.1
112.08710	0.2
115.03983	0.2
117.03313	0.1
119.03571	0.9
119.08609	0.7
120.08080	0.2
121.06547	0.1
121.10131	0.4
127.03873	0.3
127.38607	0.1
127.42688	0.1
129.07016	0.5
129.10194	0.2
131.04828	0.2
131.08542	0.7
133.06503	0.3
133.10120	0.2
136.06187	100.0
137.04602	0.5
137.05870	0.2
142.07733	0.1
145.10168	0.1
147.08041	0.2
147.11693	0.6
149.09599	0.5
157.10136	0.8
159.08090	0.2
165.12779	0.3
175.11217	1.3
177.05443	0.2
193.12251	6.1
211.13373	0.5
249.11259	1.2
267.15933	3.4
267.18628	0.3
269.12912	0.2
285.16977	4.7
303.76480	0.2
309.16946	0.2
333.35864	0.1
363.17911	0.1
420.22440	3.8
438.23544	2.8
534.03375	0.1
582.27716	5.9
600.28821	5.6
600.38513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	17.6
57.03433	8.0
57.07063	6.3
61.02935	21.9
67.05509	41.5
69.03424	9.2
69.07066	20.6
71.08649	3.0
71.51933	3.4
73.02905	11.7
73.93534	2.1
79.05488	19.3
81.03423	8.4
81.07061	100.0
83.08612	12.8
85.02905	28.5
85.06550	15.0
86.09727	3.4
91.03956	21.4
91.05483	13.9
93.07055	26.3
95.04957	4.8
95.08614	40.5
97.02898	21.0
97.06539	5.0
97.10152	6.0
99.08098	77.1
105.07034	27.1
107.08589	33.6
109.10164	53.2
109.10881	1.2
111.08100	3.2
111.11710	2.7
113.09644	6.2
116.01393	2.4
117.07026	6.1
117.09138	3.2
119.08568	19.4
120.08185	2.8
121.10162	27.8
123.11714	10.0
125.09662	2.6
127.03944	10.6
127.11202	16.0
127.12012	2.4
129.06982	2.2
131.08620	11.2
133.10133	25.6
135.11707	26.0
137.05974	2.9
137.13255	2.8
143.08588	3.7
145.04967	9.8
145.10141	23.5
147.11688	34.7
149.13255	13.6
151.11195	2.9
153.12756	8.5
157.10091	4.9
159.11722	20.6
161.13261	47.9
163.06035	5.6
163.11188	3.5
163.14796	5.5
167.14272	2.5
171.11662	4.1
173.13196	11.5
175.14842	7.5
177.16435	3.3
179.03394	2.6
185.13298	4.4
187.14832	8.4
189.16431	7.0
197.13359	2.4
198.15016	2.2
199.14769	4.9
201.16379	7.2
203.17993	3.9
213.16328	5.5
215.17981	25.5
227.17838	4.6
233.18912	4.8
241.19562	13.3
243.07596	2.2
255.21071	46.1
257.22620	27.9
259.20563	4.7
273.22116	42.1
275.23590	4.3
283.24200	3.4
285.25769	20.2
325.28796	2.4
365.31995	6.8
365.75348	2.4
383.33130	57.7
401.34158	50.2
419.35257	5.9
428.16183	2.7
435.27411	39.1
446.17126	7.9
465.21341	2.2
545.38892	3.3
563.39581	32.1
599.23987	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	599.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01876	21.6
55.05275	3.0
55.05516	42.4
57.03429	10.5
57.07064	8.6
63.15675	2.5
65.03902	3.9
67.05509	85.5
69.03410	7.9
69.07076	27.8
71.04985	8.6
71.23194	3.3
71.23551	3.5
77.03963	2.3
79.05499	82.9
81.03416	9.0
81.06591	4.6
81.07061	80.1
83.04991	15.9
83.08631	24.8
85.06523	7.8
91.05486	80.7
91.47546	3.0
93.07046	100.0
95.04971	18.3
95.08606	64.9
97.06535	33.3
97.10178	13.5
99.08097	4.3
103.05460	4.2
105.07040	78.2
107.04967	15.0
107.08600	68.3
109.06519	13.7
109.10166	36.5
111.08081	6.2
111.11832	2.9
115.05442	5.4
117.07031	23.2
119.08581	58.2
120.08939	2.5
121.06488	9.4
121.10141	46.2
123.08080	14.1
123.11696	10.7
125.05991	3.3
125.09603	11.7
128.06218	7.0
129.07008	21.4
131.08580	43.4
133.06512	2.8
133.10143	45.0
135.08054	12.3
135.11694	28.8
137.09607	10.0
137.13351	2.3
139.11134	2.9
141.06964	5.6
142.07773	7.6
143.08565	27.3
144.09296	4.6
145.10123	50.4
147.08054	12.2
147.11681	27.4
149.09619	27.2
149.13260	10.6
151.07521	11.1
151.11151	3.2
153.07140	2.7
155.08533	12.4
156.09334	5.8
157.10149	28.7
158.10802	2.7
159.08078	5.3
159.11690	34.7
161.09584	5.9
161.13365	13.5
163.11189	16.8
165.09113	19.4
165.12756	4.5
167.08592	7.1
167.10699	3.7
169.10150	16.4
171.10378	4.1
171.11667	21.3
173.09605	3.2
173.13274	17.5
175.11224	8.7
175.14838	7.0
177.12798	3.8
179.14343	3.2
181.10132	8.2
181.12270	8.0
182.10945	2.7
183.11728	14.3
185.09718	3.1
185.13269	15.4
187.11246	4.9
187.14833	8.6
189.11299	5.2
189.12756	3.8
191.14319	4.0
192.09384	2.6
193.10136	2.6
193.12309	3.9
194.10899	3.5
195.11624	12.0
196.12515	3.4
197.13176	14.2
199.11238	3.2
199.14835	8.4
201.12674	3.0
201.16380	5.7
203.14336	6.0
203.17986	2.8
205.15897	4.2
205.19649	2.9
207.11632	7.1
207.13655	4.6
209.13251	13.0
209.15196	3.3
211.14771	9.1
213.16364	7.5
215.17943	9.1
217.15933	3.5
219.11670	2.9
219.17323	2.4
221.13260	8.0
221.15327	36.3
223.14815	6.7
225.12753	4.4
225.16371	7.6
227.12825	8.5
231.11630	3.0
231.17439	5.7
233.13313	3.7
233.15413	6.0
233.19037	3.8
235.14752	4.0
239.14323	2.6
239.17879	5.7
241.19455	3.6
247.14764	4.5
247.17043	4.3
251.17853	3.4
253.19749	3.3
257.19031	7.4
267.15750	3.9
268.16269	4.7
271.20590	3.1
275.20078	47.0
283.20563	4.6
287.20074	3.1
293.21136	4.8
299.19986	3.1
307.22672	48.8
325.21313	2.9
335.26154	3.1
336.88531	2.4
349.23712	28.6
359.92203	2.8
421.40646	2.5
445.29388	2.5
447.78482	2.5
487.34027	8.8
489.37140	6.2
528.37292	6.4
543.18896	3.2
546.38501	5.2
563.40674	4.8
581.41870	63.3
599.24933	8.0
599.42041	78.9
616.13538	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4098
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03941	2.7
55.01862	2.6
55.05521	12.9
57.07065	5.4
59.04987	2.7
65.03942	2.0
67.05503	17.2
69.03429	7.4
69.07071	15.9
69.35781	1.5
76.42332	1.5
79.05500	19.8
81.03428	1.8
81.07056	25.1
81.79884	1.4
83.04970	6.0
83.08624	5.3
85.06526	3.8
91.05494	22.5
91.31415	1.4
93.07046	46.5
95.04987	11.6
95.08611	22.1
97.06530	6.7
103.05450	2.7
105.06329	2.2
105.07033	45.6
107.04961	2.5
107.08600	29.3
109.06528	8.8
109.10168	13.8
111.08074	2.9
111.11723	2.2
113.82818	1.6
115.05419	3.7
117.07024	9.6
119.04953	2.1
119.08582	37.6
121.06499	8.5
121.10152	57.2
123.08066	13.4
123.11714	6.5
125.09635	6.6
128.06212	3.8
129.07008	7.0
130.07799	2.8
131.08575	20.5
132.37024	1.5
133.06500	2.6
133.10138	26.4
135.08058	11.6
135.11678	8.6
137.09615	6.6
139.11185	4.5
141.06985	3.2
142.07799	9.9
143.08559	16.7
144.09410	3.3
145.10130	26.2
147.08029	11.6
147.11699	8.9
149.09650	16.5
151.07530	14.6
151.11162	2.4
155.08572	9.9
155.10591	2.3
156.09398	9.9
157.10149	23.8
158.10960	2.0
159.08084	7.2
159.11722	14.2
161.09644	4.4
161.13277	4.7
163.11201	6.5
165.09137	14.1
167.08528	3.8
167.10678	83.7
168.09337	4.1
169.10129	13.8
170.10899	4.7
171.08063	2.2
171.11681	16.1
172.12529	1.6
173.09724	7.4
173.13257	13.0
175.11223	3.9
175.14880	5.3
179.08528	4.3
180.09354	3.3
181.10143	7.2
181.12257	7.0
182.10907	4.9
183.11697	14.4
184.12373	1.6
185.09650	2.8
185.13271	7.2
187.11198	3.8
187.14891	5.6
189.12735	8.1
191.14336	4.1
193.10155	4.5
193.15903	1.7
194.10954	4.2
195.11797	10.0
195.13370	2.2
196.12503	5.2
197.13217	13.2
199.11208	2.0
199.14877	6.7
201.12625	3.5
201.16367	3.1
203.14359	5.9
205.10304	2.7
205.15915	2.7
206.10884	3.6
207.11691	8.7
207.13824	6.8
208.12337	2.0
209.13306	11.9
209.15054	2.3
211.11226	2.4
211.14861	6.7
213.12769	3.1
213.16402	3.8
215.14343	5.4
217.09972	2.0
217.15971	2.0
219.11708	2.3
220.12508	2.6
221.13245	5.0
221.15315	24.9
222.14130	2.6
223.11243	1.8
223.14821	5.6
224.15686	2.4
225.12785	4.2
225.16460	3.5
227.14270	2.8
231.11613	2.5
233.13257	3.1
233.15364	30.2
234.10361	1.8
235.14723	3.3
237.12711	2.6
237.16461	3.3
239.14293	2.0
239.18001	2.7
241.19545	2.5
241.75458	2.0
245.13416	2.6
247.14801	4.0
247.17085	2.3
249.16380	4.3
251.14404	2.8
251.18008	2.8
257.18994	2.2
259.14853	3.4
261.16403	2.2
263.18039	3.0
265.15860	2.9
269.19159	2.0
273.16150	2.6
273.18735	2.7
275.17868	3.2
285.18753	2.3
287.20169	2.9
289.19467	2.5
299.20108	5.0
311.20093	3.7
317.19205	2.9
359.23788	3.3
365.24796	3.3
373.25156	2.0
390.25375	1.5
391.26306	3.3
393.23822	1.8
419.29254	2.1
507.34744	2.7
563.38953	2.5
571.41510	3.6
581.39972	25.0
583.29401	1.7
599.40967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08649	2.0
55.05517	13.0
57.03435	4.6
57.07067	4.2
60.55817	2.0
62.78653	1.9
65.03925	3.3
67.05509	70.8
69.07079	17.3
71.05007	15.4
71.08643	2.2
79.05497	21.2
81.03409	2.3
81.07060	92.2
83.04968	3.3
83.08640	10.3
85.06554	6.6
91.05481	19.4
93.07053	22.6
95.04970	4.0
95.08612	37.2
97.06525	4.8
97.10177	3.2
98.20871	10.9
98.21551	3.7
99.08080	2.8
105.07013	9.1
105.07643	2.3
107.08600	12.1
109.10160	16.3
111.08126	3.9
119.08590	6.4
121.10133	6.9
123.08084	2.4
123.11742	13.1
131.08577	4.3
133.10127	14.2
135.11673	6.1
137.13232	2.2
144.07436	2.4
145.10147	2.7
147.11646	4.6
149.13252	2.9
151.11220	4.9
159.11653	3.5
161.13199	2.4
183.13719	3.1
187.13310	3.3
195.13811	2.6
201.83098	2.4
215.76639	2.5
229.48639	2.2
267.16013	4.2
269.17477	5.1
301.20041	20.9
337.27399	27.7
339.28998	3.8
341.33035	2.5
505.38925	100.0
519.40869	4.9
531.40479	10.6
563.43066	48.4
598.49384	3.6
598.63068	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	599.4096
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03939	4.6
55.05515	7.8
57.03429	1.9
57.07071	6.1
59.04990	2.0
62.60526	1.1
65.03946	2.9
67.05511	14.7
69.03435	6.7
69.07070	11.7
70.10638	4.6
71.04990	1.2
73.15352	1.2
79.05495	13.9
81.07060	19.6
83.04993	7.2
83.08636	3.8
85.06538	2.8
91.05482	25.4
93.07050	33.5
95.04974	11.7
95.08613	22.3
97.06021	1.3
97.06530	8.0
105.07040	36.4
107.04940	2.3
107.08603	23.6
109.06528	10.1
109.10159	13.5
110.22454	1.2
111.08133	3.1
113.09650	1.2
115.05472	2.7
116.06233	1.5
117.07021	6.7
119.08591	34.8
121.06544	6.0
121.10151	43.8
123.08069	12.5
123.11730	4.6
125.05990	5.1
125.09650	5.0
128.06242	4.5
129.07024	7.2
130.07788	4.0
131.08580	14.0
133.06462	3.6
133.10133	25.3
135.08057	10.8
135.11693	10.2
137.09621	7.7
139.11198	3.0
141.07013	4.0
142.07794	9.3
143.08586	20.9
144.09355	3.9
145.10126	27.7
147.08061	8.6
147.11703	8.5
149.09619	13.2
149.13258	2.0
151.07553	13.9
151.11273	1.5
153.07111	1.6
153.09119	2.1
155.08569	7.4
156.09387	6.8
157.10133	25.1
158.10921	3.5
159.08084	5.4
159.11708	12.9
161.09630	9.5
161.13319	3.5
163.11191	11.6
165.06978	2.9
165.09128	11.6
165.12770	1.2
166.07753	1.2
167.08531	3.4
167.10689	41.8
168.09340	2.4
169.10133	10.6
170.10918	4.1
171.11728	14.7
172.12483	2.3
173.09627	4.2
173.13280	10.3
174.10345	1.4
175.11230	4.3
175.14809	5.9
177.12798	3.4
179.08627	5.5
180.09428	2.3
181.10112	7.1
181.12250	13.0
182.10977	4.0
183.11723	10.5
184.08760	1.3
184.12500	2.1
185.09656	4.3
185.13280	9.1
187.11226	3.2
187.14877	4.9
189.12718	6.9
191.14355	3.6
192.09416	1.8
193.10155	6.6
193.12057	1.7
194.10959	4.2
195.11697	12.5
196.12511	3.0
197.09750	2.7
197.13293	11.2
199.11151	2.7
199.14819	6.4
201.01530	1.3
201.12738	3.6
201.16443	1.9
203.14355	6.5
205.10223	1.7
205.16028	2.3
206.10947	2.7
207.11748	7.3
207.13869	6.4
208.12543	1.8
209.13280	11.0
209.15390	3.9
210.14142	1.9
211.11324	2.7
211.14871	5.6
213.12735	4.3
213.16226	2.2
215.14336	5.7
217.15979	1.8
219.11786	4.0
219.80119	1.3
220.12436	1.3
221.13269	5.8
221.15433	26.6
222.13979	2.1
223.11189	1.7
223.14854	5.0
224.15527	1.2
225.12839	2.5
225.16382	2.9
227.14366	2.5
229.16005	2.8
231.11755	2.6
231.13823	1.9
232.12494	2.4
233.13303	5.0
233.15430	22.9
234.14011	2.0
235.14888	4.1
237.12799	2.7
237.16443	2.3
239.14311	2.0
239.18001	2.5
241.15840	1.8
245.13280	2.7
246.14034	1.7
247.14760	3.1
247.16991	2.7
248.15393	1.2
249.16486	1.6
250.17183	1.4
251.14243	1.5
255.17430	3.8
257.13193	2.2
257.19037	9.1
259.14862	2.8
261.16467	2.9
263.18097	2.3
265.16104	1.6
265.19492	1.4
267.17575	1.4
269.19336	1.7
271.14789	2.1
272.85049	1.2
273.16199	3.0
273.18796	2.1
275.17941	2.8
277.15875	1.5
277.19681	1.8
281.19034	3.4
283.20618	2.2
289.19687	1.5
291.17490	1.8
297.18823	1.5
299.20203	7.3
311.20224	4.7
343.22836	5.6
359.23972	1.7
365.24606	1.9
373.25308	1.6
373.36639	1.3
377.24866	2.2
389.25269	1.7
391.26526	4.0
417.27695	1.3
419.29694	1.3
443.29471	1.6
507.34601	6.7
545.37665	1.4
563.38818	4.5
581.40051	22.9
599.41016	100.0
600.40991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.5
54.47523	2.9
55.01870	5.2
55.05523	26.5
57.03444	18.9
57.07082	5.0
63.21331	2.4
65.03935	2.6
67.05509	68.7
69.03438	3.8
69.07082	16.1
70.80839	7.1
71.05002	6.3
77.07175	2.7
79.05498	55.0
81.03422	78.1
81.07063	68.4
83.04977	7.3
83.08622	19.6
85.06547	3.2
91.05494	44.2
93.07050	51.5
95.04986	24.3
95.08612	52.8
97.02896	2.9
97.06534	6.1
97.10180	8.1
105.07050	42.7
107.04955	10.0
107.08607	29.2
109.06503	5.8
109.10168	23.5
111.08080	9.0
117.07043	9.9
119.08604	35.3
121.06484	4.4
121.10143	29.4
123.08061	7.4
123.11691	7.6
128.70563	2.9
129.07024	13.5
131.08588	26.8
133.10136	17.5
135.08037	3.2
135.11707	12.0
137.09607	3.5
142.07765	5.7
143.08612	6.9
145.10129	14.4
147.08052	5.5
147.11656	16.5
149.09566	6.6
149.13249	9.1
155.08563	5.3
157.10143	16.0
159.11684	12.1
161.13266	5.7
163.11139	3.7
163.14832	3.5
169.10167	3.2
171.11601	3.2
173.13297	7.7
175.11203	8.8
175.14932	3.6
185.13223	4.0
189.11264	3.8
193.12274	22.9
195.11636	3.2
201.16356	2.9
211.13216	3.4
221.15273	3.3
227.12755	3.2
234.64070	2.7
243.21098	6.4
261.22122	12.3
267.15927	100.0
285.16757	4.4
301.25284	6.2
317.24838	4.1
335.25821	76.3
335.29883	3.6
435.32574	5.1
453.33365	8.2
471.35010	4.5
527.37323	65.0
529.90369	2.5
530.37585	2.7
545.38477	33.4
563.39313	4.1
598.39972	13.7
599.25305	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	598.433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60980	3.5
53.03947	5.7
55.01867	9.1
55.05511	32.3
57.03435	16.1
57.07053	5.6
67.05506	97.1
69.03423	4.0
69.07080	32.9
70.07413	3.2
71.04988	8.8
71.08627	10.5
74.79385	3.1
79.05496	62.8
81.03437	23.7
81.07062	100.0
82.07391	4.6
83.04972	16.6
83.08624	22.5
85.02917	4.7
85.06559	8.5
91.05487	54.5
93.07045	81.3
95.04969	17.0
95.08618	45.5
97.06549	17.9
97.10177	5.3
98.21535	9.3
99.08094	10.0
105.07021	31.6
107.04972	4.3
107.08585	48.9
109.06525	10.5
109.10174	19.9
111.08096	12.4
117.06990	19.5
118.98232	3.9
119.08561	28.1
121.10155	30.3
123.08128	4.6
123.11668	7.0
125.09621	5.7
127.07547	3.9
129.07004	13.1
131.08571	30.0
133.10158	27.8
135.08076	7.6
135.11716	12.7
137.09689	3.9
139.11200	3.8
143.08575	7.9
145.10168	15.8
147.11711	17.1
149.09639	6.7
149.13243	28.8
151.11208	14.9
157.10147	13.4
159.11653	20.0
161.13257	6.9
163.11217	10.7
171.11707	10.6
173.13286	7.7
177.12801	7.5
179.14307	8.7
185.13222	6.9
193.12248	12.8
195.13849	10.8
209.13252	4.5
211.13205	18.9
221.15472	4.6
227.12732	10.2
233.15363	4.7
241.19656	4.5
243.21098	4.6
259.20587	4.7
261.22192	4.3
269.17508	51.4
277.21692	12.5
285.16974	16.1
335.25946	18.0
351.25293	16.9
362.16287	3.8
392.65503	4.1
463.30591	84.3
527.37390	7.9
545.38403	56.8
563.39111	6.9
580.40527	11.7
598.41400	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55026	0.7
52.12924	1.1
53.03946	2.0
55.01877	1.5
57.03448	1.7
60.04535	1.6
61.02921	1.7
65.73243	0.8
69.03425	3.4
70.06605	2.1
79.05502	4.6
81.03419	12.9
85.02913	11.4
91.05481	2.9
95.67572	1.0
97.02906	4.0
101.38874	0.9
103.05462	1.9
105.07050	2.5
106.04205	1.0
107.04976	9.3
107.17088	0.9
109.02869	1.0
115.05453	6.4
117.07032	12.6
121.10090	0.9
121.89325	0.9
123.04428	3.0
124.05161	2.0
127.03896	1.9
129.07019	3.6
130.04172	1.6
131.04964	1.5
131.08533	2.0
133.06505	2.1
137.05965	1.5
141.07019	1.7
144.05736	2.5
145.05208	2.0
145.06494	33.1
149.05943	1.5
152.04672	1.1
153.05533	1.0
155.06024	5.0
155.07150	1.1
156.05690	5.4
157.06490	2.3
159.08063	5.4
160.05217	1.2
161.05911	4.5
162.07625	1.2
163.03976	2.0
167.07042	51.0
168.07362	1.4
172.05211	1.2
173.05991	59.1
175.07570	2.9
180.08690	5.5
181.04976	3.3
184.05275	2.3
187.07487	5.8
190.06258	38.2
191.07024	3.4
192.07693	1.0
193.08672	2.7
200.04832	1.0
201.05592	0.9
202.06256	4.0
203.07057	6.1
205.08614	100.0
207.06480	1.3
208.05156	1.4
209.08073	1.3
214.08690	1.4
215.07072	1.5
217.08611	42.1
219.08189	1.8
219.10178	4.7
223.09647	2.5
229.47217	1.3
233.08041	6.0
234.08435	4.4
235.09653	32.3
247.07619	2.4
247.09729	7.0
259.56555	1.1
263.09048	1.4
265.10724	39.2
269.08121	1.2
271.09686	1.7
276.07773	1.2
279.10141	1.7
291.10257	2.7
293.07986	1.2
307.09604	1.6
315.08798	4.5
319.09723	1.1
323.12659	1.3
330.11084	5.3
331.11661	3.1
332.27966	1.2
339.12262	1.1
343.12079	1.1
351.12405	2.6
368.12320	1.3
371.15100	2.5
383.10867	1.3
383.14975	11.7
401.16052	13.8
402.16022	1.1
418.15622	5.3
518.67889	1.2
558.35272	1.1
598.34229	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	597.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06578	2.0
52.78113	1.6
53.03953	4.3
55.01870	3.3
55.05517	13.6
57.03449	9.2
57.07069	6.6
58.31557	1.5
61.02934	29.3
67.05178	2.6
67.05508	32.8
69.03433	10.6
69.06736	2.1
69.07074	25.3
70.06580	4.7
71.04976	3.1
71.52452	3.6
73.02914	8.0
79.05498	17.8
81.03422	6.6
81.07069	90.9
83.08624	7.9
85.02916	30.3
85.06551	13.2
90.57126	1.7
91.03960	18.0
91.05491	18.5
93.07058	26.5
95.04964	5.3
95.08621	28.1
97.02892	19.9
97.06534	6.4
97.10184	3.0
99.04455	2.4
99.08106	69.8
105.07040	29.3
107.04931	2.4
107.08606	26.5
109.09485	3.2
109.10174	45.4
110.74910	1.7
113.09650	3.2
115.03901	2.3
115.05482	3.3
117.07037	11.2
119.08594	18.3
121.06492	3.0
121.10159	22.6
123.11695	6.8
125.09652	4.3
127.03915	6.4
127.11196	12.4
129.07011	8.8
129.96436	1.8
131.08577	24.1
133.10146	26.0
135.11737	10.5
137.13243	2.2
141.06934	3.1
142.07799	7.5
143.08571	15.2
145.05006	5.4
145.10129	26.5
147.04416	2.3
147.11713	25.9
149.13263	11.0
151.11185	4.1
153.12735	7.2
155.08536	7.4
157.10149	47.9
159.11710	31.5
161.13252	9.5
163.03966	3.2
163.14803	3.6
167.07091	3.5
169.10118	7.2
171.11653	12.8
173.13295	11.3
175.11151	3.1
175.14835	3.4
177.16475	2.7
181.10149	2.5
182.10678	2.8
183.11745	12.7
185.13306	13.2
187.07498	2.0
187.14796	6.3
197.13295	11.9
199.14769	10.4
201.16452	2.7
211.14827	9.9
213.16402	24.0
215.17940	4.5
223.14839	2.3
225.16347	6.8
229.15938	2.2
237.16252	2.6
239.18050	14.9
246.27322	1.8
251.17944	2.8
253.19548	55.8
255.21091	39.0
257.19058	3.3
259.78195	2.0
271.20575	34.0
273.22131	4.4
275.23901	2.2
281.22391	2.9
283.24243	24.8
363.30447	7.3
363.50238	2.0
381.31567	100.0
382.31958	2.1
399.32629	50.0
433.25897	18.4
561.37555	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	597.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03495	0.7
53.03932	2.6
53.70151	0.8
55.01868	1.7
55.05282	1.2
55.05517	15.0
57.03445	7.3
57.07065	2.8
64.98826	0.7
65.03933	2.0
67.05508	30.0
69.03420	1.9
69.07072	19.6
71.04975	1.1
71.08628	0.9
71.53202	0.8
79.05497	12.4
81.03416	2.8
81.06596	1.7
81.07061	31.8
83.04939	1.5
83.08621	9.8
85.02897	1.4
85.06538	1.5
91.05482	10.0
93.05434	0.8
93.07045	13.7
95.04962	2.6
95.08612	26.3
97.06511	2.9
97.10181	4.4
98.98476	9.7
99.08060	1.1
105.07030	11.3
107.04937	1.1
107.08595	8.8
109.02874	2.9
109.06523	1.9
109.10155	10.1
111.08049	1.3
111.11746	1.0
116.06924	0.7
117.07030	2.6
119.08591	8.2
121.10138	7.7
123.08064	1.6
123.11688	3.0
125.09621	1.3
128.06242	0.9
129.07013	3.5
131.08597	4.4
133.10124	6.6
135.08032	2.1
135.11665	3.8
137.09641	1.2
137.13297	1.2
141.06975	1.6
142.07785	1.4
143.08568	4.0
145.10136	5.5
147.08023	1.6
147.11693	3.1
149.09650	1.7
149.13266	2.0
151.14799	1.1
155.01022	1.7
155.08577	2.0
157.10117	3.6
159.11705	3.5
161.13246	2.5
163.11163	0.9
163.14900	1.3
165.09126	1.1
166.07909	0.8
167.08504	1.0
167.10712	2.0
169.10127	3.2
171.11700	2.6
173.02083	1.1
173.13287	1.7
175.14787	1.4
181.10110	1.6
182.10861	1.2
183.11679	2.5
185.13254	2.2
189.12860	1.0
193.10072	1.1
195.11696	1.7
197.13301	1.8
199.14706	1.2
205.10025	0.9
207.11751	1.1
209.13176	1.0
211.14725	1.2
213.16405	1.0
215.14348	1.0
219.11678	1.1
220.12703	0.8
221.13327	1.5
221.15347	2.1
223.14833	1.2
233.15439	1.8
235.14769	1.3
251.18062	1.6
252.16374	0.9
261.03757	3.2
263.23749	1.9
317.06335	0.8
335.07376	0.9
337.27399	100.0
338.27756	1.0
389.24323	1.2
485.32678	1.8
485.73810	0.9
488.50204	0.9
561.37225	1.0
579.40338	4.7
597.40845	18.6
623.73779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01847	1.0
57.03410	0.6
61.02918	0.9
65.03950	2.5
67.05479	0.8
68.99815	0.3
69.03436	4.7
70.06572	0.8
70.77598	0.7
71.04971	0.7
72.08134	0.4
73.02917	0.5
78.04692	0.5
79.05090	0.4
79.05492	4.2
81.03428	2.0
81.07025	0.5
82.04176	0.7
85.02435	0.6
85.02907	6.5
86.09717	0.6
91.05493	1.8
93.03407	0.9
94.04143	0.4
95.04951	1.2
97.02908	2.4
97.06522	0.9
99.04421	0.5
102.85091	0.4
103.05464	0.8
105.07016	1.1
107.04958	10.2
108.02042	0.6
109.02854	0.4
109.06502	0.4
110.03662	0.9
115.05484	1.9
116.06209	0.9
117.06992	2.8
119.08591	0.5
120.08085	0.5
121.02898	0.4
121.06455	0.6
123.04425	2.3
124.05228	1.9
125.05999	1.0
127.03909	4.9
127.05367	0.4
128.06281	0.5
129.06992	1.9
131.04912	1.1
131.08546	1.8
133.06537	1.9
137.05962	0.7
138.03108	0.7
141.07008	1.0
142.02568	1.4
143.04929	0.6
144.05672	2.6
145.04851	0.7
145.06493	4.6
147.04448	0.6
147.08023	0.8
149.05920	0.5
152.04706	0.9
153.05455	1.3
155.04922	0.6
155.06015	1.0
155.07019	1.0
156.05650	0.5
157.06494	2.5
159.04401	0.5
159.08057	2.7
160.05238	0.5
161.06018	3.4
163.03908	0.4
167.07050	33.7
171.06607	0.9
172.05199	11.3
173.06009	4.7
174.06737	0.4
175.07587	1.9
177.05447	1.2
179.07069	0.6
181.04964	36.1
185.05960	1.2
187.07555	4.8
189.05496	2.4
190.06255	1.8
191.07042	1.3
191.10661	1.1
193.04890	0.5
193.08670	0.5
195.06522	1.3
200.04706	7.1
201.05508	3.6
202.05998	0.6
203.07028	1.1
205.08589	3.5
206.05801	0.7
207.06470	0.5
207.10191	0.8
209.08072	1.3
211.06009	1.1
212.04675	0.4
213.05411	0.6
217.08583	2.1
218.05740	11.1
219.06485	1.1
219.10152	2.6
221.08089	3.4
231.06517	1.1
233.08090	100.0
234.08545	0.8
235.07635	0.9
235.09685	1.8
236.99414	0.4
245.08151	2.2
247.07524	0.8
249.09258	0.4
250.05997	0.5
251.09047	2.7
253.08580	0.5
262.06195	0.6
263.09177	31.5
264.07800	0.9
265.08389	0.7
265.10870	0.7
277.08566	1.0
279.06390	0.6
279.10144	0.9
280.07312	0.4
281.10367	2.0
289.08514	0.5
291.06546	0.9
292.07339	0.6
293.08136	0.8
294.08926	0.4
295.09659	0.5
305.08212	0.5
307.09692	1.3
309.07501	0.8
310.08734	0.4
320.06827	0.4
321.07605	0.5
322.08313	0.6
323.09036	1.1
324.10410	0.5
327.12277	0.7
331.08102	1.4
335.09207	0.7
337.10721	0.5
338.11511	0.6
339.12259	1.2
341.10419	0.4
344.12494	0.6
346.10437	1.5
352.09360	0.6
353.09943	0.6
355.11740	1.6
356.12460	0.4
367.11871	3.0
369.09622	0.5
371.15109	1.1
372.12024	1.1
373.12747	0.6
381.13409	0.7
384.12131	1.1
387.14365	5.4
399.14413	6.3
405.15741	0.9
417.15454	50.9
418.15723	0.5
419.16901	0.4
435.16489	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	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01874	1.6
55.05500	0.4
57.03423	0.8
61.02904	1.1
65.03942	2.7
65.46481	0.3
67.05474	0.8
69.03436	5.2
70.06568	1.5
71.51946	0.5
77.03885	0.6
78.04679	0.6
79.05080	0.3
79.05501	4.6
81.03053	0.3
81.03416	2.8
81.07025	0.8
82.00549	0.4
82.04181	0.8
82.89406	0.3
84.08146	0.4
85.02447	0.5
85.02908	6.9
85.06512	0.3
86.06109	0.3
86.09695	0.8
91.03976	0.4
91.05481	2.1
93.03388	0.4
95.04993	1.7
97.02901	2.4
97.06529	0.8
99.04432	0.8
103.05447	1.3
105.06995	0.8
106.04142	0.6
107.04957	10.8
108.02055	0.6
109.02877	0.7
109.06503	0.5
110.03620	1.3
115.05463	2.7
117.07056	2.3
119.08587	0.5
121.06514	0.8
122.03709	0.3
123.04416	2.4
124.05209	2.2
125.05978	1.1
127.03921	4.8
127.05419	0.3
128.06187	0.9
129.07027	2.1
129.86639	0.3
131.04915	1.1
131.08562	1.7
133.06493	2.1
134.03648	0.4
136.07581	0.5
137.05969	1.0
138.03075	1.1
140.04607	0.4
141.06967	1.2
142.02621	1.2
143.04901	0.8
144.05695	2.4
145.04889	0.4
145.05348	0.5
145.06491	5.3
147.04456	0.8
147.08017	1.3
149.05954	0.7
152.04691	1.0
153.05476	1.2
155.04912	0.7
155.06038	1.4
155.07100	0.5
156.05704	0.6
157.06477	2.9
159.04509	0.8
159.08092	2.5
161.05991	4.1
163.03868	0.5
165.05470	0.4
167.07042	32.6
169.87601	0.4
171.04356	0.5
171.06490	1.0
172.05211	12.5
172.06714	0.6
173.06012	4.1
174.06660	0.5
175.03960	0.5
175.07520	2.7
177.05467	1.1
177.09125	0.4
179.07068	0.4
181.04962	38.3
183.06563	0.7
185.06053	0.7
187.07567	4.3
189.05464	2.9
190.06241	1.5
191.07043	1.3
191.10695	0.9
193.05005	0.5
193.08658	0.4
195.06511	1.3
200.04700	7.8
201.05469	3.4
203.07050	1.2
204.07903	0.7
205.06770	0.6
205.08583	4.0
206.05753	1.3
207.06523	0.7
207.10135	1.1
209.08112	1.5
211.05975	0.9
213.05397	0.8
217.08548	1.8
218.05736	11.9
219.06477	1.7
219.08269	0.6
219.09959	2.2
221.08047	3.4
231.06541	1.1
233.08087	100.0
234.06619	0.4
234.08633	0.8
235.07660	0.5
235.09676	1.7
245.08144	2.2
246.06752	0.3
247.07558	1.2
249.09193	0.7
251.09137	2.7
261.09216	0.7
262.06226	0.5
263.09180	32.3
264.07751	1.5
265.10776	0.7
276.71503	0.3
277.05182	0.4
277.08670	0.8
279.10181	1.1
280.07404	0.5
281.10541	1.6
291.06693	0.7
292.07288	0.4
293.08194	0.6
294.08975	0.4
295.09592	0.5
306.08807	0.7
307.06201	0.3
307.09628	1.2
309.07529	0.6
309.11154	0.3
311.09268	0.6
322.08353	0.5
323.09079	0.9
324.09674	0.8
325.10638	0.6
327.12326	0.5
331.08014	1.6
337.07175	0.4
337.10767	0.5
338.11707	0.4
339.12387	1.4
345.10068	0.5
346.10559	1.1
352.09250	0.4
353.10059	0.8
355.11682	1.0
356.12405	0.4
367.11957	2.9
368.12845	0.4
369.09799	0.5
371.14972	1.3
372.12009	0.8
373.12991	0.7
381.13309	0.7
384.12070	1.0
387.14401	4.7
399.14468	5.8
401.16074	0.7
405.15381	1.0
417.15448	53.3
418.15866	0.4
419.16910	0.4
435.16434	2.4
528.40942	0.5
597.23053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01174	2.9
54.75447	2.9
55.01862	3.8
55.05518	19.1
57.02583	3.0
57.07086	15.5
61.02916	8.3
67.05510	31.6
69.03422	10.6
69.07072	62.6
69.38617	2.7
69.86111	3.0
70.62805	7.1
70.63139	2.9
71.04972	3.1
71.08624	3.7
79.05483	13.1
81.02026	3.4
81.03398	11.4
81.07066	100.0
83.04989	4.1
83.08630	31.8
85.02911	34.9
85.06541	14.5
87.00828	10.8
91.03947	8.0
91.05479	10.6
93.07043	24.8
95.04977	3.1
95.08612	80.7
97.02882	12.3
97.06560	6.5
97.10181	22.0
99.04382	3.1
99.08095	7.0
105.01867	13.2
105.07031	13.9
107.08583	29.1
109.02897	5.2
109.06461	4.0
109.10161	54.5
111.08096	6.6
111.11738	20.6
117.06984	3.6
119.08572	11.7
121.10154	19.0
123.11725	33.5
125.09582	4.7
125.13271	14.4
127.03908	13.0
131.08583	3.4
133.10109	4.2
135.11700	12.9
137.09604	4.9
137.13258	30.1
139.11154	3.5
139.14803	3.3
145.04947	10.0
145.10112	9.2
147.11746	14.1
149.13274	36.1
151.14810	14.8
153.12794	4.4
155.14296	10.0
159.11711	9.4
161.13275	39.9
163.11195	9.5
163.14804	8.5
165.16403	9.6
167.14343	20.3
169.08670	4.0
169.15837	3.7
171.11771	4.0
177.16331	7.4
179.17961	5.3
191.10765	4.1
193.19527	4.2
207.13933	3.2
209.11734	4.1
213.16476	4.3
219.21007	3.0
227.12846	6.1
249.06157	3.6
249.25697	4.0
255.21037	13.1
273.22125	47.6
275.27338	17.2
293.28381	44.2
311.29459	10.2
317.06482	11.5
353.16040	3.1
376.06580	3.4
397.30960	19.7
415.32150	22.8
433.25781	3.1
552.59998	3.6
577.37891	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	596.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.8
55.01876	3.9
55.05515	19.0
56.74945	1.8
57.03429	4.3
57.07070	3.5
58.71156	2.1
65.03956	2.0
67.05509	80.2
68.07806	1.8
69.03424	2.8
69.07077	14.4
71.04989	3.7
73.02909	3.2
79.05492	40.4
81.03413	6.8
81.06590	4.3
81.07059	79.6
83.04981	2.8
83.08625	10.5
85.02916	4.5
85.06559	2.7
91.05482	30.1
92.69742	2.3
93.07050	53.7
95.04968	4.3
95.08609	67.3
97.06554	4.8
97.10163	3.7
99.04452	2.9
99.08102	3.3
105.07035	24.2
107.08599	37.8
109.02894	2.7
109.06583	2.3
109.10169	34.8
110.03670	3.7
111.08080	2.5
117.07018	10.6
119.08589	20.1
121.10153	37.6
123.08096	2.3
123.11694	15.9
127.03945	3.9
129.07008	2.1
129.90939	1.9
131.08586	21.0
133.10161	16.6
135.11694	30.8
137.09540	2.0
137.13272	6.5
139.11244	2.8
145.10115	19.8
147.11679	13.7
149.02394	2.2
149.09608	2.8
149.13271	23.1
151.11092	2.2
151.14836	2.2
159.11681	16.1
161.13222	11.9
163.14842	18.8
165.12740	4.5
173.13275	16.3
175.14839	3.6
177.12939	2.6
177.16402	7.0
179.14343	3.9
187.14848	8.0
191.14386	2.6
201.16383	2.9
233.22575	2.6
243.21078	35.4
243.23409	3.3
261.22144	100.0
279.23306	4.5
322.23190	2.3
335.25824	30.3
353.26956	48.9
369.24136	2.4
451.21323	2.7
469.22656	2.2
500.69482	2.4
561.27014	10.9
596.39423	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41345	3.6
55.05497	15.0
57.07082	5.7
60.05666	8.6
60.08162	4.0
65.03920	5.2
67.05174	5.8
67.05506	62.6
69.07056	17.0
71.04992	12.0
79.05512	20.2
81.07063	67.3
83.04978	3.7
83.08614	13.2
85.06547	6.9
91.05479	23.2
93.07030	29.2
95.08608	30.3
105.07021	16.6
107.08608	18.2
109.10165	19.2
117.06980	6.5
119.08566	14.9
121.10126	14.6
123.11680	10.6
129.06937	4.2
131.08574	13.1
133.10101	12.6
135.11644	11.7
143.08559	7.9
145.10141	18.2
146.10451	6.3
147.11734	5.0
155.08536	4.1
157.10165	5.6
159.11682	10.0
169.10168	6.6
171.11708	3.9
187.14783	3.6
199.14853	6.6
201.16359	4.6
229.72632	3.6
261.22101	5.4
269.17566	6.7
301.20081	13.4
335.25839	26.0
435.22195	3.6
481.14856	3.3
503.30606	5.3
503.37338	83.4
518.09753	3.6
522.43713	7.8
540.44281	5.0
561.41589	44.4
578.46320	6.3
596.47852	100.0
596.58673	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	597.1454
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.03929	0.3
57.03444	2.6
59.04987	0.4
61.02932	1.4
65.03928	0.6
67.05495	0.3
68.99807	0.3
69.03436	7.7
70.06582	1.1
70.51479	0.7
72.08153	0.6
73.02914	0.8
75.04458	0.3
75.59575	0.2
75.91473	0.2
79.05498	0.6
81.03410	0.7
84.04496	0.3
84.08113	0.8
85.02911	5.7
86.09701	0.6
87.04472	4.9
91.03958	1.1
91.05478	1.0
93.03388	0.5
93.07056	0.5
95.04964	0.5
97.02895	5.4
103.05453	0.3
106.04166	0.9
107.04937	0.4
109.02883	0.8
110.07202	0.3
111.00808	0.6
113.25320	0.3
115.03947	6.0
120.08147	0.3
121.02832	0.6
121.06536	1.4
125.05972	0.4
127.03944	0.9
129.10286	0.3
131.04904	0.3
133.04971	4.5
135.04459	0.3
136.07677	0.3
137.02330	3.0
145.02795	0.3
145.04941	0.4
149.02382	0.4
149.05992	1.6
153.01836	3.5
153.09058	0.5
161.05899	0.3
163.03889	0.6
165.01845	2.1
167.07089	1.2
167.10696	0.3
167.22209	0.3
173.05994	0.3
177.05464	0.7
181.05034	0.8
181.08609	0.9
183.02866	0.7
183.04346	0.3
187.03893	0.4
195.02927	0.3
201.05414	1.8
209.08109	4.0
213.05417	0.3
222.14949	0.2
223.04211	0.3
229.04984	3.8
233.08012	0.7
238.98051	0.3
247.06094	0.9
257.04480	2.4
259.08133	0.3
274.04724	0.8
277.09045	0.3
285.04037	1.6
303.05002	100.0
304.05182	0.6
315.04868	0.7
341.06656	0.3
345.06113	0.7
369.06097	0.7
381.06403	0.4
417.15421	0.7
419.02100	0.3
465.10486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1821
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.03954	3.9
53.89862	2.4
55.01880	8.8
57.03434	4.0
65.03938	4.0
67.05502	2.8
69.03426	7.7
69.33874	6.0
69.34287	19.3
69.56614	3.0
70.06595	10.3
72.08168	4.5
79.05510	8.6
81.03416	9.9
81.07097	3.2
83.04963	4.1
83.45821	2.5
84.04506	3.3
84.08142	4.0
85.02902	28.8
91.05469	7.0
93.03397	16.6
95.01339	2.7
95.04968	6.3
95.06046	2.9
97.02907	17.0
98.20767	5.6
103.03915	2.8
105.03391	4.5
105.07041	4.7
107.04968	36.8
109.02890	12.4
110.03622	3.1
111.04465	4.7
117.07066	4.3
119.04948	8.3
121.02876	23.4
121.06511	6.9
123.04460	14.0
127.03952	4.3
129.06950	3.7
131.04935	8.2
133.06509	5.8
133.74451	2.8
135.04433	22.6
136.07520	2.6
137.02321	3.8
139.03920	9.6
140.95979	2.6
145.02913	3.0
145.06506	6.4
147.04373	19.4
149.02316	6.0
149.05975	3.9
151.03897	7.0
153.01869	6.3
157.06497	5.0
159.04475	9.5
161.02286	3.5
161.06015	6.5
163.03877	6.9
165.01863	12.8
167.07043	46.9
168.07452	5.5
171.04507	3.6
172.05240	4.6
173.02383	6.5
173.06032	12.5
175.00343	4.6
175.03862	4.7
175.07574	4.9
177.01859	23.0
177.05501	10.8
179.03368	3.5
181.04974	31.1
182.05325	6.8
183.02962	3.2
187.03922	9.4
187.07533	3.8
189.01831	23.0
189.05493	7.6
191.03339	16.0
195.02899	31.3
199.66846	3.1
201.01849	9.2
201.05450	13.8
203.03426	16.7
205.01355	10.2
205.05035	3.4
207.02921	53.7
213.05449	4.6
215.03423	11.4
217.04974	5.3
218.05626	4.8
219.02901	100.0
221.04465	5.3
223.02386	10.7
225.03926	17.4
227.03433	7.2
229.04987	18.6
231.02907	51.0
233.04474	21.6
233.08046	28.9
237.03952	24.4
239.03508	3.4
241.04967	6.2
243.02888	30.2
243.06459	4.8
245.04460	9.5
247.02655	2.7
247.05952	6.1
249.03905	14.8
255.02876	11.6
257.04483	16.6
261.03952	99.6
263.09183	12.4
267.02930	4.4
269.04465	6.2
271.06006	6.4
273.03955	51.2
279.04971	4.3
281.04245	3.1
285.03925	57.9
289.03363	5.7
291.05020	22.6
291.07779	3.5
297.03989	16.3
297.07574	13.8
299.05481	11.6
303.05005	35.7
309.04041	3.5
309.07462	9.8
315.04999	12.2
321.06039	22.0
327.05005	50.2
327.08624	24.3
339.08215	34.3
345.06122	11.9
351.04974	3.4
351.08524	13.3
357.06042	9.4
357.09897	5.0
363.07065	36.2
367.11545	4.2
369.05966	5.9
375.07233	6.5
381.09695	35.3
387.06934	9.0
393.09677	29.0
399.14554	6.8
405.08459	39.9
409.09628	2.9
411.10919	13.1
417.10104	5.9
417.15393	23.5
421.05441	9.7
423.10361	27.1
429.11850	35.3
441.11160	40.8
447.10764	25.8
459.12857	36.0
463.06750	3.6
465.11639	10.1
477.11609	13.2
483.12686	13.3
489.12225	3.9
495.13058	17.4
507.13193	14.5
525.13995	12.2
543.15002	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	595.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03949	1.7
55.01868	2.8
55.05518	8.2
57.03438	4.9
57.07048	1.5
61.02929	20.3
64.66489	1.1
65.03947	2.0
67.05180	1.6
67.05511	23.0
68.23821	0.9
69.03426	5.8
69.07060	8.2
69.34481	6.6
69.34889	1.8
70.06582	1.1
71.01375	1.1
71.04981	1.9
73.02919	4.7
79.05495	21.0
81.03420	6.5
81.07057	20.9
83.04962	3.0
83.08611	4.5
85.02917	19.3
85.06529	1.6
91.03967	7.8
91.05483	29.5
93.07050	17.1
95.04984	4.7
95.08054	1.7
95.08607	12.6
97.02895	9.7
97.06545	3.9
97.10165	3.4
98.09710	2.5
99.04475	1.5
103.05470	3.1
105.07040	19.0
107.04941	3.6
107.08592	8.4
109.02888	2.0
109.06489	2.6
109.10149	6.9
111.08091	3.4
115.05452	4.0
117.07018	22.2
119.05038	1.4
119.08593	16.2
120.08094	1.3
121.06502	3.8
121.10165	9.9
123.08071	2.3
125.09634	1.5
127.03953	2.5
128.06218	4.7
128.99020	1.1
129.05490	1.3
129.07008	20.8
131.08575	24.2
133.06458	3.7
133.10120	9.7
135.04436	1.4
135.08060	2.8
135.11687	4.5
137.09628	2.4
139.11150	1.0
141.07014	10.3
142.07780	1.9
143.08566	11.7
144.09337	1.0
145.04936	1.7
145.06496	4.4
145.10123	12.1
147.08017	5.1
147.11713	5.1
149.05971	1.2
149.09637	5.1
149.13235	1.4
151.11159	1.5
153.07005	2.0
154.07774	1.5
155.08574	12.9
156.09317	1.3
157.06429	2.2
157.10127	12.0
159.08054	3.3
159.11696	11.3
161.09663	4.6
161.13344	1.4
163.11195	3.5
165.06969	2.1
165.09111	2.5
167.07283	1.2
167.08481	5.3
169.10143	12.5
171.08006	2.0
171.11699	16.9
173.05986	1.1
173.09619	4.6
173.13275	4.5
175.07555	1.8
175.11195	3.0
177.09126	3.4
177.12796	1.8
179.08574	3.9
181.10123	6.1
183.08127	2.1
183.11719	14.2
185.09644	5.4
185.13245	6.5
187.11182	8.4
189.11235	1.5
189.12801	2.4
191.10725	1.7
193.10063	2.7
195.11688	5.3
197.09648	3.5
197.13293	5.7
199.11156	4.3
199.14836	1.9
201.12802	3.0
201.16350	1.5
205.10188	1.5
207.11783	3.2
209.13245	3.3
211.11200	8.0
211.14848	4.0
213.12772	3.4
215.10670	1.4
215.14330	1.9
217.12129	1.4
219.11781	1.7
219.13800	1.2
221.13283	4.4
223.11101	1.3
225.12810	3.2
227.14415	1.3
229.12349	2.3
229.14340	1.9
239.14357	2.0
243.13681	1.4
245.13409	1.6
257.15454	2.1
277.19583	3.6
287.17859	1.4
295.20602	10.7
297.22141	2.9
305.19012	3.9
313.21582	14.1
315.23291	3.0
323.20047	19.9
323.23511	1.8
331.22449	1.8
341.21088	20.9
359.22162	7.6
368.18054	1.2
369.24509	1.3
387.25018	1.3
397.23590	5.1
415.24802	100.0
416.25192	1.6
430.57263	1.2
433.25891	38.2
559.29230	2.2
577.30206	2.4
595.30603	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	595.166
Annotation	Tectorigenin 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
55.01870	0.2
57.03438	2.0
57.92725	0.2
59.04996	0.4
61.02931	1.4
64.42602	0.2
67.05479	0.2
69.03433	6.5
69.97910	0.6
70.06586	0.2
70.30563	0.2
71.18371	0.2
73.02917	0.3
77.51142	0.2
79.05462	0.2
81.03403	0.5
81.07058	0.4
83.04932	0.2
85.02905	5.0
87.04476	4.2
91.03950	0.7
91.05459	0.3
91.65881	0.2
95.04962	0.6
97.02301	0.3
97.02894	4.5
105.07030	0.2
107.04958	0.6
115.03181	0.3
115.03940	3.9
121.02864	1.8
123.04370	0.3
124.01570	0.3
125.02338	0.4
127.03954	0.4
133.04979	3.5
139.03905	0.2
145.04965	0.4
147.04378	0.2
151.03937	0.5
161.13353	0.4
167.03416	2.1
169.05077	0.2
179.03409	1.2
181.04961	0.3
197.04530	0.4
198.05086	0.2
212.04689	0.4
227.07126	0.7
228.33003	0.2
245.08194	0.2
255.06586	0.4
257.04572	0.5
258.05249	4.1
259.08194	0.3
272.06952	0.5
273.22073	0.3
285.07584	0.5
286.04758	3.6
286.07733	0.3
301.07071	100.0
302.07458	0.6
313.06995	0.4
343.08231	0.4
367.08151	0.2
416.14767	0.2
462.49582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52786	0.5
61.89675	0.5
69.36058	3.0
69.36470	1.1
72.86691	0.5
74.02436	0.6
82.08424	0.5
84.04498	0.5
91.05484	0.6
91.15884	0.5
95.64840	0.5
97.02935	0.5
98.06061	0.6
103.05477	0.6
103.21692	0.5
107.04941	2.1
115.05403	1.1
117.05767	1.0
117.07006	1.3
118.06548	15.9
130.06522	2.0
132.08107	4.6
135.08044	0.9
135.91348	0.5
142.06503	1.0
143.07285	2.2
144.07010	1.1
144.08089	12.0
146.06017	61.6
159.09183	5.2
160.07642	0.7
163.07533	2.3
167.07036	2.3
169.46358	0.5
170.06009	5.0
176.92596	0.5
188.07079	100.0
189.07402	1.5
190.07617	1.0
191.92152	0.5
195.10150	3.1
205.09737	50.8
206.10052	1.2
211.09695	1.2
391.13467	0.6
465.21082	0.5
614.01526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2558
Annotation	Salasol B
Peak:m/z	Relative Intensity
55.05504	0.6
57.07070	0.5
67.05501	2.0
78.65948	0.5
79.05502	1.4
81.07059	1.5
89.68356	0.5
91.05486	1.0
93.07025	0.9
98.20757	1.4
105.07028	0.9
119.08598	0.9
121.10123	0.7
131.08580	0.5
179.14294	0.5
283.15576	0.7
289.18057	0.9
360.27005	0.5
375.16254	0.6
377.17551	0.9
390.18619	0.7
391.14920	0.7
391.19281	2.0
392.20108	1.1
393.20807	2.0
404.16153	0.8
404.36359	0.5
405.16434	3.2
405.21298	1.6
406.17679	0.8
407.17990	0.8
407.22885	3.0
418.17685	1.1
419.18655	4.6
420.19492	2.3
421.20187	2.7
433.16095	2.1
433.21420	4.2
434.21179	4.1
435.21878	6.3
447.17236	3.5
448.18936	1.1
449.19751	2.9
461.19470	1.8
462.20648	7.1
463.20975	4.2
465.23120	0.5
475.21426	1.5
479.21185	1.6
489.22510	0.9
493.22131	0.8
494.23120	0.6
507.24716	6.8
535.23462	25.0
560.36810	1.0
567.25940	2.4
595.25562	100.0
596.26349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55190	1.1
53.03937	1.8
55.01864	1.3
55.05515	10.0
57.03455	8.2
57.07073	1.1
61.72127	1.0
65.03930	1.2
67.05506	38.1
69.07072	9.2
71.05003	1.7
73.71201	1.1
79.05068	2.1
79.05495	21.2
81.03427	6.9
81.07063	33.1
83.04993	2.0
83.08616	5.0
85.02890	1.7
85.06585	1.2
91.03885	1.2
91.05489	14.0
93.02026	1.1
93.07047	21.1
95.04980	2.9
95.08610	23.4
97.06520	2.4
97.10172	1.1
98.98463	10.3
105.07049	7.5
107.04944	2.4
107.08591	11.1
109.02885	3.2
109.06512	1.7
109.10148	7.6
111.08059	1.6
117.07059	2.7
119.08576	6.4
121.10169	8.2
123.11697	3.9
126.82108	1.1
128.30176	1.0
129.65999	0.9
130.74380	1.1
131.08553	5.5
133.10136	6.9
135.11732	6.4
138.74666	1.0
141.06963	1.1
142.07791	1.3
145.10110	5.0
147.11682	2.6
149.13268	1.7
151.11220	1.2
155.01048	1.6
157.10103	1.3
159.11685	2.6
160.23161	1.2
160.66867	1.0
161.13272	2.7
173.09636	1.2
195.53860	1.0
200.93478	1.1
261.03748	3.9
261.22089	2.3
282.62210	1.2
335.25812	100.0
441.86884	1.2
595.39197	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	595.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03936	3.7
55.01880	6.5
55.05512	14.3
57.03451	7.4
57.07100	1.3
61.02930	29.0
65.03947	2.4
67.05508	28.7
69.03425	9.6
69.07077	12.7
69.53595	2.2
69.54004	7.4
70.06577	2.1
71.01381	1.5
71.05034	2.9
73.02916	7.3
79.05498	27.8
81.03432	8.9
81.07062	31.8
83.04975	6.0
83.08182	1.7
83.08617	10.8
85.02912	22.9
85.06535	4.4
91.03962	14.3
91.05482	40.7
93.07046	28.1
95.04983	9.4
95.08613	16.1
97.02894	16.5
97.06543	7.7
97.10181	2.6
99.04406	1.9
103.05465	3.7
105.04536	1.5
105.07038	28.9
107.04944	8.5
107.08576	10.7
109.06519	4.8
109.10162	6.3
111.08089	3.9
115.05456	3.4
117.07021	25.0
119.04960	2.3
119.08590	16.7
121.06522	9.5
121.10170	10.2
123.08063	5.8
125.09653	2.7
127.03927	4.4
127.07594	1.4
128.06204	7.7
129.05505	1.9
129.07014	36.9
130.07866	1.7
131.04922	2.7
131.08572	33.1
133.06459	7.2
133.10126	8.3
135.08078	8.9
135.11661	2.4
137.09630	3.9
139.07507	1.6
141.06981	18.8
142.07808	3.8
143.06955	1.8
143.08568	18.7
145.04933	3.0
145.06511	8.2
145.10120	13.9
147.08087	5.8
147.11661	3.8
149.09634	15.0
153.07005	2.5
154.07843	3.1
155.08557	19.3
157.06500	3.5
157.10124	11.1
159.08069	5.8
159.11699	7.9
161.09657	3.1
161.13271	1.5
165.07098	2.6
167.08578	10.7
169.10109	14.4
171.08061	4.9
171.11652	9.9
173.09612	6.2
173.13226	5.3
175.09801	1.6
175.11240	4.5
175.14844	1.9
177.09042	2.1
177.12700	1.4
178.07727	1.7
179.08652	7.2
181.10138	12.0
183.08060	1.8
183.11696	14.1
185.09630	5.9
185.13275	7.7
187.11133	6.5
187.14886	2.7
189.09177	1.9
189.12744	3.1
191.08549	2.0
193.10141	7.2
193.11739	1.3
195.11703	11.5
197.09671	3.7
197.13301	8.7
199.11189	4.4
199.14801	2.7
201.11151	2.3
201.12750	3.8
203.14323	2.7
205.10249	3.4
205.12115	2.7
207.11728	8.4
209.13307	7.3
211.11194	9.6
211.14806	5.6
213.12784	6.0
215.14394	9.1
219.11772	3.7
221.13326	9.1
223.11244	3.5
225.12756	12.7
227.14410	1.9
229.12247	3.4
233.15337	1.8
237.12810	1.6
239.14348	6.4
243.13857	3.1
255.14023	2.0
257.15396	4.5
258.70633	1.3
269.39197	1.6
277.19559	3.6
287.17972	2.5
295.20566	6.8
303.09607	1.4
303.15848	1.9
305.19125	12.8
313.21509	9.1
323.20041	51.6
341.21124	32.4
349.24283	1.8
359.22174	9.1
377.23178	1.4
387.25586	2.5
397.23776	9.1
407.63699	1.4
415.24811	100.0
416.25290	1.7
433.25876	70.8
559.28778	2.2
577.29706	2.8
595.30750	7.8
602.11139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
52.88857	0.4
53.03929	1.8
55.01879	2.8
55.05513	15.8
57.03431	3.3
57.07053	0.6
59.04992	0.8
61.02925	3.6
65.03928	0.8
67.05506	7.2
69.03085	0.8
69.03431	10.2
69.07070	20.4
70.06586	1.1
71.04980	1.9
72.08145	0.8
73.02928	1.0
79.05500	7.6
81.03421	10.7
81.07061	10.2
83.04985	1.4
83.08624	29.8
85.02906	17.2
85.06535	0.9
86.09720	0.6
87.04461	1.2
87.07623	0.7
87.08112	7.4
91.03981	2.5
91.05475	8.8
93.06477	0.8
93.07045	9.7
95.04958	2.8
95.08608	11.1
95.94465	0.5
97.02893	9.4
97.06520	1.8
97.10165	1.1
97.27338	0.4
99.04464	2.3
99.08086	0.7
100.11254	1.4
105.07037	16.7
107.04949	1.5
107.08601	9.9
109.02886	3.7
109.06526	1.7
109.10159	4.6
111.04438	1.0
111.07384	0.7
111.08089	9.7
111.11741	0.6
113.09655	0.9
115.05472	0.6
115.07629	0.5
117.07019	3.1
119.04961	3.6
119.08590	12.2
121.06493	1.5
121.09333	0.7
121.10152	9.4
123.04459	0.8
123.08094	4.5
123.11721	2.5
127.03922	4.8
127.82572	0.5
129.07042	1.1
129.09123	21.2
131.04866	0.5
131.08580	4.1
133.10135	8.2
135.08081	1.3
135.11702	5.9
137.09618	1.7
137.13258	0.9
138.81790	0.4
139.07562	0.5
139.11172	5.6
141.12766	0.5
143.08540	1.8
143.41997	0.5
145.04947	3.1
145.06485	0.7
145.10130	8.3
147.04424	2.8
147.08043	1.6
147.11699	16.2
149.09616	0.8
149.13281	3.3
151.11218	1.2
154.12262	0.7
157.10114	1.6
159.11707	9.9
161.09665	1.3
161.13261	66.1
163.03931	0.6
163.11189	3.1
163.14868	1.0
165.09077	2.2
167.07028	0.6
169.10138	1.1
171.11705	1.7
173.05997	1.1
173.13283	5.1
175.03888	4.9
175.11174	0.6
175.14832	1.0
177.12784	1.1
181.12289	2.8
185.06009	0.7
185.13257	2.5
187.14857	2.0
189.16396	1.3
193.12268	1.2
196.13449	0.7
197.06007	1.1
197.13307	0.7
199.03944	0.6
199.14822	3.0
201.16399	1.0
203.17879	1.3
205.12213	0.6
207.06538	10.5
207.10037	0.5
211.13167	0.7
213.05534	1.6
213.09508	0.5
213.16444	2.1
215.17989	1.4
217.04976	1.0
225.05490	1.0
227.07066	1.0
227.17924	1.0
239.06990	0.8
239.12837	0.5
255.21100	31.2
257.22650	0.9
267.16046	0.9
271.20578	0.6
273.22134	100.0
274.22369	0.7
283.09079	0.5
285.25797	3.9
291.09979	0.6
309.11258	1.5
327.12335	0.6
337.14328	1.1
357.20609	0.8
383.14920	0.7
395.33328	0.9
411.17914	0.7
413.34326	2.8
429.33722	0.7
431.35242	64.5
432.35580	0.9
435.27371	4.3
501.22684	0.8
519.24109	0.7
541.98914	0.7
557.28339	0.7
575.27002	2.1
593.28076	5.5
593.40656	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	594.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19284	2.0
55.01863	3.9
55.05514	16.5
55.09946	1.7
57.03426	8.2
67.05512	21.5
69.07059	5.0
70.57169	3.6
70.57508	3.2
71.04971	3.3
79.05495	21.3
81.03419	48.4
81.07053	20.5
83.04955	3.5
83.08624	11.9
85.02886	2.4
85.06532	2.5
91.05478	23.4
93.07041	18.0
94.07399	1.7
95.04960	22.2
95.08607	9.8
97.02913	2.6
97.06506	5.9
97.10175	16.3
105.07034	16.4
107.04986	11.9
107.08590	11.4
109.06512	8.0
109.10151	6.1
111.04403	2.0
111.08071	4.9
117.06994	5.4
119.08582	12.6
121.06500	11.3
121.10127	7.7
123.08041	3.2
125.09636	13.8
129.07005	8.0
131.08557	7.9
133.06479	5.0
133.10152	6.2
135.08043	6.6
135.11702	2.7
137.09612	3.0
143.08595	3.4
145.06480	5.4
145.10149	4.4
147.08095	4.5
147.11684	5.5
149.09587	5.2
153.09091	3.8
155.08527	2.9
155.92773	2.0
157.10078	6.0
159.08061	2.3
163.11160	5.4
169.10057	2.4
171.08037	2.2
171.11694	3.1
173.13184	2.1
175.11192	7.2
189.11252	5.1
193.12277	13.7
195.11665	1.9
197.13200	2.4
205.12329	1.9
215.14246	2.2
219.13791	4.0
227.12701	2.5
233.15198	3.4
237.12552	3.0
255.13802	2.9
267.15939	35.6
272.20984	1.7
273.14883	6.5
339.23218	3.9
349.21384	3.7
367.22726	10.3
385.23727	25.9
403.24771	8.8
441.26245	10.0
459.27429	100.0
477.28467	84.5
491.30219	12.7
509.31207	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	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93695	2.3
53.03951	4.5
55.05514	29.9
56.06889	2.2
57.03489	2.9
57.07064	11.6
59.05003	18.2
67.05168	3.6
67.05508	26.7
69.03427	7.1
69.07072	91.8
70.03413	10.2
71.04990	3.7
71.08626	3.4
79.05502	15.1
81.03427	11.8
81.07059	94.4
83.04971	4.0
83.08625	40.8
83.68540	2.5
85.02907	8.5
85.06560	6.0
87.00820	3.3
91.05491	14.3
93.07049	26.2
95.04942	3.8
95.08616	100.0
97.02899	5.3
97.06580	4.2
97.10188	16.2
99.08102	11.7
105.01848	5.4
105.07027	14.8
107.08601	28.9
109.02909	3.1
109.10162	61.5
111.08099	6.8
111.11710	22.3
114.96717	2.5
117.07006	4.3
119.08571	12.0
121.10151	31.1
123.04448	2.9
123.08040	3.4
123.11708	53.2
124.91366	2.8
125.09623	4.2
125.13281	7.6
127.03835	3.8
131.08571	3.7
133.10159	6.5
135.08017	2.3
135.11688	27.7
137.09628	3.1
137.13269	37.8
137.55177	2.5
139.11166	4.0
147.11682	9.7
149.13263	28.7
151.14859	10.0
153.12738	2.7
155.86226	2.5
157.10255	2.3
159.11633	2.7
161.13252	10.2
163.14818	18.0
165.16400	9.4
167.14273	2.7
177.16391	12.5
189.16460	4.8
191.17920	7.5
192.02652	2.3
193.19478	2.6
198.41650	2.6
203.17986	8.7
205.19470	5.4
217.19511	4.0
233.22701	2.9
251.23701	9.6
255.21365	2.8
261.25806	32.6
263.17297	2.7
273.25812	29.0
276.15759	2.4
279.26837	63.0
291.26828	61.8
309.27890	27.4
331.07901	2.6
381.27759	4.0
409.40491	2.5
503.30020	4.8
575.27118	2.9
593.27771	10.9
593.36963	3.9
595.77338	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	593.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38174	0.3
55.05516	1.9
57.03441	0.8
57.07063	0.7
67.05502	1.4
69.07079	2.7
71.08614	0.5
71.12957	0.9
79.05487	0.7
81.07059	1.9
83.08618	2.4
85.10165	0.5
91.05450	0.4
93.07044	1.3
95.08593	1.0
97.06536	0.5
97.10159	1.4
98.20737	0.4
105.07010	0.4
109.10090	0.4
119.08583	0.7
121.10130	0.6
121.35289	0.4
130.04893	0.4
149.09563	0.5
157.10048	0.4
158.54050	0.4
191.81715	0.4
233.11534	0.8
283.15195	10.9
295.81927	0.5
311.25726	1.5
339.17822	3.2
403.19092	0.6
417.20850	0.9
418.21808	0.6
419.22116	1.2
431.18472	1.3
433.23859	1.7
445.20108	1.6
446.20966	1.0
447.21732	0.8
460.22491	3.0
461.23505	2.3
505.22366	1.3
533.25500	8.2
593.27460	25.5
593.40033	100.0
594.40118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
70.76705	0.4
70.77012	0.5
73.95463	0.3
87.98368	0.3
123.12859	0.3
196.99597	0.3
207.09288	0.3
387.15875	0.4
389.17581	1.1
401.17941	0.4
402.18124	0.7
403.19342	2.3
404.19983	0.8
405.20923	1.8
416.15784	0.5
416.20551	0.6
417.16788	0.9
417.21414	3.8
418.21906	1.7
419.22406	3.6
430.17999	1.1
431.18304	8.1
432.19495	1.4
433.24252	5.8
434.24695	0.9
445.19962	9.1
446.20834	5.1
447.21680	5.0
449.23502	0.5
453.55280	0.3
459.21561	3.6
460.22638	11.3
461.23404	9.3
462.20181	0.5
463.21463	0.5
464.21835	0.4
473.23709	2.0
474.24191	0.6
476.26120	0.7
477.22955	0.7
487.25052	0.8
491.24280	1.2
492.25214	1.2
493.26208	0.4
505.22028	6.2
518.23352	0.5
519.23749	0.8
533.25549	26.8
534.25903	0.7
561.24738	0.6
564.23669	0.9
565.28192	0.9
593.27625	100.0
594.28558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88977	0.3
69.26276	2.8
85.60194	0.3
110.85283	0.3
130.25423	0.3
224.37044	0.3
267.02570	0.3
310.15570	0.3
387.16217	0.5
388.16519	0.5
389.17603	0.9
391.19260	0.4
401.17413	0.4
402.18384	0.9
403.19202	3.1
404.19995	0.6
405.20792	1.4
406.21552	0.4
407.43924	0.3
416.20258	0.4
417.16132	0.8
417.21390	4.0
418.21866	2.0
419.22458	3.1
430.17889	1.3
431.18222	8.9
431.23517	0.7
432.19226	1.3
432.23547	1.0
433.24194	7.5
434.24762	1.1
445.20007	10.4
446.20758	5.3
447.21628	5.0
449.23422	0.5
459.21521	3.1
460.22614	12.9
461.23254	12.5
473.23959	2.7
474.24194	0.7
475.20667	0.4
476.26315	1.7
477.22235	0.6
477.27225	0.5
487.24796	1.1
491.24518	1.0
492.25284	1.2
501.34021	0.4
505.21762	4.7
515.24823	0.5
517.25647	0.4
518.23273	0.8
519.24115	0.7
533.25513	51.0
534.26007	0.7
547.27582	0.6
564.23688	0.8
565.28223	1.2
578.25812	0.5
593.27618	100.0
594.27936	1.1
605.14471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	1.2
53.03945	2.8
55.05514	14.0
57.03441	9.4
57.07079	37.0
57.27940	1.1
58.07398	1.1
65.03930	2.1
66.33423	1.1
67.05511	52.6
69.07074	15.7
69.17202	11.7
71.04984	1.1
71.08628	22.5
78.63969	1.3
79.05495	36.4
81.07059	53.2
83.05000	1.6
83.08627	13.2
85.06527	2.7
85.10187	14.3
91.05486	18.4
93.07050	45.5
93.07648	2.5
95.04970	3.5
95.08611	50.5
97.06538	2.8
97.10175	7.0
99.08083	2.5
105.07049	15.4
105.71181	1.5
107.08601	28.5
109.06527	2.2
109.10171	20.6
111.08160	1.7
113.09663	2.5
117.07030	3.8
119.08575	10.3
121.10148	21.5
123.11724	9.0
125.09645	1.5
131.08557	9.2
133.10100	7.5
135.11690	14.4
137.09608	1.5
137.13283	4.4
145.10123	11.2
147.11742	7.5
149.13274	14.5
151.14871	2.6
159.11737	8.2
161.13277	6.5
163.14841	13.3
168.11792	1.0
169.62422	1.1
173.13193	7.6
175.14771	2.5
177.16440	5.2
187.14842	3.9
201.48126	1.2
233.22713	4.3
239.23668	4.2
243.21121	21.0
257.24753	1.5
261.22153	57.0
267.15921	2.1
276.79990	1.2
313.27368	100.0
314.27618	2.3
317.24780	11.0
335.25812	73.5
406.75549	1.1
446.67099	1.5
500.26801	1.4
506.38879	1.4
573.48792	23.6
591.49292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.8
57.03440	6.6
57.07081	3.9
65.03923	2.8
65.69160	2.6
67.05505	33.1
67.13356	2.4
69.07066	10.1
71.08633	21.1
79.05496	40.9
81.03423	4.5
81.07064	41.4
83.04972	11.1
83.08627	6.6
84.26929	2.5
89.12811	2.2
91.05483	33.1
93.07056	52.2
95.04964	10.9
95.08609	26.7
97.06521	5.0
97.10163	2.5
99.08086	10.7
105.07034	23.4
107.04974	6.5
107.08601	22.0
109.06480	4.4
109.10153	5.3
111.08081	3.0
112.98066	2.8
117.07047	6.4
119.08559	20.4
121.10155	15.1
129.07019	7.8
131.08563	7.2
133.10127	10.9
135.11694	18.1
145.10121	6.5
147.11745	13.5
149.13245	6.2
151.11191	7.2
157.10114	2.8
161.13275	9.0
170.17221	2.7
171.11679	8.1
179.14322	44.7
189.12811	5.5
207.13780	6.3
277.21649	32.9
281.17459	38.1
313.27054	3.0
314.27655	4.7
336.26157	5.7
351.25311	16.1
351.29169	2.7
557.38428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49992	0.8
72.08182	1.1
95.97147	0.9
117.07051	1.2
118.06554	18.7
130.06541	3.1
132.08118	4.2
142.06551	1.3
143.07341	2.3
144.08086	11.8
146.06018	65.8
159.09230	6.4
160.07610	0.9
170.05963	4.7
175.10707	0.9
188.07076	100.0
189.07471	1.4
205.09743	45.9
209.08096	1.1
210.37328	0.8
281.90582	1.0
352.45660	0.9
355.07205	1.1
529.30560	1.0
616.36359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01867	1.1
55.05503	3.4
55.48553	0.8
55.69223	0.8
56.92473	0.9
57.07078	0.9
61.02924	1.8
65.03941	2.3
65.45853	0.8
67.05499	3.1
69.03430	3.9
69.07067	3.3
70.06578	3.6
70.31376	1.0
70.64854	2.5
71.04984	1.3
72.08137	1.4
79.05499	2.5
79.66862	0.8
81.03416	3.9
81.07057	4.8
83.04978	9.1
83.08624	3.6
83.54962	0.8
84.08144	1.9
85.02920	4.8
85.06550	1.2
86.03917	0.9
86.09703	2.1
87.02219	0.8
87.22509	0.8
91.04916	1.1
91.05486	18.4
93.07042	4.1
95.04976	2.1
95.08602	2.6
97.02895	2.5
97.06539	1.4
100.22102	0.9
103.05481	1.1
105.07030	5.7
107.04966	4.4
107.08595	3.4
109.02864	1.6
109.10177	7.2
111.04452	1.0
111.08137	0.9
115.05447	1.3
117.07027	1.6
119.04954	22.3
119.08582	4.6
120.08102	0.8
121.06482	1.8
121.10143	2.5
123.04427	1.3
123.08077	0.9
127.03947	2.0
128.06194	1.9
129.07034	3.0
130.07831	0.9
131.04909	2.7
131.08559	2.8
132.02106	1.1
133.06509	1.5
133.10098	2.6
135.08035	1.7
135.11728	0.9
137.05916	1.1
137.09619	3.1
141.06998	1.8
142.07896	0.9
143.08612	2.2
144.09431	0.9
145.02855	1.1
145.06451	2.5
145.10112	3.8
147.04428	23.3
147.08044	1.7
147.11714	2.2
149.02361	1.0
149.09615	1.2
153.05472	1.8
153.06964	1.7
155.08517	1.8
156.09383	1.5
157.03937	3.0
157.06517	1.1
157.10147	2.1
159.08095	1.2
159.11703	3.3
161.05988	1.5
161.09645	1.1
161.13309	1.1
165.07027	2.0
166.07738	1.1
167.07080	10.2
167.08492	1.5
171.11739	1.9
173.06041	1.6
174.10022	0.9
175.03920	36.4
179.07036	2.1
179.08485	1.6
181.04982	17.9
181.06554	1.5
181.08609	1.3
182.07329	1.5
185.09729	1.2
187.11195	1.4
187.15033	0.9
189.12679	1.5
191.07031	1.9
191.08623	1.3
195.08145	2.1
195.11705	1.4
196.08842	1.2
197.05972	1.2
197.09561	1.8
197.13330	1.0
199.07634	1.8
201.05656	0.9
201.09135	1.3
207.06534	80.6
208.08812	2.3
209.09534	1.2
210.06805	1.5
212.08223	0.9
213.09175	1.1
213.12794	2.2
213.16345	1.1
215.10672	1.6
217.12201	1.0
218.07323	1.1
219.06367	1.8
219.08260	1.6
221.09737	1.7
222.06631	1.0
222.10461	1.6
223.11157	3.6
225.09174	2.6
227.07030	1.8
227.10812	0.9
233.09819	1.3
235.07571	2.0
237.09142	2.3
240.07794	1.0
241.12270	1.3
243.10219	1.1
245.07959	2.1
247.07582	1.4
247.11252	1.1
249.08936	1.8
250.09929	3.1
251.10648	2.4
253.08629	3.4
255.10246	1.5
257.11777	3.3
260.08347	1.3
263.07059	1.4
263.10605	1.1
265.08450	1.4
265.12296	1.2
267.10123	1.1
269.08020	1.6
270.08737	1.1
271.09592	4.6
277.12048	1.1
278.09326	2.0
279.10095	2.1
280.10794	1.1
281.08041	3.3
281.11984	1.6
282.12555	1.7
283.09705	5.6
283.13083	1.7
285.11133	2.7
285.14545	0.9
287.09082	6.7
291.13852	1.2
293.11829	1.9
295.09680	1.8
295.13101	1.1
296.10413	2.5
297.11209	6.0
297.14600	1.8
298.11963	6.2
307.16849	1.3
309.11166	1.6
311.12744	6.4
312.13489	1.8
313.10754	6.5
313.14331	2.1
321.11429	1.2
323.12717	2.8
325.10602	3.2
325.14352	1.7
327.12604	1.7
327.16006	3.5
335.16391	1.8
337.14169	1.1
339.12289	10.1
340.13034	8.6
341.13855	4.5
343.15387	1.8
351.10815	3.4
353.13553	1.2
353.17499	1.7
355.15463	2.0
363.16064	1.4
367.19119	5.4
369.11774	4.3
369.16531	1.7
377.17380	1.6
395.18588	42.0
395.29431	2.9
413.19614	100.0
413.30606	3.5
557.23541	2.9
575.24817	5.7
593.28558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.07962	2.0
55.05512	14.1
55.79562	1.6
57.03444	12.1
57.07081	37.5
59.11535	2.2
67.05508	54.6
69.06787	1.6
69.07074	16.5
69.70509	1.6
71.04976	1.9
71.08640	23.8
71.13273	3.9
79.05076	2.5
79.05502	36.3
81.06595	3.2
81.07062	60.5
83.08640	11.5
85.06539	3.4
85.10198	12.3
91.05492	19.4
93.07053	49.2
95.04957	3.0
95.08613	53.9
97.06541	3.8
97.10162	4.2
98.20727	2.1
99.08092	2.9
105.07043	13.8
107.08598	30.2
109.10169	17.4
111.11726	1.9
113.09574	1.7
117.07011	6.8
119.08617	10.6
121.10151	22.8
123.11707	8.5
131.08565	13.8
131.24533	1.7
133.10144	9.8
135.11690	16.9
137.13269	4.0
145.10132	10.9
147.11671	7.2
149.09555	1.8
149.13275	12.8
159.11676	7.5
161.13229	7.0
163.14825	10.9
173.13335	8.5
175.14740	2.7
177.16402	5.5
187.14857	4.3
189.16515	2.0
233.22717	2.6
239.23769	3.0
243.21088	27.3
261.22159	56.4
264.05176	1.7
313.27390	100.0
314.27661	2.9
317.24774	8.8
335.25842	67.8
473.72079	1.7
548.61768	1.9
573.48907	24.7
591.48798	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
54.40450	2.4
55.05511	13.2
57.03429	10.3
57.07081	41.4
60.65610	2.4
65.03915	2.8
67.05511	54.9
69.07063	17.2
69.10414	2.4
71.08366	2.1
71.08638	23.1
71.16525	3.6
71.16879	3.6
71.33067	2.3
74.04306	2.7
79.05498	31.6
81.07065	64.7
81.69225	2.6
83.08633	19.0
85.10184	13.6
91.05489	18.2
93.07043	36.7
95.08613	58.2
97.10176	10.3
103.22550	3.0
105.07022	15.8
107.08604	22.3
109.10163	29.8
117.07008	8.1
119.08578	9.7
121.10143	20.2
123.08010	2.9
123.11699	14.3
131.08594	13.9
131.09508	2.8
133.10135	7.7
135.11699	17.7
137.13289	5.2
145.10132	12.1
147.11667	8.1
149.13246	14.6
151.14810	2.9
159.11664	8.9
161.13284	5.5
163.14798	6.4
173.13251	5.8
187.14752	3.9
233.22643	2.7
239.23761	5.0
243.21080	11.2
261.22144	62.5
313.27396	100.0
317.24777	15.2
335.25821	75.3
573.48798	26.5
591.49725	12.4
596.65240	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	591.2607
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
50.13269	0.4
50.43538	0.5
55.05521	0.7
56.71824	0.4
57.07085	0.7
59.57321	0.4
60.42641	0.4
67.05508	1.6
69.07066	0.7
71.29465	1.0
72.95705	0.4
79.05501	0.6
81.07062	1.8
91.05472	0.7
93.07062	0.7
95.08614	1.0
107.08587	0.7
109.10184	0.7
117.32660	0.5
135.11667	0.5
207.08447	0.4
221.10732	0.5
263.75037	0.5
307.51813	0.5
401.17743	0.9
415.19263	3.8
416.20145	1.4
427.19202	0.7
428.20184	0.7
429.20880	6.5
430.21750	4.1
431.22452	1.7
433.23965	0.9
443.23364	2.7
444.23535	7.2
445.24142	5.8
448.26364	1.1
457.19836	0.7
458.25171	0.8
459.21201	2.2
459.25699	4.0
466.35809	0.6
471.22058	0.6
472.22726	3.3
473.23428	5.4
474.24646	2.3
475.25217	1.0
485.23325	1.0
486.24271	1.1
487.25003	21.9
489.22980	2.6
490.24039	0.6
503.25241	2.2
503.31067	0.6
515.24335	1.1
517.22388	0.8
518.23529	0.8
520.14417	0.6
531.23950	16.8
532.24774	5.6
591.26068	100.0
592.26532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
53.70546	2.3
55.01867	7.3
55.05516	14.9
57.03441	25.0
61.02929	79.8
67.05505	22.0
69.03078	3.7
69.03432	39.8
69.07067	4.8
69.59505	4.2
69.59921	9.0
70.06596	14.3
71.01350	5.4
71.04984	6.3
72.08146	6.3
73.02917	32.4
73.05695	1.9
78.29103	1.8
79.05497	21.0
81.03419	98.7
81.07056	18.8
81.58897	1.8
83.04987	12.5
83.08618	16.9
84.04500	3.0
84.08152	9.6
85.02912	100.0
85.75822	1.9
86.09697	10.8
87.04477	3.7
89.97768	1.9
91.03961	39.4
91.05486	26.3
93.07053	17.4
95.04971	60.2
95.08624	9.8
97.02895	67.8
97.03525	3.9
97.06541	3.8
97.10180	8.2
98.21490	2.9
99.04470	12.6
101.02375	8.0
103.03942	15.6
105.07048	16.4
107.04949	11.6
107.08580	10.1
109.02894	24.0
109.06518	6.2
109.10153	4.5
111.04443	7.8
111.08075	7.1
115.03915	6.2
117.05486	2.6
117.07016	8.9
119.04939	9.3
119.05701	1.8
119.08577	13.9
121.02884	2.1
121.06481	10.0
121.10138	10.9
123.04444	26.1
123.08040	4.0
125.06076	2.3
125.09650	7.0
127.03925	33.0
129.05511	5.5
129.06993	10.7
129.10281	3.1
130.10602	2.2
131.04948	5.5
131.08568	12.5
133.06502	6.0
133.10150	7.8
135.04413	2.8
135.08081	3.3
135.11679	6.9
137.02321	2.5
137.05975	5.0
138.05493	2.5
139.03917	2.4
143.08569	5.8
145.04979	15.3
145.06476	3.6
145.10121	12.0
147.04402	17.9
147.08066	9.1
147.11699	12.1
149.05981	5.9
149.09621	6.1
151.07480	2.5
153.09062	3.9
155.06976	2.2
155.08478	2.8
157.10133	13.7
159.08060	2.5
161.05994	8.5
161.09546	2.6
161.13298	2.8
163.06044	6.5
163.11237	13.7
165.12711	2.4
171.08051	2.5
171.11717	4.5
173.06041	2.5
173.09650	4.7
175.03949	7.4
175.11189	10.6
183.06538	7.8
187.11229	2.6
189.05487	3.9
189.12788	6.9
191.10756	2.9
192.80066	2.2
193.12248	37.7
199.07449	2.6
201.07568	3.8
205.12305	5.7
207.06508	23.6
207.13821	5.6
211.13271	29.0
216.00983	2.3
217.12212	2.9
227.12761	4.8
229.14406	2.8
231.13721	2.5
235.13301	54.2
247.08597	2.1
247.13066	2.3
249.14873	10.2
253.14372	9.2
259.13318	18.6
267.15930	45.4
273.14847	23.6
277.14471	9.6
283.13351	6.4
285.17084	14.1
289.14432	4.9
291.15860	2.7
295.15720	2.6
301.14285	30.7
309.16980	46.2
315.15967	3.0
319.15424	13.8
320.07791	2.3
321.17160	4.1
333.17010	4.8
337.16412	8.5
347.18625	2.7
351.17993	11.0
357.17227	2.9
363.18143	6.7
375.18027	41.3
393.19077	32.1
411.20230	24.5
417.18918	4.8
429.21106	9.3
435.20407	2.4
453.21298	2.1
487.91824	2.5
508.93066	2.7
519.21906	3.3
591.19104	12.3
591.28174	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	590.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05276	3.3
55.05516	53.7
57.03439	16.1
57.07084	17.2
61.52367	2.3
61.67326	2.8
65.04408	2.6
67.05506	52.3
69.07074	38.7
71.08619	11.1
79.05487	17.8
81.07067	22.3
83.05000	3.2
83.08624	40.7
85.02917	14.9
85.10136	4.7
87.04465	7.6
91.05491	8.5
93.07040	9.3
95.08622	13.9
97.06540	4.0
97.09564	3.0
97.10178	43.0
105.06975	3.6
107.04973	3.1
107.08605	13.6
109.10171	44.1
111.04383	2.8
111.08021	2.3
111.11736	5.6
112.71923	2.6
119.08615	3.9
121.10131	7.8
123.07986	2.6
123.22070	2.4
125.09637	21.6
131.08571	2.9
135.11702	5.7
143.10692	3.6
155.10689	3.3
163.11221	4.4
173.11765	15.5
199.13313	18.4
199.72827	2.8
227.12833	3.8
229.14372	49.8
237.22237	3.3
283.15543	2.8
294.47519	3.3
301.16461	17.2
311.25800	100.0
313.27252	3.6
339.45004	2.5
435.34540	6.1
453.36075	15.7
453.41400	2.8
465.35956	35.1
537.37634	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	590.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.01872	3.9
55.05515	66.0
57.03433	22.6
57.07074	22.6
59.05006	4.8
67.05191	4.2
67.05510	64.0
67.33945	2.5
69.03432	4.3
69.07061	46.6
71.01345	2.4
71.04965	2.9
71.08629	19.1
71.52754	2.7
79.05499	21.4
80.31852	2.4
81.03421	6.1
81.07061	36.7
83.04984	6.1
83.08620	55.1
85.02905	19.5
85.06551	3.5
85.10184	7.0
87.04458	9.2
91.05480	13.6
93.07056	11.5
95.04953	3.3
95.08609	20.1
97.06532	6.9
97.10175	52.5
103.03900	2.5
103.23082	2.8
105.07041	5.9
107.08591	17.2
108.93975	3.2
109.10162	48.1
111.08074	4.2
111.11714	11.6
117.07033	2.9
119.08580	8.9
121.10125	6.4
123.11742	3.2
123.47648	2.4
125.09615	29.1
125.13258	3.1
128.77853	2.9
133.10132	4.7
135.11690	3.2
143.10645	11.1
155.10616	3.0
163.11159	4.5
173.11749	10.9
199.13287	24.0
217.14348	2.7
219.20695	2.7
227.12773	9.7
229.14375	46.6
267.15942	7.1
271.28879	2.4
299.14944	11.9
301.16510	23.4
311.25793	100.0
312.26050	4.3
313.27368	26.5
317.16037	3.7
319.17447	3.9
435.34680	6.5
453.35843	16.2
465.35727	24.0
505.38638	6.0
537.37964	20.5
547.20380	3.0
555.38354	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	590.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62961	2.2
53.03970	2.4
54.40557	2.6
55.01863	2.8
55.05511	56.6
57.03440	17.4
57.07085	16.7
59.04989	2.7
66.10915	2.3
67.05186	3.9
67.05508	53.3
69.07074	39.9
69.61335	9.8
69.61759	5.4
71.04996	2.1
71.08619	8.8
79.05481	17.0
81.07059	21.8
83.04955	3.5
83.08617	38.8
85.02901	15.3
85.10187	2.8
87.04459	9.2
91.05461	8.1
93.07033	9.8
95.02439	2.1
95.08607	15.6
97.10174	40.9
98.20762	3.9
107.08586	10.8
109.10153	40.2
111.04362	2.5
111.08059	4.1
111.11710	7.4
119.08607	3.7
121.10117	6.2
125.09645	30.7
135.11684	6.1
137.09593	3.2
137.68030	2.2
143.10631	3.7
144.54558	2.7
152.22491	2.5
155.10635	4.5
157.01009	2.7
165.33093	2.3
173.11732	14.6
173.84795	2.6
199.13321	19.1
209.11813	2.6
227.12692	4.6
229.14340	50.3
246.75497	2.3
252.67026	2.3
269.16534	2.4
301.16461	20.5
311.25818	100.0
434.14627	2.5
435.34634	4.8
453.35828	13.9
465.35815	24.0
537.37915	11.7
590.43146	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	589.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
56.05029	1.5
69.07086	0.6
70.02953	1.2
70.06597	6.6
71.06924	0.9
71.51757	0.8
71.52077	0.6
72.08158	31.6
73.08767	0.5
75.98198	0.6
81.03397	0.5
82.06564	3.1
84.08149	44.5
85.02937	0.6
85.04018	0.6
86.09712	49.9
87.05595	0.7
88.03992	5.7
92.58909	0.5
96.08134	1.1
98.02411	1.9
99.09228	1.3
101.10796	2.0
102.05576	0.8
111.09211	0.8
114.09290	0.5
124.07577	1.5
127.08693	9.7
128.07091	1.8
129.10240	22.2
130.08646	20.1
139.08621	0.7
141.10233	0.5
142.08643	15.3
147.11296	17.8
152.05652	1.0
152.07024	1.1
157.09755	0.9
163.03981	0.8
169.09734	4.3
170.08170	2.2
183.11311	1.2
183.14917	0.7
184.10905	1.0
185.09311	0.7
185.16554	0.7
187.10794	48.2
198.12428	0.7
201.12341	1.3
209.09212	2.7
215.10283	14.3
226.11835	3.6
229.11839	1.9
244.12967	3.1
245.11470	2.2
262.14005	21.0
262.16824	1.0
328.18680	2.0
357.21564	0.8
375.22391	9.6
443.21338	2.7
474.29089	3.5
572.29218	1.0
589.31958	100.0
590.32642	1.2
618.40143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01861	2.4
55.05517	34.5
57.03235	1.1
57.03446	11.3
57.07086	18.7
65.03958	2.7
67.05511	63.7
69.07071	43.4
69.80830	4.6
71.04994	1.8
71.08637	14.6
72.09546	1.0
74.01187	1.1
79.05499	44.6
81.07065	69.2
83.04965	2.4
83.08153	2.0
83.08628	31.5
85.06555	2.3
85.10191	6.8
88.50293	1.2
91.05489	27.7
93.07050	56.8
95.04959	2.8
95.08614	55.0
97.06538	5.3
97.10175	21.0
98.20851	1.9
99.08115	4.9
105.07040	20.2
107.08605	30.0
109.06560	2.2
109.10172	21.4
109.19182	1.1
111.08094	2.5
111.11727	5.5
113.09641	3.0
117.07021	10.2
119.08586	17.2
121.10155	28.2
123.08031	1.7
123.11697	7.4
125.13280	1.5
129.06989	1.3
131.08585	17.4
133.10127	11.3
135.11703	18.9
137.09593	2.0
137.13257	4.7
143.08591	2.5
145.10143	12.3
147.11710	11.5
148.72520	1.0
149.09648	2.1
149.13278	13.6
151.11177	3.8
151.14803	3.0
157.10112	2.2
159.11693	7.8
161.13254	8.3
163.11208	3.1
163.14819	11.5
165.12738	1.3
171.11707	2.9
173.13257	9.0
175.14828	4.6
177.16382	5.2
179.14307	1.9
187.14783	5.3
189.16364	1.8
201.16362	2.7
205.15939	1.3
209.02290	1.0
215.17876	1.6
219.21115	2.3
233.22681	4.2
237.22083	1.6
241.19496	1.4
243.21101	23.7
259.20630	4.8
260.31018	1.2
261.22153	41.0
277.21561	5.3
279.23254	3.2
311.25818	97.2
313.27359	5.9
315.22986	1.2
317.24826	10.1
333.24408	3.2
335.25827	100.0
424.54846	1.2
479.42435	1.6
497.43671	12.2
515.44788	2.4
547.47272	2.4
571.47192	27.8
589.48267	22.1
607.70648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05513	15.5
57.03440	11.0
57.07083	7.7
58.78230	1.1
64.88317	1.1
67.05515	8.2
69.06746	1.3
69.07076	18.1
69.29401	8.6
71.08633	4.7
79.05496	7.9
81.03423	55.2
81.07057	7.7
83.04971	2.8
83.08158	1.7
83.08624	22.9
85.06534	1.4
85.10169	2.0
91.04958	1.5
91.05479	10.1
93.07058	6.0
95.04975	13.5
95.08603	4.4
97.02904	1.3
97.06526	2.9
97.10175	13.1
98.21543	2.1
105.07023	6.2
107.04948	3.3
107.08579	3.3
109.06526	1.7
109.10155	1.5
110.84866	1.0
111.08064	4.1
111.11665	1.8
113.76571	1.0
117.07016	1.3
119.08566	7.5
121.06511	1.8
121.10149	4.5
122.00040	0.9
123.08068	1.8
129.07027	5.0
131.08604	6.2
133.06508	1.9
133.10159	2.5
135.11682	1.5
137.09599	1.2
147.11700	5.2
149.09604	3.2
157.10179	6.6
165.12802	1.3
175.11191	7.2
193.12254	17.0
211.13470	1.5
249.14842	2.1
267.15930	100.0
311.25815	58.7
429.33545	1.5
503.37347	57.6
588.46313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79000	0.8
52.87968	0.9
53.03941	2.3
55.01868	1.2
55.05277	1.1
55.05516	16.8
57.03442	11.7
57.07080	5.9
57.07843	0.8
67.05504	8.4
69.03435	1.5
69.07072	17.4
71.04984	1.1
71.08645	4.2
71.08959	1.0
79.05495	7.2
81.03422	53.9
81.07066	8.8
83.04978	2.8
83.08163	1.7
83.08626	25.1
85.02879	0.8
85.10184	2.1
91.05489	10.4
93.07054	6.1
95.04976	15.2
95.08609	4.3
96.86091	0.7
97.02844	1.3
97.06519	2.6
97.10178	12.7
105.07027	7.8
107.04952	3.2
107.08591	3.1
109.06502	2.2
109.10162	1.1
111.04420	1.3
111.08096	4.1
111.11723	3.6
115.05402	1.1
117.07005	1.3
119.08589	7.0
121.06487	1.9
121.10133	4.8
125.09615	1.2
129.07002	4.9
131.08574	3.1
133.06493	2.0
133.10114	3.4
135.11685	1.9
135.36673	0.8
142.07799	1.2
143.04076	0.8
147.07977	1.9
147.11731	3.9
149.09631	2.5
157.10144	6.8
163.11205	0.8
165.12645	0.9
175.11220	5.8
193.10738	0.6
193.12256	16.9
211.13284	1.8
249.14903	1.7
267.15927	100.0
311.25827	58.9
311.28717	0.7
311.29669	0.8
429.33459	1.7
484.26422	1.2
503.37344	50.4
545.80817	0.9
588.47137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01868	5.5
55.05517	51.1
55.23785	2.0
57.03425	8.5
57.07079	29.3
64.96198	2.2
65.03947	2.3
67.05511	57.5
69.07070	67.3
71.04996	2.1
71.08640	23.5
71.43836	3.7
79.05495	49.0
81.06588	3.9
81.07062	63.4
83.04992	6.5
83.08626	49.7
85.10176	4.7
91.05483	52.2
91.06767	2.0
93.07049	58.8
95.04958	6.0
95.08608	42.0
97.06529	6.3
97.10173	32.0
99.08096	11.6
105.07043	56.8
107.04961	5.6
107.08600	35.1
109.06505	3.5
109.10167	16.5
111.08087	5.0
111.11728	7.0
113.09630	2.5
117.07037	14.3
119.08590	42.7
119.88899	2.0
121.10148	26.1
123.08094	2.8
123.11692	6.0
123.92844	2.1
125.09635	3.3
129.06975	9.7
131.08578	23.4
133.10147	47.3
135.08102	4.5
135.11703	25.3
137.09622	2.5
137.13353	3.1
142.07762	2.7
143.08588	10.3
145.10129	22.0
147.11700	35.8
149.09657	4.0
149.13258	15.1
151.11172	6.6
157.10193	9.4
159.11722	17.3
161.09621	2.8
161.13260	28.2
163.11179	6.3
163.14876	5.7
171.11710	13.1
173.13295	12.6
175.14848	10.6
177.12796	3.6
179.14334	9.8
185.13266	8.5
187.14851	2.5
189.12720	2.2
189.16408	2.3
199.14828	6.8
213.16399	3.7
217.19576	3.5
222.12177	2.4
231.21057	4.6
237.22237	5.3
241.19547	32.6
243.20915	2.2
259.20609	61.6
259.23410	3.1
275.20035	11.3
277.21570	17.5
311.25824	88.6
315.23203	6.6
333.24258	75.8
343.84183	2.3
344.66916	2.2
351.25357	5.4
495.42142	6.5
569.45612	12.4
587.46698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01876	10.5
55.05514	25.6
55.58941	1.0
57.03442	1.2
57.07075	8.6
65.03949	1.1
67.05510	24.0
69.03426	1.4
69.07073	28.2
71.08242	1.2
71.08633	20.1
71.29536	1.8
76.16787	1.0
76.75528	0.9
79.05070	1.4
79.05496	17.7
81.03424	2.4
81.07063	27.8
83.01534	0.9
83.04981	5.0
83.08616	21.6
83.09931	1.0
85.06541	1.2
85.10204	2.2
86.84322	0.9
91.05484	15.2
93.06484	1.9
93.07048	27.4
94.77489	1.1
95.04981	4.5
95.08614	18.1
95.09184	1.5
97.06534	5.6
97.10182	12.4
99.08092	11.3
105.04550	0.9
105.07031	9.8
107.04955	3.3
107.08602	14.0
109.06482	1.8
109.10137	5.8
111.08085	3.6
111.11753	2.8
117.07010	1.7
119.08577	9.7
121.10149	13.3
123.11749	2.4
125.09644	1.4
129.07024	1.1
131.08531	2.4
133.10133	8.4
135.08145	1.1
135.11719	14.1
137.09607	1.5
137.13280	1.3
141.09126	2.0
143.08603	1.7
145.10164	1.8
147.11729	2.4
149.13269	6.0
151.11191	5.8
159.11707	2.0
161.13316	5.6
163.11192	3.1
171.11667	1.3
173.13211	1.1
177.12747	1.4
179.14326	42.8
207.17526	1.3
235.16959	1.7
237.22154	11.2
245.40387	0.9
259.20532	1.6
275.20111	3.6
277.21634	27.2
295.22729	1.9
311.25906	1.2
587.46735	100.0
588.46710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.7
55.05502	7.1
56.38708	1.6
57.03442	8.9
57.06800	1.9
57.07076	29.1
67.05511	18.4
68.73740	1.8
69.07057	12.0
71.08637	23.1
71.53040	2.2
79.05510	13.5
81.03420	31.6
81.07067	18.9
83.04995	2.8
83.08622	14.0
85.10186	13.4
91.05486	14.1
93.07043	14.3
95.04967	3.9
95.08615	20.3
97.06560	3.2
97.10170	7.7
99.08122	2.0
105.07035	7.7
107.04964	2.8
107.08583	6.9
109.06512	2.2
109.10162	11.6
111.11715	2.2
117.07030	5.8
119.08568	9.1
121.06519	7.9
121.10146	6.9
123.08053	2.0
123.11768	2.9
131.08585	5.7
133.10103	2.2
135.11702	8.2
145.10126	10.6
146.10483	2.2
147.08058	5.1
147.11615	2.3
159.11615	1.8
163.11172	8.1
173.09567	3.0
179.14319	4.3
191.10582	3.6
223.13457	2.4
239.23659	3.2
241.14265	3.1
247.13264	2.0
265.14359	48.2
267.15988	3.4
275.20062	3.9
277.21622	3.2
299.25757	2.9
311.25912	2.1
313.27374	100.0
375.74185	1.9
457.51547	1.9
503.37335	42.9
517.40759	2.0
536.90863	1.9
588.47205	18.5
589.47583	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	585.4517
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03955	1.3
55.01876	1.5
55.05516	15.6
57.02728	1.0
57.03438	4.0
57.07074	5.0
67.05512	40.6
69.07077	16.5
71.05000	1.9
71.08635	3.4
79.05500	27.9
81.03420	1.9
81.07065	44.1
82.74940	1.0
83.04996	2.1
83.08625	11.4
85.06548	2.5
89.06052	1.9
90.65984	1.0
91.05479	23.7
92.05856	1.2
93.07051	34.3
93.92780	0.9
95.04971	3.8
95.08618	37.3
97.06540	4.3
97.10160	5.0
97.73974	1.0
98.20892	6.1
98.21617	2.2
99.08116	1.6
105.04513	1.0
105.07040	27.8
107.08609	21.0
109.06509	2.4
109.10171	18.0
111.08099	2.2
111.11733	1.8
117.07014	9.0
119.08601	19.5
121.06573	1.3
121.10146	19.5
123.08092	2.0
123.11713	7.1
125.09666	1.5
128.06282	2.0
129.07056	4.8
131.08574	15.0
133.10133	18.1
135.08138	2.3
135.11707	12.9
137.09697	1.4
137.13300	2.6
139.11235	1.2
140.24634	0.9
141.07004	2.1
142.07718	1.0
143.08611	7.5
145.10132	17.5
147.11700	14.0
149.09676	2.2
149.13292	6.8
151.11232	1.7
155.08603	2.7
157.10135	9.0
159.11700	15.9
161.13251	9.0
163.11258	1.7
163.14902	3.3
169.10136	3.8
169.39052	1.0
171.11691	7.6
173.13300	10.5
175.11304	1.7
175.14868	4.9
177.16463	1.5
179.14365	3.6
181.10176	2.2
183.11768	3.1
185.13268	6.1
187.14841	6.7
189.16505	4.5
195.11775	1.6
197.13348	3.2
199.14897	2.1
201.16444	3.5
203.17992	2.1
209.13228	1.3
211.14841	1.6
213.16512	5.2
215.18048	4.4
217.19673	2.4
225.16580	1.2
228.77177	1.1
229.19588	1.6
231.17506	3.3
231.21304	1.3
233.19109	4.0
237.16400	1.8
239.18002	2.0
241.19725	2.1
243.21155	1.4
257.19122	1.8
259.20660	2.9
261.22208	3.1
273.22049	1.6
275.20172	2.2
277.21753	3.8
305.21130	2.1
307.22751	5.0
309.24292	3.7
316.61035	1.0
327.27502	1.3
333.24255	2.2
335.25949	5.8
337.27512	2.9
444.96628	1.1
461.32721	1.6
493.40735	6.3
501.35284	1.3
511.41541	2.0
515.37469	1.5
567.44171	12.0
585.45184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.9
53.03937	2.1
53.97002	0.7
55.01865	1.5
55.05267	1.2
55.05515	14.7
57.03437	3.6
57.07072	3.9
67.05509	40.8
69.07075	17.5
71.01640	2.1
71.05004	2.1
71.08637	1.1
79.05502	25.7
81.07059	48.5
83.04979	0.9
83.08625	9.5
85.06534	1.6
91.05489	23.0
93.07047	33.4
95.04958	2.4
95.08612	38.6
97.06531	3.2
97.10175	4.0
98.21026	1.3
99.08102	2.1
103.05460	1.0
105.07037	23.5
107.08601	20.4
109.06469	1.2
109.10160	19.0
111.08067	1.9
111.11703	0.7
113.79652	0.7
115.05495	0.7
115.23798	0.7
117.07039	9.5
119.08591	19.7
121.09327	1.5
121.10155	18.5
123.08066	2.1
123.11713	8.9
125.09625	1.5
128.06230	0.8
129.06999	5.7
130.07799	0.9
131.08580	15.7
133.10133	20.7
135.08112	1.0
135.11719	14.6
137.13260	2.4
141.07030	1.1
142.07776	1.2
143.08562	6.7
144.09329	0.8
145.10133	17.7
147.11685	15.7
149.09628	2.4
149.13298	5.1
151.11340	0.7
151.14824	0.9
155.08545	2.1
157.10124	7.0
159.11703	12.4
159.12901	1.2
161.13246	8.8
163.11227	0.9
163.14864	2.3
168.77458	0.8
169.10197	2.0
171.11707	8.5
173.13255	9.2
174.59111	0.9
175.14832	4.9
177.12904	0.9
177.16411	2.2
183.11719	3.2
185.13258	4.3
187.14825	6.5
189.16431	2.6
191.14334	1.0
191.17941	1.3
195.11794	1.0
197.13318	2.0
199.14833	4.7
201.16386	3.6
203.17958	2.3
211.14835	1.8
213.16521	4.6
215.17973	5.6
217.19513	1.7
219.21167	1.1
221.13055	0.8
225.16475	1.7
227.17995	1.4
229.19592	1.4
231.17444	5.3
231.21060	0.9
233.18991	3.8
235.20563	0.9
239.18066	1.4
241.19688	1.6
243.17612	0.9
243.21074	1.6
245.19011	1.0
251.20264	0.9
257.19067	1.0
259.20618	2.2
261.22125	4.9
271.20840	0.8
273.22021	1.0
275.20328	0.8
281.21097	1.0
285.21970	1.4
287.23682	0.9
291.23434	1.0
299.23767	2.0
301.25314	1.0
305.21194	2.3
307.22720	6.9
309.24319	5.3
315.26752	1.0
317.24927	1.1
333.24411	3.0
335.25739	4.8
337.27469	2.5
341.28308	1.3
355.30334	1.2
371.29575	1.0
403.27939	1.2
475.33716	1.1
475.39767	1.0
493.40259	5.7
501.35037	1.1
511.41437	1.9
529.40118	1.3
567.44147	11.0
585.45154	100.0
586.45776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.05502	15.7
57.07062	10.2
67.05511	25.1
69.03418	5.5
69.07068	20.2
71.53354	5.5
79.05506	27.2
81.07060	48.7
83.04977	5.6
83.08593	5.8
85.06535	7.4
89.06026	3.6
91.05486	50.8
93.07051	63.5
95.04945	13.0
95.08611	41.1
97.06516	4.6
97.18784	3.4
100.99791	3.2
103.05440	6.4
105.07039	94.8
106.07387	3.2
107.04933	3.7
107.08595	46.6
109.06515	9.2
109.10186	28.0
115.05495	5.7
116.06298	3.9
117.07039	20.6
119.08588	76.8
120.08896	5.9
121.06488	9.9
121.10164	46.3
122.10501	5.9
123.08074	15.9
123.11710	6.9
125.09605	6.3
128.06241	12.3
129.06975	15.2
130.07736	10.1
131.08578	48.1
133.08629	3.7
133.10144	57.7
134.10513	4.6
135.08043	9.2
135.11734	21.1
135.12573	3.7
137.09615	12.3
139.11183	5.3
141.07007	6.5
142.07848	18.9
143.08566	37.5
144.09322	7.4
145.06432	3.9
145.10130	68.7
146.10500	7.4
147.08041	11.4
147.11700	21.3
151.07539	7.7
155.08574	18.1
156.09363	10.6
157.10155	44.0
158.10632	7.5
159.08047	8.5
159.11716	37.5
160.12254	3.8
161.09665	8.5
161.13286	12.7
161.70103	3.3
163.11116	6.2
164.11552	4.4
165.09189	16.4
166.09430	4.9
167.08543	8.2
168.09320	8.6
169.10127	27.5
170.10837	8.3
171.11684	27.4
172.12282	4.8
173.09703	3.9
173.13271	20.6
175.11131	3.9
175.14833	14.0
177.12650	4.6
179.08553	8.5
180.09348	7.6
181.10095	13.7
182.10841	9.2
183.11655	25.0
184.12332	3.5
185.13252	19.4
186.13686	5.2
187.14827	9.6
189.12744	4.4
193.10153	9.6
194.10921	10.5
195.11693	18.3
196.12398	7.8
197.13298	18.8
198.13799	6.9
199.11125	5.9
199.14735	7.5
201.16382	5.5
203.14305	10.5
206.11084	3.9
207.11676	10.7
207.13765	5.6
208.12277	6.3
209.13239	12.1
210.13812	7.9
211.14853	14.1
213.16354	5.5
217.15930	5.6
219.11697	5.9
220.12468	5.7
221.01964	4.2
221.13234	15.1
221.15385	22.9
222.13763	5.8
222.15730	13.0
223.14867	15.4
225.16342	10.5
233.13313	4.2
233.15477	5.9
235.14822	6.2
237.16400	5.7
245.13083	4.2
247.14780	7.9
249.16367	7.3
251.18001	4.7
253.15776	3.5
253.19582	5.2
255.17441	12.4
256.26355	4.3
257.19061	4.3
261.16330	5.8
263.18011	6.6
270.19711	5.6
275.17706	5.5
283.20435	6.3
311.29211	5.4
323.23691	4.4
349.25223	3.7
363.26666	4.3
403.29810	7.5
404.30289	6.2
541.40350	6.3
566.40631	23.6
584.42004	100.0
584.55902	24.4
596.55817	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	584.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01870	5.1
55.05507	4.6
57.03433	4.6
57.07066	1.4
61.02921	3.8
63.76192	0.9
67.05504	12.0
68.99802	2.4
69.03429	19.8
69.07076	8.1
69.23908	2.1
69.24301	9.4
71.04995	3.7
73.02930	5.1
79.05502	11.9
80.21532	1.1
81.03427	15.8
81.07059	30.0
83.04992	2.2
83.08616	2.5
85.02912	41.4
87.00835	19.3
91.05489	12.9
93.07046	20.8
95.04977	4.2
95.08611	43.6
97.02895	14.7
97.06538	2.2
97.10155	2.8
99.04472	10.3
105.01869	15.9
105.07048	13.4
107.04946	1.1
107.08599	27.7
109.02885	16.0
109.06553	2.4
109.10165	42.9
110.10551	1.0
111.04442	7.7
111.08054	2.3
117.01867	2.2
117.07034	4.5
119.08590	9.2
121.06490	1.9
121.10158	21.1
123.04436	2.5
123.08096	1.4
123.11713	26.6
125.05986	6.1
125.09659	1.6
127.03930	28.2
129.01880	1.6
131.08592	7.2
133.06429	1.5
133.10136	8.8
135.04417	5.7
135.07109	1.0
135.08096	1.9
135.11697	19.1
137.05983	2.9
137.09560	1.0
137.13263	2.0
139.07568	11.9
143.08528	2.5
144.09361	1.3
145.04971	9.0
145.10152	8.6
147.02896	2.0
147.08038	1.3
147.11713	5.7
149.06009	1.1
149.13278	11.2
151.07552	2.2
153.09126	16.1
153.12764	10.3
157.10162	2.5
159.02917	4.9
159.08151	1.3
159.11697	6.4
161.09666	1.9
163.11098	1.7
163.14769	2.5
165.09119	1.5
167.10703	6.2
171.11754	1.2
173.09651	3.9
173.13292	1.8
175.11253	1.2
177.09081	2.3
177.12772	1.5
179.10655	9.3
187.11223	4.5
189.03947	1.4
189.12721	1.6
191.10693	20.6
193.12317	3.0
205.12241	20.2
207.13803	8.6
213.03909	2.0
217.12285	3.3
219.10280	1.5
219.13820	13.8
231.05011	7.0
231.13795	4.5
233.15375	4.0
245.15466	3.2
249.06013	1.6
261.18533	3.4
271.20609	2.8
287.19937	1.3
289.18335	1.6
289.21628	44.7
299.20123	4.8
301.21625	100.0
311.19958	1.1
313.21707	2.0
319.22690	64.6
343.22610	2.9
367.22708	2.2
373.91895	1.1
385.23544	1.8
391.22620	3.0
409.23697	1.8
423.06049	1.4
501.18289	2.1
501.25095	1.2
513.24719	3.4
516.14459	1.1
531.25842	2.8
584.31024	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	584.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01878	0.9
55.05503	3.1
56.54503	0.7
57.07063	1.2
57.91813	0.6
67.05511	5.7
69.03420	2.6
69.07069	3.7
70.06591	1.0
70.64533	2.0
79.05491	5.7
81.03405	2.3
81.07053	8.3
83.04981	1.7
83.08617	3.7
85.02901	5.9
87.00826	2.2
91.05495	7.2
93.07044	13.4
95.04972	1.9
95.08613	10.6
97.02893	1.6
97.06554	0.9
97.10156	1.5
99.04462	2.0
105.01874	4.1
105.07047	7.5
107.04954	0.8
107.08596	15.8
108.21030	0.7
109.02871	1.5
109.06520	1.3
109.10155	8.0
111.04446	2.9
117.07027	1.9
119.08585	7.4
121.06491	1.3
121.10149	12.5
123.04433	1.9
123.11724	3.5
125.06004	3.0
127.03922	4.0
129.07043	1.4
131.08566	3.3
133.06387	0.8
133.10115	4.7
135.11700	21.7
135.12723	1.2
137.05991	1.4
137.09596	1.0
139.07574	3.2
139.56914	0.7
142.07777	0.8
143.08565	2.4
145.04910	1.2
145.10118	4.1
147.08014	0.9
147.11707	1.9
149.06038	1.0
149.13206	3.9
153.09138	3.4
157.10135	2.9
159.11649	1.9
161.13159	0.7
165.09126	0.8
171.11713	1.9
176.30180	0.8
179.10649	1.9
185.59935	0.7
187.11200	1.6
189.03981	0.8
189.09082	1.6
191.10686	5.4
193.10155	0.7
193.12236	1.8
203.10709	3.2
205.12236	7.5
207.13763	1.1
217.12259	5.7
219.13788	2.7
229.12260	0.9
231.04948	1.9
231.13873	6.1
233.15375	1.4
245.15347	5.2
249.06004	1.6
252.20929	0.7
259.16891	2.7
287.19940	1.0
301.21625	100.0
319.22385	0.9
325.21542	1.3
373.21585	0.9
391.22607	2.3
425.08078	0.8
513.24780	1.4
531.26373	0.9
584.30994	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	584.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17440	7.5
55.01873	9.1
55.05506	26.9
57.03438	17.8
57.07063	26.5
58.58155	6.7
67.05513	65.4
69.03426	10.9
69.07064	24.1
71.08634	15.5
71.52579	9.1
79.05498	80.8
81.03423	59.2
81.07068	70.0
83.04982	10.6
83.08628	22.4
85.10178	11.2
87.04476	8.0
87.34103	8.1
89.06022	18.7
91.05491	62.7
93.07045	77.0
95.04959	24.6
95.08604	52.2
97.06536	9.8
97.10185	13.2
105.07037	60.3
107.05013	8.2
107.08600	48.9
108.05278	7.3
108.08980	8.7
109.06527	11.5
109.10159	32.3
117.07019	15.6
119.08597	71.5
120.08920	22.5
121.06447	11.4
121.10151	49.2
122.10483	10.4
123.08050	15.6
123.11739	16.2
126.82490	6.9
129.06990	16.1
131.08557	30.5
133.08643	10.9
133.10121	37.3
135.11707	24.0
137.09604	8.9
143.08578	21.0
145.10143	49.0
146.10512	11.2
147.08105	9.0
147.11694	28.5
149.09636	10.4
153.31841	8.2
157.10130	36.0
158.10583	8.8
159.11705	28.0
165.09132	8.5
167.10667	20.9
169.10133	20.4
170.10698	8.1
171.11711	17.9
173.13336	15.2
174.13651	7.4
175.11188	18.0
181.10155	10.3
183.11647	15.9
185.13300	8.3
193.12320	21.0
195.11577	10.5
197.13152	11.0
199.14911	9.1
209.13246	11.1
210.13924	8.5
215.17998	15.9
221.13528	10.1
221.15451	8.4
231.39069	7.4
233.18938	22.9
250.84853	7.6
256.26334	8.6
267.15936	95.9
300.29056	13.0
307.22711	100.0
311.29605	14.0
385.43967	8.4
499.34271	53.2
517.35522	34.4
566.40814	14.4
567.34717	8.5
584.41675	69.6
584.55707	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	584.2755
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
54.86147	0.3
55.05503	0.5
57.44588	0.3
58.06591	0.5
63.44796	0.3
65.03938	1.1
67.05493	0.7
69.03439	0.3
70.06591	0.5
71.52646	0.4
72.08160	5.5
74.37062	0.3
75.09222	0.3
79.05470	0.6
81.01164	0.3
81.03394	0.4
81.07048	0.6
84.08134	1.3
86.09705	0.7
91.05483	8.8
93.07061	0.5
95.08593	0.6
97.06522	0.4
109.10151	0.5
110.09666	0.4
112.11247	2.6
119.04947	20.9
119.08485	0.4
121.06467	0.4
127.03905	0.3
129.13864	1.6
131.08580	0.4
133.10133	0.3
136.06178	0.4
136.07533	0.4
146.16566	0.4
147.04413	100.0
155.11771	1.5
167.07016	0.3
172.14380	0.5
172.32040	0.3
176.73262	0.3
184.07330	0.5
191.32468	0.3
203.11816	3.7
204.10204	44.0
214.91048	0.3
217.13319	1.6
218.11769	4.8
221.12874	1.1
274.19189	0.7
275.17551	10.3
292.20212	9.1
318.18097	1.2
355.65833	0.3
420.22839	24.8
421.21060	1.6
438.23898	56.9
439.24039	0.6
501.18985	0.3
529.46405	0.3
584.27655	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	583.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.01875	2.8
55.05512	14.1
57.03452	6.0
57.07074	3.2
65.03931	1.3
67.05508	32.0
69.03415	1.0
69.07072	12.7
69.18929	9.6
71.05010	2.3
71.08618	0.9
79.05495	26.2
81.03425	1.9
81.07058	32.7
83.04977	2.1
83.08633	7.5
85.06559	2.8
91.05486	29.1
93.07048	27.7
94.07365	1.3
95.04972	3.3
95.08610	25.9
97.06544	4.1
97.10172	3.1
98.20667	1.1
99.08084	1.5
103.05495	1.9
105.04581	1.2
105.07034	28.3
106.07368	1.2
107.08598	14.2
109.06536	1.9
109.10180	13.1
111.08087	2.1
111.11659	1.4
115.05462	2.1
117.07030	11.2
119.08592	23.0
119.09463	1.3
120.08867	1.1
121.06549	1.2
121.10154	13.6
123.08071	2.7
123.11708	2.6
128.06265	2.4
129.07014	13.7
131.08583	18.0
133.10129	23.4
135.08134	1.7
135.11713	8.4
137.13234	1.4
141.06992	3.8
142.07793	2.3
143.08572	13.4
145.10127	21.1
147.11700	17.9
149.13266	4.0
155.08553	5.3
156.09361	1.5
157.10132	14.4
159.11700	14.1
161.09708	1.1
161.13277	6.0
163.11137	1.5
163.14812	1.4
165.09154	1.0
165.12833	1.1
167.08562	1.9
168.09303	1.1
169.10118	8.1
171.11702	13.2
173.13283	9.8
175.11264	1.6
175.14821	4.0
177.12799	1.0
181.10130	3.7
183.11714	7.8
185.13313	7.4
187.14844	6.7
189.16432	3.4
191.14302	1.8
193.10210	1.8
193.12123	1.1
194.12633	1.1
195.11723	4.2
197.13312	5.4
199.14873	6.7
201.16354	2.8
203.14470	1.7
203.17989	3.3
209.13281	3.4
211.13181	1.7
211.14891	4.6
213.16405	13.5
215.18036	2.8
221.13406	1.3
221.15390	2.0
223.14845	2.9
225.16412	3.3
227.18022	3.0
228.17245	0.9
229.15883	2.1
229.19540	2.0
231.17462	14.9
233.19075	1.2
235.14838	1.6
237.16302	1.1
239.18007	2.6
241.19563	1.6
247.17039	0.9
257.19009	1.7
259.20654	1.8
283.20953	1.2
305.21222	3.9
307.22748	1.2
311.23630	0.9
315.23340	1.1
333.24335	1.4
335.25818	8.4
338.27753	2.0
339.26486	1.5
381.31464	1.1
395.32443	1.0
418.76920	1.0
491.39041	6.4
509.40070	2.8
513.35303	1.1
548.40540	3.0
565.42548	8.9
583.43561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01860	2.6
55.05271	1.4
55.05513	18.4
57.03440	6.7
57.07078	4.5
65.03938	2.2
67.05504	45.6
69.03440	0.8
69.06733	1.1
69.07074	14.9
71.04482	0.6
71.04990	2.4
71.08621	1.3
71.62575	0.7
75.90901	0.7
77.03922	1.0
79.05493	43.6
81.03439	0.9
81.07056	47.4
83.04955	1.6
83.08620	8.9
85.06541	2.3
86.42094	0.7
87.04457	0.9
89.06035	0.8
91.04903	1.7
91.05483	38.2
93.07045	48.8
95.04996	4.1
95.08611	34.8
97.06536	3.2
97.10208	3.9
99.08086	1.6
99.94820	0.7
103.05482	1.5
105.04526	1.1
105.07034	35.9
106.52506	0.7
107.08598	23.7
109.06538	2.3
109.10159	14.2
111.08096	2.6
113.09682	1.1
115.05454	2.0
116.06226	0.7
117.07017	14.2
119.08585	33.0
121.10147	23.3
123.08121	1.3
123.11723	4.6
125.09648	2.0
128.06227	2.1
129.05482	0.8
129.06996	11.9
130.07785	1.7
131.08560	22.2
131.09532	1.1
133.10135	29.9
135.08147	1.2
135.11688	14.8
137.09616	1.4
137.13310	0.9
139.11273	1.0
141.07014	3.4
142.07800	3.5
143.08556	12.7
144.09341	1.3
145.10124	23.1
147.08057	1.1
147.11694	21.7
147.12807	1.3
149.09663	1.9
149.13263	8.0
151.11200	1.5
153.07005	0.9
155.08542	4.9
156.09358	1.2
157.10133	13.4
159.11691	19.0
160.12555	0.8
161.13260	12.8
163.11159	1.3
163.14825	3.0
167.08583	2.4
169.10133	6.9
171.11691	13.7
173.13280	13.7
175.11217	1.2
175.14853	6.0
177.12823	1.1
179.08589	0.9
180.09500	0.9
181.10150	3.4
183.11707	6.6
184.12379	0.8
185.13258	9.3
187.14822	7.5
189.12747	1.0
189.16422	2.1
195.11720	3.0
197.13283	5.6
199.14859	6.6
201.16345	4.5
203.14372	1.1
203.17926	2.0
209.13278	3.5
211.14883	3.4
213.12923	0.8
213.16431	8.1
215.17946	5.4
219.11717	0.9
221.13341	1.2
221.15402	1.8
223.14877	1.5
225.16452	3.2
227.14276	1.0
227.18045	2.2
229.15891	1.3
229.19504	1.0
231.17435	4.2
231.20979	2.0
233.19077	1.8
237.16467	1.8
239.18024	2.4
241.19540	9.8
243.21265	1.2
247.14771	0.9
249.16547	1.4
251.18040	1.3
253.19701	1.8
257.19058	3.1
259.20581	17.0
261.22223	1.7
263.18036	1.1
265.19519	1.3
269.18945	1.0
281.22882	1.2
285.22253	1.3
287.20245	0.9
287.23434	0.9
297.21960	1.4
299.90997	0.9
305.21106	2.3
307.22708	22.8
309.24435	1.2
311.23764	1.1
315.23318	1.9
331.22885	1.7
333.24228	14.6
335.25839	4.2
339.27039	0.9
353.28418	1.0
355.26477	0.8
373.16699	1.0
381.27664	1.5
393.31946	1.0
421.30478	1.6
471.35370	0.9
473.38562	1.5
487.34024	1.1
491.39096	8.1
501.36465	1.3
509.39975	3.3
513.35596	1.6
565.42560	10.6
583.36829	4.2
583.43622	100.0
584.43927	1.9
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
53.03935	6.5
55.01880	2.2
55.05515	18.2
57.07089	9.8
59.04995	3.3
65.03937	5.9
67.05507	30.5
69.03429	8.5
69.07073	23.1
69.28341	8.6
69.28775	7.9
71.05013	2.5
77.03928	2.2
79.05503	31.7
81.07062	39.2
83.04988	7.5
83.08625	14.2
85.06529	5.4
91.05492	47.9
93.06485	4.0
93.07053	67.5
93.07642	3.5
95.04994	12.3
95.08612	39.8
97.06545	9.7
97.10165	2.7
103.05457	5.3
105.04491	2.7
105.07041	79.4
107.04984	2.2
107.08599	54.3
109.06536	10.7
109.10165	32.3
111.08109	4.3
111.11711	2.0
113.09644	3.6
115.05489	3.3
117.07024	21.4
119.06100	2.1
119.08594	92.7
121.06549	4.4
121.10154	65.3
123.08092	12.3
123.11703	9.8
125.06022	3.4
125.09657	5.7
128.06241	12.4
129.07016	18.3
130.07808	10.0
131.08586	41.2
133.06511	3.1
133.10144	50.2
135.08080	10.0
135.11708	22.3
137.09636	12.1
139.11198	6.1
141.07004	11.3
142.07805	25.7
143.08583	40.1
144.09366	6.7
145.10133	64.7
147.08064	10.9
147.11708	19.7
149.09657	11.8
149.13287	5.7
151.07590	5.5
153.07133	3.5
154.07806	3.4
155.08569	19.0
155.10692	3.0
156.09340	18.5
157.10139	59.8
158.10889	8.9
159.08099	8.7
159.11716	35.2
161.09593	3.2
161.13260	8.1
163.11226	9.1
165.07068	7.8
165.09152	11.3
166.07805	3.1
167.08630	11.9
167.10687	54.6
168.09329	6.8
169.10130	27.1
170.10916	7.9
171.11714	36.5
173.13271	29.7
175.11221	6.6
175.14864	16.7
178.07925	2.3
179.08556	15.5
180.09274	5.3
181.10120	15.4
181.12254	7.3
182.10916	9.8
183.11731	28.8
184.12456	7.0
185.13274	19.6
187.11143	3.5
187.14920	11.1
189.12790	7.4
191.08600	3.2
191.14383	9.0
192.09392	5.4
193.10112	19.2
193.15962	2.3
194.10915	9.5
195.11707	21.3
196.12437	7.0
197.13263	21.7
199.11377	3.3
199.14879	24.3
201.12605	2.5
201.16408	9.0
203.08720	2.5
203.14352	6.7
205.10172	4.9
206.10983	8.4
207.11740	16.1
207.13643	3.4
208.12538	8.2
209.13290	26.7
209.15164	3.5
210.13904	5.1
211.11353	2.3
211.14859	15.8
212.15323	2.3
213.12714	3.1
213.16481	3.2
215.14378	7.5
217.10175	4.4
217.15840	15.7
219.11745	7.8
219.17516	2.8
220.12416	7.3
221.13287	15.8
221.15434	23.3
222.13995	4.3
223.14816	18.4
225.12762	2.5
225.16406	7.8
227.14337	4.3
229.10130	2.6
231.11737	5.3
232.12427	5.3
233.13246	8.4
233.15421	14.1
234.14052	4.4
235.14775	14.3
236.15506	3.7
237.16374	7.2
239.14381	4.2
239.17972	5.8
245.13374	7.8
246.14122	4.7
247.14900	7.7
247.17099	2.5
248.15649	3.0
249.16447	9.6
250.17149	2.1
251.14487	2.3
251.18044	6.4
253.19559	3.2
255.17442	2.9
257.13190	3.5
257.19077	6.0
259.14767	5.9
260.15698	5.7
261.16449	9.4
263.17950	8.3
265.19519	9.0
269.19089	5.3
271.14789	2.9
272.15439	3.0
273.16367	5.5
275.17896	8.1
277.19482	5.6
281.18964	3.1
283.20575	11.0
285.18741	2.7
287.17804	4.2
289.19379	4.7
290.20407	3.0
293.19022	2.8
295.20590	3.7
299.20239	3.1
301.19342	3.3
303.21112	2.7
307.20361	2.9
331.24338	3.8
343.24326	3.0
349.25323	6.9
361.25372	3.7
365.24872	3.4
377.24774	2.8
381.25635	2.4
403.30182	2.9
417.26410	2.4
491.34915	6.0
503.35077	2.7
547.39325	4.2
565.40411	21.6
583.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01870	1.1
55.05513	12.0
57.07091	7.9
59.05012	2.2
65.03934	3.0
67.05511	19.2
69.03461	5.1
69.07078	14.3
69.22192	7.3
69.22596	1.7
71.05007	1.4
79.05501	23.8
81.07067	27.7
83.04999	7.7
83.08629	7.4
85.06549	4.8
91.05488	33.9
93.07056	41.6
93.07642	2.3
95.04987	6.7
95.05539	1.2
95.08619	25.9
97.06534	3.8
97.10210	2.2
103.05490	2.6
105.04516	1.4
105.07041	53.5
107.04989	1.3
107.08605	33.9
109.06524	7.3
109.10165	18.6
111.08076	2.9
115.05476	3.5
116.06272	1.5
117.07029	12.4
119.08595	58.9
121.06538	3.9
121.10156	44.4
123.08079	13.2
123.11728	6.3
125.05991	2.5
125.09644	1.9
128.06239	8.5
129.07024	12.3
130.07817	5.1
131.08586	24.3
132.09412	1.3
133.06532	2.4
133.10152	30.1
135.08083	6.9
135.11697	10.8
137.09642	8.0
139.11223	2.9
141.06967	6.0
142.07794	13.8
143.08585	28.2
144.09363	4.6
145.06578	1.2
145.10138	42.2
147.08102	7.4
147.11693	13.9
149.09604	7.1
149.13277	2.0
151.07559	12.5
151.11238	1.9
153.07042	2.6
154.07785	3.4
155.08568	13.3
155.10655	1.8
156.09369	11.9
157.10150	38.1
158.10959	5.0
159.08081	4.0
159.11710	21.2
161.09656	3.5
161.13298	6.6
163.11176	5.8
165.07033	4.5
165.09120	12.9
166.07777	3.6
167.08627	8.2
167.10692	23.7
168.09315	6.0
169.07892	1.1
169.10147	22.8
170.10957	5.7
171.11696	23.5
173.09680	3.0
173.13290	18.6
175.11223	3.8
175.14851	8.5
178.07814	1.7
179.08525	7.2
180.09377	5.0
181.10150	12.8
181.12085	4.7
182.10931	8.4
183.11700	20.0
184.12486	2.9
185.09686	1.2
185.13306	13.6
187.11238	2.4
187.14838	6.1
189.12793	4.6
189.16441	1.4
191.08623	1.7
191.14330	6.4
192.09401	3.2
193.10143	10.7
194.10910	9.2
195.11716	19.6
196.12419	5.2
197.13278	18.1
199.11215	1.6
199.14835	11.2
201.12785	2.3
201.16408	4.7
203.14352	7.1
204.09331	1.6
205.10146	3.5
206.10921	5.9
207.11734	11.4
207.13855	5.2
208.12436	6.0
209.13287	21.0
209.15141	1.4
210.14069	3.3
211.11171	1.8
211.14847	11.8
213.12869	1.8
213.16467	3.8
215.14412	3.0
217.10196	2.2
217.15942	7.3
218.10875	2.7
219.11719	6.6
220.12508	4.7
221.13289	11.3
221.15445	24.7
222.14095	3.3
223.14832	12.5
224.15529	1.6
225.12727	1.7
225.16367	7.5
227.14447	2.0
227.17899	1.3
229.15842	2.1
230.10983	2.3
231.11604	4.9
231.17551	1.6
232.12611	3.5
233.13278	6.8
233.15474	8.1
234.14090	3.0
235.14851	11.1
235.17018	1.7
236.15608	2.7
237.12825	1.6
237.16486	7.0
239.18053	4.0
243.11566	1.4
243.17380	1.2
244.12630	1.9
245.13303	5.5
246.14102	3.8
247.14842	7.1
247.17044	2.0
248.15590	2.8
249.16389	6.8
250.17253	1.6
251.14326	1.6
251.18016	5.6
253.15877	1.5
255.17538	2.9
257.13251	2.1
257.19037	5.7
258.14117	2.1
259.14749	5.5
260.15710	3.4
261.16452	7.1
262.17166	1.2
263.18036	5.5
265.16757	1.1
265.19504	5.7
267.17538	1.6
269.19083	6.2
271.14893	2.7
271.20740	1.9
272.15585	1.3
273.16409	4.1
275.17947	7.3
277.16046	1.2
277.19705	3.7
279.17697	1.3
281.19019	2.2
283.20700	8.7
285.16162	1.5
287.17792	2.1
287.20578	1.4
288.18637	1.7
289.19583	3.8
291.21292	1.5
293.19104	2.0
295.20581	3.5
297.22141	1.1
299.20193	2.9
301.19504	3.0
303.21179	1.6
305.22464	1.4
307.20599	2.3
309.16510	1.3
309.22305	1.9
315.21130	2.2
319.20636	1.1
329.22632	1.9
331.24219	3.5
333.22327	1.4
335.23718	2.6
341.22723	1.4
343.24475	1.5
347.23697	2.2
349.25470	5.1
349.28952	1.1
357.25601	2.5
359.23602	1.6
361.25424	3.2
365.24683	1.9
375.27026	2.1
377.24670	1.0
385.28912	1.6
401.28214	1.9
403.29984	5.6
417.27579	1.2
427.30191	1.3
491.35349	2.4
503.35556	2.7
513.51947	1.2
547.39435	5.0
554.44684	1.2
565.40472	22.4
583.41516	100.0
599.62292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01873	1.8
55.05518	11.5
57.03435	1.1
57.07074	6.6
57.76428	1.0
59.05008	2.8
59.79840	1.0
65.03941	2.8
67.05511	20.4
69.03434	8.6
69.07069	13.0
71.04983	1.7
79.05499	16.9
81.07065	27.5
83.04987	4.2
83.08640	7.5
85.06554	5.6
91.05487	33.6
93.07050	44.9
95.04980	7.8
95.08614	28.1
96.66135	1.0
97.06529	3.6
99.09241	1.2
103.05463	4.1
105.04533	1.8
105.07042	52.1
105.28370	1.1
107.04924	1.4
107.08604	34.7
109.06534	5.9
109.10166	16.7
111.08102	2.6
115.05487	5.3
116.06263	1.5
117.07027	12.8
119.08598	60.6
121.06522	5.1
121.10149	32.6
123.08082	13.4
123.11733	4.0
125.06039	3.1
125.09636	2.2
128.06238	10.6
129.07013	15.1
130.07806	4.4
131.07623	1.3
131.08586	23.9
133.06541	2.2
133.10141	30.7
135.08070	9.5
135.11719	8.8
137.09645	10.1
139.11220	1.6
141.06992	6.6
142.07796	20.6
143.08571	30.3
144.09372	6.2
145.10135	39.7
147.08055	15.6
147.11685	12.8
149.09659	4.3
149.13306	1.8
151.07564	13.8
151.11176	1.4
152.06207	1.5
153.07024	3.1
154.07817	3.1
155.08565	12.9
155.10577	1.5
156.09358	15.2
157.10147	39.5
158.10899	6.0
159.08046	2.6
159.11703	21.1
159.12909	2.0
161.09644	4.0
161.13298	6.1
163.11192	7.0
165.07004	4.6
165.09131	25.2
166.07817	2.3
167.08551	7.7
167.10696	7.5
168.09406	7.1
169.10153	19.3
170.10912	6.9
171.11703	22.7
172.12488	1.5
173.09729	2.4
173.13283	17.9
175.11237	2.7
175.14850	6.8
177.09113	1.8
178.07706	1.8
179.08542	12.5
180.09351	6.6
181.10159	13.1
181.12253	3.9
182.10962	6.9
183.11708	21.4
184.12535	3.4
185.09633	2.3
185.13278	17.6
187.11198	2.1
187.14857	6.2
189.12715	6.7
189.36702	1.2
191.08582	2.1
191.14316	6.4
192.09383	4.8
193.10094	10.6
193.11737	1.4
194.10893	7.6
195.11725	16.3
196.12466	6.2
197.13272	18.2
198.14088	1.5
199.11188	2.7
199.14865	11.4
201.12836	1.6
201.16402	1.9
203.14308	11.5
204.09482	1.4
205.10133	2.3
206.10866	5.4
207.11751	13.6
207.13850	6.7
208.12505	5.1
209.13289	21.2
209.15115	1.5
210.14032	4.2
211.11208	1.3
211.14853	9.8
213.16452	3.3
215.14339	3.2
217.10147	2.9
217.15919	5.8
218.10991	2.0
219.11768	5.2
219.13815	1.3
220.12511	5.9
221.13297	12.7
221.15434	54.4
222.14105	4.4
223.14824	11.4
225.16446	5.3
227.14343	2.0
229.10118	1.6
229.15897	1.4
231.11790	5.2
231.17535	2.2
232.12549	3.5
233.13274	8.8
233.15500	4.6
234.14122	2.7
235.14841	11.5
236.15466	1.5
237.16451	5.6
239.14326	2.0
239.17990	4.0
243.11736	1.5
244.12592	2.6
245.13341	6.2
246.14087	3.8
247.14839	6.2
247.17033	2.0
248.15599	2.0
249.16451	7.3
250.17332	1.4
251.18037	3.8
255.17334	2.0
257.13339	3.4
257.19064	4.4
258.14230	1.7
259.14905	4.9
260.15552	2.7
261.16406	5.7
263.17804	6.2
265.19592	4.6
269.19049	3.7
271.14777	2.2
271.20688	2.3
273.16458	3.4
274.17270	1.4
275.17862	8.8
277.19571	4.1
279.17523	2.1
279.21017	1.3
283.14948	1.2
283.20618	9.6
285.16098	1.5
287.17737	3.0
287.20520	2.0
288.18579	1.4
289.19565	3.1
293.19043	1.5
295.20624	4.5
297.22195	2.6
299.20258	2.4
301.19199	2.6
303.21158	2.1
307.20352	1.6
309.22461	1.3
319.20529	1.7
331.24213	3.6
335.23590	1.8
347.23651	1.5
349.25290	4.9
352.24136	1.3
357.25748	2.3
375.26913	6.3
403.30075	7.3
427.29755	1.3
491.34930	2.5
503.35147	4.4
509.34552	1.7
547.39465	2.4
565.40472	22.8
583.41504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
53.95576	1.1
54.00413	1.0
55.01865	1.1
55.05513	15.1
57.03433	1.2
57.07076	8.4
59.04991	3.3
65.03945	3.5
67.05509	26.0
69.03433	5.8
69.06730	1.9
69.07075	19.2
69.21481	5.1
69.21905	6.1
70.41691	1.0
72.03468	1.0
77.03931	1.3
79.05500	26.1
80.06290	1.2
81.03441	1.4
81.07062	32.9
83.04980	8.5
83.08618	9.1
85.06535	6.7
87.04452	1.5
91.04906	2.0
91.05486	46.7
93.07051	51.0
93.53723	1.1
95.04991	7.1
95.08614	32.0
97.06531	5.0
97.10193	2.1
99.08121	1.6
103.05464	3.5
103.39822	1.2
105.04562	1.5
105.07039	68.7
107.04961	2.5
107.08601	45.1
109.06512	7.8
109.10161	19.9
111.08098	2.8
115.05475	4.5
116.06226	1.3
117.07038	18.3
119.08591	80.5
121.06523	4.4
121.10146	44.8
121.86243	1.1
123.08067	14.7
123.11698	6.2
125.06013	4.8
125.09637	2.0
128.06221	12.0
129.07013	16.1
130.07813	6.7
131.08578	33.7
133.06532	3.8
133.10147	38.1
135.08078	10.4
135.11691	15.4
137.09618	12.8
139.07520	1.4
139.11176	2.5
139.32413	1.1
141.07001	7.8
142.07794	22.6
143.08566	39.7
144.09344	5.7
145.10135	51.4
147.08073	17.7
147.11700	17.0
149.09627	6.0
149.13281	4.6
151.07565	14.4
151.11205	1.9
153.06975	3.4
153.09084	1.1
154.07799	3.1
155.08571	16.8
156.09363	18.4
157.10141	49.7
158.10971	7.5
159.08072	3.3
159.11710	28.7
161.09641	7.0
161.13304	7.6
163.11165	6.7
165.07077	5.5
165.09131	30.6
166.07846	2.7
167.08565	10.6
167.10658	12.4
168.09384	7.9
169.10138	24.3
170.10901	9.8
171.11699	25.8
172.12431	3.1
173.09688	2.7
173.13280	24.9
175.11250	4.0
175.14807	9.0
177.09116	1.7
177.12900	1.6
178.07787	2.0
179.08556	12.3
179.14409	2.0
180.09386	5.3
181.01433	1.5
181.10126	15.6
181.12234	8.3
182.10895	8.3
183.11699	31.0
184.12512	6.0
185.09698	1.8
185.13274	18.4
187.11232	2.6
187.14873	6.4
189.12770	7.7
191.08609	2.2
191.14311	8.3
192.09312	6.9
193.10179	15.4
194.10956	13.3
195.11736	20.9
195.13490	2.3
196.12486	6.8
197.13292	22.8
198.14088	2.6
199.11198	3.2
199.14821	15.9
201.12856	3.5
201.16353	3.0
203.14339	14.4
204.09299	1.8
205.10158	5.1
205.15865	1.7
206.10939	7.1
207.11743	19.9
207.13817	5.4
208.12506	8.8
209.13290	25.1
209.15170	1.7
210.14070	4.0
211.11235	2.1
211.14813	13.9
212.15552	1.7
213.12750	3.2
213.16444	3.9
215.14413	2.8
217.10120	3.7
217.12262	1.1
217.15843	9.0
218.10973	3.1
219.11790	8.2
219.17244	1.4
220.12544	4.9
221.13298	15.8
221.15430	56.8
222.14113	4.1
223.14804	15.1
224.15547	3.3
225.12787	2.5
225.16386	6.6
227.14276	2.3
227.18051	2.0
230.10860	2.7
231.11707	5.7
231.17422	2.7
232.12483	4.4
233.13278	9.9
233.15442	4.7
234.14137	5.3
235.14777	13.1
235.16930	1.4
236.15422	1.9
237.12877	1.6
237.16368	7.7
239.18001	3.9
241.15898	1.4
243.11778	2.8
243.17555	1.9
244.12570	3.9
245.13249	8.0
246.13982	6.2
247.14864	9.1
247.16980	1.7
248.15631	2.0
249.16437	10.1
250.17117	2.1
251.14296	1.4
251.17902	5.6
253.15852	2.8
253.19585	1.6
256.12616	1.7
257.13187	3.7
257.19125	7.5
258.13995	1.5
259.14813	7.2
260.15665	4.5
261.13974	1.5
261.16351	9.8
262.17261	1.9
263.18069	6.1
265.16415	1.1
265.19553	7.8
267.17505	3.4
269.19055	4.1
271.14682	2.7
271.17459	1.5
271.20575	2.3
273.13751	1.4
273.16293	5.6
274.17203	2.2
275.17880	9.7
277.19556	3.1
279.21143	2.5
281.18994	2.8
283.14804	1.9
283.20578	14.0
285.16336	2.4
287.17831	3.9
287.20483	2.6
288.18741	1.5
289.19540	4.9
291.17535	1.7
291.21109	2.8
293.19159	1.7
295.20651	3.2
297.22141	5.1
299.20328	2.0
300.20926	2.3
301.19269	2.8
305.22650	1.5
307.20627	2.3
309.22150	2.6
313.19141	1.4
315.21112	1.6
319.20584	1.4
327.21042	1.7
329.22729	2.1
331.24237	5.9
343.24261	2.2
347.23917	1.9
348.24469	1.4
349.25250	9.9
352.23990	2.1
357.26004	1.9
359.23709	1.7
361.25336	2.9
365.25052	2.1
375.26889	6.6
403.29819	6.2
420.27307	1.4
491.35278	5.4
503.35223	3.9
509.34402	2.4
547.39362	2.4
565.40436	20.2
583.41583	100.0
584.41217	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05514	22.9
57.03433	12.6
57.07063	6.2
67.05184	3.2
67.05508	42.0
68.05839	2.7
69.03442	2.3
69.07070	21.2
69.20358	3.7
69.20753	15.8
71.04977	4.5
79.05077	2.9
79.05499	26.7
81.03421	32.9
81.07060	44.0
82.07388	5.5
83.05001	9.2
83.08619	21.7
85.02915	10.8
85.06543	3.8
85.10181	2.5
87.04462	2.4
87.33517	1.8
91.05489	22.8
93.07051	27.8
94.07356	3.0
95.04977	14.0
95.08613	39.1
96.08931	4.0
97.02908	2.6
97.06530	5.5
97.10155	7.6
105.06537	1.9
105.07050	19.4
107.04958	4.1
107.08616	13.2
108.08883	2.3
109.06529	1.7
109.10145	11.8
111.08064	6.8
117.06961	2.5
117.91864	1.9
119.08596	18.2
121.10170	12.2
123.11699	8.5
129.06995	5.6
131.08548	8.2
133.10133	11.0
135.11719	9.5
136.12067	2.0
142.07903	2.4
143.08575	3.6
145.10161	9.1
146.10423	2.7
147.11702	11.7
149.09613	2.9
149.13264	2.2
157.10138	11.5
159.11694	3.2
161.13319	4.1
163.11197	6.4
164.11528	4.0
169.10062	3.2
171.11757	2.1
173.13257	1.9
175.11160	7.7
183.11641	2.0
193.12265	20.8
201.16422	2.0
211.13298	35.3
227.12750	7.4
228.13176	3.1
229.13324	1.9
251.12390	1.9
267.15918	7.8
269.13763	3.1
283.26346	13.1
284.15723	5.6
285.16986	34.5
337.27396	78.8
338.27762	7.0
339.28171	9.0
352.23944	3.6
444.30154	2.6
529.38824	7.5
542.71301	2.1
547.39874	100.0
564.39380	3.9
582.40637	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.47190	0.6
55.05515	1.0
55.76162	0.8
66.34052	0.9
67.05502	4.8
68.71436	0.7
69.03422	0.8
69.07057	1.9
70.17258	0.9
73.08365	0.7
73.58956	0.8
79.05486	2.8
81.03407	2.2
81.07046	3.1
83.08611	1.3
85.02902	1.1
91.05477	2.8
93.07044	2.2
95.04970	1.4
95.08620	1.7
98.20731	1.7
105.07039	2.0
107.08615	1.0
109.10124	1.9
109.18016	0.7
119.08599	1.4
121.10133	1.5
131.08553	1.5
133.10146	2.1
135.11751	0.9
137.09619	0.9
145.10120	1.8
147.11652	0.8
149.09718	0.9
171.11763	1.0
181.10123	1.0
197.10593	0.9
204.10280	1.3
208.09924	1.3
213.10242	1.5
216.10210	2.4
220.09764	1.0
221.10831	1.1
223.12321	0.8
230.11838	3.6
245.10606	1.2
246.11325	0.9
251.11835	4.3
252.15073	1.0
258.11362	0.9
260.11551	1.4
263.11801	1.0
264.11514	1.2
265.12183	1.5
276.12512	1.4
278.12735	1.6
280.14474	7.0
284.11581	0.8
296.13870	1.3
301.12094	1.4
304.11813	12.9
306.15964	2.3
314.13098	1.1
319.12946	3.5
328.14420	2.3
329.15070	0.8
340.14529	1.2
342.16046	2.9
343.12985	2.0
343.16974	1.3
344.17596	1.0
356.17679	3.7
374.14810	4.0
386.14984	1.7
387.15479	4.4
389.17181	0.9
402.18231	8.8
407.18826	1.3
435.18091	0.9
436.18951	2.1
439.27277	0.9
464.28659	1.0
481.22266	2.4
491.19302	0.9
495.20325	0.9
509.21738	1.9
523.23425	1.6
565.24048	1.4
568.22992	3.2
583.25476	100.0
584.25916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.6
55.05509	22.0
55.83913	2.7
57.03434	12.0
57.07073	5.5
65.03958	4.4
67.05505	55.2
69.03419	3.1
69.07060	23.8
69.21798	18.5
69.22206	8.4
70.34857	2.6
71.04995	4.3
71.08636	2.9
79.05487	26.7
81.03410	42.6
81.07056	53.5
82.43098	2.7
83.04980	9.6
83.08620	20.2
85.02891	17.1
89.06053	3.1
91.05477	33.7
93.07052	27.9
95.04971	26.0
95.08610	37.1
97.10151	7.0
105.07027	32.9
107.08612	16.9
109.06525	8.9
109.10154	16.5
111.08099	9.7
114.88540	2.8
117.07014	3.9
119.08582	31.0
121.06502	3.6
121.10136	20.0
123.08047	7.2
123.11681	5.2
129.06979	9.5
131.08551	15.9
133.08606	5.3
133.10162	15.5
135.08083	3.5
135.11700	6.4
137.13341	3.0
141.06952	5.3
142.07877	2.9
143.08556	9.8
145.10126	13.5
147.08063	5.2
147.11659	13.6
149.09630	8.2
157.10118	25.8
159.08107	5.6
159.11682	6.9
161.13307	5.9
165.12904	3.5
169.10188	8.2
171.11752	4.1
173.09634	4.4
173.13245	4.1
175.11182	14.7
179.08575	3.2
180.09270	2.9
181.10164	4.9
183.11636	5.6
185.13292	3.6
193.10338	4.2
193.12231	33.5
195.11691	6.1
207.11652	4.2
209.13205	4.6
211.13272	55.2
217.15808	3.4
262.77780	3.0
263.23795	5.0
267.15762	4.9
273.18503	6.9
283.26215	3.0
285.16901	42.6
299.19943	5.5
337.21503	3.6
337.27399	60.7
352.23947	15.5
365.24319	3.5
444.30157	9.6
529.38879	8.1
547.39966	100.0
564.39679	3.8
582.40637	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.3
57.07072	5.4
61.52171	3.0
67.05521	18.8
69.03403	5.4
69.07076	16.1
69.22800	28.3
72.78009	2.7
75.72434	2.7
79.05499	21.1
81.07063	31.4
83.08627	6.1
91.05488	30.9
93.07057	48.2
95.04969	39.9
95.08634	21.3
97.10179	4.3
97.99607	3.1
98.20988	13.0
103.05463	5.1
105.07041	74.1
107.08618	25.9
109.06512	6.9
109.10134	12.3
111.08153	3.3
115.05431	6.1
117.07049	23.3
117.25735	3.0
119.04946	5.7
119.08587	68.3
121.06480	5.0
121.10168	55.7
123.08063	13.7
128.06183	10.0
129.07001	14.4
130.07773	10.6
131.08585	32.5
132.09392	3.6
133.06494	11.6
133.10132	23.2
135.08061	7.8
135.11661	11.1
137.09549	3.2
141.06989	7.9
142.07779	11.6
143.08563	49.8
144.09380	4.3
145.06435	6.2
145.10133	76.8
146.07254	8.6
147.08008	11.3
147.11687	13.3
149.09570	17.0
153.07011	8.7
154.07903	4.2
155.08588	15.9
156.09332	9.5
157.10138	41.4
158.07188	3.4
158.10928	7.5
159.08081	16.0
159.11679	14.3
161.09621	9.4
163.11227	7.5
164.37386	3.1
165.07010	7.5
167.08545	11.4
167.10690	60.9
168.09361	5.8
169.10103	35.7
170.10912	9.6
171.11743	24.1
172.12523	4.1
173.09598	10.2
173.13220	13.2
174.10466	4.4
175.11240	4.0
175.14748	3.8
178.07896	3.2
179.08583	11.8
180.09326	9.5
181.10138	19.6
182.10915	11.1
183.11719	19.9
184.12520	4.4
185.09653	8.1
185.13254	13.0
187.11224	11.3
189.12685	8.4
191.10693	3.2
191.14330	10.9
192.09360	3.9
193.10103	12.6
194.10841	9.1
195.11726	25.6
196.12482	7.7
197.09694	7.9
197.13240	20.6
199.11195	14.4
199.14636	4.3
201.12758	7.1
206.10887	8.9
207.11653	16.5
208.12334	5.3
209.13243	17.8
210.13983	4.0
211.11101	5.1
211.14854	17.8
212.12000	3.6
213.12726	8.2
213.16357	3.1
217.10268	4.2
219.11646	6.2
220.12531	7.3
220.14619	11.3
221.13237	15.0
221.15320	6.2
222.13860	5.6
223.11134	11.0
223.14882	8.9
225.12698	9.0
227.12689	8.4
229.12170	3.9
230.10812	4.3
231.11723	3.5
232.12547	5.7
232.14673	4.8
233.13326	7.2
233.15375	34.1
234.13937	4.5
235.14772	9.3
237.12730	4.0
245.13286	4.1
246.16307	6.0
247.14767	4.8
247.16985	3.4
249.12518	4.1
249.16425	3.9
251.14319	3.6
251.18042	3.9
253.15892	5.3
261.16260	4.3
265.15891	11.5
273.18524	11.4
277.15836	6.6
283.15295	7.8
287.20279	5.9
291.17545	4.4
293.19019	3.5
297.18497	5.4
298.19312	7.7
299.20029	17.4
300.20901	4.2
303.21222	4.7
309.22141	3.5
310.19214	5.1
311.20129	9.4
323.20062	5.0
333.22256	3.8
335.20105	17.9
337.21695	23.7
339.29071	8.8
349.21460	6.8
350.22290	7.6
351.23236	14.5
352.24002	100.0
353.24625	7.2
363.23218	17.9
365.24658	9.5
376.24197	5.4
389.24792	3.8
434.28262	4.1
443.29755	3.9
444.30316	55.7
490.34256	22.2
547.39844	7.2
564.39185	5.1
582.40753	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.05506	9.5
57.07070	4.7
67.05508	36.0
68.05853	2.4
69.03429	5.0
69.07079	15.8
71.04996	7.2
71.17332	4.5
79.05495	22.3
81.03422	3.3
81.07057	33.1
83.04988	4.3
83.08623	6.7
85.06550	3.1
91.05484	43.3
93.07047	49.7
95.04966	42.2
95.08615	24.8
97.06516	4.5
97.10191	2.2
101.86032	2.6
103.05522	3.2
105.07037	54.6
107.08596	26.2
109.06535	7.6
109.10163	28.3
115.05437	6.0
117.07027	19.8
118.07768	2.7
119.04927	2.9
119.08585	59.7
121.06541	2.2
121.10146	45.4
123.07323	2.1
123.08083	11.5
123.11669	2.9
128.06247	9.1
129.07010	14.3
130.07759	4.1
131.08585	31.6
133.06543	11.4
133.10146	27.9
135.08058	6.9
135.11707	7.7
136.30299	2.0
137.09650	6.4
138.10440	5.6
139.11211	4.2
141.06993	8.1
142.07753	14.4
143.08568	37.9
144.09317	3.1
145.06505	2.6
145.10130	61.3
146.07292	3.9
146.19713	2.5
147.08064	8.3
147.11697	11.6
149.09625	16.0
151.11156	4.5
153.06950	2.7
154.07802	5.6
155.08531	16.8
156.09305	11.7
157.10147	34.7
158.10942	6.8
159.08038	12.1
159.11700	14.5
161.09656	9.3
161.13280	4.4
163.11136	2.8
165.06996	4.7
166.07755	2.5
167.08556	10.0
167.10677	52.2
168.09328	7.6
169.10130	30.4
170.10944	7.5
170.53894	2.4
171.08086	2.9
171.11684	24.2
173.09631	11.4
173.13283	10.5
174.10439	3.1
175.11206	6.4
175.14844	3.3
178.07870	2.7
179.08530	11.0
180.09386	5.3
181.10158	19.0
182.10950	9.7
183.08098	2.5
183.11711	21.7
184.12424	2.8
185.09666	8.7
185.13295	8.1
186.10393	2.5
187.11234	9.4
189.12784	7.6
191.10780	2.9
191.14314	5.7
192.09413	5.7
193.10147	11.2
194.10977	8.9
195.11662	18.2
196.12543	7.3
197.09642	6.2
197.13293	16.6
198.14058	3.5
199.11211	15.4
201.12817	4.6
203.14360	3.5
205.83867	2.2
206.10789	3.6
207.11722	11.1
208.12440	4.8
209.13290	17.2
211.11320	2.6
211.14885	12.9
213.12907	4.7
215.14388	7.6
217.10182	3.1
219.11752	6.4
220.12599	3.7
220.14607	6.9
221.13333	11.1
221.15289	4.9
223.11172	8.2
223.14796	8.1
225.12793	8.2
225.16319	2.6
227.14297	2.7
229.54602	2.6
231.11707	4.3
233.13242	5.8
233.15341	29.2
235.14853	8.1
237.12752	4.6
237.16472	4.0
241.16008	2.8
245.13208	4.2
247.14781	3.6
247.17079	4.1
249.12794	4.0
249.16516	3.2
251.14311	4.0
253.15872	2.7
260.17844	3.3
261.16425	4.6
263.14453	3.8
265.15942	6.4
273.18564	13.3
277.15942	5.4
277.19220	2.4
285.16849	3.5
286.19287	4.7
287.18445	3.7
289.16339	3.0
291.20993	3.0
297.18533	4.9
298.19302	7.7
299.20071	18.9
309.22092	3.1
310.19153	6.3
311.20038	4.1
323.20200	3.8
324.20728	2.9
335.20099	6.0
335.26031	5.5
337.21625	17.3
337.27399	5.0
338.22473	4.3
343.20023	2.3
345.22131	2.5
348.42020	2.6
349.21762	4.1
350.22485	4.2
351.23340	7.4
352.23981	84.4
353.24728	4.9
363.23300	9.6
364.24048	3.4
365.24805	6.5
376.23947	4.9
389.24634	2.7
429.27570	5.4
434.28009	3.9
443.29343	4.9
444.30341	29.9
472.33533	3.0
489.35757	20.4
490.34128	13.6
503.36331	3.2
547.39972	18.8
564.39459	5.0
582.40717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.05511	6.1
57.07067	3.7
59.04995	2.0
60.46653	1.0
65.03931	3.1
67.05510	10.6
69.03421	3.4
69.07080	7.9
69.94257	4.4
79.05499	15.7
79.05924	1.9
81.07064	22.4
83.04998	3.1
83.08621	4.7
85.06543	3.5
87.04459	1.3
91.05486	28.4
93.07051	25.8
95.04975	41.3
95.08615	11.5
97.06516	2.4
103.05451	2.8
105.04503	1.3
105.07044	45.8
106.07838	2.4
107.04994	1.7
107.08606	32.1
107.87170	1.2
109.06530	8.3
109.10167	10.7
115.05428	5.0
116.06287	1.6
117.07013	14.9
117.53718	1.2
119.04944	2.9
119.08595	48.8
120.09421	2.4
121.06513	4.8
121.10150	24.6
122.07287	3.5
122.10902	1.1
123.08088	11.2
123.11729	4.1
125.09668	1.4
128.06212	10.1
129.07007	13.2
130.07802	6.3
131.08575	29.8
132.09363	2.0
133.06500	3.3
133.10135	24.3
134.07310	1.9
135.08054	13.8
135.11714	6.7
136.08867	1.1
137.09669	3.6
138.10442	3.4
139.11214	1.7
139.48233	1.1
141.07007	5.7
142.07793	13.7
143.08568	47.2
144.09358	6.3
145.06490	3.7
145.10130	45.5
147.08052	7.3
147.11708	12.7
148.08884	3.0
149.09642	5.6
151.11168	2.1
153.07001	3.9
154.07800	3.7
155.08572	16.1
156.09346	12.4
157.10143	39.7
158.07289	2.4
158.10941	6.4
159.08046	9.4
159.11699	17.2
160.08852	2.9
161.09631	14.6
161.13284	2.7
163.11279	1.8
165.07014	7.3
166.07817	3.0
167.08603	8.6
167.10652	5.8
168.09340	6.3
169.10127	22.7
170.10925	7.2
171.08078	4.9
171.11710	26.5
172.08878	3.7
172.12473	3.3
173.09636	13.5
173.13257	9.4
175.11205	5.9
177.09152	1.9
178.07826	2.7
179.08559	9.9
180.09386	5.8
181.10130	19.5
182.10945	7.9
183.08127	2.1
183.11714	22.6
184.12494	2.9
185.09608	8.0
185.13257	12.4
186.10416	3.2
186.14053	1.9
187.11157	10.9
187.14899	4.3
188.11975	4.5
189.09161	5.2
189.12752	6.8
191.08614	2.3
191.14316	6.6
192.09357	4.6
193.10176	13.2
194.10880	7.7
195.08134	1.4
195.11711	20.1
196.08795	1.7
196.12465	5.1
197.09691	6.0
197.13271	17.5
198.10493	1.6
198.14067	3.0
199.11176	13.8
199.14864	7.4
200.11975	1.8
200.15436	1.1
201.09106	1.2
201.12784	5.3
201.16382	1.9
203.08658	1.5
203.14369	4.1
205.10199	4.2
206.10927	5.1
207.11725	15.4
208.12456	6.8
209.09737	2.2
209.13260	17.0
210.10475	3.3
210.14070	4.0
211.11284	8.6
211.14845	9.4
212.11961	2.6
213.12727	7.3
213.16420	3.6
214.13625	1.9
215.10797	1.8
215.14313	5.6
217.10173	4.8
217.12134	2.3
217.15886	3.6
218.10971	2.5
219.11731	6.1
220.12529	3.6
221.09683	1.6
221.13271	11.3
222.14087	4.2
223.11369	6.8
223.14806	12.7
224.12047	1.5
224.15640	2.5
225.12732	10.4
225.16400	3.9
227.14316	13.0
229.10208	2.2
229.12267	1.4
230.10899	2.7
231.11717	6.9
231.13791	1.7
232.12520	3.4
233.13303	8.8
233.15469	2.3
234.14044	2.6
235.11255	3.4
235.14816	9.3
237.12843	4.1
237.16385	4.3
238.13474	1.4
238.17168	2.6
239.14282	4.0
239.18082	4.4
240.15202	1.5
241.15965	3.6
243.11717	2.1
244.12537	2.6
245.13312	5.2
245.15504	2.6
246.14143	3.0
247.11191	1.9
247.14804	5.8
248.11890	1.3
248.15771	3.0
249.12700	2.4
249.16444	4.7
251.14366	3.9
251.18069	1.9
253.15852	7.7
255.17442	5.2
256.12640	1.6
256.18396	1.4
257.13177	1.7
257.15628	1.4
257.18866	1.7
258.14041	1.8
259.11188	1.4
259.14886	4.4
261.16299	5.1
263.14383	2.9
263.17938	2.2
265.15915	5.2
267.17334	1.8
269.19003	1.9
271.17020	4.0
273.16412	2.2
273.18542	58.4
275.14539	2.9
275.18082	3.2
277.15958	5.6
277.19495	2.7
279.17511	3.0
281.18909	2.3
285.16174	1.3
286.19406	4.9
287.14307	1.6
287.20386	2.1
289.15921	7.6
289.19440	3.0
291.17523	4.3
291.21188	4.3
293.19208	1.3
299.20172	18.1
300.20999	2.6
301.19470	2.4
303.17401	1.2
304.18063	1.2
305.19077	2.2
307.20566	2.9
309.22208	2.1
311.20181	3.2
312.21002	1.8
313.19385	2.0
315.17642	1.4
315.21051	1.4
319.20624	6.3
323.20349	1.7
325.21866	5.6
333.22144	1.9
334.22925	2.3
337.21722	23.5
338.22485	2.4
339.23380	2.7
345.22189	2.6
347.23679	1.3
349.21851	1.4
350.22406	1.6
351.23264	5.1
352.23987	100.0
353.24942	5.3
357.22266	2.2
363.23416	7.2
365.24823	8.4
373.25427	1.2
375.23215	1.7
376.24033	4.6
391.26416	2.1
401.28497	2.2
406.28763	2.0
429.27954	3.6
431.29688	1.1
434.28326	5.8
443.29395	3.3
444.30234	38.4
445.31110	6.7
472.33731	2.9
490.34460	17.8
521.37952	1.8
526.34467	2.8
549.37079	1.1
564.39447	2.8
582.40698	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50792	0.6
53.03946	1.7
55.01877	1.0
55.05515	9.9
57.03440	2.5
57.07066	2.0
59.02449	0.6
64.07349	0.5
65.03937	1.3
67.05510	17.5
69.03439	1.3
69.07072	12.2
71.04991	1.5
79.05495	15.2
81.07063	19.1
83.04987	2.0
83.08627	4.7
85.06559	1.8
88.84219	0.6
91.05484	14.9
91.06025	1.0
93.07048	15.5
95.04963	2.6
95.08612	16.4
97.06523	2.7
97.10178	2.5
98.21518	1.5
99.08121	0.9
99.92665	0.5
103.05456	1.1
105.04553	0.6
105.07038	15.9
107.08598	10.7
109.06548	1.0
109.10156	7.4
111.08089	1.8
115.05479	2.1
116.06287	0.8
117.07027	8.3
119.08588	13.6
119.09370	1.0
121.06513	1.1
121.10149	11.6
123.08085	1.9
123.11723	1.9
125.09650	1.2
128.06256	2.5
129.07018	8.4
130.07841	0.8
131.08572	12.0
131.09529	0.8
133.10136	16.3
135.08047	1.9
135.11671	6.1
137.09665	0.9
139.11246	0.8
140.68863	0.6
141.06989	5.0
142.07771	3.3
143.08569	12.7
145.10133	14.7
147.08049	1.3
147.11699	5.8
149.09637	2.8
149.13283	2.5
151.11218	1.2
153.07001	1.8
154.07803	1.8
155.08580	10.3
155.10532	0.7
156.09320	3.0
157.10143	13.9
158.10857	0.7
159.08038	1.5
159.11705	10.4
161.09633	1.3
161.13283	2.9
163.11209	0.8
163.14891	0.8
165.07051	1.8
165.09149	1.4
166.07753	1.1
167.08565	5.2
167.10690	5.3
168.09402	1.4
169.10152	15.0
170.10966	0.8
171.11693	12.2
173.09691	1.5
173.13268	7.5
175.11288	1.1
175.14883	2.1
177.16342	0.7
179.08551	3.3
180.09343	0.9
181.10158	7.7
181.11760	0.7
181.12398	0.7
182.10980	1.6
183.11716	12.5
185.13264	7.5
185.14854	0.6
187.11209	0.9
187.14836	3.6
189.12755	0.9
189.16458	0.9
191.08609	0.9
191.14418	0.5
192.09274	0.8
193.10135	4.9
194.10977	1.6
195.11726	8.8
196.12556	0.9
197.13277	10.4
199.11237	1.2
199.14798	4.6
201.16437	2.4
203.14240	1.0
203.17957	0.5
205.10201	1.0
206.10887	1.0
207.11676	4.5
209.13266	8.2
209.15076	0.8
211.11426	1.0
211.14842	6.7
211.48509	0.6
213.16455	3.8
219.11691	1.7
221.13330	4.2
221.15440	3.7
222.13986	0.8
223.11290	0.8
223.14828	4.9
225.12932	0.7
225.16444	4.7
227.18048	2.2
229.15909	1.0
232.12614	0.8
233.13258	2.6
233.15518	2.5
235.14807	3.6
237.16414	2.9
239.14349	0.9
239.18036	3.2
241.15953	0.9
241.19627	1.0
245.13301	1.2
247.14857	2.1
249.16585	2.6
251.17944	3.4
253.15933	0.8
253.19841	1.1
255.17415	1.1
259.14874	1.1
261.16437	1.2
263.17987	2.1
265.19611	1.9
267.21417	0.7
273.18713	0.8
275.17783	0.7
277.19513	0.6
281.18915	0.7
283.20752	0.8
285.18857	0.8
289.19751	1.0
293.22449	0.6
295.20514	0.8
309.22220	1.5
311.20233	0.9
313.21725	0.9
319.20508	0.7
321.22110	0.8
323.23929	1.1
333.22076	0.6
335.23727	1.3
337.25479	1.6
351.23093	0.8
353.24948	0.7
363.27002	0.8
365.28568	1.0
373.25220	0.8
377.28580	1.3
391.30057	1.5
401.28711	0.9
403.30026	0.6
405.27625	1.1
407.29507	1.7
419.29764	1.2
421.31265	0.7
445.29681	0.7
471.36096	3.2
489.37363	12.5
507.38449	4.3
511.34238	1.0
545.40283	1.2
563.40796	13.4
581.41956	100.0
582.42352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59629	0.5
52.92362	0.5
53.03945	1.6
55.01863	1.8
55.05515	14.0
55.59026	0.7
57.03430	2.9
57.07067	2.3
58.84100	0.6
59.04999	1.3
65.03936	2.2
67.05506	22.6
69.03436	2.6
69.07072	12.4
71.04984	1.8
71.08643	1.3
71.52582	0.7
74.58635	0.5
75.96291	0.5
77.03925	0.9
78.46222	0.5
79.05151	0.5
79.05493	19.8
81.07060	26.1
83.04978	3.0
83.08629	7.7
85.06548	2.0
91.05483	21.6
93.07048	23.4
95.04974	4.6
95.08612	20.5
97.06537	3.9
97.10190	2.4
99.08109	1.5
99.46678	0.6
103.05474	1.8
105.04537	1.1
105.07038	27.2
107.04956	1.2
107.08597	19.5
109.06545	3.4
109.10155	11.8
109.10850	1.1
111.08085	2.1
111.11707	0.7
113.09664	1.4
115.05470	2.4
116.06277	0.7
117.07021	9.8
119.08587	25.6
121.06534	1.7
121.10146	20.9
123.08085	4.0
123.11713	3.4
125.06012	0.9
125.09653	2.6
128.06241	4.4
129.06998	11.0
130.07823	2.5
131.08568	17.6
133.06523	1.7
133.10135	29.9
135.08049	4.2
135.11688	8.0
137.09644	2.3
139.11191	1.8
141.06998	5.3
142.07767	5.1
143.08572	17.2
144.09380	1.7
145.10130	20.1
147.08061	4.3
147.11703	7.9
149.09615	6.9
149.13286	2.5
151.07576	2.7
151.11295	0.9
153.07028	1.9
153.12738	0.8
153.35037	0.6
154.07826	1.6
155.08574	11.9
155.09715	0.9
156.09373	4.8
157.10141	19.3
158.10936	2.4
159.08058	3.4
159.11693	11.3
161.09665	2.5
161.13248	4.5
163.11240	2.2
163.14841	1.1
165.07042	2.9
165.09125	3.3
166.07832	1.6
167.08583	5.9
167.10680	14.8
168.09378	1.8
169.10136	16.4
170.10945	2.1
171.08110	1.0
171.11697	15.1
173.09680	2.1
173.13255	11.9
175.11258	1.7
175.14836	3.5
177.12698	0.8
178.07777	1.3
179.08606	4.2
180.09351	1.8
181.10178	10.2
181.12210	1.9
182.10881	3.8
183.11703	16.0
183.13251	1.1
184.12514	1.0
185.09674	1.5
185.13261	9.4
187.11250	1.8
187.14842	4.7
189.12775	1.9
189.16431	1.1
191.08598	0.9
191.14342	1.6
192.09406	1.5
193.10181	5.5
194.10905	3.2
195.11702	11.5
195.13385	0.9
196.12497	2.7
197.13271	12.8
199.11234	1.5
199.14815	7.7
201.12712	1.1
201.16394	2.3
203.14362	2.1
205.10199	2.2
205.15991	0.8
206.11023	2.1
207.11766	6.5
207.13840	2.2
208.12538	2.6
209.09676	0.7
209.13249	10.6
209.15138	1.0
210.14157	1.1
211.11298	1.1
211.14847	8.6
213.12857	1.3
213.16362	4.3
215.14362	2.4
215.18007	1.4
217.10239	0.9
217.15895	0.7
218.10939	1.0
219.11731	2.1
220.12494	1.8
221.13319	6.2
221.15451	7.2
222.14157	1.2
223.11363	1.0
223.14819	7.5
225.12807	1.4
225.16422	6.2
226.10660	0.8
227.14432	0.8
227.18015	2.2
229.15862	1.0
232.12531	1.2
233.13303	2.8
233.15466	5.3
234.14067	1.5
235.14806	4.6
236.15642	0.9
237.12939	0.8
237.16403	5.1
239.14369	1.2
239.18025	4.1
241.15865	1.5
241.19719	1.4
245.13348	1.1
245.18884	0.7
246.14088	1.5
247.14883	3.1
247.17122	1.3
249.16435	3.2
251.17998	3.0
253.19565	2.7
255.17671	1.0
257.19055	1.5
259.14804	1.4
259.20645	0.9
260.15741	1.0
261.16516	2.6
263.18051	2.5
265.19629	2.5
267.17609	0.9
267.21127	1.6
269.19073	1.6
273.16238	1.4
273.18875	1.0
275.18066	1.8
277.19623	1.8
279.17517	1.1
279.21204	1.5
281.19012	0.8
283.20578	1.1
285.16287	0.9
285.19037	0.8
287.20435	0.7
289.19690	2.0
291.21094	0.7
293.19037	1.4
295.20706	1.7
297.22144	0.7
299.20370	1.4
307.20663	1.5
311.20251	1.3
312.20657	1.2
313.21857	0.7
321.22095	0.8
323.23654	1.1
325.21756	0.8
327.23334	0.8
333.22220	0.9
335.23999	0.8
337.25333	2.0
349.25494	1.1
351.23218	1.2
351.27228	0.8
355.24402	1.1
359.23788	1.8
361.25156	1.7
363.27020	1.3
365.24817	1.1
365.28778	0.9
373.25369	1.6
375.27112	0.8
377.24420	0.8
377.28812	1.0
379.26257	1.0
391.30176	1.3
393.24005	1.0
407.29541	1.8
409.31146	0.8
419.29410	1.4
421.31473	0.8
423.64468	0.7
433.31430	0.9
437.31290	0.6
471.36380	2.7
483.34683	0.7
489.37402	11.3
507.38638	3.8
511.34521	1.3
535.38580	0.9
545.39288	1.7
553.40717	0.8
563.40503	14.0
581.41742	100.0
582.41620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.05519	19.1
57.03434	11.2
67.05507	50.2
68.05846	2.8
68.53786	2.6
69.03428	4.2
69.07069	11.3
69.67747	13.9
79.05491	36.8
81.03429	37.6
81.07058	44.0
83.04977	9.9
83.08633	22.6
83.32327	2.5
85.02898	12.5
91.05484	30.5
93.07053	37.8
95.04993	19.6
95.08615	28.4
97.06506	4.6
97.10158	6.5
105.07043	22.8
107.04954	5.1
107.08592	17.5
109.10158	14.8
111.08089	7.7
113.06026	4.2
117.06989	3.2
119.08631	17.9
121.10132	18.3
123.08085	3.3
123.11734	5.8
129.07030	7.7
131.08575	14.0
133.10136	11.1
135.11682	8.3
147.08087	3.3
147.11684	10.7
149.09654	3.7
149.13231	4.3
157.10130	7.7
159.11736	2.9
167.69225	3.0
175.11194	6.7
193.12282	25.2
211.13310	45.0
217.40178	2.8
260.39868	2.9
261.22357	4.6
267.15942	9.7
285.16998	36.3
335.25821	77.2
336.26022	4.2
527.37408	6.2
545.38318	100.0
580.38977	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01875	3.3
55.05515	21.0
57.03203	0.7
57.03444	7.6
57.07075	3.3
65.03935	1.4
67.05508	46.1
68.05833	1.8
69.07072	21.4
70.34879	0.7
71.05001	3.3
71.08638	1.8
75.29767	0.6
79.05497	24.9
81.03444	3.6
81.07060	52.0
82.07379	2.0
83.05003	3.9
83.08621	15.7
85.06532	1.9
91.05484	16.3
92.05798	0.8
93.07049	36.5
94.07365	1.2
95.04973	5.7
95.08611	48.7
96.08958	1.5
97.02886	2.4
97.06520	4.3
97.10162	4.9
98.20800	1.7
99.04440	2.1
99.08102	1.1
100.39615	0.6
102.85767	0.7
105.06400	1.1
105.07037	11.5
106.07350	1.4
107.04963	5.7
107.08598	24.0
108.08929	1.1
109.06510	2.0
109.10158	13.7
110.10558	0.7
111.04440	1.0
111.08083	2.1
111.11704	0.7
113.09698	0.9
117.07035	7.1
119.08591	12.6
121.06536	3.2
121.10147	12.5
121.57979	0.6
122.10497	0.8
123.08077	0.8
123.11688	4.3
125.05991	1.5
125.09641	1.5
129.06958	1.0
130.07837	1.0
131.08560	2.7
132.08881	0.9
133.10152	6.8
135.08098	1.5
135.11703	30.5
137.09592	0.8
137.13235	1.6
139.07498	0.8
143.08565	1.8
145.10138	18.0
147.11702	2.8
148.12030	0.7
149.09578	1.2
149.13228	1.9
153.12718	1.2
157.10085	1.3
159.11722	1.2
161.13269	2.6
163.11185	34.7
163.14876	1.0
175.14801	1.2
181.12303	4.7
212.40952	0.7
227.12785	47.7
228.13220	0.9
245.15646	0.7
245.22652	1.7
263.23608	2.3
267.15909	1.3
268.16208	1.8
283.15405	40.5
337.27380	100.0
338.27765	1.6
373.95193	0.7
377.25403	0.7
436.27927	1.0
438.34601	1.6
456.35666	1.1
474.36716	1.7
529.38257	0.9
530.39252	9.0
545.38409	63.1
546.38568	1.1
548.40277	6.0
562.41559	1.3
580.38446	4.1
581.40814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1505
Annotation	NSC641260
Peak:m/z	Relative Intensity
55.01863	0.3
57.03442	1.8
59.04990	0.6
61.02943	1.3
64.66174	0.3
67.98817	0.2
68.99772	0.4
69.03435	6.4
69.61592	1.7
70.06580	1.0
72.08159	0.3
73.02917	0.6
75.04471	0.3
79.05486	0.4
81.03412	0.5
82.56385	0.3
84.04484	0.3
84.08121	0.4
85.02910	6.3
86.09706	0.4
87.04479	4.3
88.45186	0.3
91.03963	1.1
97.02899	5.3
98.20807	0.4
99.04464	0.3
102.33358	0.2
105.07059	0.3
107.04980	0.6
109.02905	0.3
110.07146	0.3
111.00834	0.8
115.03934	4.9
120.08088	0.6
121.02872	2.2
127.03896	0.6
133.02841	0.5
133.04967	4.7
135.04561	0.3
137.02396	0.6
145.04956	0.5
147.04433	0.6
153.01831	3.6
165.01869	1.4
167.06999	0.8
168.07388	0.3
183.02867	0.5
189.05420	0.3
193.12146	0.3
201.05525	0.3
204.90149	0.3
213.05392	1.3
231.06528	0.8
241.05000	0.8
258.05225	0.8
287.05508	100.0
288.05814	0.4
299.05511	0.7
325.06940	0.4
329.06549	0.5
353.06497	0.8
383.07806	0.4
431.09436	0.4
449.10770	0.5
491.29166	1.4
581.21021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.01865	9.2
55.05510	23.6
57.03449	25.6
57.07081	3.5
61.02926	15.7
67.05509	73.0
68.72056	2.6
69.03439	20.9
69.07075	87.3
70.06613	15.9
70.07397	6.7
71.04999	36.0
71.52707	3.9
72.08144	2.7
73.02934	15.6
73.06547	5.6
79.05503	65.3
81.03426	37.4
81.07066	86.5
82.07424	3.6
83.04981	14.2
83.08622	15.1
85.02913	35.8
85.06532	10.5
86.03242	3.1
86.09698	10.3
91.03970	10.0
91.05485	54.3
93.07053	63.0
95.04967	22.7
95.08611	37.1
96.08948	3.9
97.02895	27.7
97.06535	100.0
97.10171	8.2
99.04454	6.3
99.08089	10.9
101.02413	2.8
103.03933	3.8
105.06394	4.5
105.07037	48.5
106.07374	3.1
106.67825	2.4
107.04984	19.0
107.08593	39.8
109.02867	6.5
109.06512	29.0
109.10160	26.2
111.04406	4.1
111.08079	9.1
113.06012	3.0
115.07577	58.3
117.07004	20.0
119.08594	25.2
120.08138	3.5
120.08943	5.5
121.06498	11.1
121.10154	27.7
123.08065	9.2
123.11716	6.3
125.09622	13.2
127.03935	10.0
127.07566	7.7
129.06990	10.7
131.07086	4.0
131.08578	31.2
133.06502	8.5
133.10127	28.3
135.08064	14.9
135.11707	18.7
137.09596	4.9
139.07576	3.7
143.08574	11.0
145.04980	6.4
145.06432	2.6
145.10133	20.8
146.10535	2.9
147.08031	8.4
147.11681	18.8
148.12054	4.8
149.09622	9.0
149.13286	14.4
151.11189	7.3
157.10117	11.0
159.08122	3.4
159.11717	25.3
160.12041	3.9
161.09612	9.6
161.13264	62.6
162.13599	26.9
163.11166	9.6
167.10693	4.7
169.10191	5.0
171.11714	7.6
173.04428	5.6
173.09637	2.9
173.13287	6.9
175.11163	6.0
175.14793	3.4
177.05598	2.6
177.09079	3.6
177.12779	11.5
179.14322	3.3
181.12299	5.1
183.11687	4.5
185.13295	3.8
187.11122	3.6
187.14769	3.1
189.11249	4.6
189.12732	4.9
195.13803	6.6
196.51236	2.7
199.14821	7.7
214.16664	3.2
215.14323	2.7
215.18050	3.7
216.18402	4.2
217.15886	8.8
227.12701	3.1
227.17963	7.1
233.15453	19.4
237.16508	4.1
245.18988	4.7
251.16382	3.2
255.15994	10.3
255.21001	17.4
256.21448	15.3
263.20007	3.8
269.17490	59.9
273.18515	37.3
273.22131	46.7
274.22479	57.3
291.19498	30.0
297.16986	8.6
307.19131	5.3
309.20590	4.0
325.20084	5.1
347.22253	22.2
365.23209	55.3
383.24268	41.1
386.04019	2.6
400.32986	2.8
417.33737	7.9
418.34006	40.5
580.39844	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	580.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72446	1.7
55.01865	6.4
55.05518	16.3
57.03441	10.3
61.02915	3.7
61.65919	1.7
67.05507	27.2
69.03423	4.6
69.07072	13.5
70.06602	2.3
71.05001	2.9
71.53008	3.3
72.08155	1.7
73.02941	2.0
74.79208	1.6
79.05497	30.9
81.03420	50.9
81.07072	27.8
82.07373	2.6
83.04980	5.7
83.08629	15.8
85.02910	9.5
85.06542	2.9
91.03954	2.4
91.05475	21.9
93.07043	20.7
94.63709	1.6
95.04972	24.0
95.08611	11.6
97.02901	6.8
97.06532	6.9
97.10156	14.0
99.08076	2.3
101.06130	1.7
105.07052	20.5
106.07401	2.0
107.04948	18.3
107.08615	15.8
108.08932	2.0
109.06532	15.9
109.10149	14.6
111.04456	2.8
111.08067	7.4
112.68164	1.6
113.05981	2.2
115.05449	2.8
115.07584	6.4
117.07018	8.1
119.08575	17.0
121.06513	14.4
121.10135	11.4
123.08104	4.5
123.11701	4.0
125.09653	14.2
126.09963	1.9
127.03913	1.9
129.07037	9.2
130.73325	2.0
131.08598	13.3
133.06476	4.0
133.10136	7.4
135.08075	5.3
135.11674	5.5
137.05966	3.2
137.09608	2.2
139.11125	2.1
141.06998	2.9
143.08565	2.7
145.06496	5.7
145.10139	7.2
147.08032	4.5
147.11722	10.7
149.09628	7.8
151.50330	1.7
153.09100	2.7
155.08583	2.7
157.10147	9.0
159.11703	8.2
160.00854	1.7
161.13293	14.9
162.13622	9.8
163.11214	5.6
165.12891	2.1
169.10095	2.3
171.07983	3.9
173.11852	2.4
173.13255	4.1
175.11237	7.0
177.12733	1.9
189.11195	6.4
189.12704	2.4
191.14342	2.6
193.12225	14.5
197.13371	3.2
205.12221	2.1
213.12770	2.3
215.14217	3.1
215.18063	2.8
216.18298	2.1
219.13815	8.3
229.14355	3.7
233.15384	2.2
237.12701	2.5
255.21057	6.5
256.21347	5.6
259.15417	5.8
267.15927	34.3
273.14865	7.2
273.22144	11.2
274.22479	21.1
275.16345	1.9
293.17538	5.5
349.21692	3.6
367.22736	14.9
383.24521	3.7
385.23770	25.5
403.24722	11.1
417.33569	2.7
418.33844	14.3
441.26160	6.9
459.27432	100.0
462.92627	1.8
477.28497	77.0
491.29913	8.5
495.29343	5.4
509.31125	4.8
580.31171	3.0
580.39087	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	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.6
55.01871	9.4
55.05516	22.1
57.03442	21.5
57.07089	3.3
61.02940	13.8
65.03941	3.7
65.28933	2.4
67.05141	2.9
67.05504	62.3
69.03427	22.5
69.07072	78.4
70.06599	15.2
70.07394	4.7
71.01384	4.0
71.04996	28.5
71.52379	4.5
73.02916	10.0
73.06551	5.9
78.73626	2.4
79.05026	2.5
79.05493	51.4
81.03420	36.8
81.07059	77.5
82.07398	4.2
83.04985	15.2
83.08622	11.8
84.04500	2.8
84.08182	2.5
85.02905	40.7
85.06566	9.0
86.03255	3.3
86.09705	9.0
86.48358	2.3
87.04482	3.4
91.03954	10.5
91.05484	43.0
93.07046	62.6
95.04977	14.3
95.08614	40.5
97.02900	26.8
97.06530	100.0
97.10180	7.4
98.03252	2.6
99.04459	8.2
99.08108	9.1
103.05473	4.2
103.68076	2.4
105.07035	43.9
106.07357	6.2
106.18886	2.5
107.04948	13.4
107.08594	38.0
107.89231	2.3
109.02882	7.6
109.06527	32.6
109.10155	20.9
110.10558	3.5
111.04511	2.8
111.08088	8.0
113.06036	3.6
115.07570	55.2
116.07893	2.7
117.07020	21.5
119.04896	4.0
119.08582	32.8
120.08114	3.2
120.08926	3.0
121.06485	13.7
121.10125	20.4
122.10523	3.8
123.08081	8.1
123.11700	7.9
125.09615	11.9
127.03931	11.8
127.11201	5.1
129.05505	3.0
129.06998	10.8
131.07048	3.8
131.08565	24.7
133.06468	5.7
133.10124	30.3
135.08067	17.2
135.11707	16.9
137.09624	3.5
141.09180	2.8
143.08566	10.1
145.04990	7.2
145.10139	22.3
146.10451	3.3
147.08034	7.0
147.11703	18.2
148.12021	6.9
149.09621	5.8
149.13252	21.0
151.07591	3.4
151.11230	5.2
155.41682	2.4
157.10172	9.7
159.11693	29.7
160.12038	4.1
161.09676	6.8
161.13269	55.9
162.13594	29.0
163.11169	7.5
167.07085	3.0
167.10670	6.0
169.12245	2.8
171.11662	6.7
173.04427	4.7
173.09633	4.5
173.13229	4.9
174.13655	4.2
175.11234	5.8
175.14851	2.5
177.12773	9.6
183.11577	5.0
185.09593	4.3
185.13344	5.8
187.14850	2.5
189.11227	3.1
191.10622	3.2
195.13829	6.2
199.14893	6.9
201.12589	3.4
211.14844	3.0
213.16396	2.6
215.17924	4.3
216.18295	3.6
217.15915	9.6
221.15320	3.2
221.19310	2.5
227.17993	4.8
233.15366	15.0
251.16382	3.1
255.15863	7.3
255.21101	17.5
256.21460	22.0
267.15909	3.4
269.17435	51.6
271.15646	2.8
272.20853	3.6
273.18515	34.7
273.22141	53.2
274.22464	81.5
291.19604	20.2
297.16983	11.8
307.19165	5.2
325.20065	4.4
347.22241	14.5
365.23212	47.2
383.24268	30.5
416.78378	2.7
417.33636	11.8
418.33948	54.4
527.28693	3.2
545.30408	3.2
580.39716	33.9
593.32556	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	580.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03943	0.2
55.05508	0.3
57.03426	0.3
61.02915	0.2
65.03950	0.2
67.05490	0.3
69.03434	1.4
70.06583	1.2
71.51543	0.3
72.08162	0.4
78.03455	2.0
80.05012	0.3
80.07380	0.2
81.03417	0.4
82.96944	0.2
83.04990	0.4
84.04512	0.3
84.08149	0.5
85.02911	0.7
86.09718	0.9
87.04481	0.2
88.83854	0.2
89.03921	0.4
91.05519	0.3
96.04500	0.4
97.02895	100.0
98.03193	0.2
106.02921	6.8
109.02883	0.2
111.04431	0.3
117.03416	0.3
120.08112	0.7
123.04479	0.2
124.03958	9.0
127.03889	0.3
129.10242	0.4
131.04897	0.2
135.04433	0.5
136.07581	0.3
139.03931	0.2
145.02843	0.5
163.03923	2.4
167.07043	1.2
168.07404	0.5
174.06380	0.2
181.04974	0.6
196.06012	0.3
201.05435	0.2
220.06058	24.0
221.06281	0.2
231.36580	0.2
238.07132	4.8
254.06537	1.1
256.08081	0.5
263.10574	0.2
280.08069	0.3
349.10287	0.2
387.90375	0.2
388.14819	0.2
400.12436	10.5
418.11081	0.3
418.16177	0.2
434.14142	0.2
513.03589	0.2
580.08112	0.2
580.16815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.2
51.02382	0.2
55.05518	0.2
57.03442	0.3
61.02933	0.2
67.05514	0.2
69.03432	1.3
70.06593	1.2
71.15050	0.2
72.08165	0.8
74.06093	0.3
78.03464	1.4
79.05520	0.2
80.05025	0.2
81.03400	0.4
83.05005	0.2
84.04498	0.3
84.08156	0.7
85.02901	0.7
86.09715	0.6
88.58321	0.1
89.03896	0.2
91.05486	0.4
93.07097	0.2
96.04514	0.3
97.02898	100.0
98.03246	0.2
100.89863	0.2
106.02925	7.1
107.04984	0.3
111.04506	0.3
113.62765	0.1
115.53874	0.2
116.07068	0.2
117.03364	0.5
119.04974	0.4
120.08111	1.1
121.06483	0.2
122.02412	0.4
124.03963	8.4
127.03952	0.3
129.10229	0.2
135.04434	0.7
137.05962	0.3
139.03917	0.4
140.03375	0.3
145.02856	0.7
147.04422	1.5
149.02365	1.1
163.03928	3.6
167.03423	0.3
173.01730	0.2
177.05443	0.3
181.04900	0.3
196.06050	0.4
199.14381	0.2
220.06061	23.2
236.05527	1.4
238.07133	4.5
238.09637	0.2
254.06602	1.0
256.08160	0.5
334.08905	0.2
374.12537	0.2
400.12436	8.3
539.43463	0.2
562.15192	0.5
580.33984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05519	7.9
56.05025	2.2
57.03427	2.0
57.07072	1.4
61.05037	1.0
67.05511	5.5
69.07068	9.6
70.06591	3.5
71.04995	1.6
71.08636	7.5
71.41525	1.4
72.08142	1.6
77.03919	0.9
79.05495	4.1
81.03423	2.0
81.07063	12.9
82.06586	2.9
83.05004	1.2
83.07359	3.1
83.08597	4.2
85.02902	2.0
85.10205	1.0
86.06075	8.1
87.08213	1.0
91.05474	3.3
93.07047	5.1
95.04977	1.2
95.08611	4.3
96.08116	5.9
97.02885	1.6
97.06541	3.3
98.06074	1.2
98.09698	100.0
98.98531	1.1
99.08100	6.1
100.54433	0.9
105.07028	1.4
106.33723	0.9
107.08598	3.2
109.02910	1.0
109.10145	2.4
109.34000	0.9
111.08078	1.6
115.07604	1.1
116.10732	47.8
119.08562	1.6
121.10166	2.9
122.09681	2.0
124.07600	2.9
125.00011	3.1
126.09168	1.0
131.08591	1.6
133.10141	1.3
135.11768	1.0
142.12265	4.2
143.10672	2.0
147.11644	1.2
149.13258	4.0
152.10800	1.0
159.11755	1.1
161.13300	3.3
162.13551	1.1
166.15929	1.4
167.14343	2.2
173.11719	6.8
178.15967	3.5
187.07753	0.9
196.07364	19.0
196.16975	33.3
207.38763	0.9
214.18024	19.8
231.16032	3.8
238.18050	2.6
252.09904	7.7
256.21442	1.5
270.10999	19.3
273.22202	3.3
274.22272	2.8
287.18527	7.7
292.22757	4.2
294.14758	6.7
302.74475	1.0
310.23755	14.1
328.24838	6.1
350.17374	7.8
352.25507	0.9
368.18341	82.9
390.20947	0.9
390.30133	2.5
408.21552	3.5
408.31088	28.4
418.34451	1.9
446.22974	1.2
464.24100	8.8
482.25162	32.9
482.32062	2.1
562.30725	1.6
580.31689	3.7
580.39801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.389
Annotation	Asparagoside A
Peak:m/z	Relative Intensity
53.03943	2.6
55.01870	4.4
55.05518	12.1
57.03425	9.5
60.43307	2.2
61.02929	40.7
65.37703	2.0
67.05500	23.3
69.03413	9.7
69.07071	50.0
70.01040	5.9
71.04986	2.6
73.02911	15.4
73.06548	2.8
79.05485	18.6
81.03414	11.1
81.07062	32.0
83.04979	2.2
83.08606	7.7
85.02904	58.0
91.03954	38.0
91.05476	19.7
92.37476	2.3
93.07038	25.8
95.04962	6.7
95.08600	26.1
97.02887	24.8
97.06519	11.9
97.10132	3.1
99.04456	3.2
105.07036	34.1
107.08579	21.9
109.02889	2.7
109.06496	10.2
109.10175	14.4
115.03903	2.7
115.07578	13.1
117.07028	8.7
119.08572	25.2
121.06496	3.2
121.10153	17.7
123.11722	3.6
125.09602	13.7
127.03926	18.1
127.11181	2.5
129.06987	6.3
131.08600	13.9
133.10120	13.0
135.11691	15.3
139.11197	2.7
143.08528	5.0
145.04958	21.2
145.10118	23.1
147.11694	31.9
149.09558	3.3
149.13245	4.8
155.08534	3.3
157.10104	7.8
159.11699	23.9
161.13260	81.9
163.06017	12.2
163.11166	6.7
163.14790	4.2
167.10684	8.9
171.11705	4.5
173.13281	14.5
175.14871	4.5
179.14386	3.1
183.11749	4.2
185.13225	5.5
187.14795	2.5
199.14824	6.5
213.16331	4.6
215.17879	4.5
217.19409	4.1
228.44846	2.8
255.21088	100.0
267.15833	6.8
273.22141	90.2
277.21655	4.0
285.25723	17.8
292.04803	2.4
381.31476	8.4
399.32571	34.5
417.33655	40.2
435.27448	48.8
543.36664	5.5
561.37933	11.8
579.39380	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Asparagoside A
Peak:m/z	Relative Intensity
53.03946	1.9
55.01877	1.5
55.05516	6.1
57.03433	3.2
57.07075	3.3
61.02932	15.8
65.03950	1.0
67.05511	22.1
69.03434	16.3
69.07076	22.8
69.99531	2.8
71.05002	3.9
73.02922	5.2
73.06561	2.1
79.05058	1.4
79.05493	11.6
79.05920	1.0
81.03413	3.4
81.07061	42.8
83.05009	1.3
83.08624	5.4
85.02908	21.6
85.06547	12.0
87.04474	1.2
91.03969	11.4
91.05489	12.5
93.07050	13.7
95.04978	5.7
95.08611	17.1
97.02907	12.4
97.06525	4.1
97.10184	2.6
99.04489	1.2
99.08099	3.7
105.07039	25.4
107.04979	1.0
107.08602	19.9
107.09312	1.5
108.09007	0.7
109.02861	1.4
109.06519	8.2
109.10166	37.8
111.11726	1.6
115.03956	1.0
115.07579	9.0
117.07047	3.6
119.08591	20.0
121.06528	0.9
121.10155	13.1
122.10558	0.7
122.91933	0.7
123.08088	1.9
123.11711	17.3
125.09637	17.9
127.03943	5.2
127.11202	16.1
127.12152	1.0
129.07040	1.3
131.08607	8.0
133.10139	15.2
135.11696	9.0
143.08597	2.2
145.04985	3.9
145.10117	12.4
147.11705	17.2
147.12820	1.3
149.13231	4.2
151.11168	9.1
155.08656	0.8
157.10136	2.6
159.11702	14.7
161.13266	46.5
163.11195	2.5
165.12851	1.1
167.10695	3.6
167.14386	1.1
169.12233	10.6
169.13499	1.0
171.11697	2.6
173.13274	9.6
175.14886	2.2
185.13290	1.5
185.66397	0.7
186.14146	0.9
187.14847	4.4
189.16400	1.3
193.15875	1.0
197.13336	0.9
199.14825	3.4
201.16408	1.6
213.16428	5.2
215.17975	51.0
229.19531	1.0
233.19038	7.9
237.16722	0.9
239.18028	2.3
253.19606	2.5
255.21089	21.5
271.20676	1.3
273.22144	57.7
275.20062	1.6
283.24237	1.6
285.25858	1.4
314.17279	0.7
323.27350	0.9
363.30670	2.0
381.31516	7.2
398.31384	0.9
399.32538	10.2
411.32773	1.0
415.31821	0.8
417.33664	37.8
435.27475	2.7
451.27023	2.3
503.34280	1.0
543.36646	1.7
549.37885	0.9
561.37958	11.0
579.38971	100.0
580.39282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3893
Annotation	Asparagoside A
Peak:m/z	Relative Intensity
51.88018	1.1
55.00458	0.9
55.05519	3.7
57.03429	3.2
61.02934	23.2
67.05508	5.8
69.03438	4.3
69.07080	37.3
70.81026	2.5
73.02931	9.9
73.06554	4.4
79.05508	6.1
81.03423	1.8
81.07070	11.7
81.31470	1.1
83.08636	1.2
85.02438	2.1
85.02917	22.6
91.03965	21.7
91.05485	7.0
93.07067	8.1
93.11107	1.2
95.08618	10.8
97.02901	14.8
97.06528	5.7
99.04484	1.9
105.07042	21.1
107.08617	10.8
109.06528	2.4
109.10178	5.9
115.03942	1.5
115.07585	7.7
115.35704	1.4
117.07029	4.2
119.08601	10.8
121.10152	8.2
121.13480	1.0
123.11707	1.2
125.09633	5.2
127.03945	4.9
127.11221	1.6
129.07047	1.6
131.08588	7.7
133.10149	10.8
135.11720	5.9
143.08582	1.6
145.04951	5.7
145.10139	14.8
147.11700	28.2
149.13289	3.3
156.52477	1.1
159.11705	19.5
161.13275	72.3
163.05977	1.3
163.11258	1.6
163.14842	1.1
167.10695	2.0
171.11655	1.8
173.13277	11.8
175.14893	2.8
176.51237	1.0
184.46030	1.0
185.13301	3.4
187.14845	2.5
189.16423	1.5
199.14894	3.4
213.16399	2.3
215.17873	1.0
227.18161	1.5
255.21107	100.0
273.22189	34.7
285.25824	5.4
292.16568	1.0
381.31738	1.4
399.32626	2.6
417.33710	12.3
435.27487	82.5
579.29816	2.2
579.39026	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	579.3892
Annotation	Asparagoside A
Peak:m/z	Relative Intensity
50.04741	0.4
51.55102	0.6
53.03945	1.2
53.82110	0.4
55.01870	0.9
55.05510	1.7
57.03429	1.4
61.02933	2.8
67.05501	3.1
69.03429	6.1
69.07072	23.9
70.62137	1.0
71.04982	0.9
73.02930	0.5
73.06573	3.2
79.05490	4.3
81.03416	3.2
81.07048	6.0
85.02910	15.6
85.03436	0.7
91.03944	1.0
91.05470	3.5
93.07050	6.1
95.04966	1.1
95.08605	4.5
97.02895	4.3
97.06534	5.1
97.10181	0.5
99.04445	0.9
105.07036	13.0
107.04963	0.7
107.08607	8.0
109.02885	1.4
109.06525	6.4
109.10138	3.1
115.03872	0.4
115.07575	14.0
115.52439	0.4
117.07037	1.6
119.08575	7.4
121.10133	4.9
123.08056	0.7
123.11710	1.1
125.09626	0.9
127.03913	2.9
131.08589	3.6
133.10136	7.2
135.11722	4.3
143.08571	0.8
145.04927	2.6
145.10126	6.5
147.11697	13.5
149.13261	2.6
151.11147	0.9
159.11703	10.0
159.66328	0.5
161.13263	70.9
162.13477	0.4
163.11197	2.7
167.10678	6.5
171.11699	1.1
173.13274	5.6
175.14793	1.3
185.13292	1.2
187.14851	1.3
189.16342	0.6
199.14844	2.6
213.16422	1.0
215.17850	0.8
227.17984	1.3
255.21097	30.6
256.21417	0.4
269.13773	0.7
273.22137	100.0
274.22238	0.5
285.25870	2.5
285.28577	0.4
314.03177	0.6
381.31839	0.6
399.32587	1.2
417.33655	46.4
418.34048	0.5
435.27393	2.1
469.60251	0.5
561.37341	0.7
579.38910	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05514	6.8
57.03440	2.7
61.02929	23.7
67.05513	10.1
69.03442	6.2
69.07072	33.6
70.25506	2.5
70.25861	3.3
71.04994	1.2
72.15936	1.2
73.02923	8.9
73.06558	5.5
73.63645	1.2
79.05056	1.1
79.05504	6.9
81.03436	2.9
81.07068	18.2
83.08624	2.5
84.64799	1.0
85.02907	29.0
91.03969	16.6
91.05473	9.0
93.07042	10.6
95.04974	1.8
95.08614	11.4
97.02886	12.6
97.06539	5.9
99.04462	1.5
101.02406	1.8
105.07039	23.9
105.07703	2.1
107.08580	14.6
109.02876	1.4
109.06524	3.7
109.10172	6.7
115.03970	2.0
115.07571	10.8
116.11241	1.4
117.07078	4.0
119.08590	12.4
121.10179	10.1
123.11704	3.7
125.09652	7.4
127.03923	7.3
127.11243	2.4
129.07115	1.3
131.08531	7.0
133.10136	11.0
135.11713	9.0
143.08598	1.5
145.04965	7.7
145.10124	15.4
147.11693	30.8
147.12814	2.0
149.13298	4.2
159.11702	19.2
161.13266	77.3
163.06033	2.6
163.11230	2.3
163.14925	1.8
167.10728	2.9
171.11816	1.8
173.13281	11.1
175.14778	2.4
185.13365	3.6
187.14841	2.3
199.14905	3.3
203.18257	1.6
213.16431	2.6
215.17998	2.3
227.18028	2.5
255.21100	100.0
261.22070	2.0
273.22131	29.7
284.61407	1.3
285.25748	7.3
319.95349	1.3
353.27185	1.3
381.31757	2.5
399.32590	10.7
417.33719	12.1
435.27441	74.8
436.27695	1.5
579.38995	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3897
Annotation	Asparagoside A
Peak:m/z	Relative Intensity
50.39152	0.4
53.03934	1.4
55.01862	1.0
55.05504	1.3
57.03424	1.7
61.02933	3.1
67.05505	3.9
69.03088	0.6
69.03431	8.2
69.07072	15.1
69.44897	3.2
71.04975	1.5
73.02908	1.1
73.06543	2.0
79.05502	4.6
81.03430	3.9
81.07052	8.4
83.04977	0.5
83.08608	1.0
85.02910	22.2
85.06515	1.2
87.04468	1.4
91.03954	2.1
91.05475	4.7
93.07047	6.5
95.04955	1.7
95.08044	0.8
95.08613	6.9
97.02895	7.8
97.06527	3.9
99.04456	1.0
99.08092	0.6
104.04835	0.5
105.07031	16.3
107.08606	9.7
109.02878	2.5
109.06494	2.5
109.10165	5.4
115.03957	0.5
115.07582	5.5
117.07024	1.7
119.07813	0.9
119.08587	10.0
121.06508	0.8
121.10152	5.9
123.08121	0.7
123.11689	2.0
125.09634	1.4
127.03901	4.2
127.11202	0.6
131.08598	3.6
133.10135	8.0
135.11693	5.5
143.08571	1.0
145.04977	3.8
145.09081	0.6
145.10144	7.7
147.11694	15.2
149.09584	0.5
149.13283	2.6
151.11191	2.3
157.10143	1.4
159.11700	9.6
161.13260	78.1
162.13565	0.6
163.11159	3.0
163.14853	0.8
167.10695	2.3
169.12241	0.9
171.11697	1.3
173.13266	7.1
175.14838	1.6
176.83151	0.5
185.13243	2.6
186.14091	0.7
187.14842	2.0
199.14818	3.2
201.16377	0.8
213.16348	2.2
215.17982	3.0
227.18011	1.4
255.21092	35.9
256.21597	0.6
273.22128	100.0
274.22461	0.7
285.25742	1.6
303.38571	0.5
358.22049	0.5
381.31165	0.8
399.32590	2.1
417.33652	82.5
418.34302	1.4
435.27234	1.8
561.37531	0.7
579.21283	0.6
579.38922	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	579.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73174	0.9
53.03954	1.8
55.05511	4.6
57.03440	3.6
61.02933	26.1
67.05508	6.3
69.03437	4.3
69.07074	38.1
70.80923	2.4
73.02911	9.0
73.06564	5.0
79.05495	7.2
80.23289	1.1
81.03427	1.4
81.07062	14.8
83.08627	3.1
85.02910	21.5
89.15365	1.1
91.03960	19.5
91.05482	7.0
92.09373	1.4
93.07055	8.6
95.04982	2.1
95.08610	11.7
96.37813	1.2
97.02901	15.0
97.06532	6.8
99.04503	2.1
105.07039	23.3
105.07690	1.8
107.08621	13.0
109.02850	1.8
109.06557	2.3
109.10159	7.5
115.03971	1.6
115.07576	9.3
117.07034	4.6
118.29819	1.0
119.08596	12.3
121.10152	7.2
122.53485	1.1
123.11714	1.3
125.09670	6.9
127.03942	5.4
127.11211	1.9
129.06905	1.4
131.08560	7.2
133.10139	12.1
135.11684	8.3
143.08629	1.7
145.05008	5.1
145.10139	16.1
147.11699	29.2
147.12817	2.1
149.13322	3.3
157.10126	2.3
159.11697	18.1
161.13268	73.2
163.11246	1.7
167.10799	1.9
173.13280	10.8
175.14909	2.8
185.13330	4.7
187.14882	2.8
199.14874	5.0
208.26628	1.2
213.16400	1.2
217.96312	1.3
227.17822	1.3
255.21101	100.0
273.22141	32.3
278.39255	1.2
285.25745	5.9
341.84128	1.2
399.32834	5.0
417.33673	10.1
435.27463	94.1
436.27832	2.1
509.66766	1.4
564.49799	1.3
579.39038	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3892
Annotation	Asparagoside A
Peak:m/z	Relative Intensity
55.05510	4.6
57.03439	2.7
61.02931	25.9
67.05518	5.3
68.18565	1.0
69.03426	5.0
69.07069	33.1
69.34303	8.8
73.02922	9.6
73.06548	3.6
73.08466	1.0
78.07611	1.1
79.05511	6.7
81.03409	2.7
81.07056	13.0
83.08641	1.1
84.65009	1.1
85.02910	24.6
86.71066	1.3
91.03958	22.0
91.05486	9.6
91.09664	1.0
93.07040	8.9
95.04947	2.2
95.08614	10.6
97.02893	16.5
97.06508	6.3
99.04468	1.9
105.07034	22.6
107.08591	12.4
109.06523	3.6
109.10167	7.5
115.03943	1.8
115.07562	8.0
117.07051	5.0
119.08574	12.5
121.10162	7.4
123.11694	2.1
125.09612	5.7
127.03951	6.4
127.11152	1.3
131.08562	6.4
133.10144	11.3
135.11722	7.4
135.44376	1.2
143.08585	2.4
145.04988	6.2
145.10114	14.1
147.10529	1.9
147.11690	27.6
147.12830	2.0
149.13286	3.8
155.39296	1.1
157.10138	1.4
159.11702	18.3
161.13263	79.6
163.06047	3.7
163.11264	1.7
167.10757	2.3
171.11731	3.2
173.13274	12.1
175.14890	1.3
177.16287	1.2
185.13249	3.1
187.14833	2.7
199.14789	4.3
199.16557	1.3
213.16446	2.3
227.17953	1.8
255.21094	100.0
257.22867	1.1
273.22159	35.2
273.25092	1.8
276.07507	1.1
285.25784	5.9
381.31766	1.8
399.32553	5.2
417.33664	13.6
435.27444	79.4
579.29822	2.1
579.38977	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	579.3873
Annotation	FD 891
Peak:m/z	Relative Intensity
55.01863	0.3
55.05509	2.6
55.82281	0.3
57.03438	1.0
57.07064	1.0
63.22472	0.3
64.28083	0.3
67.05514	2.6
67.24889	0.3
69.07076	2.7
71.08635	0.6
79.05502	1.7
81.03449	0.5
81.07065	2.3
82.07374	0.4
83.04984	0.4
83.08629	2.3
85.10187	0.4
91.05485	0.8
93.07042	1.9
95.04956	0.6
95.08616	2.5
97.06551	0.4
97.10182	1.7
97.42188	0.3
98.21613	0.5
105.07040	0.7
106.07375	0.3
107.08609	1.2
109.10175	0.7
111.04442	0.3
111.08069	0.4
111.11735	0.6
119.08581	0.9
121.10131	1.4
129.07028	0.4
131.08572	0.4
135.11694	0.8
139.11189	0.3
140.82504	0.3
145.10179	0.7
149.09630	0.5
159.11786	0.3
163.11185	0.9
175.05411	0.3
193.12390	0.3
203.10013	0.4
227.12849	1.1
228.13054	0.7
251.12556	3.2
269.13623	8.3
283.15466	0.8
284.15778	0.4
307.15182	1.6
311.25760	1.7
313.06342	0.3
325.16312	2.6
335.25836	1.3
336.26129	2.0
405.25681	0.4
416.85486	0.3
433.08786	0.3
535.36426	0.5
544.37524	1.6
544.44513	0.3
561.37579	4.0
567.98621	0.3
579.38702	100.0
580.38940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
53.84575	0.4
55.01863	0.8
55.05492	1.6
57.03433	1.8
59.04993	0.4
59.71339	0.4
61.02929	3.0
65.03918	0.7
67.05508	3.8
68.67220	0.4
69.03430	5.8
69.07072	24.0
69.29171	0.9
69.29575	2.8
70.06605	0.6
71.04987	1.0
72.08145	0.3
73.02897	0.9
73.06561	3.4
79.05494	4.6
81.03075	0.3
81.03419	3.6
81.07058	7.5
83.08614	0.8
85.02908	15.1
85.06514	0.4
86.09696	0.4
87.04455	1.0
89.03908	0.6
91.03938	1.4
91.05482	4.5
93.07039	6.4
95.04963	1.2
95.08615	6.4
95.29821	0.4
97.02904	7.1
97.06525	6.0
97.10154	0.7
98.21528	0.9
99.04433	1.1
99.08076	0.6
103.05447	1.4
105.07033	14.6
107.04932	1.4
107.08600	7.1
107.90214	0.4
109.02850	1.5
109.06520	6.9
109.10148	3.2
115.05414	0.8
115.07573	15.5
117.03371	1.1
117.06998	1.7
119.04925	0.9
119.08573	8.8
121.06493	0.7
121.10159	6.0
123.04421	0.7
123.08071	0.4
123.11690	1.3
125.06034	0.5
125.09604	1.3
127.03919	2.9
127.11203	0.4
129.07028	0.5
131.04912	1.4
131.08566	3.6
133.06464	1.0
133.10129	6.6
135.11697	5.0
143.08548	0.9
145.02863	4.0
145.04935	1.8
145.06494	1.1
145.10124	7.8
147.04398	1.2
147.11688	14.2
147.67000	0.4
149.06035	0.6
149.13228	2.2
151.03964	0.4
151.07518	0.7
151.11195	1.2
153.05504	0.9
155.72845	0.4
157.10117	0.6
159.11697	10.3
161.05988	1.5
161.13260	73.9
162.06744	0.5
162.13586	0.7
163.07530	0.6
163.11166	3.2
163.14836	0.6
167.07057	4.2
167.10692	7.0
171.11693	1.1
173.06020	0.5
173.13278	6.1
175.14804	1.1
177.05481	9.8
177.09056	0.7
181.04948	3.2
185.13306	2.2
187.14851	1.4
189.16359	1.0
191.07039	3.3
193.08643	0.4
199.14877	3.1
205.08760	0.5
209.08182	0.4
213.16368	2.0
213.87119	0.4
215.18007	1.0
225.13383	0.4
226.16940	0.4
227.17897	1.0
233.07967	0.7
255.21092	36.7
273.22131	100.0
274.22498	1.0
285.07706	1.0
285.25754	2.0
381.31558	0.4
385.12979	0.6
399.32660	2.0
417.33649	47.6
435.27423	3.3
507.38983	0.5
543.36798	1.2
547.19611	5.4
561.38068	0.7
579.38940	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	579.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63376	1.2
53.03938	3.5
55.01870	3.2
55.05518	12.9
57.03432	5.1
57.07063	4.5
61.02917	2.6
65.02567	1.1
65.03934	2.8
67.05510	56.9
69.03418	5.5
69.07072	17.9
69.45026	1.1
70.13177	1.9
70.13506	1.8
71.04984	3.9
71.08643	1.7
73.02906	5.5
79.05499	40.2
81.03422	8.6
81.07060	68.1
83.04984	1.7
83.08628	10.5
85.02914	9.5
85.06523	3.5
91.03971	2.8
91.05479	20.1
93.07047	46.4
95.04951	5.2
95.07980	2.4
95.08607	50.8
97.02886	3.8
97.06518	4.5
97.10167	5.3
98.98482	8.7
99.04420	4.8
99.08094	2.4
103.05413	1.4
105.06404	2.0
105.07036	26.0
107.08601	37.4
109.02879	7.8
109.06498	3.2
109.10159	29.0
110.03652	3.4
111.04439	4.3
111.08086	2.5
113.09636	2.3
115.07632	2.3
117.07002	11.0
119.08578	21.8
121.10154	28.5
123.08095	1.7
123.11726	14.6
125.09634	3.9
127.03938	3.8
129.07019	2.2
131.08585	20.5
131.96332	1.4
133.10120	17.1
135.08096	1.9
135.11703	25.5
137.09607	2.6
137.13264	4.8
139.11113	1.5
139.71130	1.2
143.08537	3.0
145.10138	19.0
147.08089	1.4
147.11690	14.6
149.09648	2.0
149.13268	18.0
151.11177	3.0
151.14825	3.0
153.12697	2.2
155.01060	7.6
155.08557	1.9
157.10146	3.3
159.11684	20.1
161.13272	17.4
163.11145	2.6
163.14857	11.7
165.12802	2.5
165.16396	1.7
169.10190	1.6
170.07121	1.2
171.11664	3.5
173.13249	16.5
175.14828	3.7
177.12822	2.6
177.16441	6.6
179.14334	1.9
185.13196	2.6
187.14850	8.4
189.16342	1.4
191.00049	3.1
191.14447	1.3
193.12215	2.3
199.14763	2.0
201.16388	2.9
203.17876	1.3
213.16422	1.3
215.17944	2.3
220.12328	1.3
243.18826	2.2
243.21109	29.7
255.21077	10.7
261.22147	100.0
263.23666	5.2
273.22205	6.1
277.21790	1.6
279.23260	2.9
293.21024	1.2
295.22675	1.4
303.23184	1.7
317.24942	1.8
335.25861	17.7
337.27362	7.5
338.08060	1.6
351.25357	1.2
353.26892	82.6
377.26749	3.5
399.32294	2.0
417.33557	3.0
435.27368	10.0
443.28021	2.5
451.21301	2.1
469.22623	2.2
543.25861	1.4
543.36810	1.5
561.27155	5.1
561.37524	6.2
579.39380	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26836	2.4
53.65144	1.9
55.05524	13.7
57.03426	6.6
65.03945	3.4
66.53371	2.0
67.05511	40.8
69.07082	12.1
69.28806	20.3
73.74850	2.5
79.05504	30.9
81.03434	3.5
81.07061	38.6
83.08620	5.6
91.05491	15.5
93.07052	46.6
95.04969	4.5
95.08608	37.3
97.02893	2.5
97.06527	3.5
97.10182	2.4
99.04472	2.8
105.07046	11.8
107.04958	4.6
107.08602	25.0
109.06487	4.4
109.10146	8.4
116.03493	2.0
117.07044	6.7
119.08584	9.5
121.06469	3.0
121.10150	15.8
123.11700	2.9
123.18707	2.1
130.86235	2.5
131.08557	3.4
133.10138	4.7
135.11720	30.6
145.10115	18.3
147.11708	2.6
149.13234	4.1
155.86086	2.1
163.11185	30.7
174.11839	2.6
179.79985	2.1
181.12202	7.9
227.12805	48.9
230.31805	2.4
261.22083	6.6
270.94519	2.1
283.15393	32.0
335.25824	100.0
528.37927	3.9
543.36853	52.8
546.38495	2.9
579.38586	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	579.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01860	0.8
55.05505	0.4
56.05031	0.4
57.03409	0.6
61.02925	0.5
65.03928	1.1
67.05492	0.9
69.03432	2.1
69.07072	0.6
70.06602	2.8
70.37591	0.3
70.71349	0.4
70.71706	0.3
71.52599	0.4
72.08138	0.9
74.64184	0.3
77.03905	0.3
78.04717	1.6
79.05493	1.5
81.03401	1.1
81.07030	0.4
84.04507	0.7
84.08121	1.3
85.02905	2.9
86.09689	2.1
87.04436	0.4
91.05487	1.6
93.03388	0.4
93.07037	0.7
93.61182	0.3
95.04966	0.9
95.06090	0.8
96.05750	0.4
97.02890	1.0
97.06512	0.8
102.05495	0.4
103.05474	1.1
105.07073	0.4
106.04185	1.5
107.04943	1.4
109.02827	0.7
110.07184	0.5
115.05466	3.2
117.07030	5.5
119.08591	0.6
120.08117	1.1
123.04433	5.8
124.05207	2.3
125.05988	0.4
127.05424	1.2
129.10223	0.7
134.03664	0.5
142.02628	0.8
145.05345	0.3
145.06490	8.2
151.03886	0.9
152.04745	1.8
153.05457	0.6
155.06042	3.4
161.06001	0.6
166.08607	0.4
167.07048	100.0
171.06479	0.6
173.06000	19.1
175.07539	0.9
177.05499	0.8
181.04965	22.5
189.05531	0.4
190.06290	0.4
201.05447	1.1
203.07069	0.4
205.08578	4.2
207.96606	0.3
213.05562	0.6
233.08086	6.3
234.98929	0.6
235.09637	3.7
325.14209	0.6
353.13867	1.1
355.11780	0.4
387.14401	15.0
417.15506	10.7
579.20764	55.9
580.21002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03939	0.5
55.01861	0.4
57.03419	0.3
61.02920	0.3
65.03949	1.2
66.94360	0.2
67.05496	0.4
68.08244	0.2
69.03444	1.3
70.03525	0.6
70.06577	0.8
71.04971	0.3
73.02937	0.4
77.03925	0.3
78.04712	1.9
79.05488	1.0
81.03410	0.8
82.04178	0.4
84.08137	0.4
85.02915	1.6
86.09694	0.9
90.69296	0.3
91.05476	0.9
95.04958	0.8
97.02883	0.9
97.06527	0.4
98.11765	0.3
103.05473	1.4
106.04152	1.3
107.04971	1.3
109.02866	0.5
110.03654	0.6
115.05463	3.2
117.07021	5.2
119.08631	0.2
123.04437	4.7
124.05229	1.3
125.06029	0.3
127.05432	0.9
134.03590	0.4
135.04402	0.6
136.07558	0.9
137.05920	0.5
142.02608	0.6
145.06500	7.9
145.75217	0.3
147.08090	0.4
151.03908	0.9
152.04674	2.2
153.05367	0.4
155.06035	3.4
155.11787	1.0
161.05911	0.3
167.07045	100.0
168.07405	0.4
171.06546	0.5
173.05991	20.7
175.07599	0.6
181.04959	21.5
201.05574	0.9
205.08601	4.1
214.19745	0.2
233.08112	5.3
235.09651	3.8
249.16006	0.3
277.15469	0.3
387.14389	16.4
406.73770	0.3
417.15466	11.4
579.20740	58.0
580.21136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33382	1.1
53.03945	3.6
55.01861	4.9
55.05517	14.9
57.03436	6.8
57.07058	4.5
61.02927	7.2
65.03928	3.3
66.84850	1.2
67.05507	75.9
69.03418	5.6
69.07068	24.8
69.85393	5.6
71.04980	3.3
71.08618	2.1
73.02921	8.4
73.06562	1.8
75.04491	1.2
79.05497	43.3
81.03430	7.7
81.07058	86.9
83.04962	3.6
83.08630	9.3
85.02916	10.2
85.06541	3.0
89.92168	1.1
91.03973	7.6
91.05481	25.8
93.07046	55.6
95.04949	5.1
95.08607	68.3
97.02901	7.3
97.06519	5.4
97.10160	4.0
98.20761	2.1
98.98471	3.8
99.04459	3.8
99.08085	2.2
105.07040	27.6
107.04948	1.9
107.08601	39.2
109.02901	9.6
109.06490	2.1
109.10161	38.3
110.03657	3.2
111.04443	4.7
111.11752	1.2
113.09642	1.4
115.07570	3.6
117.07034	11.4
117.95117	1.0
119.08582	22.9
121.10147	33.5
123.08107	1.9
123.11713	20.9
125.09610	3.3
127.03896	5.0
129.06975	2.6
131.08577	26.1
133.10144	20.5
135.07965	1.1
135.11699	29.8
137.09630	1.9
137.13251	7.0
139.11131	2.2
143.08601	2.8
145.04987	1.5
145.10143	21.0
147.11693	20.9
149.09607	2.6
149.13272	20.2
151.11134	2.3
151.14766	2.1
153.12715	2.0
155.01059	2.2
155.08540	2.0
157.10130	2.7
159.11705	23.7
159.61919	1.1
161.13264	34.2
163.11234	1.8
163.14832	14.2
163.69859	1.1
165.12793	3.1
169.10246	1.2
171.11729	2.2
173.13275	20.5
175.14821	4.6
177.16425	6.2
179.14326	3.2
185.13237	3.3
187.14841	10.4
191.00108	2.4
191.14264	2.6
199.14798	1.9
201.16385	3.7
205.15977	1.1
213.16412	1.2
215.17989	2.2
219.17583	1.2
220.98102	1.4
233.22725	2.4
243.21103	31.7
255.21109	30.3
261.22153	100.0
263.23563	3.1
273.22134	13.8
279.23087	5.4
285.22351	1.4
285.25717	1.9
317.24619	2.4
327.27954	1.2
335.22043	1.9
335.25824	25.1
337.27344	2.7
351.22968	1.5
353.26874	86.6
368.93750	1.2
369.24261	2.3
375.66177	1.1
389.26718	1.2
399.32428	1.6
417.33594	3.3
433.20407	1.8
435.27493	23.5
443.27914	2.2
451.21375	2.6
469.22375	2.0
487.23471	1.4
543.36713	1.5
561.27362	8.3
561.35779	1.4
579.28717	3.1
579.38525	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	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01883	7.4
55.05514	40.1
57.03445	15.2
57.07084	5.3
59.05000	3.4
64.93950	3.4
65.03942	3.4
67.05509	94.7
69.03439	4.8
69.07073	31.3
71.04993	11.6
71.08617	7.1
71.52655	3.5
75.42347	2.4
79.05499	83.5
81.03434	33.1
81.07065	100.0
82.07381	3.0
82.19086	2.4
83.04990	9.6
83.08630	23.1
85.02943	3.1
85.06547	9.3
91.05488	56.1
93.06487	4.7
93.07055	77.1
94.07398	2.4
94.09751	2.6
95.04979	21.0
95.08614	70.6
96.41666	2.4
97.06538	11.0
97.10178	23.0
99.04500	2.9
99.08098	3.7
105.07038	54.8
107.04959	7.6
107.08597	48.6
109.06533	8.8
109.10165	28.2
111.08090	7.5
113.30664	2.7
117.07052	18.9
119.08590	49.7
121.06506	9.6
121.10170	32.5
123.08105	6.3
123.11728	10.6
125.09640	20.1
128.06236	3.3
129.07022	18.6
131.08572	40.0
133.06534	3.4
133.10152	36.8
135.08073	5.2
135.11687	22.0
137.09583	6.8
137.13248	2.9
141.06981	7.2
142.07785	3.1
142.12308	3.1
143.08603	14.4
145.10126	29.5
147.08067	4.6
147.11684	24.1
149.09627	8.7
149.13272	10.4
151.11217	6.3
155.08598	8.6
157.10161	18.7
159.11716	25.6
161.13281	10.6
163.11171	9.3
165.12775	5.8
167.10640	3.3
169.10086	9.4
171.11703	12.4
173.09647	3.4
173.13243	16.8
175.11221	6.4
175.14925	4.7
177.12744	3.1
179.14299	7.6
183.11687	7.5
185.13318	6.6
187.14862	5.7
189.11232	10.5
189.12747	4.2
193.12300	10.4
195.13802	3.2
197.13278	6.1
199.13168	3.3
199.14851	5.0
209.11636	3.0
213.16479	3.5
223.14885	4.9
227.12759	18.0
229.14319	2.8
239.16336	2.8
241.43857	3.4
242.66685	2.9
259.20688	3.2
261.22217	8.2
265.14407	2.8
267.15942	30.4
271.20758	2.9
273.22208	2.9
275.20258	3.5
277.21646	8.4
283.15262	4.3
285.22107	6.5
287.23587	4.4
289.21573	4.1
291.19766	4.2
293.21173	12.3
299.23831	3.2
301.22125	2.8
301.25293	11.2
303.23138	7.0
335.25916	17.1
337.25143	3.4
359.25992	3.3
363.25430	5.2
378.87097	3.1
417.31573	7.8
435.27310	4.8
435.32547	16.1
453.33536	18.1
471.34506	11.4
491.35980	2.9
509.36108	7.1
519.63446	2.9
527.37390	72.2
535.68396	3.6
545.38483	67.5
559.35864	12.6
565.89990	3.5
577.39264	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	577.3739
Annotation	Diosgenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.27018	1.4
53.03947	5.2
54.35447	1.3
55.01882	7.0
55.05513	22.6
57.03435	8.2
57.07093	1.7
59.05006	2.2
61.02650	2.3
61.02935	28.7
62.88894	1.2
65.03938	2.7
67.05511	42.8
69.03438	9.1
69.07076	43.5
69.73982	4.6
71.05008	4.0
71.08637	7.9
73.02923	9.1
73.06572	7.0
79.05499	32.3
79.05968	1.3
81.03423	33.8
81.07059	41.7
83.04999	9.7
83.08625	12.4
85.02909	28.8
85.06570	2.6
85.10174	2.8
91.03963	19.8
91.05486	30.3
93.07052	28.8
95.04977	22.4
95.08617	21.8
95.09177	1.7
97.02896	17.7
97.06551	11.3
97.10172	9.6
99.04444	3.6
99.08109	6.1
101.02381	1.2
103.05478	1.8
105.07041	33.1
107.04982	11.3
107.08602	29.0
109.06523	7.4
109.10162	26.5
111.04443	6.2
111.08093	7.2
113.09628	1.9
115.03941	2.6
115.05478	2.4
115.07600	7.4
117.07027	10.2
118.34689	1.2
119.08598	19.2
121.06543	5.8
121.09315	2.5
121.10157	26.4
121.10965	0.9
123.08099	4.0
123.11735	4.2
125.09634	17.4
127.03960	6.3
127.11226	3.6
128.06248	1.7
129.07033	10.0
131.08571	25.8
133.06502	3.0
133.10144	29.3
135.08081	3.2
135.11681	8.5
137.09627	1.8
139.11241	1.6
141.07011	3.6
142.07780	7.2
143.08568	13.6
145.05002	5.4
145.06496	4.0
145.10136	20.2
147.08144	3.5
147.10536	1.8
147.11696	28.9
147.12819	2.4
149.09599	7.8
149.13312	5.2
151.11267	2.7
153.09094	2.1
153.12852	2.6
155.08582	5.4
157.10147	51.1
159.08107	2.9
159.11700	25.9
161.09657	1.6
161.13254	6.6
163.06117	1.5
163.11221	9.1
165.12733	1.9
167.10735	1.7
169.10162	5.5
171.11676	13.6
173.09703	1.9
173.11870	2.6
173.13309	8.8
175.07578	1.4
175.11226	5.9
177.12816	5.4
179.14326	1.7
181.12395	2.7
183.11699	7.0
185.09769	1.5
185.13339	5.9
187.14926	1.9
189.11230	10.0
189.12776	1.7
191.10698	2.0
193.12236	7.5
195.11734	2.2
197.13269	9.3
199.14880	4.4
201.12788	2.0
205.12331	1.8
209.11763	2.3
211.14917	5.0
213.16443	4.2
215.18098	1.6
217.44409	1.3
219.13838	20.3
223.13281	2.7
224.15749	2.4
225.12746	1.4
225.16425	3.1
227.12691	6.9
229.14378	3.7
247.20480	1.5
251.18166	2.2
253.19543	100.0
255.21060	3.0
259.20624	1.5
267.15961	10.7
271.20575	57.4
275.17227	2.2
275.20056	13.5
275.22867	1.7
283.15359	1.9
283.24197	7.9
291.19864	1.5
292.77176	1.4
293.21085	20.7
315.23422	2.3
331.22757	2.4
333.24091	2.0
339.22958	1.5
349.23611	4.2
367.25262	7.1
379.29877	3.2
385.23398	2.0
391.24866	2.3
397.31107	3.8
405.26239	3.1
415.32254	5.8
433.25870	39.1
447.27264	2.4
449.30499	3.4
459.27161	1.6
461.29114	1.9
467.31607	5.8
485.32697	6.0
503.34210	2.2
541.35168	10.4
559.36365	34.7
577.37445	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05514	1.6
57.03430	0.6
64.31812	0.3
65.03926	0.3
67.05505	2.9
69.03419	0.6
69.07074	21.9
70.22813	0.5
70.23228	0.7
73.02911	0.5
73.06232	0.2
73.06556	2.7
76.73678	0.2
77.03918	0.4
79.05077	0.3
79.05496	4.2
81.07063	5.4
83.08597	0.6
85.02907	1.5
86.56982	0.2
91.05489	4.7
93.07050	6.0
94.47947	0.2
95.04957	0.7
95.08613	5.4
97.02906	5.2
97.06538	6.1
98.21461	0.4
99.00802	0.4
99.08082	0.4
101.02389	0.4
105.07037	15.5
107.08602	7.5
109.06509	0.7
109.10161	2.8
113.02396	1.4
115.03921	0.9
115.07576	16.2
117.07007	1.1
119.08598	8.9
121.09330	0.4
121.10147	5.0
123.08054	0.4
123.11698	1.1
125.02334	0.4
125.09515	0.3
129.07011	0.5
131.08574	3.3
133.10139	5.8
135.11707	4.7
143.03438	0.6
143.08609	0.6
145.10124	6.7
147.11700	13.7
149.13271	2.2
151.11191	1.3
157.10165	0.8
159.11707	10.6
161.04468	1.7
161.13266	69.6
163.11195	2.5
163.14821	0.5
165.12805	0.3
167.10710	0.7
171.11653	0.8
173.13275	5.4
175.14818	1.0
177.12695	0.3
181.54042	0.2
185.13297	1.7
186.14059	0.3
187.14842	1.1
189.16354	0.5
199.14827	3.0
213.16338	1.8
215.17989	0.4
220.77824	0.3
227.17976	0.9
245.00377	0.3
255.21101	25.9
273.22144	100.0
274.22507	0.6
285.25748	1.5
312.20001	0.3
349.95786	0.3
356.84528	0.3
357.28070	0.3
373.95413	0.3
381.31470	0.4
399.32758	1.4
417.33722	4.9
427.32141	0.6
577.37402	22.9
591.59790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96494	0.3
53.03939	0.8
55.01883	1.5
55.05509	3.0
57.03438	1.7
57.07067	1.1
59.04995	0.4
60.91225	0.3
61.02930	8.5
65.03952	0.6
67.05510	5.1
69.03082	0.6
69.03430	6.9
69.07072	5.6
69.94917	0.7
69.95316	1.1
70.06590	0.3
71.04998	1.2
71.08632	1.2
71.26387	0.3
72.08137	0.4
72.51810	0.3
73.02922	3.6
77.36334	0.3
79.05494	4.9
81.03413	1.5
81.07058	14.6
83.04988	1.6
83.08623	1.8
85.02906	10.4
85.06556	2.3
86.06072	2.1
87.00832	0.6
87.04476	0.3
87.06390	0.3
89.49146	0.3
91.03961	5.9
91.05479	5.0
91.52834	0.3
93.07047	7.4
95.04984	1.6
95.08615	11.0
96.08940	0.6
97.02892	6.9
97.06532	2.4
97.10155	1.8
98.09702	0.9
99.04449	0.6
99.08096	2.0
101.02404	0.7
105.01850	0.8
105.07040	9.7
107.04955	0.5
107.08598	9.7
109.02884	0.7
109.06507	2.3
109.10163	8.1
111.04445	4.7
111.08064	0.6
111.11722	1.5
113.05988	2.0
113.09680	0.5
115.03941	0.8
116.10743	5.7
117.07015	1.6
117.11053	1.5
119.08588	8.1
119.78100	0.4
120.08920	0.6
121.06509	3.2
121.10152	7.6
123.08088	1.3
123.11698	2.9
125.06026	1.8
125.09642	3.8
125.13280	0.3
127.03952	2.8
127.11228	1.3
129.06952	0.6
131.08571	4.8
133.10146	4.5
135.08083	0.9
135.11693	3.6
137.09633	1.2
137.13315	1.2
139.11192	4.0
142.08699	0.4
143.08572	1.7
145.04991	1.5
145.10104	5.9
147.08044	0.5
147.11693	4.7
149.09613	1.7
149.13275	2.5
151.11224	1.3
151.14871	0.5
155.08617	0.9
157.10124	3.0
159.11679	5.3
161.13287	2.4
163.11177	4.0
163.14833	0.5
165.12773	1.2
167.10699	2.4
169.10144	0.3
169.12270	1.3
171.10350	0.4
171.11650	1.8
173.13277	2.6
175.11102	0.4
175.14767	0.4
177.12785	1.0
181.12245	2.7
183.11780	0.6
185.13295	1.1
187.14853	1.0
191.14459	0.4
197.13315	0.7
199.14877	0.6
201.16513	0.5
211.14867	1.1
213.16394	5.5
214.18103	0.5
215.17972	20.7
225.16408	0.6
227.18034	0.6
229.19551	0.7
231.05029	0.4
233.19067	1.2
237.16356	0.6
244.12584	0.3
253.19530	3.7
255.21132	2.7
269.19073	0.6
271.20578	2.2
273.18723	0.3
273.22208	1.1
275.27374	0.4
280.19183	0.4
281.19495	0.9
281.22369	0.6
293.28458	0.9
298.20105	0.5
299.20465	0.5
299.23788	0.6
316.21179	5.8
317.21539	7.6
355.36832	0.3
357.88791	0.3
361.28870	0.4
379.30038	2.0
397.31140	2.8
414.28528	0.8
415.28204	2.5
435.27509	1.3
478.26541	0.9
479.26501	2.8
559.36401	3.5
577.37390	100.0
578.37500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3739
Annotation	Diosgenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	0.9
55.01876	1.3
55.05505	2.6
57.03423	1.9
61.02931	3.8
67.05509	7.2
69.03436	7.9
69.07074	33.1
69.68233	3.2
70.06560	0.6
71.04976	1.3
73.02911	1.3
73.06573	4.4
79.05489	5.2
81.03426	3.6
81.07057	9.4
83.08604	1.2
85.02910	20.9
85.06517	0.8
86.09729	0.6
87.04469	1.2
91.03944	1.6
91.05479	5.2
93.07049	9.1
95.04951	1.6
95.08616	8.9
97.02895	8.3
97.06545	8.6
99.04445	1.7
105.07040	11.1
107.04933	0.8
107.08604	11.9
109.02873	2.3
109.06518	8.5
109.10170	10.8
115.03930	0.8
115.07571	16.7
117.07015	3.4
119.08588	6.6
121.10153	15.4
123.08088	0.7
123.11694	2.0
125.09639	1.8
127.03943	4.2
128.06223	1.4
129.07008	2.5
130.06493	0.8
131.08571	8.5
131.46812	0.6
133.10138	13.6
135.11703	4.0
135.84543	0.5
137.09592	0.7
141.06996	1.2
142.07774	3.3
143.08575	5.7
145.04951	2.6
145.10136	11.6
147.11699	18.6
149.09637	1.2
149.13248	2.2
151.11177	1.8
155.08545	1.6
157.10144	34.7
159.11699	17.8
161.09636	0.9
161.13277	14.2
163.03311	0.6
163.11224	1.8
163.14799	0.7
167.10704	8.4
169.10141	2.4
169.12294	0.7
171.11691	8.6
173.13251	4.8
175.11195	7.2
177.12796	0.7
181.10155	0.9
182.10876	0.8
183.11702	3.8
185.13307	3.3
187.14809	1.4
197.13284	7.3
199.14886	1.7
201.16350	1.0
211.14853	4.3
212.15829	0.7
213.16441	1.8
223.14752	0.9
224.15614	2.2
225.16383	3.9
238.17151	1.6
238.19656	0.6
246.75092	0.6
253.19528	49.3
254.19495	0.8
255.21060	5.2
271.20575	100.0
272.20941	0.9
273.22125	17.1
283.24280	4.4
379.29871	1.5
397.31009	2.1
415.32092	55.9
416.32339	0.8
433.25891	1.2
541.34845	1.9
577.37506	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	577.3738
Annotation	Diosgenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	1.4
53.90683	0.8
54.30285	0.9
55.01862	1.9
55.05511	5.7
57.03439	5.3
57.07070	0.8
61.02930	30.2
64.99673	0.8
67.05505	17.2
68.54775	0.8
69.03426	5.9
69.07071	35.4
69.38400	6.1
71.04996	1.5
72.52271	0.8
73.02924	9.1
73.06555	4.9
79.05496	11.6
81.03419	4.2
81.07063	26.5
83.04959	1.8
83.08624	2.6
85.02907	25.5
85.06551	2.5
91.03963	20.3
91.05479	12.4
93.07043	16.3
95.04978	3.0
95.08609	13.7
97.02892	20.0
97.06523	6.4
97.10173	1.9
98.98452	7.2
98.98938	0.7
99.04487	1.3
99.08091	1.3
101.02369	1.6
105.07034	18.4
107.04980	1.3
107.08601	19.6
109.02888	2.4
109.06550	2.8
109.10159	21.2
111.04460	0.8
113.09626	0.9
115.03916	2.0
115.05424	0.9
115.07578	7.5
117.05531	0.8
117.07024	6.2
119.08588	9.5
121.10155	20.0
123.08039	1.5
123.11688	5.7
125.09635	9.9
127.03912	6.1
127.11133	3.9
128.06242	1.2
129.07008	5.5
131.08577	15.7
133.10136	20.6
135.08037	1.1
135.11694	7.3
141.07004	1.8
142.07796	5.8
143.08563	10.7
144.39178	0.8
145.04955	5.9
145.10133	21.2
147.11696	27.2
149.02272	1.3
149.09703	1.6
149.13246	4.2
151.11198	1.9
155.01028	6.7
155.08588	3.6
157.10132	51.6
159.11682	21.5
161.09613	1.3
161.13290	6.0
163.06050	1.5
163.11195	1.7
163.14734	1.2
167.10680	1.1
169.10088	4.6
169.12347	1.8
171.11678	10.8
173.13290	8.2
174.39865	0.8
175.11227	2.4
175.14853	1.0
175.79382	0.9
183.11676	5.4
185.13292	4.8
187.14893	2.4
194.25587	0.8
195.11807	1.1
197.13245	8.3
199.14874	2.0
211.14859	7.3
213.16359	7.9
224.15593	1.6
225.16464	3.5
227.12743	0.8
231.17235	1.0
237.07411	0.8
238.17180	1.3
239.17963	1.4
243.21205	1.1
251.17917	1.3
253.19521	100.0
255.21184	2.6
261.22244	3.3
271.20572	57.8
273.18158	1.0
277.21802	1.1
283.24188	4.9
317.24631	1.3
335.25900	5.8
365.88434	0.9
379.30054	4.8
397.30927	5.8
415.26831	1.1
415.32092	6.7
433.25873	47.3
541.35095	1.0
559.36304	4.3
577.37433	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3739
Annotation	Diosgenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.52086	0.8
52.47248	0.8
53.03940	1.9
55.01862	0.9
55.05511	6.9
57.03432	3.0
57.07065	2.2
61.02929	21.2
62.84548	0.8
65.03935	2.4
65.60230	0.9
67.05510	25.1
69.03100	1.0
69.03433	13.4
69.06728	1.3
69.07075	13.2
69.36574	6.2
71.04984	3.6
72.35058	0.9
73.02928	7.4
74.23499	1.0
79.05497	10.4
81.03440	4.4
81.07059	65.9
83.04995	1.6
83.08631	6.3
85.02916	16.5
85.06552	11.0
91.03955	13.3
91.05477	8.7
91.91100	0.7
93.07059	12.7
95.04984	6.9
95.08003	0.9
95.08614	16.5
97.02898	11.0
97.06542	2.2
97.10179	1.8
98.21522	1.9
99.04456	1.4
99.08098	5.2
101.02364	0.9
105.07032	16.6
107.04954	1.2
107.08589	15.8
109.02836	1.6
109.06502	4.7
109.10159	40.0
113.09686	1.4
115.03946	1.0
115.07555	2.3
117.07039	3.6
119.08588	9.6
121.06511	1.0
121.10159	7.8
123.08076	2.9
123.11723	13.1
125.09631	22.6
127.03954	2.8
127.11198	16.4
128.06259	1.7
129.07010	3.7
131.08586	14.1
133.10129	13.8
133.26106	1.0
135.11746	2.9
141.06906	1.6
142.07779	2.9
143.08540	10.3
143.09361	0.8
145.04971	1.5
145.10124	14.4
147.11682	9.6
149.09625	1.7
149.13268	2.6
151.11148	8.7
155.08574	3.7
156.09384	1.1
157.10135	27.3
159.11703	8.9
161.09682	1.1
161.13272	3.1
163.11240	1.1
167.10706	1.6
167.14331	1.3
169.10124	3.3
169.12224	10.8
171.11714	12.5
171.13924	1.4
173.13301	2.4
175.11186	2.6
175.14886	1.1
181.10121	2.0
183.11731	5.6
184.12439	1.2
185.13266	4.3
185.15446	2.4
187.14850	1.6
193.15921	1.0
195.09969	1.0
195.11752	2.8
197.13283	4.1
199.14842	1.9
201.16391	1.6
209.13321	1.5
211.13040	1.7
211.14821	14.1
213.16399	64.3
215.17844	1.0
223.14975	2.3
225.16422	2.2
227.17924	2.1
229.15910	4.1
229.19621	2.2
231.17473	6.4
237.16391	4.7
239.17996	4.5
251.18027	2.6
253.19467	9.5
255.17490	2.1
265.19601	1.2
267.16077	1.3
269.19077	2.9
271.20569	14.2
273.18488	2.3
273.22107	2.2
279.21240	1.3
281.22726	3.6
283.20862	1.0
297.22159	1.2
361.28848	2.9
379.29990	19.3
397.31012	33.6
415.32108	17.0
433.26147	2.0
449.25446	1.2
559.28290	1.6
559.36273	9.7
577.37396	100.0
578.37921	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.92709	1.2
54.47275	1.4
55.01877	2.8
55.05508	8.2
57.03439	3.5
57.07074	3.3
61.02937	21.7
61.57714	1.3
65.03962	2.3
66.95767	1.3
67.05510	36.0
67.73175	1.4
69.03440	11.5
69.07072	20.8
69.34218	11.1
71.05003	4.6
72.66908	1.4
73.02930	8.9
79.05502	18.1
81.03430	7.4
81.07064	66.7
83.05016	2.4
83.08640	7.1
84.74274	1.4
85.02912	21.3
85.06546	13.4
91.03951	12.0
91.05479	13.8
93.07053	20.1
95.04987	9.6
95.08617	18.4
97.02898	13.6
97.06556	4.7
97.10194	2.6
99.04435	1.6
99.08112	5.2
101.02383	2.1
105.07035	21.7
107.04967	2.6
107.08605	16.5
109.02905	2.8
109.06525	3.2
109.10165	46.0
111.08082	2.6
115.07626	2.0
117.07047	4.0
119.08581	13.7
121.06489	2.7
121.10158	11.5
123.08117	1.8
123.11713	15.5
125.09642	25.2
125.10489	1.2
127.03938	4.9
127.11203	15.2
128.06270	2.2
129.07018	4.7
131.08568	17.6
133.10152	16.5
135.11690	5.9
141.07071	1.8
142.07820	3.1
143.08585	12.2
145.05013	2.7
145.06493	2.5
145.10149	15.8
147.11699	12.3
149.09653	1.7
149.13326	2.8
151.11212	12.2
152.17252	1.3
155.08600	5.4
157.10127	26.9
159.11717	12.1
161.09618	2.5
161.13281	6.4
163.11162	2.6
165.12788	2.0
169.10133	4.8
169.12250	11.3
171.11720	12.6
171.14258	1.2
173.13283	4.1
175.11211	3.2
181.10155	2.3
183.11713	4.6
185.13338	3.8
189.11266	2.0
195.11742	3.3
197.13347	4.9
199.14882	3.5
209.13287	2.4
211.14854	11.3
213.16402	54.4
215.14372	1.4
223.14897	1.6
225.16388	1.4
227.17996	2.4
229.15947	2.7
231.17564	4.6
237.16431	3.5
238.20680	1.5
239.18015	3.0
241.19386	1.4
251.18135	4.1
253.19490	14.3
255.17517	2.3
255.21220	5.0
265.19534	1.8
267.15979	2.1
271.20554	12.7
273.18564	2.9
273.21967	2.9
273.61487	1.8
275.19974	2.5
277.21738	1.8
281.22784	3.0
355.10117	1.8
360.58978	1.8
361.28973	4.5
379.29938	22.1
397.31036	32.8
415.32025	7.8
433.25989	6.2
435.27335	2.0
541.35510	2.4
559.36517	12.2
577.37408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21280	1.5
53.03949	4.8
54.47441	1.9
55.01865	7.7
55.05517	17.8
57.03443	8.3
57.07079	3.3
61.02925	4.9
65.03949	1.6
67.05509	37.8
67.94672	1.5
69.03436	14.2
69.07072	38.3
70.69799	3.6
70.70145	1.6
71.04993	4.3
73.02925	8.6
79.05497	45.1
81.03422	18.4
81.07059	40.9
83.04975	7.4
83.08617	10.5
85.02911	19.6
85.06547	4.7
91.04899	2.7
91.05479	44.6
93.07049	61.3
94.92854	1.5
95.04970	7.6
95.08615	30.6
97.02898	11.3
97.06525	10.6
97.10165	5.5
99.04469	5.2
99.08109	3.5
105.07034	54.4
107.04962	5.7
107.08600	36.2
109.02888	13.5
109.06539	9.7
109.10159	16.3
110.03685	4.6
111.04446	6.8
111.08047	2.8
113.09626	1.9
115.05518	1.9
115.07537	10.5
117.07021	13.6
119.08594	43.0
121.06489	2.2
121.10149	28.4
123.08078	7.1
123.11732	4.3
125.09646	5.4
127.03934	8.1
128.06235	1.6
129.07016	11.1
131.08577	21.4
132.99522	3.6
133.10136	37.4
135.08049	4.4
135.11711	24.4
141.07001	2.0
142.07774	2.8
143.08598	9.8
145.04884	2.3
145.06500	2.0
145.10126	21.9
147.08083	2.0
147.11687	38.7
149.09631	5.6
149.13258	20.1
151.11223	2.8
155.08548	3.2
157.10164	12.6
159.08044	1.9
159.11690	16.4
161.09686	1.9
161.13258	69.3
163.11194	6.3
163.14848	5.8
165.12930	1.7
167.10725	4.1
169.10161	3.3
171.11711	11.1
173.13248	10.6
175.11276	3.0
175.14857	10.4
177.12769	4.2
181.10173	2.2
185.09679	1.7
185.13309	11.5
187.14790	2.9
189.11346	2.5
191.00146	5.5
193.12117	2.0
195.11613	1.7
197.13281	1.8
199.14845	6.6
201.16383	2.7
211.14960	2.8
213.16409	8.2
215.17976	1.9
227.12672	1.8
231.21049	5.0
232.48129	2.0
241.19510	28.8
250.05133	1.6
253.19519	5.6
255.21051	2.3
259.20578	67.9
261.22327	2.2
267.15955	3.7
271.20566	64.3
273.22131	2.8
275.20200	6.0
277.21588	10.1
283.24213	1.8
293.21313	2.6
301.21658	2.5
328.24673	1.7
333.24289	10.8
349.23883	3.1
351.25287	100.0
375.25357	3.3
397.30884	2.2
415.32129	37.6
449.19678	1.7
541.34930	2.1
559.26123	5.8
559.36273	8.2
577.27991	4.2
577.37091	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.49131	1.0
55.01878	1.4
55.05515	6.7
57.03442	14.1
57.07083	31.3
60.70312	0.9
61.39784	0.8
67.05511	14.1
69.07081	6.7
70.17873	2.1
70.18268	1.7
71.04985	1.6
71.08639	20.9
73.06611	1.1
76.63670	0.8
79.05499	6.1
79.73831	1.1
81.03425	64.5
81.07069	19.4
83.04974	2.9
83.08163	1.3
83.08628	20.6
85.10196	11.7
89.06050	1.4
91.05491	11.6
93.07047	5.1
95.04982	16.0
95.08617	17.1
97.02880	1.5
97.06521	1.7
97.10185	4.7
99.08082	1.3
102.07162	1.1
105.07056	9.7
105.56911	0.9
107.04973	4.5
107.08599	2.8
109.06515	3.5
109.10165	9.4
111.08086	4.2
114.57193	0.9
115.05468	1.8
116.37334	0.9
119.08588	8.7
121.06500	1.8
121.10154	3.3
123.08079	1.6
123.11702	3.0
129.07031	5.4
131.08592	4.7
133.06465	2.5
133.10156	3.8
137.09618	2.7
142.07849	1.2
147.08035	2.3
147.11713	6.0
149.09628	2.9
157.10121	7.0
165.12764	1.7
175.11172	5.8
193.12268	21.1
211.13339	2.0
239.23746	1.9
249.14842	2.5
257.24820	1.1
267.15948	100.0
309.37210	1.1
313.27390	94.4
505.38965	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	577.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21280	1.5
53.03949	4.8
54.47441	1.9
55.01865	7.7
55.05517	17.8
57.03443	8.3
57.07079	3.3
61.02925	4.9
65.03949	1.6
67.05509	37.8
67.94672	1.5
69.03436	14.2
69.07072	38.3
70.69799	3.6
70.70145	1.6
71.04993	4.3
73.02925	8.6
79.05497	45.1
81.03422	18.4
81.07059	40.9
83.04975	7.4
83.08617	10.5
85.02911	19.6
85.06547	4.7
91.04899	2.7
91.05479	44.6
93.07049	61.3
94.92854	1.5
95.04970	7.6
95.08615	30.6
97.02898	11.3
97.06525	10.6
97.10165	5.5
99.04469	5.2
99.08109	3.5
105.07034	54.4
107.04962	5.7
107.08600	36.2
109.02888	13.5
109.06539	9.7
109.10159	16.3
110.03685	4.6
111.04446	6.8
111.08047	2.8
113.09626	1.9
115.05518	1.9
115.07537	10.5
117.07021	13.6
119.08594	43.0
121.06489	2.2
121.10149	28.4
123.08078	7.1
123.11732	4.3
125.09646	5.4
127.03934	8.1
128.06235	1.6
129.07016	11.1
131.08577	21.4
132.99522	3.6
133.10136	37.4
135.08049	4.4
135.11711	24.4
141.07001	2.0
142.07774	2.8
143.08598	9.8
145.04884	2.3
145.06500	2.0
145.10126	21.9
147.08083	2.0
147.11687	38.7
149.09631	5.6
149.13258	20.1
151.11223	2.8
155.08548	3.2
157.10164	12.6
159.08044	1.9
159.11690	16.4
161.09686	1.9
161.13258	69.3
163.11194	6.3
163.14848	5.8
165.12930	1.7
167.10725	4.1
169.10161	3.3
171.11711	11.1
173.13248	10.6
175.11276	3.0
175.14857	10.4
177.12769	4.2
181.10173	2.2
185.09679	1.7
185.13309	11.5
187.14790	2.9
189.11346	2.5
191.00146	5.5
193.12117	2.0
195.11613	1.7
197.13281	1.8
199.14845	6.6
201.16383	2.7
211.14960	2.8
213.16409	8.2
215.17976	1.9
227.12672	1.8
231.21049	5.0
232.48129	2.0
241.19510	28.8
250.05133	1.6
253.19519	5.6
255.21051	2.3
259.20578	67.9
261.22327	2.2
267.15955	3.7
271.20566	64.3
273.22131	2.8
275.20200	6.0
277.21588	10.1
283.24213	1.8
293.21313	2.6
301.21658	2.5
328.24673	1.7
333.24289	10.8
349.23883	3.1
351.25287	100.0
375.25357	3.3
397.30884	2.2
415.32129	37.6
449.19678	1.7
541.34930	2.1
559.26123	5.8
559.36273	8.2
577.27991	4.2
577.37091	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	576.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	6.7
57.03440	0.7
69.03430	1.1
69.07071	9.1
70.02959	6.5
70.06593	7.9
70.41068	2.0
72.08150	6.2
74.06081	11.5
81.07043	0.9
82.06590	3.0
84.04500	11.5
84.08138	2.8
85.02912	1.6
85.04031	1.1
86.09708	96.6
88.03993	71.1
91.05458	0.9
93.07034	0.8
95.06095	0.7
96.08131	0.9
98.02415	2.1
100.07652	3.6
101.07137	1.9
105.62086	0.6
109.06454	0.7
110.02394	0.9
110.06048	1.0
111.05559	13.1
112.03973	10.2
112.08749	0.8
119.04903	0.9
120.08110	2.4
121.06512	2.7
124.03979	0.7
125.07113	4.6
126.05518	14.9
127.04044	0.7
127.05029	2.4
127.08643	1.5
129.06586	3.9
129.10272	1.7
130.04987	0.8
132.10190	2.2
133.06088	1.6
136.07602	1.2
137.06017	0.8
139.05035	4.7
141.10223	3.4
142.08713	0.8
144.06557	31.1
145.06125	2.3
153.06587	16.4
154.05006	2.1
154.08716	0.8
155.04564	0.9
155.08182	1.4
155.11798	1.8
156.10211	5.9
166.08681	3.1
171.07680	7.7
173.05623	3.3
181.06097	3.6
183.04034	1.2
183.11296	2.8
189.08708	19.9
193.00763	0.7
198.08757	1.4
199.07146	83.3
201.05341	4.2
201.12343	30.9
217.08209	17.7
221.12854	2.2
227.06665	1.7
229.11806	13.5
229.13939	0.9
242.11346	4.9
243.35796	0.7
245.18608	10.8
245.20978	0.9
251.16542	0.7
253.04707	1.2
260.12473	0.7
268.09195	0.8
268.13071	1.1
270.07242	1.6
285.14548	1.0
288.08264	2.2
296.08710	1.1
314.09842	32.2
314.13278	2.0
316.15158	1.1
323.09232	2.0
332.10883	100.0
360.21371	1.7
364.11749	2.3
399.18936	2.1
400.16830	0.8
417.19800	25.1
427.17957	1.7
439.18820	0.9
445.19287	21.0
488.16721	1.3
558.27594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01863	0.6
55.05504	2.1
57.03426	1.2
59.04993	0.6
61.02944	0.9
62.06076	0.8
66.87602	0.5
67.05503	3.2
69.03427	7.2
69.07070	4.1
69.28226	2.0
69.28661	2.0
70.06598	1.4
70.07401	0.5
70.75658	0.4
71.04985	0.9
71.08638	8.0
72.08154	2.7
73.02904	0.9
76.93439	0.5
81.03431	2.4
81.07057	5.1
82.07368	0.7
83.04980	0.6
83.08618	0.8
84.08143	1.0
85.02905	6.7
86.03188	0.5
86.06069	21.4
87.04451	1.6
91.05484	4.9
93.07050	4.6
94.06577	0.6
94.12290	0.5
95.04962	0.7
95.08609	12.3
96.08128	4.5
96.08943	1.0
97.02901	4.3
97.08902	0.5
97.10159	0.6
98.06067	1.3
98.09696	7.7
99.04430	1.4
99.08099	10.4
105.07034	1.8
107.08607	1.1
108.08124	2.1
108.08826	0.4
109.02879	1.9
109.10160	4.3
110.09689	0.7
110.10452	0.7
114.09173	0.5
116.10736	56.1
117.07005	0.5
117.09133	0.6
119.08588	8.9
121.10145	1.3
122.09650	1.4
123.08077	0.9
123.11684	1.2
124.07584	1.3
126.09116	1.0
127.03930	4.2
129.07076	0.5
135.11682	0.6
136.11127	0.7
137.09607	7.1
137.13226	0.9
138.09122	0.9
140.10722	0.9
142.08653	5.1
143.10634	2.5
145.04956	1.6
147.08061	2.4
147.11739	0.6
149.13232	0.8
154.15837	0.7
159.11673	0.6
165.09149	1.9
167.98402	0.6
179.09912	0.6
183.10207	0.9
196.16980	2.4
201.11272	0.8
209.11766	0.7
214.18031	28.9
220.16907	0.7
225.11150	0.7
227.12756	0.8
236.20123	0.8
238.18137	1.2
243.12323	1.4
245.13878	2.2
250.17952	0.7
252.19678	0.7
254.21150	7.4
256.19104	4.0
261.13370	4.2
262.17978	0.6
280.19061	7.9
280.27274	0.8
291.26965	0.6
292.27200	0.9
298.20132	7.3
316.21201	100.0
317.21432	0.7
318.27835	0.5
376.23190	4.1
396.27460	2.2
414.28528	24.7
478.26498	23.9
478.33624	0.7
576.33899	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	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.2
55.05730	1.2
55.91798	1.2
57.03440	14.2
57.07076	29.5
67.05507	13.4
69.06243	1.4
69.07078	6.0
71.08637	21.8
71.12450	2.6
79.05502	8.7
81.02941	3.4
81.03419	65.1
81.07062	16.0
83.04987	3.8
83.08620	17.3
85.10177	11.8
89.06016	1.5
91.05496	13.1
93.07045	4.9
95.04983	17.5
95.08607	16.2
97.02880	2.0
97.06539	1.3
97.10188	6.6
103.39852	1.5
105.07020	9.3
107.04967	3.4
107.08620	2.6
109.10166	5.3
111.04420	1.7
111.08076	3.1
119.08585	8.1
121.10141	4.8
123.11737	3.0
129.06992	5.6
131.08553	5.4
133.06529	1.7
133.10143	4.0
137.13268	1.5
141.04660	1.2
145.10074	1.4
147.11679	5.5
149.09608	4.2
157.10179	8.1
166.55200	1.4
166.66557	1.2
175.11183	7.0
193.12256	18.7
211.13242	1.6
239.23663	2.0
249.14648	2.7
257.24860	1.6
267.15930	100.0
313.27386	96.4
340.64740	1.6
395.22971	1.6
505.38892	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35990	2.3
53.03943	8.2
55.01861	12.4
55.05279	3.3
55.05518	42.3
57.03442	12.3
57.07078	3.9
59.04997	4.9
65.03923	5.0
66.36980	2.3
67.05509	100.0
69.03427	4.6
69.07075	28.1
70.67300	5.8
71.04997	20.1
71.08630	3.4
79.05495	69.3
81.03433	14.5
81.06606	4.5
81.07061	73.3
83.04969	10.0
83.08625	25.8
83.55382	2.4
85.02881	3.6
85.06523	8.1
88.34188	2.3
91.05488	64.8
93.07050	65.2
95.04973	18.3
95.08611	62.4
97.06518	10.8
97.10171	23.8
99.08103	8.7
103.05370	2.4
103.53747	2.3
105.04479	4.6
105.07038	64.3
107.04945	10.1
107.08598	40.9
109.06512	9.8
109.10155	27.5
111.04455	3.2
111.08060	8.5
115.05453	6.5
117.07018	31.2
119.08584	46.3
121.06500	6.9
121.10147	25.6
123.08059	10.7
123.11717	5.4
125.09645	20.4
128.06236	5.7
129.07008	20.0
130.07703	2.2
131.08572	39.3
133.06502	4.9
133.10138	31.3
135.08037	10.6
135.11684	12.2
137.09608	4.0
139.11119	3.0
141.06967	9.2
142.07861	5.8
143.08575	23.0
145.06499	4.4
145.10126	39.5
147.08035	7.0
147.11734	13.6
149.09583	10.2
149.13290	4.4
151.11179	5.8
153.09093	4.2
155.08522	9.9
157.10118	25.2
159.08022	3.6
159.11703	22.9
161.09615	8.0
161.13304	6.0
163.11153	6.7
167.08585	4.5
168.09427	3.3
169.10109	13.4
171.11690	20.8
173.09647	5.5
173.13232	15.7
175.11195	4.4
179.08542	3.9
181.10098	8.1
183.11702	14.9
185.13235	17.8
187.11253	4.7
187.14798	6.9
189.11200	10.8
193.12209	7.4
195.11684	9.0
197.13275	10.1
199.11028	2.8
199.14827	7.3
201.12709	3.9
203.14456	3.1
207.11598	3.8
209.13324	5.0
211.13110	5.2
211.14969	3.9
213.16608	2.6
217.15984	3.5
219.13774	4.0
221.13307	3.5
222.10661	2.5
223.14932	3.0
227.12683	20.1
229.14323	3.6
241.07191	2.6
267.15903	6.0
273.18484	11.0
275.20041	12.0
281.22748	2.4
283.20560	3.3
285.22089	6.6
287.20026	3.1
291.19461	15.6
293.21201	4.8
295.20276	2.6
299.23697	8.8
301.21747	4.1
307.20511	3.2
313.21503	3.0
321.22235	2.6
325.21545	3.7
327.23218	3.1
330.16254	2.5
339.23044	4.5
341.24695	2.7
347.22101	3.5
359.25961	2.8
421.25598	4.8
433.30902	20.5
449.03210	2.6
451.32346	14.8
469.32916	6.0
483.35071	5.4
507.34766	10.3
515.37054	4.2
517.35333	23.7
525.35773	57.6
543.36841	58.6
557.36102	15.2
575.38257	30.5
575.49744	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10705	0.2
50.70245	0.2
52.57335	0.2
53.03944	0.5
55.01875	1.2
55.05515	2.4
57.03434	1.9
57.07061	0.3
61.02932	7.4
65.03932	0.5
67.05508	4.0
68.99693	0.2
69.03083	0.4
69.03433	5.1
69.07072	2.9
71.01358	0.4
71.04984	1.0
73.02921	4.1
77.66232	0.2
79.05496	4.5
81.03417	1.5
81.07060	15.9
83.01393	0.2
83.04977	1.4
83.08633	1.4
85.02907	6.1
85.06537	1.4
91.03964	4.4
91.05482	4.5
93.07046	5.6
93.07639	0.3
95.04983	1.5
95.08613	6.7
97.02893	5.7
97.06533	2.1
97.10184	0.8
99.04453	0.7
99.08090	0.5
101.02403	0.8
103.05515	0.3
105.07028	5.6
107.04951	0.5
107.08598	6.0
109.02886	0.7
109.06535	2.1
109.10173	2.5
111.04438	4.0
111.08099	0.6
113.05998	1.6
113.09634	0.6
115.03965	0.4
115.05495	0.3
117.07020	1.6
119.04990	0.3
119.08591	4.1
121.06497	3.3
121.10147	4.3
123.04433	0.5
123.08063	1.7
123.11729	0.8
125.05993	1.9
125.09638	5.5
127.03930	1.5
127.11210	0.3
128.06256	0.9
129.07002	2.3
130.06596	0.3
130.07791	0.4
131.08572	6.7
131.09541	0.4
133.06519	0.2
133.10130	4.1
135.08058	1.7
135.11682	1.8
137.09641	0.7
137.13214	0.3
139.07530	0.3
139.11192	4.3
141.07037	0.6
142.07823	1.2
143.08578	4.4
145.04987	0.5
145.10129	5.7
147.04398	0.3
147.07976	0.4
147.11696	3.2
149.09601	2.1
149.13278	0.4
151.11189	0.6
153.12732	0.3
155.08499	1.4
156.09377	0.5
157.10136	10.6
159.08087	0.5
159.11690	3.1
161.09618	0.7
161.13289	0.5
163.11185	3.9
165.09064	0.3
165.12767	1.1
167.08640	0.2
167.10669	2.2
169.10162	1.7
169.12297	0.5
171.11693	5.1
173.09653	0.5
173.13292	0.9
175.11224	0.7
175.14909	0.3
177.12712	0.3
181.10179	0.9
181.12263	2.7
182.10963	0.3
183.11732	1.9
183.13672	0.3
184.12668	0.2
185.13278	2.0
187.11147	0.5
187.14824	0.8
189.05493	0.3
189.12747	0.4
193.12238	0.4
195.11707	1.6
196.12531	0.7
197.13271	1.1
198.14014	0.4
199.14784	1.0
201.16505	0.3
203.14354	0.2
209.13278	1.2
211.11330	0.3
211.14819	4.0
213.16389	17.9
215.14253	0.3
215.17970	0.3
223.14932	0.5
225.16437	0.7
227.18019	0.9
229.15948	1.0
229.19478	1.2
231.17445	0.8
235.14842	0.4
236.15579	0.4
237.16443	0.5
239.18030	0.4
249.16432	0.3
251.17943	4.4
253.19545	0.9
265.19507	0.3
269.19061	1.6
271.20612	1.5
279.21204	1.0
293.48706	0.2
297.22113	1.4
301.14478	0.3
303.20584	0.3
321.22348	0.4
327.25217	0.3
367.29999	0.3
369.09793	0.5
377.28369	2.0
391.33652	0.2
395.29456	9.3
413.12399	1.0
413.30560	0.7
477.28400	0.4
490.63300	0.3
515.26593	0.4
539.26294	0.6
545.27490	0.3
557.27216	0.8
557.34851	2.0
575.35809	100.0
576.36108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
53.36412	0.3
55.01851	0.7
55.05511	2.6
57.03428	0.8
61.02910	0.4
65.03932	0.5
65.52975	0.3
67.05505	7.4
69.03399	1.3
69.07069	25.8
69.67047	0.8
69.67461	1.0
70.06564	0.6
71.04975	0.5
73.02901	0.5
73.06555	4.5
79.05078	0.4
79.05491	5.3
81.03403	0.5
81.07056	9.0
83.04956	0.7
83.08595	0.6
85.02908	2.6
86.42245	0.3
87.04425	0.4
91.05478	6.4
93.06505	0.5
93.07040	8.5
95.04940	1.3
95.08608	7.6
97.02902	6.0
97.05949	0.4
97.06528	7.0
97.10137	0.8
98.20837	0.5
99.08070	0.5
101.02371	0.5
105.04533	0.3
105.07031	9.1
107.08599	10.1
108.26093	0.3
109.06489	1.0
109.10157	11.2
111.11694	0.3
113.02368	1.9
115.03934	1.5
115.07571	21.1
117.07029	3.0
119.08585	5.8
121.10143	16.3
123.08048	0.5
123.11691	1.6
125.09609	0.7
127.03853	0.6
127.11207	0.5
128.06171	0.8
129.06975	3.8
130.07756	0.6
131.07613	0.5
131.08572	8.9
133.10130	12.8
135.11699	3.3
137.09621	0.8
137.13194	0.3
141.06970	0.9
142.06773	0.5
142.07785	4.8
143.03394	0.7
143.08571	6.2
144.09332	0.3
145.10124	11.5
147.11687	16.2
149.09572	1.0
149.13298	2.0
151.11205	2.1
155.08562	2.2
156.09322	0.6
157.10130	34.5
159.11700	18.7
159.13051	0.8
161.04485	2.1
161.09645	0.6
161.13239	2.1
163.11154	1.6
167.10648	0.5
168.09373	0.4
169.10120	2.7
170.83951	0.4
171.11687	6.9
173.13274	3.5
175.09767	0.6
175.11192	6.8
175.14830	0.7
177.12753	0.8
181.10143	0.8
182.10933	1.0
183.11697	4.5
184.12276	0.4
185.13237	2.8
187.14839	0.6
195.11649	0.8
196.12498	0.8
197.13277	6.3
199.14787	1.1
209.13268	0.7
210.13911	0.4
211.14824	6.1
212.15584	0.7
213.16403	1.1
223.14839	1.3
224.15643	2.3
225.16388	3.0
238.17145	1.9
242.16690	0.3
253.19516	49.8
254.19756	0.5
255.21080	0.9
271.20563	100.0
272.20984	0.8
273.22159	0.9
283.24164	3.2
335.63165	0.3
369.10110	0.6
379.29984	0.8
397.31006	2.2
413.12302	0.9
415.32019	6.7
425.30588	1.2
541.90015	0.4
575.35803	24.4
576.36212	0.5
577.58112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
53.85262	3.4
55.01875	25.4
55.05279	3.4
55.05516	53.4
57.03439	21.1
57.07066	3.1
65.03944	7.7
67.05186	5.1
67.05512	71.6
69.03431	10.3
69.07076	38.1
70.96590	3.0
71.04981	12.5
79.05499	68.7
81.02937	3.9
81.03424	80.7
81.07066	97.4
83.04999	23.1
83.08163	4.9
83.08625	41.5
85.02893	7.5
85.06505	3.8
85.07648	3.3
91.05489	63.5
93.07053	55.1
95.04978	44.0
95.08611	42.7
97.02881	7.2
97.06543	24.7
97.10183	29.9
99.08084	9.4
103.05509	3.4
105.07043	48.0
107.04983	21.6
107.08604	37.5
109.02911	4.1
109.06519	24.0
109.10155	24.7
111.04436	10.6
111.08116	12.9
113.06021	12.1
117.07027	21.8
119.04908	4.7
119.08580	36.0
121.06508	18.4
121.10173	26.1
123.04446	5.2
123.08112	21.4
123.11700	6.9
125.09615	24.4
127.07607	3.8
128.06200	3.6
129.06981	23.5
130.86360	3.3
131.08575	35.4
133.06493	14.5
133.10167	17.2
135.08055	9.8
135.11676	14.5
137.06000	4.8
137.09616	5.9
141.07034	5.0
142.07755	4.6
143.08600	18.2
145.06491	9.2
145.10130	33.3
147.08020	14.1
147.11702	14.8
149.09625	17.6
151.11162	3.3
153.09076	4.3
153.12770	6.3
155.08578	10.4
157.10138	23.5
159.08058	10.1
159.11671	10.0
161.06032	4.1
161.09615	9.0
163.11168	19.6
165.12781	4.1
167.08627	4.9
169.10124	9.5
171.08041	4.3
171.11682	8.6
173.09653	8.9
175.11188	13.8
177.12767	4.1
181.12300	8.1
183.11662	7.6
185.09575	7.7
185.13283	6.4
187.11154	7.5
189.11171	17.2
191.10608	6.4
193.12190	16.4
195.11650	5.3
199.11194	6.8
203.14299	3.6
209.11751	5.9
211.11368	3.3
213.12828	4.0
219.13811	14.6
227.12662	18.4
229.14285	3.8
233.18657	3.4
237.12602	3.7
247.16783	5.0
267.15915	31.1
273.15073	3.8
273.18472	19.9
275.20096	13.9
283.15393	10.0
291.19556	46.6
311.19928	3.8
313.21686	4.5
315.19427	6.8
329.21262	4.9
341.21222	7.3
347.22107	8.0
365.23184	13.6
403.24432	4.5
413.12363	24.3
415.24741	3.8
421.25845	3.9
429.27567	4.0
433.25882	13.6
447.28394	13.5
465.29987	19.1
483.31134	18.8
501.31827	11.2
539.33673	23.0
557.34796	100.0
575.27533	5.7
575.35876	85.5
575.49445	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10950	0.8
53.67198	0.6
54.81285	0.7
55.01866	1.0
55.05505	2.9
56.05017	0.7
57.03432	0.8
61.02924	0.9
65.03935	1.4
65.83201	0.7
67.05501	2.9
69.03435	3.5
69.07063	1.8
70.06593	6.5
70.21523	1.7
70.94936	0.7
71.04986	1.2
72.08152	3.7
79.05487	3.4
81.03413	4.0
81.07048	3.0
83.05003	3.6
83.08608	1.6
84.04473	1.5
84.08141	4.1
85.02899	3.9
86.06041	0.9
86.09715	4.0
91.05496	6.8
93.07039	2.9
95.04970	3.1
95.08607	2.1
97.02903	1.4
97.06528	1.2
100.11260	1.2
103.05467	1.4
105.07034	4.8
107.04930	3.6
107.08578	2.3
109.02884	3.2
109.06516	1.0
109.10133	0.8
110.03659	1.1
115.05444	3.1
116.10716	0.9
117.07010	2.0
119.04961	5.4
119.05756	0.8
119.08569	3.1
120.02073	1.9
120.08100	0.9
121.06535	1.9
121.10140	1.6
123.04427	2.2
123.08042	1.6
124.05282	0.9
127.03899	1.7
129.07014	3.4
129.10252	1.0
131.04907	2.5
131.08549	2.0
133.06468	1.9
133.10153	1.2
135.08087	5.1
137.02319	1.0
137.05984	1.3
137.09668	1.4
138.03087	0.8
141.06963	0.9
143.04987	0.9
143.08553	3.1
144.05696	0.8
145.06493	1.8
145.07544	1.2
145.10121	2.6
147.04443	3.6
147.08032	2.0
147.11768	1.1
148.01535	1.0
149.09615	0.7
151.03844	1.2
153.05569	0.8
153.06842	0.7
155.07104	1.0
155.08510	1.5
156.09360	1.7
157.06528	1.7
157.10101	2.0
159.08040	1.0
161.09654	1.4
165.06989	1.2
165.09081	1.4
166.02670	5.6
167.07057	16.9
167.08447	1.8
169.10126	1.3
170.10909	2.3
171.08142	1.4
171.11705	3.1
173.05952	0.9
173.09625	2.1
173.13171	1.1
175.03934	6.4
175.07487	4.3
175.11128	0.8
181.04964	100.0
183.08023	1.2
183.11621	1.1
184.03671	1.8
185.09537	0.8
185.13313	1.4
187.03909	1.2
187.11215	1.5
189.09058	0.8
191.07088	2.9
191.08607	1.2
193.04961	1.1
195.08139	1.6
195.11784	1.1
197.09666	1.0
198.10431	3.0
199.11314	1.3
201.09149	0.8
201.12677	1.1
203.07043	1.1
204.04121	0.8
205.08594	3.4
207.06436	14.0
207.10191	2.2
208.06079	1.6
208.08878	2.1
209.07913	0.9
209.09732	1.0
212.16371	1.1
213.12758	9.9
219.06485	9.2
219.08255	0.7
223.11182	2.1
229.12280	4.9
230.17659	1.1
231.10168	1.3
237.09145	0.9
241.12251	1.9
250.09546	0.7
251.10712	2.2
259.13367	4.0
263.10461	0.9
265.08755	1.0
269.11685	1.3
277.12296	1.6
279.10223	2.1
281.11441	0.8
283.13275	1.9
307.13150	1.1
307.16943	1.3
309.14694	1.1
311.12671	3.2
317.15311	1.0
325.18054	0.9
335.16428	4.0
337.14316	0.9
339.12335	1.1
349.18015	0.9
352.16708	1.2
363.15881	2.1
367.19073	52.8
377.17261	1.3
385.16504	1.1
395.18567	26.3
396.31299	1.1
403.17435	1.0
413.19580	2.5
521.21448	1.1
539.22699	6.3
557.23975	1.5
575.23553	5.2
575.36450	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.05524	10.1
57.03434	4.5
57.07082	32.9
67.05511	43.2
68.05843	0.9
69.03451	1.0
69.07077	12.4
71.05001	14.1
71.08637	24.6
71.17298	1.8
79.05495	13.1
79.81400	0.9
81.07068	62.1
83.04993	1.9
83.08627	11.1
85.06540	5.4
85.10197	10.6
87.04485	10.7
91.05495	13.6
93.07053	9.3
95.08619	23.3
96.08976	1.5
97.06531	2.8
97.10162	6.1
105.07037	7.9
107.08589	7.0
109.10170	12.3
111.08091	1.2
111.11722	1.1
114.08606	1.0
117.07024	2.3
119.08524	1.6
121.10135	4.8
123.11712	12.0
131.08549	2.0
133.10135	11.0
135.11707	2.5
137.13252	1.1
149.13255	3.5
151.11205	4.1
159.11723	3.2
169.12158	1.6
177.12828	1.6
182.11298	1.2
183.13834	1.8
187.13307	3.2
195.13855	1.6
201.14922	2.1
239.23827	2.1
257.17453	1.9
261.22293	1.6
269.17603	5.2
283.26285	2.7
301.20114	21.5
313.27396	27.4
317.24747	1.7
318.25128	1.6
418.16196	1.2
481.38953	100.0
495.40506	4.7
499.85083	1.0
507.40561	4.2
521.19727	1.2
539.43146	55.9
574.41125	1.5
574.49292	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	575.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01861	0.8
55.05500	1.4
60.61060	0.4
61.02900	0.5
65.03934	1.7
67.05495	1.9
69.03442	2.9
69.07071	1.1
70.06585	1.5
71.05006	0.5
71.52365	0.9
72.08141	1.3
74.06057	0.5
78.04727	0.6
79.05488	2.3
81.03422	3.9
81.07050	1.5
83.04978	3.0
84.08127	1.2
85.02923	3.1
86.09708	1.2
90.23705	0.4
91.05486	4.0
92.02644	0.7
93.03397	0.9
93.07041	1.9
95.04962	2.1
95.08605	1.0
97.02889	2.0
97.06528	0.9
102.01091	0.5
103.05447	1.1
105.03430	0.5
105.07058	3.8
107.04971	2.6
107.08595	2.0
109.02890	1.6
109.06509	0.6
109.10157	1.3
115.05444	2.7
117.07018	1.8
119.04951	1.2
119.08599	3.2
120.02097	2.3
120.08077	0.4
121.06484	0.8
121.10154	0.8
123.04430	2.0
123.08043	0.7
124.05233	0.6
125.05986	0.7
125.09646	0.6
127.03919	1.7
128.06258	1.0
129.06999	4.0
130.04166	0.4
131.04951	2.6
131.08575	1.6
131.18509	0.6
132.05702	0.9
133.02885	0.6
133.06473	1.6
133.10136	1.8
135.04387	0.7
135.08060	5.1
136.07582	0.5
137.02324	0.7
137.05965	0.7
137.09624	1.1
138.03152	0.8
141.07036	0.7
142.07797	1.1
143.04874	0.6
143.08537	2.1
145.06497	1.6
145.10121	1.9
147.04436	0.9
147.08046	2.0
147.11719	0.9
148.01520	1.6
149.09621	0.9
151.03929	0.7
153.05476	0.8
153.06993	0.9
155.08545	0.6
156.09306	0.9
157.06500	1.2
157.10147	2.5
159.04414	1.1
159.08051	1.5
159.11716	1.2
161.05978	1.0
161.09608	1.7
165.07024	1.4
166.02597	4.9
167.07056	16.4
167.08424	0.6
169.10217	0.7
170.10889	1.6
171.08014	1.3
171.11694	2.6
172.08803	0.5
173.05988	1.0
173.09634	1.4
173.13094	1.1
175.07556	5.5
175.11186	1.2
176.04733	0.7
177.05383	0.7
179.03383	0.7
179.07098	0.6
179.08586	0.9
180.09384	0.9
181.04962	100.0
183.06546	0.6
183.08046	1.0
183.11598	0.5
184.03723	1.7
185.09714	0.5
185.13220	2.4
187.03941	1.4
187.07430	0.6
187.11159	1.8
189.09102	0.8
189.12720	0.6
190.06160	0.7
191.06999	2.1
191.08531	0.8
193.04825	0.9
193.08542	0.6
193.10123	0.6
195.07993	1.0
195.11708	1.7
198.10370	2.2
199.07492	0.6
201.05490	0.7
201.09074	0.7
201.12730	1.4
203.06981	0.6
204.04247	0.6
205.04982	0.8
205.08583	4.5
207.06470	1.1
207.08359	0.9
207.10159	3.6
208.08867	1.6
209.09615	0.9
211.05981	1.1
213.09120	1.2
213.12743	9.7
215.14261	1.0
217.10251	0.6
219.06496	9.6
219.08266	0.8
221.07944	0.8
223.11122	2.7
227.10677	0.5
229.12204	3.1
231.10138	0.9
234.10472	0.6
236.08363	0.9
237.09462	0.6
239.10622	0.6
241.12206	2.1
244.40483	0.5
245.11919	0.5
246.10370	0.5
247.11128	0.8
250.09956	0.5
251.10719	3.0
255.10159	0.8
259.13251	3.6
261.12848	0.6
263.10895	1.0
265.08667	0.7
267.10187	0.7
268.10855	0.5
269.11743	0.6
277.12195	0.8
279.10242	1.7
281.11688	0.7
283.10138	0.5
283.13358	1.8
287.10336	0.5
289.15976	0.7
293.11746	0.9
293.15390	1.0
295.13434	0.7
296.10364	0.7
297.11252	0.9
303.13959	0.6
306.12497	0.7
307.16791	0.6
309.15021	0.5
311.12735	4.1
317.15439	0.8
319.13376	0.8
325.17941	0.8
334.15723	0.5
335.16437	5.1
337.14288	1.3
339.12317	1.1
349.17966	0.8
351.12305	0.5
352.16623	1.3
363.15942	1.9
367.19058	53.7
368.19473	0.8
377.17435	1.7
395.18552	23.3
403.17270	1.0
413.12515	0.8
413.19495	2.6
521.21576	0.6
539.22821	4.1
557.23804	2.4
575.25000	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
54.76174	0.9
55.01874	1.8
55.05512	18.9
57.03443	10.3
57.07086	7.4
67.05221	1.0
67.05508	9.9
68.82688	1.0
69.06733	1.3
69.07072	17.8
69.15388	6.7
69.15807	3.8
69.45212	0.9
71.08618	4.2
74.84290	1.0
79.05491	8.8
81.03424	56.4
81.07059	9.4
83.04957	3.3
83.08155	1.9
83.08624	26.0
85.10187	2.6
87.04483	6.8
91.05495	9.9
93.07070	6.0
94.28369	1.0
95.04963	14.9
95.08595	6.5
97.06540	2.1
97.10166	14.2
98.20766	1.7
105.07031	10.5
107.04946	3.1
107.08590	5.0
109.06513	2.2
109.10173	2.0
111.08064	4.0
111.11712	3.9
117.06973	1.0
119.08591	8.6
121.06480	2.4
121.10163	5.4
123.07988	1.4
129.05527	1.2
129.07005	6.4
131.08591	5.7
133.06523	2.1
133.10118	3.3
142.07777	1.8
145.10211	1.1
147.08083	2.0
147.11699	5.3
149.09581	5.2
157.10167	5.2
165.12727	1.9
175.11179	6.3
193.10466	1.2
193.12250	19.9
205.16249	1.0
211.13364	1.3
223.13368	1.0
249.14745	3.1
267.15927	100.0
311.25818	54.6
429.33276	1.4
503.37326	71.7
521.38049	1.7
574.48499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01860	1.1
55.05270	2.0
55.05516	18.7
57.03438	9.8
57.07085	8.8
67.05510	9.8
69.07072	21.0
71.08636	4.0
71.38407	2.1
79.05499	7.2
81.03428	51.5
81.07066	10.6
83.04990	3.3
83.08630	25.4
87.04493	7.0
88.97021	1.2
91.05480	9.4
93.07082	6.1
95.04982	11.9
95.08628	5.6
97.06509	1.3
97.10179	12.0
105.07050	8.5
107.04979	3.0
107.08597	3.4
109.06567	2.2
109.10142	1.4
111.08105	3.8
111.11729	4.1
119.08619	7.3
121.06548	1.3
121.10156	4.1
123.08114	1.8
123.11726	1.3
129.07042	5.7
131.08603	7.1
133.06442	1.5
133.10110	2.6
135.11665	1.5
147.08063	2.6
147.11725	3.4
149.09671	4.6
157.10153	5.7
163.14784	1.3
175.11200	5.5
193.12256	17.8
211.13312	2.1
230.78902	1.3
254.26108	1.1
267.15939	100.0
311.25839	60.0
311.28601	0.9
334.68567	1.2
451.53455	1.1
503.37347	38.1
574.49390	2.3
588.97375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01865	1.7
55.05274	1.6
55.05516	18.2
55.16786	0.7
57.03201	1.1
57.03445	11.3
57.07078	8.1
67.05511	8.3
69.07071	18.1
71.08640	5.1
79.05505	7.6
79.22019	0.8
81.03423	45.5
81.06639	1.3
81.07056	10.3
83.04976	3.3
83.08624	23.4
85.10178	2.6
87.04464	3.7
91.05479	9.6
93.03146	0.9
93.07051	7.6
95.04984	14.6
95.08622	4.4
96.26101	1.0
97.02925	1.3
97.06559	2.0
97.10182	12.2
98.21509	2.5
101.65079	0.8
105.07025	7.5
107.04935	3.5
107.08567	3.9
109.06518	2.0
109.10166	1.9
111.08071	2.8
111.11742	3.0
117.07009	1.3
119.08573	6.1
121.06466	2.5
121.10146	4.8
123.08074	1.6
125.09621	1.1
129.07033	4.2
131.08565	4.1
131.53398	0.8
132.30135	0.9
133.06500	2.1
133.10115	3.5
142.07808	1.2
147.08041	1.1
147.11694	3.9
149.09618	2.8
157.10165	6.5
157.53259	0.9
165.12778	1.0
175.11203	4.9
193.12267	16.0
203.33859	0.9
211.13307	1.5
267.15930	100.0
268.16708	1.0
294.78735	1.0
311.25815	53.8
313.27518	1.3
429.33676	1.4
503.37369	49.1
521.38336	1.2
574.48895	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01860	1.4
55.05516	29.5
57.03442	5.4
57.07085	14.8
67.05509	38.8
69.07071	37.3
69.67487	1.1
71.04996	19.4
71.08652	9.6
71.11868	1.0
73.19445	1.1
77.30823	1.1
79.05492	12.1
81.07064	67.8
83.04962	2.4
83.08627	32.9
85.06555	6.2
85.10188	4.6
91.05486	15.4
93.06567	1.5
93.07059	14.4
95.08158	1.1
95.08630	11.7
97.06519	3.6
97.10184	23.1
105.07033	8.4
107.08612	9.5
109.10175	6.9
111.11727	5.8
117.07016	1.9
119.08582	3.1
121.10148	6.0
123.11715	11.7
131.08546	4.1
133.08612	1.5
133.10147	13.5
135.11700	4.9
149.13290	2.2
150.71468	1.1
151.11174	5.1
159.11703	3.5
161.22046	1.2
169.12219	1.4
171.11613	1.7
177.12682	2.1
178.51752	1.1
183.13788	3.0
187.13301	5.1
195.13805	1.6
204.79305	1.2
269.17526	4.9
301.20120	20.8
311.25806	38.6
457.95718	1.2
479.37372	100.0
493.38882	3.2
505.38806	6.9
516.63440	1.2
537.41553	66.2
566.91321	1.3
572.47858	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	574.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05517	5.2
56.05052	1.2
56.21682	0.7
57.03439	1.8
57.85807	0.9
60.04537	1.0
62.06076	1.6
67.05521	9.0
69.03436	2.0
69.07072	18.1
70.06593	4.4
70.63062	1.1
70.63396	1.5
71.04983	2.0
71.07365	0.9
71.08620	0.7
72.08163	6.7
73.02913	1.3
73.06566	1.8
73.28897	0.6
79.05499	6.3
81.03414	1.3
81.05795	1.1
81.07053	13.6
83.04982	1.3
83.07365	0.8
83.08613	1.6
84.08141	3.0
85.02913	3.0
85.06551	2.0
86.06073	43.3
86.09710	1.4
87.04465	1.1
91.05484	8.2
93.07066	4.9
94.06566	0.9
95.04979	3.0
95.08613	5.7
96.08131	13.2
97.02924	1.1
97.06555	5.5
98.06066	2.7
98.09705	13.5
99.04450	2.3
99.08081	1.6
100.07613	1.1
103.05486	0.8
105.07027	5.8
107.08607	3.3
108.08150	4.6
109.06515	1.9
109.10166	2.3
110.09669	1.7
112.07600	1.0
114.09173	3.5
116.10741	94.7
119.08599	5.2
120.08115	0.8
121.10156	3.3
122.09682	2.2
123.08077	1.2
123.11694	3.6
124.07592	3.8
127.03941	2.0
129.07019	1.7
130.06541	5.2
131.08577	1.9
133.10146	2.8
134.09680	1.1
135.11745	0.8
136.07614	0.9
137.09608	0.8
138.09128	1.7
140.10751	1.3
141.09172	1.3
142.07594	1.2
142.08649	15.5
143.03394	0.8
145.04948	0.9
145.10161	0.9
147.04364	0.9
147.08002	0.8
147.11702	9.4
151.11183	2.0
152.10741	1.6
157.10121	3.9
159.10255	1.5
161.09689	1.0
163.03972	1.1
163.11154	5.0
164.14313	0.8
165.12776	2.8
175.04106	0.8
175.11261	3.8
190.48425	0.8
193.12239	2.0
194.15427	1.5
207.06580	1.3
212.16472	45.0
224.20161	0.7
230.17531	48.4
237.14877	1.9
264.23254	1.9
266.21164	1.7
282.24323	6.0
284.22241	3.5
290.21115	1.0
290.96365	1.0
298.20166	1.5
308.22147	6.8
326.23288	7.2
344.24341	9.8
388.19754	2.8
413.43301	0.7
429.17596	3.1
440.29907	1.1
442.24530	4.6
460.25443	100.0
494.32889	0.9
556.31097	6.1
574.32373	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67596	1.2
55.54202	1.4
58.51500	1.3
60.52903	1.2
63.48342	1.3
67.78971	1.4
69.16983	5.1
69.17407	9.8
82.99849	2.8
85.28236	1.8
87.01392	1.4
94.93024	2.1
98.20716	3.0
101.00880	14.6
113.00851	2.4
119.01936	19.7
127.02422	4.1
131.01889	10.7
133.03444	4.1
139.02391	2.5
143.01913	29.6
145.03481	9.3
147.01366	3.0
147.03058	1.6
149.02965	1.8
155.01910	17.4
157.03458	7.0
158.99643	1.9
161.02969	26.5
167.01872	13.6
168.99828	5.8
169.03488	5.1
171.05031	2.1
173.01581	2.7
173.02966	25.0
175.04523	1.9
179.01918	4.2
185.01370	2.6
185.02974	42.8
185.04610	2.2
187.00879	3.6
187.04510	5.4
189.02502	2.0
191.03949	2.6
194.58519	1.5
196.99323	2.0
197.02982	14.6
199.00861	2.6
201.02443	3.2
203.04060	11.0
215.00337	6.5
215.04047	9.5
217.01944	2.4
219.03532	2.9
221.02966	3.5
221.05005	3.1
227.03972	12.5
228.05862	3.2
228.55988	1.9
229.01895	3.3
229.05817	1.6
231.03488	3.9
245.05092	100.0
247.02959	9.3
257.05096	8.1
259.02960	3.0
263.06113	13.9
271.03055	3.2
271.06390	1.5
275.02777	2.7
275.06149	17.1
289.04059	9.6
293.07239	3.1
299.02499	2.5
301.04037	1.9
303.05630	2.0
305.07175	14.1
307.04996	7.3
319.05057	4.6
319.69064	1.6
331.05252	9.3
335.08133	4.7
348.46262	1.5
349.06198	13.9
359.04337	3.0
361.06320	2.5
365.04355	3.0
365.09262	24.1
377.05493	3.5
391.07178	5.4
409.08035	1.7
469.10080	2.6
481.10147	1.6
495.95468	1.6
511.11261	9.8
539.10907	4.4
553.16711	1.7
571.12421	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	572.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01882	7.8
55.05270	2.6
55.05515	33.2
57.03439	12.8
57.07078	16.6
57.92278	1.6
59.04985	3.2
63.13369	1.4
66.96622	1.6
67.05506	21.5
69.03466	1.7
69.07069	34.0
70.33876	4.3
71.01343	3.9
71.04998	2.3
71.08624	8.9
79.05499	22.8
81.02989	2.3
81.03423	21.4
81.07066	22.7
83.01358	3.2
83.04995	15.4
83.08147	3.1
83.08620	34.7
85.02906	5.4
85.10171	4.2
91.05477	12.7
93.07047	26.0
95.04961	10.0
95.08614	11.0
97.02893	6.4
97.06532	6.8
97.10170	21.4
99.04459	2.5
99.13367	1.7
105.07027	7.9
107.04966	10.0
107.08588	15.4
109.06503	4.5
109.10143	9.6
111.04449	5.2
111.08067	3.2
111.11729	8.0
117.07031	9.1
119.08591	9.9
119.17565	1.7
121.06493	1.8
121.10131	13.1
121.71722	1.5
123.08075	3.9
123.11725	2.9
125.09632	2.1
129.07021	3.2
129.40117	1.9
131.08565	7.9
132.60762	1.6
133.10106	2.4
135.08078	2.5
135.11696	17.7
137.09645	3.3
143.08595	1.8
145.10130	16.2
147.08063	3.9
149.13234	1.7
153.12785	11.9
163.11205	30.3
173.09636	5.6
174.55334	1.6
181.12245	6.2
191.10674	10.8
209.11757	21.4
227.12833	12.8
235.12944	1.5
265.14407	10.1
283.15387	26.1
301.16461	66.6
311.25815	100.0
379.71027	2.0
501.35730	6.5
519.36798	33.1
537.37939	88.6
566.90906	2.2
572.47333	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	570.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.07081	6.3
58.06594	2.0
59.77965	0.6
61.29008	0.6
65.03927	0.9
67.05508	0.9
69.07065	0.8
69.16286	5.8
69.16692	1.5
70.06594	15.2
71.08630	1.9
79.05477	1.5
81.03423	0.7
81.07050	1.3
85.10231	0.8
88.07632	20.2
93.07049	0.6
93.59148	0.6
98.21494	1.1
102.09179	14.5
105.03394	13.7
105.07011	1.0
119.08569	0.9
149.02380	10.2
149.05988	56.0
181.06503	1.5
193.04973	8.6
205.28500	0.6
212.23778	0.8
256.26364	43.6
286.04544	0.7
297.07553	13.2
297.96643	0.7
341.10199	48.7
399.08658	0.7
413.96838	0.7
570.34241	100.0
571.34619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01869	1.2
55.05512	16.5
57.03439	11.7
57.07076	7.8
67.05505	9.7
67.17676	0.7
69.03416	1.0
69.07069	19.9
69.33140	5.6
71.04995	1.5
71.08641	5.3
79.05498	8.5
80.57658	0.6
81.03420	58.6
81.06601	0.8
81.07057	12.3
83.04970	2.9
83.08620	26.8
85.10175	2.0
89.06036	6.5
91.05479	11.8
93.07043	7.4
95.04976	15.7
95.08610	5.9
97.02874	1.7
97.06516	2.5
97.10173	12.3
105.07032	7.4
107.04953	3.1
107.08605	4.6
109.06517	2.5
109.10141	3.2
111.04435	1.1
111.08069	5.5
111.11730	3.5
115.05442	1.0
119.08592	10.2
121.06500	1.8
121.10163	5.0
123.11672	0.8
125.09618	1.3
129.07018	5.5
131.08598	5.7
133.06467	1.1
133.08632	4.2
133.10146	3.0
135.11673	2.1
137.09651	1.0
142.07794	1.7
143.12349	0.7
145.10115	1.6
147.08043	0.8
147.11678	3.7
149.09619	3.2
157.10152	5.9
159.11568	0.9
164.28603	0.7
165.12747	0.9
175.11148	5.3
177.11253	2.0
193.12254	19.9
196.67401	0.8
211.13292	1.5
222.57718	0.7
232.12636	0.7
249.14787	1.5
267.15921	100.0
299.14755	0.7
311.25803	62.3
318.92114	0.8
371.22742	3.7
429.33755	1.1
503.37354	41.6
504.01212	0.6
535.39398	1.0
542.03094	0.7
547.98285	0.8
550.68860	0.8
565.90948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.0
58.99838	1.1
68.49960	1.1
69.03410	1.3
70.22230	3.3
72.17683	0.9
82.99861	2.6
84.83967	1.0
91.37583	0.9
97.02898	1.2
98.21393	1.2
101.00882	12.3
113.00854	4.7
115.02416	1.9
119.01929	20.5
127.02417	2.9
129.00383	1.1
131.01900	7.4
133.03453	4.3
137.02921	2.1
139.02405	2.5
143.01909	28.4
145.03488	12.6
147.01416	1.8
155.01904	18.1
157.03481	8.5
158.99632	1.6
161.02969	22.4
163.04517	1.0
166.01421	1.1
167.01897	11.2
168.99802	3.5
169.03487	4.3
171.01273	1.6
171.04956	2.5
173.02965	24.3
175.04544	1.3
177.00815	1.2
179.01941	3.4
181.03517	1.1
183.01349	1.0
185.02969	43.6
187.00858	4.0
187.04536	3.6
189.02422	1.4
191.03981	3.0
196.99414	1.7
197.02948	13.6
199.00914	3.1
201.02495	2.4
203.03993	10.8
209.03029	1.7
213.02463	1.4
215.00490	8.9
215.03979	10.5
217.02016	1.8
219.03511	3.4
221.02977	1.9
221.05048	3.1
227.04005	10.0
228.05725	2.2
228.55774	1.4
229.01982	2.9
231.03513	4.1
233.05211	1.2
239.04050	1.1
241.01888	1.2
241.09381	1.1
245.05089	100.0
246.05145	2.0
247.02956	6.3
257.05084	6.3
259.03000	3.8
263.06128	11.5
271.02939	3.6
271.11523	1.0
275.02872	1.7
275.06100	13.2
289.03992	8.1
293.07120	2.9
299.02472	2.9
301.03998	2.8
303.05347	1.3
305.07135	11.5
307.05154	9.2
317.07104	1.4
319.05099	4.5
321.06845	1.2
331.05170	7.9
333.06522	1.9
335.08228	4.3
343.05502	1.2
349.06201	13.4
351.75339	1.0
359.04602	3.3
361.05786	1.5
365.04495	2.1
365.09326	18.7
377.05804	2.8
391.07196	5.7
399.61597	1.2
409.08295	1.2
469.10355	2.3
483.11783	1.4
511.11548	8.0
539.10742	3.7
571.12494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2333
Annotation	Aclacinomycin T
Peak:m/z	Relative Intensity
53.03939	0.7
55.01873	0.6
55.05515	25.8
57.03426	0.7
58.99587	12.2
61.01152	1.2
61.02919	1.6
69.03428	3.0
69.07070	0.7
70.02928	0.8
70.06604	4.7
71.04993	0.6
71.51491	0.4
73.01134	1.5
76.02234	5.4
76.04012	2.9
79.05462	0.8
80.05017	0.7
81.03423	3.1
81.07044	2.1
83.06108	1.4
83.08623	42.5
84.04510	10.6
84.08138	1.8
85.01137	0.8
85.02905	7.2
86.06054	0.8
86.09737	1.3
86.99053	12.1
88.02219	3.2
91.03965	0.5
91.05511	0.7
95.04974	0.6
96.04483	0.6
97.02899	3.9
98.06065	1.4
99.02660	0.8
99.04453	0.6
99.05563	1.6
101.09663	2.6
105.00065	1.0
107.08595	1.2
109.02872	1.2
114.03711	0.7
115.05810	0.8
116.01683	57.1
118.78767	0.5
119.08601	0.9
126.05517	1.2
127.03934	0.9
129.06589	4.1
129.07372	1.3
129.10236	0.7
130.05019	3.8
136.07518	0.6
141.07321	1.9
142.03235	5.0
144.01152	33.4
145.06081	1.6
148.38339	0.5
159.08406	40.7
162.02209	100.0
163.03966	0.5
163.07567	0.6
170.02689	1.5
176.11044	6.0
179.04797	1.0
186.02191	0.8
187.05283	0.5
187.07927	0.8
193.12225	1.3
199.05354	0.6
205.09021	0.8
208.06039	0.7
211.96182	0.5
226.14445	0.6
244.09972	0.9
245.05914	1.2
262.11099	45.3
267.15790	0.6
279.13748	64.2
285.16934	1.1
289.04913	1.3
315.13696	0.8
321.14490	0.7
322.61313	0.6
333.14804	9.9
338.16254	2.1
345.14676	0.7
390.16916	1.1
408.18002	52.3
409.18497	0.6
441.18906	2.6
450.18900	0.6
495.20154	0.6
552.28607	0.8
570.23126	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03931	3.3
55.05498	9.5
57.07061	9.5
58.23081	2.0
65.03928	3.7
67.05511	23.9
67.33437	2.2
69.07073	17.4
70.08242	2.7
71.08633	4.8
71.12861	5.0
71.13188	2.9
72.12155	2.3
76.75446	2.4
79.05495	28.5
80.06258	4.0
81.07059	39.3
83.04990	3.1
83.08621	6.5
85.06540	3.5
87.92294	2.3
88.07615	3.3
91.05481	42.6
93.07047	54.4
95.04976	38.8
95.08616	37.9
97.06559	2.3
97.10160	3.3
100.92464	2.6
103.05476	3.7
105.07034	80.4
106.07819	6.8
107.08601	50.5
108.09366	5.1
109.06516	5.6
109.10159	20.5
111.08102	3.0
115.05487	6.0
117.07030	29.7
119.08585	100.0
119.40492	2.4
120.09366	10.5
121.10139	34.3
123.08067	17.4
123.11685	7.9
125.09689	3.1
128.06219	8.4
129.07022	17.5
130.07784	9.0
131.08571	57.6
132.09328	10.3
133.10138	59.7
134.10880	8.0
135.08049	4.9
135.11702	21.0
137.09596	8.1
137.72530	2.6
138.10361	6.0
139.11150	2.6
141.06955	9.0
142.07773	21.0
143.07506	4.4
143.08568	50.6
144.09381	13.0
145.10127	88.7
146.10867	4.0
147.08061	3.0
147.11668	25.9
149.09619	6.3
149.13217	4.8
151.11177	3.7
153.06967	2.9
155.08534	14.3
156.09378	18.1
157.10136	52.3
158.10875	10.6
159.11688	43.7
160.12517	5.3
161.09660	6.0
161.13245	7.4
163.11198	5.1
163.14748	3.2
165.06999	4.5
167.08546	7.7
168.09366	5.6
169.10138	25.2
170.10953	8.1
171.11705	33.3
172.12453	10.9
173.13271	28.8
175.14804	24.6
177.12770	7.0
179.08539	8.3
180.09317	3.7
181.10156	14.7
182.10904	9.0
183.11691	28.2
184.12440	7.7
185.13232	26.7
186.14047	7.2
187.14777	12.8
189.12724	5.8
191.14349	14.1
192.09322	2.9
192.14975	3.5
193.10091	8.3
194.10919	5.5
195.11664	21.9
196.12512	7.4
197.13257	35.3
198.14003	7.3
199.14838	13.3
201.12732	4.4
201.16501	11.7
203.14333	4.7
206.11003	3.2
207.11638	13.3
208.12416	6.8
209.13249	31.8
210.14090	5.9
211.14816	19.8
212.15553	2.4
213.16364	5.9
217.15874	6.0
219.11693	4.0
221.13264	9.8
223.14848	14.8
224.15590	5.2
225.16388	8.2
226.17070	3.7
227.12791	4.4
233.13319	3.3
234.14093	3.1
235.14832	7.2
237.16299	8.2
239.18021	8.0
241.19519	3.6
243.17535	3.2
247.14882	4.5
249.16524	5.4
257.19196	4.7
259.20499	4.3
263.17908	4.9
265.19559	5.7
269.19031	3.0
271.20505	4.0
275.18140	3.6
283.15433	6.0
283.20630	3.4
284.29495	7.7
285.22198	3.4
297.22293	2.9
311.29462	6.7
323.23679	6.4
325.27350	5.6
337.25037	5.3
338.26074	57.9
351.27017	2.8
415.01633	2.4
415.30225	3.1
430.32260	20.4
458.35287	3.1
476.36584	27.7
533.38440	7.7
568.42804	54.8
568.56171	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	568.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01861	1.4
55.05503	2.8
56.05022	2.7
57.03433	3.1
58.06594	0.8
58.40197	0.8
60.08175	0.8
61.02931	11.6
67.05511	6.1
69.03435	9.5
69.07053	2.2
70.06601	5.8
71.04996	2.5
71.51344	1.2
73.02929	6.0
79.05492	6.6
81.03426	18.0
81.07063	8.7
82.06554	1.0
83.04971	4.4
83.08619	4.2
83.57478	0.8
84.04504	5.1
84.08119	3.0
85.02914	10.1
85.06505	0.8
86.06074	26.7
86.09696	1.8
87.04478	21.7
91.03963	6.1
91.05482	6.5
93.07052	7.4
94.06555	1.5
95.04974	6.5
95.08614	5.6
96.04512	0.9
96.08116	2.2
97.02900	9.7
97.06519	3.5
98.06064	18.4
98.09705	1.2
102.05537	2.8
104.06438	1.4
104.07114	24.1
105.07027	3.3
106.06557	0.9
107.04950	2.1
107.08581	2.7
109.06514	1.1
109.10162	1.7
111.04470	0.9
111.08076	2.7
112.07608	9.4
115.03939	0.8
119.08588	2.6
120.08054	1.4
121.06522	1.1
121.10152	5.1
122.05958	0.9
124.07564	3.8
126.05516	4.1
126.09117	0.8
127.03941	1.8
128.07043	1.2
129.07016	3.1
131.08582	4.1
133.06557	0.9
133.10153	1.9
136.06146	0.9
136.07582	1.8
137.09569	0.9
138.12766	2.0
140.07056	2.9
142.08641	3.2
147.11757	4.0
148.07571	2.2
149.09634	21.3
154.08665	1.0
157.10143	4.2
158.08160	5.0
165.12770	2.3
166.12311	1.8
175.11234	5.4
177.12775	1.4
182.15434	1.0
184.13310	3.7
193.12263	25.0
195.13792	1.4
206.15387	1.6
210.14893	7.9
211.13312	3.9
223.13177	1.0
224.16428	3.2
234.14992	1.5
250.17938	2.5
252.15996	9.3
260.16565	4.9
267.15930	12.6
268.19080	2.4
270.16910	1.2
278.17490	8.2
285.16995	25.2
296.18475	3.7
309.16928	1.9
314.19614	1.8
326.19760	1.1
344.20599	9.1
362.21753	16.3
370.22235	10.2
388.23315	59.5
506.25534	1.8
524.26935	2.5
532.27838	1.9
550.28619	100.0
568.31769	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	568.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01889	0.8
69.03448	1.1
70.06608	4.4
70.08424	3.1
72.08157	1.1
78.04716	1.2
79.05495	6.4
81.03423	68.4
81.07047	1.1
84.04497	0.7
84.08134	2.3
85.02900	2.0
86.09696	2.3
88.09277	0.7
91.05486	9.5
95.04976	1.8
97.02872	0.9
98.20810	0.9
103.05484	2.8
105.07053	4.7
106.04174	1.4
107.04962	67.2
109.02822	1.0
111.04494	0.7
115.05450	5.7
116.04939	0.9
116.06249	0.8
117.07008	7.1
118.04167	1.1
119.04952	5.6
119.08579	0.9
120.08112	2.2
121.02847	1.7
121.06546	1.8
123.04446	5.1
124.05204	3.4
127.05402	0.8
129.10226	0.9
130.04111	1.0
131.04910	2.8
133.06503	5.3
133.10124	0.8
136.07594	10.9
137.06009	1.8
144.04442	2.0
145.05396	1.4
145.06491	15.0
145.80530	0.8
146.06035	1.4
147.04439	1.4
147.08054	1.6
151.03931	1.4
152.04680	2.8
152.06096	0.9
153.05444	1.1
155.06071	4.0
156.05690	5.3
157.06422	2.0
160.05147	1.3
161.05956	2.9
162.05518	5.5
165.07010	1.1
167.07050	100.0
172.07454	0.8
173.04630	1.5
173.05994	12.7
174.06792	1.2
175.07524	4.0
176.04721	1.4
181.04935	4.3
181.06487	2.4
181.08661	0.8
184.07645	0.8
188.07002	1.1
190.06288	5.7
190.07843	1.1
191.07057	3.3
193.08606	1.4
195.08113	1.3
200.07166	1.2
201.05482	4.2
202.06247	1.9
202.08691	0.9
203.07022	1.7
205.08623	9.0
206.08185	3.8
213.09126	2.4
214.08601	1.0
217.08600	18.6
219.08160	2.0
220.09703	4.5
222.07549	1.3
229.04996	2.8
231.06540	3.7
233.07967	5.1
234.06923	1.2
235.09669	21.2
239.09399	0.8
241.08658	2.4
242.08069	1.5
247.07658	1.4
248.08849	1.0
249.09213	1.6
260.09149	1.9
261.07605	2.0
262.10760	2.0
263.06998	0.8
264.07889	1.8
270.07672	0.8
272.09143	2.4
273.11273	4.3
277.08530	1.7
279.10089	2.2
290.10239	16.7
291.10333	0.8
293.08139	0.8
297.11322	1.1
300.12289	8.5
302.10458	1.3
307.09634	3.3
309.11313	1.4
311.12714	0.7
315.08810	0.7
319.11847	2.1
321.07745	1.3
325.10187	0.7
330.10968	1.0
332.09189	1.3
334.10605	1.0
336.12317	1.1
337.10651	3.2
339.12393	1.2
352.11777	1.8
364.11850	6.9
366.13428	5.6
368.14749	3.6
369.13223	3.9
371.14938	2.1
378.13351	7.7
396.14447	27.7
397.12601	1.1
520.19427	2.3
532.19635	6.9
550.20819	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	567.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.4
55.05507	26.0
57.07069	9.1
62.04661	9.5
67.05514	46.1
69.07072	26.4
70.10210	21.4
70.10599	21.9
75.18619	8.6
76.34821	9.4
79.05507	35.9
81.07062	67.2
83.08620	12.1
89.06030	11.6
91.05489	56.5
93.07056	77.4
95.04971	13.5
95.08607	66.0
105.07043	77.7
107.04963	11.5
107.08598	95.2
109.06473	11.1
109.10155	37.7
117.07011	18.0
119.08590	88.1
121.10152	75.5
123.11690	32.6
129.07007	13.0
131.08565	27.0
133.10110	79.5
135.11710	100.0
143.08594	18.3
145.10106	56.3
147.11684	34.7
148.89955	8.7
156.09387	13.0
157.10104	48.2
159.11688	31.4
165.07039	11.6
169.10103	24.6
171.11711	12.0
173.13283	22.5
175.14845	58.1
183.11676	23.2
185.13220	12.4
185.18954	10.0
187.14854	26.0
197.13321	15.7
199.14819	10.1
201.16328	20.2
207.11703	14.4
209.13416	19.4
211.14909	12.8
221.13229	15.3
223.14806	20.5
228.64497	10.3
233.15404	26.5
237.02042	11.0
261.16556	15.2
264.47375	10.1
325.10880	12.0
357.64417	10.2
423.49036	11.0
465.33636	9.8
549.40723	34.1
567.27606	11.8
567.41437	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88776	0.7
53.03957	3.1
55.01867	0.6
71.26469	0.7
78.04710	2.6
79.05495	5.2
81.03424	62.9
85.02880	0.8
86.09679	0.7
91.05487	7.0
95.04960	1.0
103.05476	2.3
105.07047	4.0
106.04174	1.3
107.04964	53.9
109.00154	0.6
115.05464	5.4
117.07024	6.5
118.04193	0.9
118.06525	0.7
119.04954	5.0
121.02887	1.6
121.06524	2.0
123.04420	5.3
124.05206	3.2
125.06007	0.8
129.06998	1.0
130.04161	1.1
131.04927	2.7
133.06532	3.9
134.06064	1.3
136.07597	7.5
137.06000	1.4
140.18628	0.7
143.04933	0.9
144.04417	0.7
145.06500	11.9
146.06030	1.7
147.04393	0.9
147.08054	1.0
152.04692	1.1
153.05438	0.9
155.06044	3.0
156.05745	2.5
157.06541	1.2
160.05241	1.2
161.05936	3.4
162.05537	2.7
167.07056	100.0
173.04684	1.3
173.06009	10.4
174.06825	0.8
175.07613	3.6
176.04581	0.9
181.04958	3.2
181.06508	2.5
185.05978	0.8
185.09665	1.0
188.07057	1.0
190.06238	4.6
191.07043	3.4
193.08696	1.2
194.08148	1.1
195.08102	1.0
196.09714	0.8
201.05504	2.3
202.06218	1.1
204.06769	0.8
205.08591	8.1
206.08116	3.0
207.10027	0.8
208.06018	1.0
213.09084	1.8
217.08620	8.4
220.09654	2.5
222.07530	0.9
229.04875	1.2
230.08090	1.7
231.06540	3.6
233.08109	4.5
235.07773	0.8
235.09668	20.6
239.09557	1.1
241.08621	2.5
249.09232	1.3
259.08325	0.9
260.09131	1.3
261.07632	1.6
262.10822	1.6
265.08618	0.7
272.09305	1.5
273.11240	3.8
277.08746	0.9
279.10202	1.0
290.10199	17.3
291.10107	0.8
297.11288	0.8
300.12341	7.2
304.09869	1.1
304.72705	0.6
307.09537	1.2
319.11920	1.0
323.12793	0.8
328.11871	0.8
336.12378	1.5
336.76770	0.7
337.10599	1.2
343.11456	0.6
346.11005	0.7
351.11954	1.1
364.11871	6.2
366.13379	4.9
368.14911	2.4
369.13605	1.2
371.14957	1.5
378.13391	6.2
396.14423	26.6
415.13504	0.8
520.19781	2.5
532.19781	6.1
550.20691	6.9
556.73364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84021	2.4
53.03944	5.2
55.05516	14.5
57.03439	5.7
67.05510	33.5
69.03437	14.3
69.07061	11.9
71.04998	4.3
76.18687	2.4
79.05501	23.5
81.03421	23.7
81.03841	4.2
81.07059	48.8
83.04963	5.5
83.08621	7.8
84.08115	2.6
85.02902	19.2
87.00832	7.4
91.05477	19.0
93.07046	39.9
95.04962	10.8
95.07997	4.2
95.08610	56.9
95.36067	2.5
97.02894	7.4
97.06538	4.4
97.10175	2.9
99.04450	6.8
105.01865	6.3
105.07046	27.2
107.04982	3.4
107.08595	34.7
109.02882	11.8
109.06502	5.3
109.10161	51.0
111.04438	11.2
113.28209	2.7
117.07031	7.4
119.08574	13.4
121.06474	7.0
121.10163	29.8
123.11694	20.3
125.05987	6.4
125.09608	4.7
127.03921	12.4
129.07008	3.4
131.08537	8.0
133.10143	19.8
135.04474	3.9
135.11722	23.3
137.05960	4.2
137.09608	3.4
139.07539	12.4
141.07024	3.7
145.10110	13.3
147.08101	3.6
147.11743	5.4
149.09532	3.8
149.13252	13.6
153.09105	21.1
153.12712	7.5
155.08446	2.9
157.10150	5.8
159.08066	4.5
159.11720	9.3
161.09663	3.9
163.11137	5.3
163.14915	3.6
165.09090	3.9
167.10664	6.3
171.11674	3.9
173.09669	3.9
173.13219	5.1
179.10651	9.1
187.11143	5.6
189.12839	3.4
191.10667	17.5
193.12224	9.0
201.12807	4.4
205.12262	25.2
207.13777	6.5
219.13919	14.8
231.13782	4.2
233.15401	6.4
261.18454	6.4
266.25504	3.9
271.20715	3.3
289.21609	48.1
299.19934	4.3
301.21631	100.0
301.25098	6.0
317.20956	2.9
319.22708	60.1
353.74585	2.8
390.55530	3.4
397.23917	3.0
409.23471	5.6
432.24722	21.1
450.25641	8.0
513.24664	4.6
531.26263	4.8
549.27295	3.5
567.29797	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	567.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.8
55.05506	13.0
56.20901	3.3
57.03423	3.7
57.07074	3.5
60.20076	3.1
66.88266	3.9
67.05512	26.7
69.03425	11.2
69.07057	15.0
69.35811	27.7
71.04998	4.6
79.05479	23.2
80.13704	4.1
81.03418	21.0
81.07061	55.2
83.04980	5.1
85.02899	15.2
87.00835	10.6
91.05483	27.0
93.07045	45.5
95.04946	11.7
95.08604	56.8
97.02865	11.0
97.06548	4.8
99.04446	4.8
105.01891	4.1
105.07030	18.9
107.08591	36.2
109.02866	3.7
109.06540	8.4
109.10158	53.5
111.04436	10.3
111.08065	4.4
117.07021	7.9
119.08605	17.5
121.06475	6.2
121.10143	34.9
123.04480	3.4
123.08053	4.3
123.11703	22.4
125.05994	8.1
125.09653	3.8
127.03902	14.3
131.08574	10.6
133.10118	15.5
133.17853	3.5
135.11667	22.1
137.13210	3.8
139.07544	15.2
143.08597	6.5
145.10136	14.9
147.11713	6.9
149.06015	3.6
149.13271	17.6
153.09145	17.8
153.12762	7.5
159.11754	8.5
163.14885	4.4
167.10678	5.1
169.10106	4.8
171.08141	3.7
171.11646	4.1
173.13211	4.6
175.59496	3.4
179.10641	8.1
191.10622	18.4
193.12236	7.2
205.12228	32.5
207.13808	5.7
219.13773	14.0
231.13953	3.9
233.15541	4.9
245.15298	4.3
261.18555	7.2
266.25665	3.9
289.21637	38.2
299.20163	6.3
301.18323	7.1
301.21640	100.0
319.22644	52.4
329.21210	5.6
340.19910	3.7
358.20792	3.7
409.23871	4.2
432.24789	21.2
450.25635	10.1
488.02881	3.5
513.24652	5.7
531.25787	4.0
567.28131	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23934	0.6
54.65580	0.7
55.01860	0.9
56.05040	30.6
57.03436	1.1
59.92331	0.7
60.53349	0.7
61.01155	25.3
66.85108	0.8
67.05509	2.2
67.37782	0.7
69.03431	1.9
69.07068	2.4
69.41171	2.8
69.41599	3.2
70.02961	12.1
70.06579	1.2
71.04987	0.9
73.02914	0.7
73.35926	0.7
74.06074	0.9
74.42978	0.8
79.05482	2.3
81.03417	3.3
81.07047	2.8
83.04974	0.7
83.08611	1.4
85.02901	1.7
86.09708	10.3
87.05597	90.4
87.69170	0.7
88.03956	1.9
91.05486	6.3
93.07053	2.7
95.04977	1.8
95.08601	2.3
96.08884	0.7
97.02895	1.6
97.06565	1.0
98.02433	0.8
98.06068	18.8
98.21484	1.6
103.05496	5.6
104.05338	68.0
105.07054	1.3
107.04944	1.2
107.08572	1.2
109.06530	2.2
109.10149	1.0
111.08057	0.8
115.03961	1.1
117.03365	1.0
119.08603	1.8
120.08113	100.0
121.06507	1.2
121.10150	1.1
125.09673	1.1
127.03999	1.0
129.07010	1.8
130.06544	10.7
131.08577	0.8
132.10176	2.1
144.08121	1.2
145.02864	0.9
145.10159	0.8
146.06354	48.3
157.06496	1.3
158.06012	1.1
159.37064	0.7
172.07564	6.8
173.07428	1.7
174.05855	45.8
175.08696	6.9
175.11057	1.1
177.05450	1.4
182.06020	1.3
184.07376	1.3
189.10281	3.6
193.86987	0.8
199.08566	1.0
200.07123	5.1
207.06561	0.8
217.09706	7.5
219.13750	1.0
234.10088	1.7
234.12386	29.1
234.14732	1.5
245.09302	3.9
259.15433	1.2
262.11893	17.8
267.15921	0.8
270.09082	1.0
271.14529	1.3
276.17938	0.7
279.17047	17.7
288.10141	78.4
293.17560	1.4
301.07077	2.6
302.07358	4.1
309.71976	0.8
330.18015	5.4
358.17563	1.0
367.21964	0.9
372.14206	2.2
375.20245	1.9
376.18732	4.9
385.23834	1.5
390.14874	5.2
393.21313	2.8
407.17502	11.9
435.16992	8.3
459.27335	4.6
477.28766	3.7
495.29636	0.9
503.23160	3.2
548.25684	2.1
566.28918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01872	6.2
55.05515	27.3
57.03427	10.3
57.07069	6.4
59.05001	8.7
67.05508	34.9
69.03420	3.4
69.07073	70.1
69.82396	5.2
69.82815	7.3
70.06524	2.3
71.04987	6.5
73.29675	2.0
79.05501	33.1
80.42651	2.1
81.03423	64.4
81.07065	68.8
83.05014	2.5
83.08620	36.6
85.02925	5.2
85.06526	4.3
85.89181	2.1
86.09701	3.4
87.00842	2.2
91.05491	27.8
93.07041	34.5
95.04983	18.0
95.08614	79.7
97.02884	4.2
97.06557	11.7
97.10181	26.2
98.20764	4.7
98.29323	2.0
105.01859	4.7
105.07028	10.4
107.04945	19.5
107.08607	21.6
109.02892	2.2
109.06522	10.3
109.09472	4.5
109.10164	50.2
110.10489	2.7
111.08076	6.1
111.11731	15.4
113.09625	4.4
117.07018	6.8
119.08591	21.0
120.08207	2.3
121.06523	11.4
121.10159	22.4
123.04507	2.9
123.11727	25.1
125.09601	7.6
125.13251	6.1
126.34373	2.2
127.03924	4.1
128.06335	3.0
129.07010	9.6
131.04855	3.0
131.08591	9.7
133.06448	4.6
133.10114	3.3
135.08102	4.0
135.11699	19.7
137.09627	9.9
137.13258	29.4
139.11246	3.2
141.07048	2.9
143.07053	7.6
143.08426	2.8
145.06445	4.8
145.10158	5.0
147.04379	2.6
147.08032	9.3
147.11693	5.5
149.09610	7.4
149.13268	10.7
151.14795	11.6
157.10143	3.9
159.11728	2.3
161.09569	3.4
163.07503	2.3
163.11240	5.7
163.14850	8.8
165.09100	6.5
165.16400	8.6
167.08635	3.1
171.11710	3.0
172.94176	2.5
173.09618	4.1
173.13159	2.8
175.11119	3.4
177.16391	9.2
183.17381	2.6
184.07335	2.7
185.09518	2.6
187.11238	4.1
189.09207	3.3
189.11238	3.6
189.87283	2.2
191.10826	4.6
191.17953	12.7
193.12296	8.4
199.11261	3.3
207.21036	2.5
225.22168	8.8
239.12724	14.8
247.24208	45.7
265.25253	50.9
267.15924	13.9
273.14658	3.4
283.26340	28.4
311.19995	2.4
321.18558	5.9
329.21155	6.1
335.15991	2.5
339.19553	18.1
357.20731	13.8
375.21729	5.4
413.23093	7.0
431.24335	100.0
449.25372	65.1
463.26776	12.2
477.27850	2.5
481.27774	5.9
566.29834	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.6
56.79857	4.2
57.07067	13.3
67.05508	41.6
67.51492	4.6
69.07060	22.5
71.08637	5.5
71.53419	6.3
77.16868	4.5
77.69867	4.4
79.05496	15.6
81.07059	47.3
83.08611	14.3
91.05502	40.2
93.07040	47.1
95.04980	5.3
95.08607	56.2
105.07032	69.6
107.08577	42.5
109.06506	7.5
109.10159	46.5
115.05439	5.5
117.07026	16.3
119.08587	100.0
121.10167	76.5
123.08058	6.6
123.11717	13.7
128.06229	8.3
129.07025	10.5
130.07780	11.3
131.01012	6.7
131.08566	37.8
133.06496	8.9
133.10156	42.4
135.11703	21.6
141.07007	6.6
142.07805	14.3
143.08578	28.6
145.10126	86.1
147.11647	24.8
149.09624	8.1
155.08551	19.3
156.09357	9.4
157.10143	47.0
158.10870	5.2
159.08092	13.6
159.11751	23.6
161.09654	6.4
163.11101	6.4
165.07059	8.2
167.08566	8.0
167.10713	27.8
168.09448	8.3
169.10201	24.1
170.10956	8.2
171.11700	23.3
173.11980	5.3
173.13287	25.4
175.14877	24.5
179.08588	10.0
181.10178	14.0
182.10924	8.5
183.11699	23.1
185.13298	13.9
189.12662	6.8
193.10118	13.8
194.10870	7.5
195.11682	12.7
196.12492	6.1
197.13286	28.2
199.11215	6.5
199.14743	7.9
201.16394	6.9
206.10774	6.7
207.11697	8.5
209.13200	24.7
211.14897	8.9
213.16367	5.2
215.14429	7.4
219.11682	5.7
221.13235	10.8
221.15358	7.1
223.11073	4.7
223.14832	20.4
225.16483	8.1
227.12772	7.1
233.13274	8.5
233.15398	65.1
233.17587	7.9
235.14842	7.6
237.12857	5.4
237.16281	6.5
239.18028	7.2
247.16978	5.1
251.18022	7.6
261.16357	5.8
267.21176	7.4
273.18588	14.6
280.39694	4.5
289.19681	7.1
297.18356	7.6
299.20090	24.8
311.20175	11.1
315.21170	5.5
339.28897	8.0
345.25708	17.7
349.25204	5.9
351.23154	6.2
367.06238	5.0
443.29254	11.6
453.35428	7.1
467.37415	17.4
473.34073	6.4
544.67743	5.3
547.39465	9.3
565.40363	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.05517	16.5
57.03437	2.6
57.07073	6.2
58.71071	1.9
59.05006	2.3
65.03935	4.9
67.05178	3.1
67.05510	36.3
69.07076	22.3
69.23904	4.8
69.24314	16.9
71.04977	2.5
79.05496	29.8
81.07059	45.8
82.07417	3.7
83.08606	11.0
85.06535	3.9
91.05484	31.4
93.07047	42.5
94.07384	2.4
95.04963	7.1
95.08004	2.5
95.08611	48.7
97.06534	3.9
99.86520	2.0
103.05507	4.8
105.04570	2.8
105.07040	67.6
105.53414	2.1
107.08598	53.3
109.06532	5.3
109.10162	55.9
111.08100	2.8
115.05470	6.5
117.07014	18.4
118.86172	2.0
119.08591	100.0
121.06516	3.1
121.10146	66.4
122.10500	2.4
123.08108	5.4
123.11700	18.7
128.06215	8.7
129.07001	14.4
130.07777	7.2
131.08572	35.8
131.82150	2.2
133.10150	47.2
134.10466	2.7
135.08029	5.7
135.11708	38.9
141.07001	7.1
142.07793	18.5
143.08583	30.5
144.09309	6.6
145.10135	52.0
147.08043	4.5
147.11674	27.7
149.09636	5.8
149.13280	8.4
153.07045	2.4
155.08597	15.0
156.09377	13.1
157.08836	2.7
157.10135	53.5
158.10927	5.1
159.08066	4.1
159.11690	30.5
161.09665	5.2
161.13280	12.6
165.07011	6.2
166.07835	2.4
167.08597	12.1
167.10712	8.8
168.09366	4.4
169.10129	29.2
170.10919	4.8
171.11703	29.1
173.09639	7.4
173.13286	20.8
175.11226	4.7
175.14842	42.5
177.12735	3.9
178.07877	2.4
179.08620	5.3
180.09335	6.9
181.10138	15.8
182.10948	8.9
183.11710	28.0
184.12434	3.0
185.09627	3.2
185.13268	12.4
187.11140	3.1
187.14833	12.5
189.12790	6.3
189.16371	4.9
191.08592	2.4
192.09381	3.6
193.10141	11.6
194.10941	8.7
195.11726	21.1
196.12480	7.4
197.13281	30.3
198.13988	3.9
199.11269	9.3
199.14853	9.2
201.12798	4.8
201.16414	10.0
205.10110	4.0
206.10899	5.7
207.11771	16.2
208.12460	5.7
209.13292	16.7
210.13934	2.8
211.11182	3.8
211.14847	11.6
213.12779	4.3
213.16473	9.6
215.14351	6.1
218.10960	2.2
219.11786	5.3
220.12439	3.7
221.13322	13.2
221.15147	2.2
223.11316	2.8
223.14824	15.6
224.15688	2.5
225.12811	7.5
225.16418	3.2
230.10942	2.6
231.11531	3.2
232.12639	3.0
233.13286	7.1
233.15372	5.2
234.14009	3.7
235.11226	2.4
235.14832	8.2
237.12613	3.0
237.16408	7.9
239.14404	2.6
239.17976	7.5
241.15833	3.9
245.13342	6.6
246.13924	3.0
247.14915	9.6
249.16411	5.6
251.14322	5.0
251.18034	3.7
253.19624	5.0
255.17389	3.4
259.14676	3.0
260.15353	2.4
261.16449	5.6
263.14337	3.5
263.17889	4.3
269.17542	7.4
270.17813	6.2
271.14902	2.3
273.18597	39.8
275.18060	3.1
279.21152	12.9
282.28140	3.5
289.16129	4.7
289.19562	5.8
291.17767	2.4
291.21225	4.2
299.20099	55.4
299.23355	4.0
300.20398	2.7
301.19699	2.3
303.17633	2.3
313.21701	3.3
319.24115	4.6
321.21759	2.3
335.26074	3.5
336.26163	6.2
340.05414	2.2
343.24414	4.8
345.25818	2.5
351.23032	6.2
352.24106	2.6
363.23328	5.5
375.22980	4.1
377.24924	2.9
443.29504	6.3
444.30106	2.7
467.37213	4.1
469.08163	2.1
473.34140	9.4
485.34222	2.6
498.21396	2.1
514.64954	2.1
530.39337	15.0
547.38989	7.4
565.40430	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68021	0.5
69.91341	1.5
74.02452	0.9
91.05488	0.7
115.05434	1.0
117.05766	1.0
117.07014	1.4
118.06546	19.9
130.06528	1.7
132.08081	6.1
142.06482	2.5
143.07300	1.8
144.04518	0.5
144.07080	0.4
144.08087	11.7
146.06010	61.0
159.09190	5.7
161.05426	0.6
170.05997	4.1
188.07069	100.0
189.07454	1.0
205.09727	46.0
211.32849	0.5
540.88391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.05525	15.8
57.07088	11.3
67.05508	34.3
69.03445	3.4
69.07076	23.1
70.82813	4.8
71.08620	2.5
79.05501	21.8
81.07063	43.2
83.04987	3.0
83.08646	9.2
83.09061	2.1
85.06547	2.6
86.06180	1.7
91.05489	45.1
93.07054	59.3
95.04981	5.5
95.08615	43.6
97.06513	3.2
97.10201	2.2
103.05495	3.2
105.04544	2.3
105.07039	80.2
107.08609	52.1
109.06517	7.0
109.10171	50.0
109.10870	2.2
111.11726	2.5
115.05469	5.3
116.06239	3.0
117.07018	13.0
119.08593	100.0
121.06486	3.5
121.10155	77.9
122.87881	2.2
123.08085	5.8
123.11719	14.6
128.06224	11.4
129.07043	13.0
130.07837	5.5
131.08586	39.3
133.06525	6.2
133.07555	2.3
133.10139	46.2
135.08070	5.2
135.11696	30.9
137.09619	2.3
141.07050	7.6
142.07764	17.5
143.08575	37.4
144.09370	4.2
145.06461	2.5
145.10136	87.5
147.08052	5.3
147.11700	18.9
149.09665	8.0
149.13286	5.3
153.06924	2.7
155.08572	17.5
156.09401	13.5
157.10153	54.7
159.08086	12.4
159.11708	23.3
161.09671	5.5
161.13269	12.1
163.11159	3.4
165.07007	7.2
166.07811	3.9
167.08583	8.5
167.10674	24.6
168.09442	6.5
169.10141	34.4
170.10876	6.8
171.08047	3.8
171.11710	25.2
172.12431	3.2
173.09650	10.8
173.11812	4.4
173.13237	26.7
175.11211	4.5
175.14838	27.2
179.08565	10.8
180.09351	6.2
181.10127	16.9
182.10887	14.7
183.08018	2.7
183.11705	21.7
184.12544	2.0
185.09636	5.1
185.13245	14.7
187.11249	4.4
187.14848	18.0
189.12743	7.8
189.16399	3.9
191.14240	2.8
192.09355	3.1
193.10152	10.5
194.10945	9.3
195.11696	21.3
196.12440	3.3
197.09634	3.5
197.13266	32.7
199.11279	8.7
199.14882	6.5
200.11995	2.9
201.12758	3.5
201.16350	4.1
206.10951	5.5
207.11758	13.3
207.13634	3.1
208.12514	6.9
209.13271	22.2
211.11304	2.6
211.14774	10.8
213.12782	4.0
213.16406	5.9
215.14369	6.7
219.11722	4.1
220.12459	2.2
221.13235	12.4
222.13991	5.4
223.11380	4.1
223.14848	25.1
225.12807	5.8
225.16440	3.8
231.11720	4.1
233.13283	4.6
233.15376	51.3
235.14912	5.5
237.12805	4.8
237.16431	7.3
239.14334	2.6
239.18076	5.5
241.16025	2.5
245.13261	5.1
247.14832	6.7
247.17082	3.3
249.16441	4.7
251.18143	4.4
253.15863	3.3
253.19749	3.0
257.13358	2.6
259.14758	2.9
260.15536	2.1
261.16397	4.4
263.17966	4.2
267.21091	4.8
273.16797	1.8
273.18674	15.7
275.17920	5.5
277.19373	2.3
279.21112	4.8
281.19147	4.8
289.19653	4.2
291.21320	2.5
297.18643	2.8
299.20139	28.1
303.17676	2.8
309.16980	3.0
310.30927	3.2
311.20068	7.1
315.20969	2.1
325.21677	6.5
331.24133	3.0
342.19476	2.2
345.25888	19.5
351.23184	4.4
363.23398	4.2
365.24802	2.3
375.23206	3.4
389.24847	2.7
396.86661	2.3
405.27911	3.5
417.27863	2.7
425.28677	2.1
443.29428	19.3
453.36081	3.8
467.37262	9.1
473.34436	4.7
485.34308	2.9
509.34338	5.7
547.39557	2.2
565.40472	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72147	0.5
50.95794	0.4
60.98937	0.4
69.15672	4.0
78.19528	0.5
94.92986	0.6
111.84382	0.5
114.93078	0.5
153.31279	0.4
222.94086	100.0
240.94260	6.6
258.92914	0.5
258.95221	2.2
278.23737	0.4
282.95300	2.9
300.96378	1.2
312.96451	1.5
342.97510	1.5
381.07877	0.8
384.98639	1.3
402.99579	1.7
565.04633	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	565.1194
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02380	0.2
53.03947	1.8
55.01878	1.5
57.03441	0.9
58.75464	0.1
60.35807	0.1
61.02934	0.8
65.95383	0.1
66.18189	0.1
68.99791	0.8
69.03433	5.9
69.67487	0.8
71.04996	0.7
73.02930	1.3
81.03422	6.9
85.02911	8.6
87.00315	0.2
87.00837	4.4
91.03965	0.2
93.03390	0.3
95.04968	0.4
97.02901	3.1
97.06577	0.2
99.04461	2.1
101.02382	0.2
105.01872	2.0
109.02888	5.5
115.03941	0.2
117.01861	1.0
121.02891	0.9
123.04451	0.9
124.01586	0.3
125.02342	0.6
126.46615	0.1
127.03922	6.6
129.01843	0.6
135.04408	0.2
137.02344	2.3
137.03328	0.3
137.59486	0.1
140.04718	0.2
141.05522	0.2
145.02933	0.2
145.04964	1.8
147.02908	0.6
149.02350	0.4
151.03915	0.7
155.04938	0.2
159.02910	3.1
163.03922	0.6
167.03406	3.2
177.05423	0.2
179.03351	1.5
180.04239	0.2
183.04494	0.2
187.07480	0.3
191.13629	0.2
197.04439	0.6
197.06097	0.2
200.04709	0.2
209.04352	0.2
213.03940	0.3
215.06982	1.3
219.03024	0.2
228.04263	0.3
231.05035	0.7
233.08191	0.4
240.29807	0.2
243.06532	3.7
256.03671	0.3
257.04297	0.2
261.07651	0.5
271.06064	1.6
273.03967	0.3
274.04755	3.0
288.06308	0.7
299.05405	0.7
302.04239	2.4
317.06570	100.0
318.06900	0.8
359.07693	0.2
425.33813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01868	10.8
55.05515	20.5
57.03428	9.7
57.07065	3.3
61.02909	6.6
65.03934	2.6
67.05188	3.6
67.05507	54.2
69.03419	12.2
69.07075	33.0
69.79555	9.4
70.06577	3.9
71.04985	5.4
73.02926	3.3
79.05073	4.1
79.05496	49.9
81.03426	14.9
81.06598	4.0
81.07057	76.6
83.04990	12.6
83.08630	16.0
85.02910	12.3
85.06532	2.7
91.05494	35.3
93.07050	43.7
95.04948	7.7
95.08610	27.6
97.02878	5.8
97.06538	18.8
97.10172	11.6
99.04387	2.4
105.07027	31.8
107.04939	7.7
107.08598	43.7
109.02849	3.9
109.06516	13.4
109.10162	13.7
111.08054	4.7
114.00127	2.7
117.06987	15.1
119.08586	27.6
121.06539	4.4
121.10144	15.0
123.08051	5.5
123.11718	3.8
125.09630	11.6
127.03880	5.2
129.06989	4.2
131.08548	18.8
133.10138	27.8
135.08034	7.5
135.11696	14.4
141.06993	2.7
143.08539	5.2
145.10149	20.7
147.08044	2.7
147.11705	13.4
149.09633	16.3
149.13303	16.6
151.11198	4.8
155.08699	2.3
157.10143	4.6
159.11703	20.2
161.13261	5.1
163.11150	11.3
165.12787	3.6
171.10184	3.3
171.11624	4.6
172.43011	2.6
173.13263	9.3
175.11208	3.0
177.12770	14.5
179.14238	6.3
187.11243	3.5
189.11264	4.6
193.12119	2.9
195.13799	3.1
197.13344	3.5
227.12796	12.1
229.14339	3.9
229.19440	4.6
239.17921	9.6
245.13814	2.3
247.20515	3.1
255.15918	20.9
257.19070	14.7
267.15930	2.7
269.14883	4.1
269.17487	44.8
275.20090	57.0
293.20972	3.9
349.23730	100.0
355.15149	3.0
367.24835	56.8
529.30396	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
55.01862	9.3
55.05511	27.0
57.03436	18.3
59.04972	2.8
61.02924	4.7
62.06083	4.0
62.65215	2.3
63.34823	2.4
67.05508	74.0
69.03419	10.5
69.07074	35.1
70.06584	4.4
70.89405	2.3
71.04993	4.1
71.52837	3.2
73.02910	2.7
78.17947	2.2
79.05501	62.3
81.03429	17.5
81.06596	5.2
81.07059	93.5
83.04993	15.1
83.08633	15.3
85.02917	12.4
85.06583	5.8
91.05480	50.1
93.07052	65.2
95.04983	11.8
95.08608	60.3
97.02890	11.4
97.06533	22.7
97.10191	14.3
99.08102	7.3
105.07037	31.5
107.04950	10.0
107.08606	50.7
109.02906	5.2
109.06525	9.0
109.10151	34.2
111.08067	6.1
111.11703	3.0
113.09675	5.5
117.07021	15.9
119.08605	20.0
121.06514	7.3
121.10138	24.9
123.08103	3.8
123.11714	21.8
125.09637	8.5
127.03927	4.9
128.06238	3.4
129.07013	5.9
130.07722	2.9
131.08578	20.9
133.10144	25.0
134.00879	2.3
135.11703	29.6
137.09616	5.9
137.13229	11.9
139.11067	3.5
143.08562	5.7
145.06529	2.5
145.10132	18.0
147.11699	14.5
149.09634	14.0
149.13260	24.2
151.11176	3.8
157.10149	7.0
159.11693	33.4
161.13266	8.4
163.11191	9.6
165.12698	3.4
171.10315	4.2
171.11624	4.5
173.09666	3.2
173.13254	7.7
175.11224	3.0
177.12762	23.2
179.14339	10.5
181.12270	5.2
183.11595	3.6
189.11238	3.4
195.13802	10.5
205.19493	4.9
223.20595	7.3
227.12692	8.1
229.14343	5.3
233.32877	3.0
239.17967	7.4
245.22748	5.8
247.20476	3.4
251.16293	4.1
255.15910	50.5
257.18982	10.7
263.23721	23.1
267.15778	3.7
269.17496	100.0
275.20074	35.9
281.24759	22.2
285.16666	3.0
340.78799	2.5
349.23761	83.0
367.24701	25.0
389.18069	4.5
413.21841	4.2
428.48309	2.3
511.28815	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91174	1.3
55.01867	3.6
59.35061	1.4
61.02906	3.9
65.03938	1.8
67.05496	2.7
69.03430	7.5
69.03729	1.3
70.58353	3.0
72.08160	1.6
73.02923	1.9
74.38530	1.3
77.36550	1.5
81.03394	4.2
83.01353	1.9
83.04974	4.8
85.02909	16.9
91.05479	1.6
93.03425	2.3
95.04934	1.6
97.02888	5.8
103.05459	5.7
105.07033	2.6
109.02866	1.4
110.97467	1.5
111.00805	3.5
111.04443	5.1
115.05415	1.5
118.04142	1.5
119.04933	2.1
123.04408	2.2
127.03925	2.0
129.07001	1.6
131.04947	14.2
133.06493	4.3
137.90163	1.5
139.02946	2.5
139.03914	30.8
141.06998	3.0
145.06454	2.5
146.06027	2.4
147.04358	3.2
149.05920	2.1
154.06187	2.4
155.07094	6.5
157.02870	2.5
157.06508	5.6
159.04428	2.3
161.06004	9.1
163.04036	1.7
167.07034	14.6
169.05136	1.4
169.06487	6.1
173.06036	4.0
175.03922	3.9
175.07472	1.6
176.04652	3.6
177.05464	4.8
180.07864	6.8
182.09358	5.9
183.02934	1.5
183.04434	1.8
183.06631	1.7
183.08098	1.5
184.05225	1.5
185.05994	4.1
186.06828	2.5
187.03932	14.0
187.07556	4.9
189.01817	1.8
189.05440	8.7
190.06306	2.6
191.07024	23.2
192.07835	2.0
193.08624	7.0
197.05992	8.4
200.04686	2.1
201.03931	5.4
201.05562	2.2
201.09113	3.2
203.03424	1.9
203.07040	3.9
204.04198	14.4
205.08623	3.9
206.05824	1.8
207.06522	4.9
210.08928	7.1
211.07465	1.7
213.05481	2.5
214.06148	3.9
214.64133	1.4
215.07018	10.0
217.04980	6.9
217.08522	3.2
218.05740	2.8
219.04449	1.9
219.06557	28.8
221.08020	3.0
225.05437	1.3
229.08582	7.0
230.05685	1.9
231.02811	3.1
231.04863	23.4
232.07378	1.8
233.08014	3.8
234.05197	2.0
235.06107	3.6
241.05019	1.9
242.05830	3.4
243.06529	6.8
245.04536	7.2
245.08089	11.3
247.05972	1.4
247.09732	10.0
249.07579	5.7
257.08157	12.5
260.06821	17.4
261.07611	1.9
262.04834	7.0
263.05460	2.5
263.08899	1.7
273.07620	8.2
275.09158	92.0
277.07062	15.6
287.05460	7.3
293.10196	3.3
301.07040	7.3
303.08762	3.3
319.08102	31.9
323.11264	1.7
337.09189	100.0
349.09006	2.5
355.10345	6.6
367.10086	5.5
369.11801	3.0
385.11407	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01878	4.0
55.05524	10.8
57.03448	13.3
57.11443	1.5
67.05511	22.0
67.15857	1.6
67.45964	1.5
69.03421	2.9
69.07058	5.4
71.04988	3.5
79.05495	19.1
81.03426	79.7
81.07062	20.8
82.86228	1.7
83.04996	10.4
83.08623	18.6
85.02937	11.4
91.05492	26.9
93.07043	13.7
95.04979	24.8
95.08607	11.6
96.01159	1.7
97.02889	3.5
97.06548	3.6
97.10165	5.9
98.20770	4.4
105.07039	21.1
107.04955	5.9
107.08601	11.0
107.91754	1.7
109.06541	5.3
109.10143	5.6
111.04449	3.8
111.08069	8.4
113.06033	1.8
115.05446	2.8
119.08580	17.3
121.06505	5.3
121.10159	11.1
123.08066	4.5
125.09634	3.8
128.06175	1.9
129.07025	9.1
131.08560	14.3
133.06490	4.8
133.10101	6.9
135.08046	1.8
135.11729	1.7
137.09636	1.9
142.07771	3.1
145.06512	2.3
145.10152	3.8
147.08040	5.3
147.11682	10.5
149.09590	7.0
153.09077	1.8
157.10172	11.7
164.11238	2.0
175.11229	10.3
177.12910	1.8
189.11194	2.0
193.12259	32.0
195.11600	1.7
205.64777	1.6
211.13316	18.7
267.15930	100.0
273.14957	3.2
283.15051	1.9
285.17010	19.7
313.42905	1.6
349.21436	2.0
365.22794	2.0
367.22726	9.8
385.23782	11.8
405.24326	2.7
433.25992	8.9
441.26456	5.8
459.21252	3.3
459.27451	54.7
477.22296	2.6
477.28546	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03934	0.2
55.05503	0.4
57.03431	0.3
69.03439	1.5
69.07065	0.2
70.06591	1.7
71.51754	0.3
71.65865	0.2
72.08170	0.4
73.02904	0.2
73.41830	0.2
78.03447	2.0
79.05518	0.3
80.05012	0.4
81.03433	0.3
82.05238	0.2
83.04987	0.5
84.08143	0.6
85.02911	0.8
86.09718	0.7
87.04484	0.3
91.05456	1.0
96.04504	0.5
97.02896	100.0
97.44356	0.2
97.82623	0.2
98.03189	0.3
100.39510	0.2
106.02921	7.7
106.03637	0.4
119.04962	1.5
120.08118	0.6
121.06551	0.5
123.04445	0.7
124.03959	9.7
127.03941	0.3
145.80670	0.2
147.04419	5.0
163.03922	0.3
165.05557	0.5
196.06052	0.6
220.06056	26.6
221.06430	0.2
229.32227	0.3
238.07104	4.3
254.06612	0.7
256.08246	0.4
280.08075	0.3
293.11807	0.5
337.14233	0.2
382.11084	0.3
400.12427	11.1
564.16864	0.4
586.49152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01862	2.6
55.05516	12.8
57.03431	3.4
57.07064	2.6
65.03927	1.8
67.05514	28.2
69.07077	12.2
69.22418	8.1
71.04998	10.6
71.08633	2.2
75.63316	0.7
79.05077	1.3
79.05503	19.5
81.03410	1.3
81.06598	1.7
81.07066	33.4
82.26929	0.8
83.04990	2.3
83.08624	7.1
85.06540	3.0
85.10164	0.8
91.05493	22.9
93.07056	22.7
93.07635	1.3
95.04972	2.9
95.08617	18.7
97.06513	2.9
97.10166	3.5
98.21539	1.7
99.08086	2.5
105.07040	20.7
105.07732	0.7
107.04947	0.9
107.08607	11.4
109.06531	2.0
109.10179	7.9
111.08038	1.5
117.07020	8.9
119.08596	18.4
121.06508	1.6
121.10160	9.4
123.08103	1.0
123.11701	3.9
128.06203	1.9
129.07042	5.8
131.08601	17.0
133.10138	12.3
135.08069	1.0
135.11685	6.3
137.09621	1.2
141.07001	2.1
143.08572	9.1
145.10152	15.5
147.11697	6.2
149.09593	1.7
149.13246	3.4
151.11215	1.5
155.08565	3.5
157.10124	6.7
159.11714	6.9
161.13284	5.3
163.11168	2.3
163.14793	1.8
165.12802	1.0
169.10139	3.6
171.11656	5.5
173.13318	4.8
175.11176	1.1
175.14828	2.5
179.14326	3.1
181.10155	1.8
183.11713	2.9
183.13899	1.1
185.13272	3.5
187.14845	5.0
189.16403	2.0
195.11684	2.3
197.13239	2.8
199.14839	2.5
201.16399	2.0
209.13326	1.3
211.14864	2.5
213.16380	2.4
221.13115	0.9
223.14819	1.3
225.16344	1.2
227.12828	2.6
227.18048	1.3
244.90059	0.9
257.17551	1.3
261.22144	1.3
267.15924	3.0
269.22610	1.1
275.20117	1.0
277.21640	3.3
285.22128	1.9
287.23672	2.7
293.21042	1.4
317.24576	1.1
325.25247	1.0
329.24915	1.0
335.25864	2.2
336.09021	1.0
339.26617	0.9
343.26273	2.8
351.25433	1.7
358.34348	0.9
387.56888	0.9
417.30322	1.0
419.32938	2.4
437.34259	9.8
455.35132	3.6
473.36359	1.3
492.80579	0.8
493.36749	0.9
511.37817	5.9
529.38953	100.0
530.39069	2.0
543.36621	5.1
561.42072	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01876	4.3
55.05515	16.1
57.03442	11.1
65.57566	1.3
67.05509	24.8
67.74487	1.1
69.03439	4.5
69.07074	11.0
69.74016	1.2
70.63984	1.2
70.64324	3.7
71.04995	5.1
73.02938	1.5
79.05072	1.8
79.05499	23.1
81.03425	88.5
81.07065	27.8
83.04981	10.7
83.08624	25.1
85.02906	11.1
85.06555	2.4
87.61622	1.3
91.05487	30.4
91.06030	2.4
93.07050	16.6
95.04980	28.5
95.08614	10.0
97.02892	6.9
97.06535	5.2
97.10179	7.7
105.07043	23.4
107.04975	9.7
107.08611	13.3
109.06523	4.9
109.10156	5.8
111.04417	1.8
111.08105	7.8
115.05479	2.2
117.07016	3.2
119.08589	19.5
121.06546	5.8
121.10136	9.1
123.08086	3.9
123.11731	1.4
125.09654	5.7
129.07011	15.0
131.08597	10.6
133.06516	4.8
133.10118	10.6
135.08049	2.7
135.11681	1.6
137.09660	2.1
142.07813	3.4
143.08540	2.4
145.06535	4.2
145.10132	3.8
147.08051	4.5
147.11687	14.1
149.09637	6.8
157.10144	10.7
159.08115	1.5
161.09682	1.4
163.11255	2.2
165.12761	1.4
167.08315	1.2
171.11766	1.3
173.09651	1.4
175.11176	11.7
189.11345	2.4
193.12254	31.6
193.13889	2.3
195.11769	1.7
211.13301	22.2
223.13347	4.2
241.14290	1.4
249.14937	2.0
255.13586	1.3
267.15933	100.0
273.14923	2.8
285.16995	26.9
285.20160	1.4
291.19574	22.2
349.21548	3.2
365.23264	31.5
367.22812	10.3
385.23712	10.8
403.24838	2.3
433.26135	11.6
441.26288	6.3
459.27435	55.5
477.28534	40.5
488.50696	1.5
562.37585	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	560.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24433	0.9
53.03950	1.9
55.05509	5.5
56.12947	1.1
57.03433	2.5
57.07081	5.5
61.02917	1.9
65.03941	1.2
67.05515	15.6
67.05851	1.8
69.03436	11.9
69.07067	3.5
70.06602	2.0
71.05003	1.4
71.52922	1.3
72.08157	1.5
73.02901	1.1
79.05482	3.6
81.03424	11.0
81.07056	7.6
83.05001	1.9
83.08606	1.8
84.08142	2.5
85.02912	13.1
85.06551	77.5
86.09688	2.1
87.00836	5.1
91.03902	1.4
91.05479	3.7
93.07050	5.3
95.05002	2.1
95.08624	9.5
97.02902	7.6
97.06497	1.3
98.64806	1.0
99.04452	2.9
99.08101	73.3
103.05422	1.1
105.01862	3.9
105.07020	8.3
107.08608	7.5
109.02901	7.5
109.06534	3.6
109.10181	5.4
111.08079	1.8
119.08590	11.8
120.08029	1.0
121.10149	13.3
123.08064	2.8
123.11685	2.5
125.09647	5.8
127.03912	11.6
131.08553	2.9
133.10133	8.6
135.08113	1.3
135.11697	2.6
137.09583	3.1
139.11160	2.0
143.08577	3.2
145.04971	1.6
145.10130	4.6
147.08073	1.1
147.11707	12.7
151.11208	1.3
156.09319	1.6
157.10135	4.9
159.02890	3.8
159.11713	4.9
161.09628	1.6
161.13266	2.7
165.12750	5.3
169.45564	1.1
170.10988	1.7
171.11722	3.9
173.13231	2.5
175.11194	2.0
175.14792	5.5
177.12732	1.0
179.14342	4.2
185.13301	6.6
188.40285	1.0
189.12808	1.1
199.14874	5.1
199.65549	1.0
201.16408	7.2
203.14288	3.2
218.16498	1.1
231.05110	1.8
241.19591	3.7
259.20596	100.0
261.22211	1.5
261.40216	0.9
277.21518	4.5
311.13098	1.0
318.08588	1.2
377.68430	1.0
396.64044	0.9
525.27014	51.5
534.32416	1.0
560.27332	2.0
560.35474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	13.1
55.01863	10.7
55.05514	32.7
57.03423	7.4
65.03949	5.7
65.25706	3.1
67.05508	96.5
69.07065	23.6
69.80012	3.2
70.69709	5.9
71.04986	9.3
71.08617	10.4
79.05495	100.0
79.51323	3.2
81.03394	11.2
81.06593	5.5
81.07056	98.8
83.04546	2.8
83.04963	18.7
83.08617	17.0
85.06545	5.6
91.05481	79.5
93.07044	98.2
95.04975	23.4
95.08607	62.5
97.06525	10.7
97.10162	5.4
99.08048	5.5
105.07036	52.5
107.04934	10.1
107.08610	38.7
109.06520	6.6
109.10157	20.2
111.08092	6.1
115.05471	3.4
117.07023	15.5
119.08588	37.8
121.06485	5.4
121.10141	24.6
123.08079	6.4
123.11706	4.0
125.09590	5.6
127.28533	3.0
128.06197	4.1
129.07034	16.3
129.84615	3.3
131.08549	19.2
133.10129	22.3
135.11703	21.3
143.08551	12.8
145.10098	26.7
147.11687	38.6
149.13228	11.5
155.08473	7.3
157.10110	7.4
159.11708	11.5
161.09677	6.6
161.13243	12.8
163.11221	5.2
171.11682	32.2
173.13199	7.5
179.14288	20.6
183.11786	4.6
185.13319	4.4
189.12752	9.8
198.00635	3.8
207.13779	24.4
208.73917	3.7
249.30946	3.3
261.22092	7.4
277.21637	18.5
281.17441	42.2
335.25879	36.4
390.37839	3.5
523.37653	4.3
527.37469	17.8
541.39105	66.8
559.36652	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.6
55.01868	4.6
55.05513	29.1
57.03437	14.2
57.07085	3.2
65.03953	5.9
67.05510	92.5
69.07073	22.3
69.67119	4.6
69.67518	12.7
71.05004	2.6
77.03909	2.3
79.05502	90.7
81.03419	9.0
81.06596	4.9
81.07063	83.9
83.04981	13.9
83.08619	14.8
85.06538	6.1
91.05489	76.5
93.07049	100.0
95.04984	26.2
95.08613	57.1
97.06525	6.6
97.10178	4.6
105.04533	5.5
105.07040	50.5
107.04952	8.7
107.08604	36.0
109.06525	10.2
109.10175	19.5
115.05433	2.8
117.07053	13.1
119.08586	37.2
121.06522	3.4
121.10152	21.5
123.08051	6.5
123.11701	5.8
127.07570	2.3
128.06241	5.1
129.07013	22.1
131.08543	13.4
133.10143	13.4
135.11713	13.5
137.13194	3.1
143.08554	10.8
145.10136	14.9
147.08058	3.8
147.11691	40.6
148.47234	2.3
149.13261	8.1
159.11729	5.8
161.09668	3.5
161.13272	13.4
163.14854	3.7
171.11719	28.4
173.13286	4.7
187.14885	2.9
189.12762	10.1
207.13864	26.7
211.14870	2.8
239.23903	2.5
243.21167	3.9
252.07669	2.8
261.22037	11.3
279.15939	4.2
281.17499	59.3
335.25827	61.2
467.35202	3.1
541.38977	84.6
559.39697	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	559.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01882	3.1
55.05519	28.4
57.03425	5.9
57.07066	8.9
65.03959	4.3
67.05510	69.8
69.06778	2.3
69.07074	23.2
70.06569	3.9
70.45675	2.4
70.97972	5.7
71.04996	3.7
71.08622	5.3
79.05500	48.9
81.03427	5.6
81.07061	67.1
83.04983	6.6
83.08625	17.4
85.06532	3.1
88.07637	6.0
91.05488	47.5
93.07050	49.6
95.04943	9.7
95.08609	36.5
97.06538	7.2
97.10159	10.0
99.08100	3.3
102.09200	4.4
104.42346	3.1
105.07043	33.5
107.04936	7.3
107.08601	26.5
109.06533	6.1
109.10172	16.9
111.08079	4.9
113.09603	2.9
115.05465	4.1
117.07041	19.9
119.08588	26.2
121.06559	4.0
121.10161	18.9
123.08071	4.9
123.11695	4.8
125.09604	6.4
128.06187	4.0
129.07031	20.1
130.99716	2.8
131.08580	51.0
133.10179	13.1
135.08061	4.4
135.11678	9.1
137.13217	3.5
141.06941	6.2
143.08548	27.2
145.10135	29.3
147.11708	16.3
149.13274	9.4
155.08553	11.9
156.09192	3.6
157.10155	24.1
159.11668	13.6
161.13214	7.4
163.14893	3.3
167.08572	3.6
169.10196	20.3
171.11720	21.7
173.13254	8.1
175.14915	5.1
177.12697	4.8
181.10115	10.7
183.11693	14.4
185.13240	9.1
187.11136	4.0
187.14815	6.5
189.12700	3.3
193.10187	3.7
195.11723	6.0
197.13297	9.5
199.14827	8.1
207.11765	4.1
207.13771	7.1
209.13196	7.6
211.14850	6.3
213.16383	5.9
221.13290	3.7
222.37112	2.9
223.14937	5.0
225.12878	2.6
225.16493	5.4
227.18073	3.6
235.14929	3.5
237.16443	4.8
241.19571	3.2
243.21130	5.2
256.26389	13.2
257.26627	10.1
259.20636	4.1
261.22098	4.8
279.15820	8.1
281.17587	20.1
291.19543	5.5
335.25760	9.1
381.27252	2.9
431.32864	7.6
437.34204	5.9
439.35825	4.3
449.34195	21.6
467.35388	13.4
473.13663	3.0
485.36469	12.6
511.37549	6.8
523.37720	11.6
529.38702	21.8
531.40051	3.7
541.39020	100.0
559.23706	3.4
559.39789	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34271	1.4
60.36746	1.7
71.51830	3.0
72.08148	3.0
74.91798	1.4
76.44625	1.7
79.36423	1.6
82.06571	3.2
84.04513	2.1
86.09690	5.3
91.05508	2.1
93.68776	1.6
98.97592	1.7
101.07191	1.9
110.06068	11.3
118.06561	10.4
126.05498	3.0
130.06499	2.7
132.08089	2.8
136.07588	37.2
143.07336	1.5
144.08093	4.5
146.06013	33.6
152.07063	2.5
159.09187	4.6
164.07077	100.0
170.05969	2.3
182.08139	96.3
188.07079	51.0
205.09744	23.0
230.79381	1.6
319.12814	6.3
329.14529	1.6
337.14014	13.8
355.14908	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
53.04945	2.1
55.01876	19.3
55.05515	55.8
57.03443	12.7
59.05042	1.8
65.03939	4.9
67.05508	75.9
69.03435	8.4
69.07070	40.5
69.73887	10.9
71.04998	5.5
79.05499	65.2
81.03422	54.7
81.07061	75.7
83.04990	9.8
83.08624	35.5
85.02907	4.0
85.06561	5.0
91.05487	56.7
91.06027	4.1
93.07048	52.3
95.04973	34.3
95.08602	37.4
97.02946	2.9
97.06524	19.1
97.10178	33.3
98.20807	3.3
99.08134	3.2
105.07037	58.4
107.04957	19.7
107.08608	42.0
108.22028	2.1
109.06551	11.9
109.10160	23.2
111.04462	2.1
111.08089	7.6
115.05526	3.4
117.07027	25.7
119.08594	34.1
121.06532	12.3
121.10139	18.8
123.08089	7.3
123.11681	14.5
125.09645	30.0
128.06271	3.7
129.07022	20.4
131.08580	34.3
133.06516	9.4
133.10130	28.2
135.08095	12.2
135.11729	10.6
137.09703	5.0
141.07030	5.5
142.07843	5.4
143.08566	20.0
145.06505	10.7
145.10144	32.7
147.08109	6.4
147.11697	27.6
149.09644	17.5
149.13280	3.2
151.11241	5.1
153.06953	2.1
153.09113	4.6
155.08607	7.6
157.06557	2.7
157.10167	17.2
159.08098	4.0
159.11673	13.8
161.09656	4.5
161.13254	5.1
163.11215	13.0
165.09196	2.8
165.12814	2.3
167.08612	3.7
168.09354	2.4
169.10188	10.0
171.08154	2.3
171.11665	11.6
173.09648	8.5
173.11958	2.3
173.13301	8.0
175.11237	9.0
177.12799	3.8
179.14384	3.6
181.10205	4.7
183.11736	9.4
185.09663	3.1
185.13283	9.8
187.11223	9.8
187.13348	2.4
189.11226	21.2
189.12729	3.7
193.12265	21.5
195.11736	4.0
197.13347	6.8
199.11237	3.2
199.14880	3.2
201.12796	4.9
209.13379	4.8
210.47755	2.0
211.14981	2.5
219.25616	1.9
223.14957	3.0
227.12769	25.9
227.14592	2.7
229.14543	2.4
233.15442	2.8
249.14928	5.4
257.19159	5.8
259.20709	2.5
267.15948	33.1
271.20407	2.6
272.86270	2.0
273.18524	2.3
275.20105	49.7
281.19003	3.7
291.19678	3.1
293.21210	6.6
295.20602	2.6
297.22232	5.6
299.20050	18.5
311.20322	2.3
313.21729	5.7
315.23242	10.4
317.21127	10.6
329.21191	2.7
349.23734	17.9
355.22833	4.8
373.23868	6.8
397.22287	3.4
403.25143	3.2
421.26178	3.1
431.29520	5.4
435.27621	2.1
439.32516	3.8
445.29913	2.5
447.27536	7.2
449.30441	13.7
467.31595	18.2
477.28391	4.9
485.32535	10.3
503.33316	2.6
523.34454	8.0
541.35297	96.3
545.49969	2.5
559.36365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01875	3.0
55.05514	21.3
55.96451	2.3
56.68452	2.4
57.03445	16.5
57.07078	38.1
58.04237	2.4
67.05506	29.4
69.03433	3.4
69.07073	17.0
70.76272	4.7
70.76624	3.0
71.04989	3.6
71.08635	28.0
79.05499	18.3
79.40504	2.1
81.03427	44.5
81.07066	34.2
83.04972	13.4
83.08633	27.6
85.02900	15.7
85.10184	11.6
89.06026	8.8
91.05489	27.5
93.07043	16.5
95.04973	19.3
95.08611	23.0
97.06506	3.8
97.10181	7.7
105.07037	17.7
107.04959	6.1
107.08622	7.2
109.06535	2.9
109.10174	10.0
111.04384	2.7
111.08086	10.3
111.11666	3.1
119.08580	12.9
121.10166	5.5
123.11744	3.9
129.07016	9.7
131.08591	9.2
133.08609	3.6
133.10132	9.4
142.07855	2.4
147.11693	10.4
149.09663	5.2
157.10121	12.7
165.12799	3.2
175.11154	11.0
193.12251	37.7
193.62648	2.2
211.13297	62.6
218.62100	2.4
235.76202	2.6
239.23851	2.7
256.26419	2.3
267.15897	22.4
283.26324	3.0
284.26459	3.7
285.16971	68.5
300.29041	3.4
302.29956	2.9
311.25912	4.6
313.27383	100.0
345.21014	2.5
505.38904	16.4
523.40033	79.3
558.45087	3.2
558.53796	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	558.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88675	0.9
53.03937	1.7
55.01872	2.3
55.05511	11.2
57.03443	7.6
57.07081	22.2
67.05508	15.1
69.03429	1.7
69.07066	8.2
69.19826	10.6
71.04996	3.3
71.08635	15.5
79.05510	6.8
81.03423	38.8
81.07067	18.6
83.04999	7.9
83.08623	19.5
85.02911	12.2
85.06572	1.9
85.10191	9.1
89.06022	1.9
91.05490	10.6
93.07051	6.8
95.04976	14.2
95.08624	14.4
97.10185	5.0
98.20801	2.8
98.21497	3.1
105.07045	9.2
106.02880	1.2
107.04982	3.1
107.08601	4.2
109.06556	1.4
109.10155	7.5
111.08093	6.8
119.08583	9.3
121.10143	4.2
123.08081	1.6
123.11731	2.3
129.07027	5.1
131.08560	4.7
133.10132	4.5
137.09659	1.3
145.10075	1.3
147.08034	2.3
147.11694	6.6
149.09631	3.3
157.10136	6.7
175.11176	8.4
193.10782	0.8
193.12260	26.7
211.13300	48.6
211.15324	2.4
227.12851	1.2
267.16046	8.0
285.16986	39.6
313.27386	62.3
391.04498	1.0
456.15579	1.1
465.35751	2.9
505.39038	6.9
523.39990	100.0
524.40186	1.7
558.53418	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.05319	1.5
55.05513	16.8
57.03424	6.3
57.07058	2.7
59.04987	3.6
63.21700	1.5
65.03928	2.1
65.07932	1.5
67.05509	100.0
69.03403	1.9
69.07072	9.8
71.04991	3.1
71.08617	5.3
79.05495	14.9
81.07065	34.3
83.04980	4.3
83.08617	7.6
85.06529	2.4
91.05483	21.9
93.06495	2.2
93.07054	25.1
95.04974	3.8
95.08616	32.5
97.06539	4.3
97.10188	3.6
99.08082	5.0
105.07022	9.6
107.08611	12.8
109.06525	3.2
109.10165	66.6
111.08077	4.0
117.07014	4.8
119.08587	10.4
121.06503	2.5
121.10135	5.3
125.09648	2.5
129.06995	3.0
131.08556	4.6
133.10132	5.6
135.11707	3.4
137.09616	2.5
139.11130	2.8
143.08539	3.1
145.10097	2.7
147.11687	4.0
149.13237	4.8
151.11179	7.6
155.10658	4.0
157.10165	2.3
159.11681	5.2
161.09506	1.6
161.13293	2.5
163.11174	4.5
173.11781	15.6
227.12793	6.9
229.12129	3.1
229.14369	34.8
229.27043	2.2
269.17490	5.9
277.21686	7.3
327.21875	2.5
351.25192	7.6
369.22696	23.2
383.24454	11.2
399.23404	2.9
423.27448	80.6
505.34970	7.7
540.37683	6.5
558.38232	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	558.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	1.0
55.05510	4.3
56.05038	1.2
57.03427	0.7
57.07066	1.7
58.06592	0.6
62.06098	1.1
67.05509	7.6
69.03465	0.7
69.07066	4.0
70.06594	5.8
70.80313	1.3
71.05013	0.7
71.07365	0.7
71.08624	4.0
72.08156	5.3
78.54379	0.5
79.05495	5.4
81.03408	1.7
81.07063	14.4
83.04970	1.2
83.08628	1.5
84.04477	0.5
84.08146	2.1
85.02859	0.6
85.06557	1.3
86.06071	27.0
88.07634	5.3
91.05483	6.3
93.07036	3.8
94.06606	0.6
95.04974	2.1
95.08618	5.4
96.08131	6.2
97.06536	1.9
98.06064	1.3
98.09692	12.7
99.04465	1.0
99.08087	1.5
102.09182	3.4
104.98899	0.5
105.07040	6.5
107.04966	0.9
107.08609	2.3
108.08136	3.4
109.06499	2.8
109.10166	2.1
110.09759	0.9
113.06010	0.6
114.09174	1.7
116.10736	71.4
119.08597	5.3
121.10167	1.8
122.09657	2.7
123.08052	1.2
123.11729	2.7
124.07594	1.9
129.07027	2.3
131.08559	1.8
133.06471	0.5
133.10170	4.0
135.11742	0.5
138.09157	1.1
140.10739	1.0
142.08638	4.5
142.12299	1.5
143.08531	0.8
143.10661	6.9
145.10156	0.8
147.11693	10.0
149.02350	11.2
149.09552	0.7
157.10135	3.4
163.11195	0.5
165.12762	3.9
166.15909	0.7
174.84506	0.5
175.11206	3.6
193.04985	13.0
193.12215	2.5
196.16966	1.2
200.20126	11.3
211.17130	0.6
214.18054	12.1
229.14360	0.5
229.40714	0.5
236.20222	0.7
237.14874	1.6
246.22180	0.5
248.20079	1.4
264.23322	1.7
266.21198	3.2
282.24274	6.7
284.22247	4.5
290.21143	1.5
297.04041	0.7
308.22156	8.5
313.07150	0.7
326.23285	9.5
341.06638	2.5
344.24368	13.3
359.07565	1.9
385.09201	11.7
424.30737	2.2
442.24393	9.3
442.31665	2.1
460.25443	100.0
461.25931	0.7
540.31805	3.8
558.26758	19.7
558.32959	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06039	2.2
52.79011	2.3
53.03934	4.2
55.01885	5.2
55.05498	9.4
57.03447	5.2
59.52322	2.3
67.05512	14.7
69.03437	13.4
69.06467	2.8
69.07063	12.1
70.06606	3.7
71.04983	8.9
72.08146	3.3
79.05488	14.7
81.03436	19.6
81.07068	23.4
83.04972	5.9
83.08592	7.2
85.02914	21.2
85.06541	11.9
86.06065	13.3
86.09720	2.8
87.00821	8.3
91.05486	17.0
93.07058	17.7
95.04951	8.4
95.08618	28.1
97.02866	6.1
97.06529	13.0
97.10191	3.0
99.04458	11.6
101.26714	2.6
105.01878	4.7
105.07044	17.9
107.08604	20.3
109.02882	12.9
109.06506	8.3
109.10145	8.8
111.04446	5.3
111.08086	5.9
113.09633	12.5
115.05474	4.4
116.10741	18.3
117.07042	5.2
119.08613	16.3
121.06461	4.8
121.10145	19.4
123.08034	7.7
127.03920	17.5
128.06218	3.9
129.06967	7.1
131.08571	7.5
132.40201	2.3
133.10123	14.9
135.08043	12.8
135.11676	4.0
137.09634	8.4
142.12222	2.9
143.08565	5.8
145.04927	2.9
145.10126	6.5
147.11682	8.3
149.09607	11.3
149.13298	4.9
153.09117	2.7
155.08452	3.0
155.10622	3.0
157.10146	9.3
159.02916	6.1
159.08029	5.9
159.11719	10.5
161.09616	10.2
167.10675	4.9
168.09329	3.0
171.11667	6.7
173.09618	2.4
173.13248	7.8
175.11241	3.9
175.14868	6.2
177.12761	2.5
183.11687	4.4
193.12256	5.6
195.11742	2.7
199.14786	14.6
201.12723	6.0
212.16429	7.8
214.18008	4.9
215.17879	2.7
217.15866	7.9
219.13800	13.0
222.22794	2.9
230.17529	34.2
237.14952	12.4
239.17970	4.0
257.19070	12.6
275.20096	52.8
292.23669	2.3
293.21106	100.0
541.26642	18.1
543.96887	3.0
558.33746	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05516	2.2
57.03445	0.3
57.07062	0.4
58.06604	0.2
60.04497	0.2
62.06081	0.3
65.03938	0.3
67.05495	2.4
69.07078	1.3
69.79276	0.4
69.79630	1.1
70.06588	0.9
71.05000	0.2
71.07363	0.3
71.08630	5.5
72.08163	1.4
78.25527	0.2
79.05489	1.7
81.03423	1.3
81.07058	3.9
82.76189	0.2
83.04972	0.6
83.08613	0.8
84.04490	0.4
84.08160	1.3
85.06548	0.3
86.06074	3.7
91.05490	1.6
93.07042	1.4
95.04962	1.1
95.08607	1.8
96.08133	3.7
97.06527	0.7
97.10136	0.3
98.05518	0.2
98.06072	0.9
98.09697	2.5
99.08102	2.5
105.07034	1.5
107.04936	0.3
107.08594	1.0
108.08144	1.6
108.08836	0.3
109.06525	0.8
109.10149	0.5
110.09698	0.5
110.75244	0.2
111.08095	0.3
112.07626	0.5
113.08372	0.5
114.09178	1.0
116.10739	16.9
117.07037	0.3
119.08591	1.3
121.06499	0.3
121.08909	0.3
121.10129	0.4
122.09685	1.4
123.11668	0.5
124.07591	1.2
125.09600	0.3
126.09142	0.6
129.07005	0.4
130.04988	0.4
131.08562	0.5
133.10167	0.4
134.09656	0.4
135.08083	0.4
136.11200	0.9
138.09151	0.5
140.10686	0.5
142.08640	0.9
142.12254	0.2
143.10670	1.8
145.10057	0.2
147.08063	0.4
147.11700	1.0
149.02293	0.3
149.09732	0.2
149.13261	0.2
150.12773	0.3
154.12180	0.3
154.15900	2.7
157.10152	0.6
159.11589	0.3
160.09727	1.1
161.13239	0.3
164.14372	0.6
165.12814	0.4
166.15910	2.6
168.17517	1.0
170.15385	0.4
175.11203	0.6
178.15895	1.0
193.12239	0.7
194.15384	0.6
196.16978	7.1
212.16464	0.8
214.18027	100.0
215.18248	0.4
218.26796	0.2
229.14409	0.3
240.15964	0.7
255.15895	0.2
257.22699	0.3
258.17023	9.0
260.46637	0.2
267.15884	0.7
274.44193	0.2
282.24182	0.4
284.22122	0.3
308.22208	0.6
326.23172	0.4
344.24429	0.7
385.08871	0.3
424.30658	0.3
442.24493	0.4
459.27356	0.6
460.25635	4.0
535.45184	0.2
540.32318	0.8
558.33191	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	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06039	2.2
52.79011	2.3
53.03934	4.2
55.01885	5.2
55.05498	9.4
57.03447	5.2
59.52322	2.3
67.05512	14.7
69.03437	13.4
69.06467	2.8
69.07063	12.1
70.06606	3.7
71.04983	8.9
72.08146	3.3
79.05488	14.7
81.03436	19.6
81.07068	23.4
83.04972	5.9
83.08592	7.2
85.02914	21.2
85.06541	11.9
86.06065	13.3
86.09720	2.8
87.00821	8.3
91.05486	17.0
93.07058	17.7
95.04951	8.4
95.08618	28.1
97.02866	6.1
97.06529	13.0
97.10191	3.0
99.04458	11.6
101.26714	2.6
105.01878	4.7
105.07044	17.9
107.08604	20.3
109.02882	12.9
109.06506	8.3
109.10145	8.8
111.04446	5.3
111.08086	5.9
113.09633	12.5
115.05474	4.4
116.10741	18.3
117.07042	5.2
119.08613	16.3
121.06461	4.8
121.10145	19.4
123.08034	7.7
127.03920	17.5
128.06218	3.9
129.06967	7.1
131.08571	7.5
132.40201	2.3
133.10123	14.9
135.08043	12.8
135.11676	4.0
137.09634	8.4
142.12222	2.9
143.08565	5.8
145.04927	2.9
145.10126	6.5
147.11682	8.3
149.09607	11.3
149.13298	4.9
153.09117	2.7
155.08452	3.0
155.10622	3.0
157.10146	9.3
159.02916	6.1
159.08029	5.9
159.11719	10.5
161.09616	10.2
167.10675	4.9
168.09329	3.0
171.11667	6.7
173.09618	2.4
173.13248	7.8
175.11241	3.9
175.14868	6.2
177.12761	2.5
183.11687	4.4
193.12256	5.6
195.11742	2.7
199.14786	14.6
201.12723	6.0
212.16429	7.8
214.18008	4.9
215.17879	2.7
217.15866	7.9
219.13800	13.0
222.22794	2.9
230.17529	34.2
237.14952	12.4
239.17970	4.0
257.19070	12.6
275.20096	52.8
292.23669	2.3
293.21106	100.0
541.26642	18.1
543.96887	3.0
558.33746	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01864	3.4
55.05518	20.6
57.03437	5.2
57.07071	2.5
62.32422	1.7
65.03951	3.1
67.05506	39.8
69.07074	14.0
71.04984	2.3
79.05022	1.6
79.05497	35.0
81.03419	5.0
81.06587	3.2
81.07059	42.1
83.04992	5.2
83.08624	9.7
85.06519	2.0
91.05483	38.3
93.07049	32.6
95.04985	6.5
95.08614	27.7
95.52145	1.7
97.06524	5.2
97.10165	3.7
105.04533	1.8
105.07036	32.2
107.04979	4.7
107.08609	17.8
109.06502	4.4
109.10160	11.0
115.05446	3.3
117.07013	13.9
119.08585	20.4
121.06547	2.2
121.10136	9.2
123.08083	4.0
123.11723	2.3
125.09629	3.8
128.06241	4.4
129.06999	13.3
131.08559	25.8
133.10133	15.9
135.11691	10.6
137.09625	2.3
141.06992	7.1
142.07803	3.9
143.08589	20.7
145.06448	2.5
145.10149	21.9
147.08115	2.2
147.11690	13.0
149.09648	3.5
149.13280	3.3
154.07861	2.1
155.08556	17.8
157.10130	21.0
159.08078	2.2
159.11713	18.0
161.13254	11.1
163.11246	5.0
167.08588	6.2
169.10110	19.5
171.11702	21.3
173.13263	10.6
175.11229	2.2
175.14827	3.9
179.08617	2.3
179.14450	2.0
181.10143	8.9
183.11691	18.4
185.09656	1.7
185.13303	15.0
187.14862	5.0
191.14250	2.0
193.10196	3.5
195.11700	12.7
197.13324	10.2
199.14851	5.5
207.11902	1.7
207.13795	2.7
209.13321	8.1
211.14865	7.0
213.12805	2.1
213.16408	8.0
219.11842	2.0
221.13258	3.4
223.14857	5.8
225.16483	4.6
227.12653	4.1
235.14743	2.5
239.18077	3.2
241.19556	4.2
249.16438	2.6
251.18050	2.2
257.19092	2.9
259.20541	11.1
275.20053	6.2
279.15930	3.5
281.17535	6.5
295.20499	3.3
297.22195	2.9
309.22192	2.7
313.21600	2.5
321.21994	2.7
323.23724	2.4
333.24298	5.1
335.23734	3.0
339.22977	1.9
341.24664	2.0
353.86377	2.0
357.24289	1.9
367.26373	2.1
374.52579	2.0
419.33246	2.8
429.31595	4.6
437.34033	11.0
438.19043	1.8
447.32703	22.2
465.33859	20.9
483.35010	13.4
511.36365	1.6
521.36047	7.7
527.37836	2.6
529.38721	6.7
537.24249	9.8
539.37402	100.0
557.38708	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01860	4.5
55.05520	18.6
57.03439	4.6
57.07080	5.1
57.55249	1.7
65.03938	3.1
67.05514	39.1
69.07061	12.8
71.04966	2.2
71.08642	4.3
72.07880	1.9
72.08179	18.1
73.08466	1.8
79.05499	37.5
81.03440	2.8
81.07066	39.2
83.04986	6.8
83.08624	7.5
85.06529	1.9
89.06040	4.3
91.05492	35.8
93.07055	37.9
95.04988	8.5
95.08625	22.7
97.06529	3.4
97.10185	5.8
105.07041	34.8
107.04957	4.9
107.08602	16.6
109.06541	3.5
109.10163	12.6
115.05481	2.2
117.07016	15.8
119.08587	24.1
121.06544	2.7
121.10152	12.2
123.08072	3.6
123.11722	2.6
125.09660	2.1
128.06290	3.1
129.07028	16.1
131.08569	25.9
133.06512	2.7
133.08615	2.7
133.10141	18.0
135.08109	2.1
135.11699	8.9
137.09613	2.6
141.07014	6.7
142.07791	4.8
143.08565	17.6
144.09268	2.3
145.10135	23.7
147.08049	3.3
147.11699	21.8
149.09612	2.4
149.13313	3.5
155.08589	15.8
157.10162	14.6
159.07985	2.0
159.11722	14.2
161.13281	14.1
167.08505	4.7
168.09430	4.0
169.10170	20.6
171.11673	21.5
173.13290	12.4
175.14854	4.7
180.09328	2.2
181.10144	12.0
183.11760	17.3
185.13286	12.3
187.14865	4.9
189.12744	3.7
189.16444	2.6
195.11749	9.9
197.13281	11.6
199.14838	6.6
207.11786	2.4
207.13785	3.3
209.13281	9.8
211.14862	6.6
213.16418	10.0
221.13309	2.8
223.14928	5.1
225.16490	4.4
237.16306	2.6
241.19600	7.9
259.20483	10.3
279.15872	3.8
281.17444	12.0
284.26575	2.1
315.23434	3.2
323.23779	3.0
333.24280	4.8
349.25104	2.4
419.33182	3.4
429.31631	5.2
437.34033	7.5
447.32599	20.0
465.33636	18.7
467.36435	2.4
483.34882	15.2
501.36041	3.4
521.36688	9.6
521.97833	2.0
529.38641	6.3
539.37408	100.0
557.38501	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.6
55.01866	2.5
55.05513	22.2
57.03430	6.3
57.07080	3.3
65.03957	2.5
67.05506	36.3
68.63881	1.2
69.07069	14.0
69.79603	5.9
71.05003	2.5
71.08629	1.3
79.05496	33.4
81.03436	3.9
81.07059	34.3
83.04998	3.6
83.08622	9.7
85.06553	2.0
91.05487	34.6
93.07047	28.7
95.04975	7.2
95.08614	25.8
97.06554	3.3
97.10197	5.0
99.08124	1.8
105.07036	32.0
107.04980	4.6
107.08601	14.9
109.06556	3.5
109.10165	10.3
111.08110	1.3
115.05481	1.9
117.07029	15.9
119.08589	25.6
121.06538	3.1
121.10143	11.9
123.08079	4.0
123.11747	2.0
125.09657	2.7
128.06241	3.4
129.07022	16.7
130.07756	1.6
131.08572	24.4
133.06532	1.3
133.10132	16.9
133.10925	1.3
135.08070	2.7
135.11682	7.7
141.06984	5.9
142.07831	3.1
143.08554	19.8
145.06551	1.9
145.09047	0.9
145.10123	23.6
147.08073	3.1
147.11697	15.6
149.09604	1.5
149.13287	4.4
153.07091	1.9
154.07814	1.6
155.08565	16.0
156.09343	2.0
157.10138	18.4
159.11710	13.8
161.09607	1.7
161.13269	9.1
163.11247	2.3
166.07726	1.2
167.08543	7.2
168.09454	1.5
169.10112	21.7
169.11540	1.2
171.08144	1.4
171.11681	18.8
171.12900	1.2
173.09731	2.1
173.13239	10.5
175.11282	1.7
175.14877	3.3
177.12706	1.2
179.08661	3.4
181.10168	11.9
182.10970	1.6
183.11708	13.5
185.13280	9.9
187.11235	2.4
187.14906	3.4
189.12778	2.7
193.10286	2.8
195.11716	11.5
197.13261	12.2
199.11299	2.0
199.14774	5.5
201.16440	1.7
205.10181	1.5
207.11832	3.6
207.13676	2.1
209.13266	8.7
211.14844	9.3
213.16405	5.7
215.18085	1.3
217.19478	1.3
219.11732	2.0
221.13306	4.0
223.14912	5.0
225.16469	4.4
233.13358	1.7
235.14851	3.6
237.16487	3.4
241.19559	5.8
247.17067	1.5
249.16385	2.7
251.18015	1.7
253.19550	1.4
257.19070	2.6
259.20578	13.0
261.16342	2.0
261.22144	1.1
275.20297	2.2
277.21744	1.3
279.16077	4.9
281.17432	7.7
285.18665	1.6
287.20190	2.5
297.22217	1.6
299.20325	1.5
299.24057	1.5
307.21024	1.5
307.24728	1.5
309.22293	2.1
311.20282	1.4
313.22015	1.6
315.23340	1.7
321.22064	2.1
323.20126	1.3
323.23892	3.3
327.23181	1.5
333.24466	6.0
335.23727	2.1
337.25543	1.5
339.23254	2.5
349.25534	3.9
353.24722	2.4
419.33505	2.2
429.31744	3.8
437.34152	9.5
447.32590	22.2
455.35452	1.3
465.33719	23.1
483.34814	15.6
485.34094	1.5
501.35782	3.0
503.35461	2.1
509.36606	1.5
511.37827	1.8
521.36371	10.2
525.36359	1.1
527.37817	2.9
529.38885	6.5
539.37341	100.0
557.38519	59.9
558.39221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82918	2.3
53.03964	3.8
55.05518	30.3
56.93920	2.8
57.03449	12.9
57.07077	20.4
67.05514	25.4
69.07073	39.2
69.61363	5.8
69.61767	15.7
71.05001	7.3
71.08634	13.6
78.30110	2.6
79.05495	19.6
81.03422	45.3
81.07061	29.6
83.05013	13.3
83.08620	46.7
85.02913	21.4
85.10195	6.3
86.54840	2.7
89.06050	17.9
91.05487	19.3
93.07053	20.0
95.04964	16.2
95.08609	19.4
97.06527	4.5
97.10184	27.0
98.21474	6.3
105.07037	18.4
107.04990	4.5
107.08596	8.8
109.06512	3.7
109.10184	5.7
111.04495	3.7
111.08154	5.2
111.11730	6.8
119.08597	16.1
121.10164	12.0
123.11707	4.9
126.95496	3.1
129.07002	9.4
131.08580	10.0
133.08607	11.4
133.10153	8.5
135.11734	3.1
147.11678	8.5
148.08057	2.6
149.09645	5.0
151.01669	2.5
157.10164	10.4
175.11223	10.8
177.11322	3.6
187.71521	2.8
193.12244	34.2
211.13297	41.8
237.22041	4.4
247.50386	3.2
267.16019	13.9
283.26343	51.2
285.17001	52.2
297.50436	2.4
311.25818	84.0
311.29126	5.6
371.22800	11.0
428.06219	2.5
465.10770	2.8
503.37411	16.0
521.38379	100.0
556.52948	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	557.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75636	1.1
53.03935	3.7
55.01877	16.0
55.05271	1.8
55.05515	22.7
57.03439	7.2
57.07088	1.4
65.03951	2.7
67.05509	32.7
68.75796	0.9
69.03437	5.9
69.07072	16.2
69.70517	0.9
70.64339	3.2
71.04976	2.1
79.05497	34.5
81.03424	25.6
81.06590	2.3
81.07061	43.4
83.04991	7.0
83.08631	11.2
85.02906	3.2
85.06549	2.4
91.05488	26.5
93.07050	20.7
95.04974	19.9
95.08611	15.8
97.02892	1.8
97.06546	10.4
97.10167	12.7
99.08043	1.7
105.07037	19.9
107.04966	14.9
107.08611	14.1
109.06524	25.4
109.10163	9.0
111.04483	2.2
111.08084	4.0
113.06001	2.7
115.05460	2.1
117.07029	13.3
119.04887	1.5
119.08591	16.0
121.06523	11.8
121.10175	8.8
123.04495	1.4
123.08061	8.0
123.11662	1.4
125.09632	10.9
128.06236	5.2
129.07033	9.5
130.07854	1.8
131.04933	3.2
131.08583	17.7
132.60184	1.1
133.06502	4.5
133.10152	9.0
135.04440	1.1
135.08070	15.3
135.11720	3.8
137.09641	5.1
141.07013	2.8
142.07785	2.6
143.08572	6.8
145.06468	5.7
145.10135	14.6
147.08060	6.5
147.11705	5.8
149.09627	8.5
151.11243	1.5
153.09129	1.9
153.12770	1.2
154.07794	1.9
155.08572	3.5
157.06593	1.4
157.10143	7.2
159.08078	7.0
159.11684	5.6
161.06030	2.0
161.09644	8.3
161.13310	1.4
163.11166	5.9
165.09111	2.1
167.08539	2.0
169.06602	1.2
169.10153	4.3
171.08058	3.5
171.11676	3.8
173.09637	3.6
173.11908	1.5
173.13304	3.2
175.11223	3.3
177.12781	2.2
179.10919	1.3
181.10124	3.2
183.08017	2.7
183.11786	2.0
185.09607	3.8
185.13264	4.0
187.11235	5.1
189.11232	4.4
189.12819	3.4
191.14252	1.9
193.12253	6.4
195.11736	2.3
197.09705	1.5
197.13338	1.8
199.11215	3.8
201.12753	3.7
209.09801	1.3
209.13344	2.8
211.11200	2.6
213.12888	2.3
215.14223	1.6
217.12289	1.7
217.15881	2.8
219.12021	1.2
219.13702	5.5
221.13365	1.7
227.12811	4.5
229.14162	1.6
239.14400	1.6
243.14076	1.7
245.15518	3.2
247.16965	4.9
257.19125	1.9
258.17068	3.5
267.16013	5.1
271.17197	1.9
273.18512	18.0
275.20172	2.1
283.16776	1.4
291.19586	9.8
295.20706	1.2
297.18506	3.5
311.19919	1.8
313.21643	11.0
315.19739	2.8
319.19226	1.5
321.20905	2.4
327.19540	1.9
329.21188	2.3
341.21194	3.5
347.22159	4.2
353.21185	2.4
359.22263	1.5
369.24304	2.4
385.23480	1.6
415.25043	1.9
429.27509	2.8
433.25800	4.5
435.27484	1.5
437.30615	1.4
443.27435	1.7
447.28784	9.2
465.30069	13.4
483.31079	7.6
501.32040	2.4
521.32678	1.6
539.33820	18.8
557.34778	100.0
558.26984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.57159	1.0
55.01869	2.4
55.05515	25.9
57.03445	10.9
57.06796	1.0
57.07078	20.0
58.06606	1.4
59.36499	0.8
60.69820	0.8
65.03898	0.8
67.05502	14.6
68.03913	0.9
69.03423	1.7
69.07070	27.5
69.10905	0.8
70.06594	10.9
71.05006	2.3
71.08638	10.6
71.30404	1.1
72.08175	1.0
73.02896	1.2
79.05499	9.9
81.03419	37.9
81.07058	16.6
83.04980	6.8
83.08623	30.6
83.86457	0.8
84.08168	1.0
85.02911	13.4
85.06506	0.9
85.10188	5.0
86.09711	2.0
87.04482	1.1
88.07626	5.8
89.06046	3.1
89.91540	0.9
91.05483	13.3
93.07057	8.2
95.04973	13.1
95.08613	9.9
97.02902	1.7
97.06539	3.4
97.10176	17.2
97.74284	0.8
99.08112	1.0
102.09182	2.9
104.45276	0.9
105.07043	9.5
107.04946	2.8
107.08588	6.0
109.10182	2.8
111.04441	1.3
111.08093	5.1
111.11726	3.6
113.06010	1.1
117.07024	1.5
119.08595	9.2
121.10146	6.3
123.08076	1.1
129.07051	5.2
131.08569	5.1
132.10201	3.1
133.06509	1.3
133.08591	1.5
133.10133	3.6
135.11682	2.6
142.07765	1.3
145.10088	1.1
146.11778	4.2
147.08081	2.1
147.11694	6.7
149.09628	4.0
149.13310	1.3
157.10115	6.7
163.11148	1.3
175.11201	7.4
177.11179	1.0
193.12259	24.6
211.13306	35.2
237.22189	1.3
242.75891	1.0
256.26404	9.8
267.15891	9.7
272.25760	1.8
283.26331	32.1
285.16980	37.3
300.28973	18.8
311.25818	69.3
311.28973	3.0
318.30289	1.3
371.22644	1.5
439.87921	1.0
446.14450	1.2
503.37173	6.5
521.38385	100.0
538.50885	0.9
556.53009	83.9
560.04987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05515	3.2
56.05018	0.8
57.03421	0.8
62.06060	0.6
65.33942	0.5
67.05508	6.6
69.06727	0.6
69.07073	7.4
69.60593	1.0
69.61005	2.0
70.06570	1.3
71.01330	0.5
71.04956	0.5
72.04510	0.7
72.08132	1.1
79.05489	4.3
81.03423	1.1
81.05769	0.9
81.07062	10.1
82.06564	0.6
83.04969	1.9
83.08591	0.9
84.04480	1.9
84.08143	1.1
85.02882	0.9
85.05280	0.7
85.06512	1.9
86.06070	13.3
86.09700	1.0
89.02379	0.6
91.05487	4.8
93.07036	2.4
94.06574	0.6
95.04971	0.8
95.08614	4.1
96.08133	7.6
97.06535	3.6
98.06060	7.5
98.09669	1.6
98.21438	0.6
99.04462	2.6
105.07047	4.2
107.08586	3.3
108.08128	3.4
109.06530	2.5
109.10121	2.0
110.05994	0.7
110.09672	1.8
112.07600	1.4
114.09203	0.9
116.10738	6.6
119.08591	2.7
120.08094	0.8
121.06449	0.5
121.08836	0.6
121.10139	1.5
122.09652	1.7
123.08060	0.7
123.11707	1.9
124.07594	4.1
124.11192	0.6
126.09155	1.0
129.06961	1.5
130.05008	3.2
131.08559	1.5
133.10167	2.7
134.09680	1.2
135.07970	0.5
135.11699	0.5
136.11234	1.2
138.09131	2.3
140.10675	0.7
142.08662	13.3
147.11681	3.7
148.11281	1.0
149.09607	0.8
150.12708	0.9
151.11191	3.5
152.10690	1.6
152.14389	0.6
154.12267	2.3
157.10114	1.8
164.14342	1.4
165.12730	0.7
165.87923	0.5
166.15929	0.5
167.13036	0.5
168.13779	0.7
169.12283	2.5
170.11778	0.8
174.12852	0.8
175.11214	1.5
176.14342	1.0
177.05528	0.6
192.13841	2.5
193.12329	0.7
194.15373	2.9
208.16968	6.3
210.16933	0.3
210.18532	26.0
212.16461	100.0
213.16646	0.5
218.15390	1.0
220.09801	0.4
226.14523	0.6
236.16452	27.7
254.17532	16.0
255.15913	0.9
261.87610	0.5
271.14496	0.5
272.18576	22.7
355.15271	0.5
362.27075	0.8
370.18680	2.0
380.28116	1.4
388.19669	68.9
389.19821	0.8
422.29114	1.6
440.20978	0.6
440.30069	8.0
460.15173	0.6
495.25861	2.5
496.17316	0.7
538.30048	1.9
556.31177	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	556.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55787	5.1
53.03953	27.2
55.01863	17.3
55.05511	28.5
56.34743	5.6
57.03428	16.1
58.59823	5.5
64.81332	4.7
65.03941	10.1
67.05508	54.3
68.46843	5.3
68.99803	12.0
69.03085	7.7
69.03431	73.3
69.07056	21.6
71.04999	8.9
73.02912	16.4
79.05511	53.2
81.03423	73.0
81.07053	49.0
83.04965	8.0
83.08585	6.1
85.02907	99.3
87.00848	49.2
91.04978	4.4
91.05487	100.0
93.07061	37.4
95.04947	20.0
95.08644	27.9
97.02921	42.0
97.06528	27.0
99.04471	18.5
103.03935	8.2
103.05472	12.7
105.01875	25.2
105.03397	6.2
105.07029	50.2
107.04971	41.7
107.08585	10.5
109.02878	50.9
109.10159	7.2
111.04447	13.6
111.08076	7.8
115.05474	57.5
116.06230	6.2
117.07039	31.4
118.60467	5.4
119.08585	20.0
121.06512	9.3
121.10172	8.2
123.08092	8.8
127.03938	72.4
127.05384	6.3
128.06215	50.3
129.01799	10.0
129.07004	71.1
131.04933	29.1
131.08569	22.8
133.06482	14.0
133.10156	9.1
141.07018	46.2
141.67296	5.6
142.07779	16.1
142.12253	10.2
143.08568	40.6
145.04979	13.1
145.06496	27.9
145.10178	12.2
147.07974	8.3
149.13173	6.1
151.07545	6.3
152.06163	27.2
152.70599	5.3
153.07011	59.1
154.07759	30.7
155.06116	10.7
155.08554	46.4
157.06476	22.7
157.10129	10.3
159.02850	15.6
159.08081	24.4
161.05998	6.7
163.03993	6.2
165.06976	40.8
166.07764	18.2
167.08597	33.7
169.06453	15.9
169.10139	19.0
171.08067	21.4
173.05972	11.4
173.09648	7.6
175.07591	5.6
178.07771	10.1
179.08539	19.8
181.06505	8.5
181.10100	18.5
183.08076	23.3
185.06001	8.9
185.09570	7.4
187.07565	6.7
189.12788	10.7
193.10092	8.2
195.08102	16.3
197.04312	5.7
197.09708	11.6
207.08041	10.9
207.13779	8.9
209.09569	7.0
211.11302	6.3
219.08012	10.1
231.04988	7.4
255.17419	45.5
273.18439	20.6
277.67429	6.1
297.18445	13.4
301.14853	5.7
323.20370	7.1
337.14484	10.4
363.19128	6.7
381.20584	8.8
400.33728	5.7
474.18130	5.7
490.98615	7.9
503.22437	9.7
556.32428	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	556.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.83370	1.4
54.60915	1.4
55.05508	1.6
61.02932	1.6
67.05495	3.7
69.03454	1.3
69.07056	5.1
69.79262	6.8
70.06574	5.2
70.07376	1.8
72.08154	1.8
79.05484	6.1
80.04994	2.2
81.03397	2.1
81.07037	3.8
82.06568	4.1
84.04480	1.5
84.08150	1.7
85.02888	1.9
86.09696	5.1
91.05470	6.3
93.07029	10.4
94.06564	11.7
95.04980	2.6
95.07346	12.0
95.08621	2.5
96.08133	29.1
96.08691	1.1
97.02876	1.9
97.06541	5.1
103.05460	4.2
105.06997	2.2
108.08125	21.9
109.02850	2.5
109.06505	1.7
109.08935	1.9
110.09685	46.2
111.08136	1.5
120.08110	33.7
121.06487	2.1
122.06033	3.3
123.06789	2.1
124.07639	6.8
136.07578	13.3
137.09608	1.8
138.05525	1.6
138.09143	51.2
140.07028	2.5
142.08653	2.2
144.04456	3.8
146.05969	2.9
148.07619	8.8
152.07047	3.9
154.08571	1.8
166.08641	100.0
167.07092	1.6
168.06564	5.5
169.06874	2.5
172.03961	15.7
176.14345	4.7
181.04874	1.7
189.66223	1.6
190.04990	9.4
198.07664	1.7
204.06555	18.8
209.10791	1.6
212.16539	6.9
213.10419	1.9
223.08681	3.2
224.13463	1.3
225.10231	5.2
227.08141	3.4
227.11732	1.7
236.09444	1.6
237.10246	13.3
238.11015	2.2
239.08260	9.0
239.11836	2.6
241.09695	5.1
247.08704	2.1
250.08720	1.7
251.08238	8.7
253.09662	16.6
254.17587	3.0
255.11183	5.0
265.06964	1.4
265.09744	28.4
266.10580	1.9
267.07629	5.5
267.11328	11.1
269.09183	3.0
277.09674	2.2
279.07657	6.0
281.09238	19.3
283.10733	16.9
287.10376	3.5
293.09164	19.7
294.09937	2.0
295.10800	19.6
297.12271	2.3
299.10342	7.7
299.13416	1.8
309.08679	3.9
311.10199	19.4
313.11856	2.5
315.13483	2.6
321.08667	16.3
325.11853	11.0
327.09756	22.9
327.13315	3.1
339.09756	29.7
341.11237	6.0
353.11316	9.1
357.14639	2.6
359.12375	44.6
359.16727	2.3
367.19003	3.0
371.12390	20.4
372.13239	1.9
388.16141	2.3
400.16672	1.8
418.17569	5.7
440.20697	2.7
446.17178	9.5
448.18906	3.8
464.18246	31.2
474.16830	8.5
478.20172	1.8
480.21106	4.4
488.17798	1.8
492.17679	83.6
496.20264	1.6
506.19321	19.1
524.20313	37.3
538.21533	4.9
556.21503	14.1
556.29980	3.0
557.25861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58412	0.8
53.03949	1.6
55.01861	2.7
55.05515	22.8
57.00579	0.9
57.03440	6.5
57.07080	10.6
60.04521	0.8
67.05505	11.9
67.38244	0.9
69.03427	1.2
69.07073	31.5
69.23754	7.7
71.04972	1.9
71.08644	7.0
72.83183	0.8
79.05502	13.4
81.07064	14.1
83.04993	2.1
83.08165	1.6
83.08627	27.2
84.62297	0.8
85.10165	3.8
89.06045	1.1
91.05486	5.4
93.06487	1.6
93.07047	21.9
95.04987	4.6
95.08611	25.0
95.61209	0.7
97.02894	3.3
97.06526	5.6
97.10179	16.3
99.04447	2.4
103.05494	0.9
105.07054	4.9
107.04988	5.5
107.08606	17.4
109.06497	1.2
109.10165	2.4
111.04460	1.3
111.08087	1.6
111.11723	3.2
117.07037	5.5
119.08608	6.9
121.06516	3.3
121.10157	11.2
125.05979	1.8
130.07738	1.4
131.08545	0.8
133.10091	1.5
135.08060	1.5
135.11708	30.9
139.07529	1.2
145.09053	1.4
145.10130	16.6
145.60555	0.8
149.13211	0.8
155.90837	0.9
157.10143	1.3
163.11194	36.0
163.12567	1.9
181.12245	5.9
190.22699	0.8
210.20590	1.0
227.12788	47.7
237.22145	2.5
246.57004	0.8
283.15405	37.0
311.25812	90.4
439.84167	1.0
519.36853	100.0
520.37061	0.9
529.87195	0.9
536.49945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
51.47964	0.2
52.77755	0.2
55.05518	0.2
57.03436	0.3
69.03432	1.3
69.19690	1.1
69.20112	0.7
70.06590	1.0
72.08173	0.3
78.03458	1.9
79.05515	0.2
80.05022	0.4
81.03414	1.2
81.07084	0.2
83.05004	0.4
83.08601	0.2
84.04505	0.5
84.08123	0.6
85.02898	0.8
86.09711	0.4
88.03944	0.2
88.31593	0.2
90.05543	0.2
91.05476	0.3
93.07082	0.2
95.04979	0.3
95.40767	0.2
96.04497	0.5
97.02895	100.0
99.04452	0.2
106.02921	7.4
109.54002	0.2
115.26080	0.2
116.01701	0.2
118.32873	0.2
120.08147	0.2
124.03960	8.9
129.10216	0.4
136.06204	0.8
136.07610	0.2
137.02318	0.4
137.05952	0.3
143.47539	0.2
148.06073	0.2
161.05878	0.2
162.02271	0.2
193.12219	0.7
196.06078	0.4
210.14912	0.4
220.06053	25.8
234.13470	0.3
238.07123	3.8
254.06552	1.2
256.08145	0.4
285.16968	0.7
374.21698	0.3
382.11276	0.2
400.12427	8.3
554.14612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05029	0.7
58.06611	0.8
60.08164	9.3
60.64404	0.2
64.86808	0.2
67.05501	0.5
69.07060	0.2
70.06595	0.2
71.07377	3.9
71.52723	0.2
72.08166	0.2
79.05487	0.7
81.03413	0.2
81.07048	0.9
83.08664	0.2
86.09706	36.9
91.05486	0.5
92.07895	0.2
93.07030	0.5
95.08604	0.5
97.06496	0.2
98.98467	2.8
99.36553	0.2
103.76419	0.2
104.10742	31.0
105.07041	0.3
107.08627	0.6
109.10171	0.5
119.08549	0.4
125.00002	23.4
147.11713	0.3
148.45264	0.2
184.07338	100.0
204.31270	0.2
258.11102	0.6
340.01932	0.2
452.23996	0.6
534.31940	3.7
552.33032	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	553.058
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60136	0.6
61.78389	0.6
70.29394	2.4
94.93051	1.0
100.75751	0.6
104.24566	0.6
112.89619	1.9
122.48251	0.7
168.92160	5.8
186.93185	3.3
210.94092	100.0
228.94229	8.0
246.95296	3.0
270.95294	8.7
282.95084	0.8
300.96417	2.4
312.96289	1.3
330.97256	3.2
370.33127	0.7
372.98660	1.8
381.07990	12.4
406.90952	1.7
418.88318	1.0
419.03503	0.8
527.77313	0.8
553.04663	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	553.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54239	1.1
69.19842	12.4
70.18121	1.2
72.85534	1.1
86.42144	1.4
94.92997	1.6
112.89640	3.3
154.22586	1.1
159.91411	1.2
161.02969	1.8
163.03932	2.5
168.92152	7.1
186.93179	4.1
210.94095	100.0
227.03932	1.4
228.94235	12.1
245.05081	2.3
246.95265	5.2
261.35074	1.3
270.95334	8.7
300.96167	2.3
330.97446	3.8
354.76300	1.4
372.98337	2.3
381.08017	13.1
455.12234	1.4
553.04395	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03941	1.8
55.05269	0.9
55.05516	11.7
57.03438	0.5
57.07073	1.9
65.03942	1.4
67.05508	18.5
68.30866	0.6
69.07071	11.4
69.73852	3.0
71.04987	1.1
71.08628	0.6
79.05498	13.8
79.72452	0.5
81.03434	0.6
81.07063	24.9
83.04998	1.0
83.08621	6.9
85.02905	0.8
85.06538	1.0
85.68730	0.6
89.74802	0.5
91.05487	14.1
93.07053	15.1
95.04986	1.0
95.08616	21.7
97.06525	1.3
97.10194	5.5
99.08104	0.7
101.06071	0.6
103.05489	0.6
105.07040	17.5
107.08601	12.0
109.06530	1.0
109.09460	1.0
109.10171	11.1
111.08093	1.2
115.05479	1.2
117.07023	10.6
119.08588	16.2
121.06522	0.5
121.10162	8.0
123.08067	0.9
123.11747	3.0
123.12492	0.4
125.09652	1.7
128.06252	2.4
129.07010	13.0
131.08578	14.4
133.10144	12.0
135.11714	4.0
137.13174	0.7
141.06996	3.4
142.07803	2.3
143.08569	16.0
144.09424	0.7
145.10141	14.9
147.11685	7.0
149.13272	3.0
151.11076	0.6
151.14928	0.6
154.07767	0.7
155.08556	7.6
156.09415	1.6
157.10141	16.3
158.10916	0.8
159.11700	12.6
161.13248	4.1
163.14851	1.0
167.08563	1.7
169.10149	8.9
170.10881	1.0
171.11697	15.1
173.13290	6.8
175.14879	2.2
177.16516	0.6
179.08603	0.6
181.10133	2.8
182.10783	0.6
183.11700	8.3
185.13268	10.0
186.14017	0.8
187.14784	4.2
189.16440	0.9
193.10167	1.0
195.11763	2.7
197.13240	5.6
198.14034	0.6
199.14819	7.5
201.16469	2.0
207.11714	1.2
207.13786	0.6
209.13321	2.1
209.15253	0.8
211.14867	3.7
213.16457	4.2
215.18073	1.1
219.01843	0.6
221.13380	0.8
223.14862	1.7
223.16980	1.3
225.16417	3.2
227.17947	3.7
235.14865	0.9
235.17117	0.8
237.16428	1.3
237.18634	1.2
239.18007	1.2
241.19559	2.2
249.18564	0.9
251.17888	0.8
251.20256	1.1
253.19427	0.9
255.21132	1.1
261.18698	0.7
263.20090	1.7
267.21048	0.9
267.30176	0.6
271.16974	0.9
271.20584	0.8
275.20135	1.2
277.21658	2.0
283.20782	1.1
285.18738	0.7
285.22125	0.7
287.20132	1.0
289.21631	1.6
291.23434	0.9
295.20712	0.6
297.18338	0.8
299.20285	1.2
299.23630	0.9
301.21674	1.7
303.23227	1.5
309.22208	1.1
311.23746	0.6
313.21674	1.8
315.23273	1.9
317.24640	0.9
321.22101	0.9
323.23822	1.1
325.21783	0.6
327.23221	2.3
328.99332	0.7
329.24756	1.2
331.26398	2.0
335.23770	1.2
337.25531	0.8
339.23184	0.7
341.24713	3.4
343.26273	1.0
351.26913	0.9
353.24673	0.9
355.26321	3.0
357.27567	0.7
367.26501	1.0
369.27960	3.5
371.29510	0.7
381.27969	0.8
383.29608	2.9
397.31180	1.1
411.32742	1.4
433.31473	0.6
445.33163	0.6
447.32681	1.9
461.34009	1.1
479.35120	0.9
483.34891	2.3
484.35400	0.7
497.36325	0.9
511.37894	0.7
517.40594	8.0
535.41467	10.8
552.75696	3.2
553.42578	100.0
554.42773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01875	13.3
55.05503	10.7
57.03438	34.1
61.02919	9.5
64.38443	2.3
65.03946	2.8
67.05508	28.4
69.03448	16.2
69.07068	52.2
70.06583	11.1
70.66991	6.0
70.67332	2.7
71.01358	2.3
71.05003	16.5
72.08141	4.8
73.02911	4.8
73.06569	2.5
79.05068	4.6
79.05501	62.0
81.02990	3.6
81.03424	31.5
81.07063	50.1
83.04974	12.0
83.08626	9.7
84.04472	3.5
84.08151	3.8
85.02900	21.9
85.06532	2.8
86.09690	7.4
91.03958	3.9
91.05487	43.8
93.07044	51.0
94.06577	3.9
95.04982	14.5
95.08614	32.7
97.02924	14.6
97.03452	2.4
97.05927	4.0
97.06535	68.3
99.08087	7.7
100.11234	2.8
103.03960	5.8
103.05470	7.1
104.07121	9.3
105.07035	27.6
107.04951	13.2
107.08585	28.2
109.02883	5.6
109.06510	17.5
109.10149	6.3
111.04449	3.5
111.08073	5.6
115.07574	28.2
117.07016	17.4
119.04945	2.8
119.08576	21.6
120.08121	4.3
121.06519	28.9
121.10152	30.4
123.08077	19.6
125.05980	7.3
125.09658	14.8
127.03951	7.3
127.07564	7.5
128.06253	3.8
129.07001	19.7
131.04904	3.0
131.08571	26.4
133.06483	7.4
133.10138	11.5
135.08057	13.2
135.11746	3.5
137.05991	12.9
137.09641	14.2
138.06319	2.6
138.09105	3.0
139.07523	2.7
139.11194	8.1
141.06975	2.9
143.07027	10.6
143.08569	13.5
145.06512	8.3
145.10146	12.4
147.04359	5.4
147.08054	13.2
147.11736	3.7
149.09631	30.4
151.07507	9.6
153.09119	14.7
155.08504	3.0
157.10121	10.7
159.08066	5.4
159.11702	3.8
161.08234	3.2
161.09619	9.3
161.13258	5.0
163.07574	4.4
163.11238	4.6
165.09105	10.5
166.08723	3.6
167.07062	15.2
167.08398	3.1
167.10709	7.9
169.10162	3.1
171.11725	11.2
173.04489	3.6
173.05923	6.0
173.09599	4.5
173.13232	2.6
175.07513	3.7
175.11162	7.5
177.05301	2.8
177.09146	7.2
179.10738	3.2
183.11691	4.6
185.13310	5.3
187.11258	6.9
189.12807	7.0
191.10713	3.0
193.08524	3.3
199.14824	13.3
201.05457	3.6
205.12370	3.1
208.06146	3.8
209.13400	3.1
213.12605	2.5
215.07033	3.0
217.15909	13.5
222.11238	3.1
227.12517	5.0
227.14525	4.1
228.75179	2.9
231.06549	3.9
235.09691	6.0
241.14337	42.4
245.15443	44.3
263.16354	26.5
269.13834	5.6
279.11398	2.7
279.15814	3.2
281.17542	3.1
297.16989	2.9
319.19000	12.5
325.10507	3.1
337.20096	75.3
337.24097	4.4
339.13263	8.2
355.21146	100.0
367.13065	3.0
368.15106	5.1
390.28922	2.6
520.20697	10.7
552.23035	25.3
552.31012	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	552.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.4
53.03949	2.2
53.43194	0.4
55.01862	0.6
55.05509	4.7
63.25516	0.4
67.05500	1.1
69.03417	0.5
69.07050	0.9
70.06593	1.9
71.10195	0.7
72.08126	0.6
74.44231	0.5
77.03893	0.4
78.04724	2.0
79.05492	3.8
81.03418	47.5
81.07038	1.6
82.06553	1.1
83.04977	0.4
83.08615	3.7
84.04502	0.5
84.08103	0.7
85.02895	1.0
86.09678	0.6
91.05486	6.4
93.07051	5.3
93.19012	0.4
94.04185	0.4
95.04950	2.7
95.08591	0.6
97.02866	0.6
98.09702	0.5
100.07603	1.7
100.11258	24.1
102.04681	0.8
103.05477	7.5
104.07101	1.2
105.04519	0.7
105.07040	2.7
106.04165	1.6
107.04958	7.0
107.08582	0.4
109.06506	0.5
110.06026	0.7
110.09642	0.6
111.04453	2.2
112.07581	0.6
115.04713	0.6
115.05457	7.9
117.03322	0.4
117.07019	12.0
117.13876	0.6
118.04146	1.6
119.04945	0.7
119.08592	1.0
120.08073	0.7
121.06506	35.1
123.04433	5.3
124.05233	2.5
125.05994	0.8
126.09139	0.7
127.05417	0.7
127.08695	0.5
128.06180	1.1
128.07068	1.5
129.06995	1.9
130.04135	1.4
131.04919	4.1
132.05653	0.7
133.06497	2.1
134.03522	0.4
135.04405	0.5
136.07591	0.7
137.05954	1.8
138.09125	2.6
139.08662	0.6
140.04727	1.0
140.07066	1.3
142.04152	0.5
143.04913	1.5
144.05682	0.4
145.06491	20.9
146.06065	0.5
147.04395	1.6
147.08061	2.2
147.11722	0.6
148.05232	0.8
149.06029	0.6
151.03879	1.1
152.04657	2.6
153.05444	1.3
155.04890	0.8
155.06012	5.6
155.07056	0.7
156.05676	6.1
157.06456	0.9
159.04420	0.5
160.05188	1.6
161.06030	3.6
164.07082	3.4
166.08665	3.2
167.07037	100.0
172.05159	1.2
173.05984	27.4
174.06822	1.2
175.03893	1.1
175.07507	2.2
176.04701	2.3
177.05533	0.5
179.07079	0.5
181.04953	5.8
181.06418	0.4
182.15393	8.5
182.19147	0.4
184.05186	2.3
185.05911	0.5
188.53697	0.4
189.05432	0.5
189.09218	0.8
190.06245	15.0
191.07033	11.3
191.08492	0.5
192.07813	1.8
192.13777	0.4
193.08591	2.0
200.04604	0.4
201.05444	3.0
202.06245	3.4
202.07913	0.6
203.07040	1.2
205.06706	0.9
205.08594	22.1
207.06451	0.5
207.08345	0.7
207.10042	2.7
208.06088	0.5
208.08806	0.7
209.16467	5.2
209.19643	0.5
210.14909	10.1
217.08594	27.6
218.05562	0.6
218.07361	0.6
219.08078	2.2
221.06050	0.6
222.06895	0.4
222.11220	0.7
226.19093	0.7
227.17474	0.9
229.04945	0.5
231.06511	3.5
233.07903	3.0
234.06760	0.8
235.07867	1.3
235.09659	36.5
236.08276	1.9
237.09212	0.8
246.06848	0.5
247.07585	1.6
248.08734	0.7
249.05569	0.7
249.09155	0.6
251.10812	1.0
260.09134	0.7
261.07608	0.9
263.07156	1.2
264.07849	4.1
265.08685	1.0
267.10220	0.7
277.08588	0.5
278.09744	0.6
279.10190	3.9
281.08206	0.8
282.08972	0.5
283.09763	0.5
293.08109	0.7
296.10248	0.9
307.09637	7.4
309.07736	0.8
311.09677	0.5
311.12799	2.0
319.11746	4.6
323.09470	0.5
325.10709	2.0
326.28088	1.3
328.11865	0.8
331.11450	1.0
337.10852	0.6
339.12225	3.9
340.12903	0.6
341.10303	0.5
343.11691	0.8
343.30911	1.0
344.12543	1.1
356.12524	1.1
357.13263	0.8
368.14966	6.1
369.13345	1.4
370.16580	3.4
371.14908	12.6
380.15332	0.5
385.13019	0.7
390.28363	0.5
397.12869	1.0
398.15991	6.4
415.14114	0.8
453.34088	0.6
534.21307	1.2
534.43671	0.8
552.22333	9.7
552.44867	36.6
559.31201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
57.06416	0.4
62.63997	0.4
64.98334	0.3
65.03940	0.9
67.05496	0.7
67.27290	0.4
69.03426	0.5
69.07059	0.7
70.06596	0.7
70.60541	0.4
70.60857	0.6
71.04984	0.4
77.03916	0.6
78.04716	2.1
79.05500	3.0
81.03420	49.8
81.07061	1.0
85.02899	0.7
87.90353	0.4
89.80534	0.4
91.05494	6.6
92.45644	0.4
93.07053	5.8
95.04956	2.0
97.06542	0.8
98.21436	0.4
102.04673	0.8
103.04807	0.5
103.05467	7.1
104.07090	0.6
105.04521	0.9
105.07037	3.6
106.04161	1.5
107.04955	8.3
107.08595	0.6
109.06522	0.9
115.05462	9.1
117.07019	13.9
118.04166	1.9
119.04976	0.9
119.08579	0.9
120.05719	0.4
121.06506	34.4
122.03636	0.5
123.04436	5.7
124.05215	2.2
127.05386	0.8
128.06200	1.2
129.07025	1.7
130.04144	2.0
131.04939	3.1
132.05771	0.6
133.06479	3.1
135.04382	0.6
137.05963	1.4
138.09152	1.2
138.20103	0.4
140.04691	0.8
143.04910	1.4
144.05746	0.7
145.06488	21.2
146.06059	0.6
146.07307	0.6
147.04413	1.3
147.08087	2.2
148.05135	0.6
151.03891	0.8
152.04741	2.1
153.05508	2.2
153.06635	0.4
155.06003	5.7
155.06964	0.5
156.05690	5.2
157.06476	1.0
158.03642	0.4
159.04410	0.4
160.05206	1.2
161.05974	3.4
164.07079	3.2
167.07045	100.0
168.91872	0.4
172.05223	1.2
173.05986	27.4
174.06749	0.9
175.04001	0.6
175.07547	2.0
176.04671	1.7
179.07045	0.8
181.04950	5.8
181.06476	0.4
184.05211	1.8
189.05536	0.6
190.06248	16.3
191.07034	10.1
191.08597	0.5
192.07829	1.7
193.08586	2.3
200.04720	0.5
201.05446	2.9
202.06216	4.7
203.07018	1.1
205.08601	23.0
207.08121	0.9
207.10197	2.6
208.06013	0.7
208.08827	0.6
210.07590	0.5
211.07578	0.5
216.10208	0.8
217.08609	26.8
219.08093	1.3
221.05969	0.6
221.07985	0.5
222.11240	0.7
223.09523	0.9
231.06494	3.2
233.07988	2.2
235.07648	1.5
235.09657	37.1
247.07422	1.0
248.09006	0.7
249.05513	0.6
249.09016	0.7
251.07077	0.5
251.10620	0.9
261.07526	0.8
262.06274	0.6
263.07089	0.6
264.07843	2.8
265.08731	1.1
278.10156	0.6
279.10239	1.8
281.08051	0.8
292.07251	0.5
293.08167	0.6
294.08981	0.5
295.09760	0.5
296.10547	0.6
307.09692	3.3
311.12833	0.9
319.11819	3.9
323.09097	0.6
325.10599	1.2
328.11813	1.5
331.11673	0.8
337.11002	0.7
337.20337	0.6
339.12283	2.2
343.11703	0.5
344.12573	0.8
354.26297	0.5
355.21179	0.6
356.12521	0.5
357.13165	0.7
368.15009	4.6
369.13205	1.7
370.16541	3.6
371.14938	11.2
380.15173	0.5
385.12683	0.8
397.12769	0.7
398.15973	7.1
399.94174	0.4
414.15988	0.5
415.13855	1.3
416.16986	0.8
522.21411	0.5
534.21027	1.0
552.22382	9.4
552.30817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.62765	0.7
55.01870	1.5
61.02914	2.1
69.03426	4.4
69.72572	1.5
69.72972	4.6
70.06585	1.6
79.05486	1.3
79.88002	0.8
81.03434	1.2
85.02909	16.1
89.03908	1.6
91.03935	1.0
95.01365	1.9
97.02904	4.1
98.20754	1.2
99.04461	0.9
107.04966	1.7
117.03402	2.8
123.04462	2.1
125.69054	0.8
127.03945	2.2
131.04953	1.3
135.04422	9.3
138.03157	1.9
139.03911	3.1
141.01859	1.0
145.02853	7.3
145.04996	2.9
147.04462	4.6
149.02370	3.4
149.05952	0.9
153.05475	100.0
159.04457	1.5
161.06000	1.0
163.03914	99.5
171.04251	0.8
173.05923	0.8
175.03899	3.3
177.01836	4.7
177.03952	1.9
177.05452	1.7
181.04977	4.4
187.03963	1.7
189.05482	2.7
191.03444	1.7
195.06543	59.1
201.05399	1.0
203.03410	53.0
205.04973	6.0
213.05510	2.0
215.03374	7.9
217.05061	1.1
219.03023	1.0
221.04364	1.1
229.05002	2.1
231.02876	6.0
233.04477	5.7
235.06041	1.5
249.57077	0.8
257.04510	1.6
259.06039	1.4
261.03918	8.6
275.05511	2.9
279.05045	13.1
291.05005	13.5
303.04953	2.8
321.06055	10.7
339.07132	81.2
370.99832	1.0
371.09796	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	550.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01867	2.4
55.05514	14.6
57.03443	9.6
57.07088	2.0
65.03943	1.4
67.05509	31.5
69.07072	10.9
69.36150	4.9
69.36579	6.6
71.04997	2.4
79.05500	37.9
81.03442	2.7
81.07063	33.6
83.04974	2.7
83.08614	8.6
85.06532	2.7
91.05481	18.2
93.07053	46.7
95.04980	6.5
95.08607	35.4
97.02888	1.6
97.06516	4.9
99.04452	2.3
99.08119	1.9
100.03463	1.4
104.10707	1.8
105.07044	10.2
107.04948	6.8
107.08607	19.1
109.10160	5.5
109.55303	1.3
117.07031	7.6
119.08618	9.3
121.06533	1.8
121.10145	18.8
123.11763	1.8
130.07796	1.7
131.08572	4.1
133.10150	6.6
135.08156	1.7
135.11687	28.1
145.10138	20.0
147.11685	2.5
149.13254	1.8
159.11682	3.2
163.11189	27.3
164.04306	1.5
179.14403	2.1
181.12233	5.2
184.07384	3.1
211.89684	1.4
215.17987	4.6
227.12782	41.3
233.18990	5.7
267.16095	1.7
283.15393	33.0
290.37900	1.3
307.22684	100.0
448.13696	1.7
515.33698	47.9
532.37927	2.5
550.41559	5.4
553.02673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
53.79033	1.1
55.01864	2.6
55.05503	1.1
69.07053	1.5
70.06590	7.9
71.04983	1.6
71.51688	2.3
72.08144	4.3
79.05499	10.3
81.03413	5.1
84.04507	2.8
84.08136	3.7
85.02904	6.0
86.09689	3.9
89.03881	1.4
90.04717	1.3
91.05473	8.4
95.04969	3.0
99.04456	5.6
103.05472	18.9
105.04491	1.6
105.07036	68.2
107.04945	8.5
107.08598	1.8
108.05259	2.1
109.10175	1.8
115.05457	16.0
117.06996	2.1
117.99778	1.4
118.04169	10.7
119.04939	6.0
120.08097	3.1
129.10211	2.8
131.04935	15.7
132.05748	1.5
133.06497	54.9
133.10123	1.4
135.08017	1.4
136.07584	3.7
137.05965	3.7
137.09615	5.5
138.10008	1.7
139.03897	1.3
143.04961	1.9
143.06041	5.1
144.04393	1.2
145.04863	1.7
147.04442	5.9
148.05159	7.6
149.05972	1.6
158.80090	1.5
161.05989	100.0
162.05496	3.9
163.06218	2.0
163.07524	13.5
167.07051	6.5
168.07428	2.4
173.05962	2.1
179.06960	3.0
183.13712	1.5
191.07025	65.4
193.08612	43.8
201.05452	2.4
202.06148	1.7
205.20688	1.2
207.13756	1.7
217.08611	5.8
218.08937	4.0
227.16510	6.3
231.06374	1.5
264.07816	2.4
265.07840	1.4
279.10178	1.2
280.10605	1.5
287.05322	1.8
307.09613	2.2
308.09851	2.6
310.79803	1.4
371.14975	1.7
372.15555	1.4
378.13315	1.6
379.14075	2.1
397.14673	1.6
533.57568	1.5
551.20160	2.5
551.29114	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01875	8.1
55.05516	19.8
57.03441	13.0
57.07080	5.2
65.03938	6.7
67.05507	100.0
69.03426	2.6
69.07069	34.2
69.27560	22.2
71.04997	13.3
71.08636	3.7
74.63994	2.5
78.63251	2.1
79.05496	57.2
81.03424	21.5
81.07062	72.5
83.04982	8.6
83.08627	10.5
85.06525	5.6
91.05484	58.3
91.06025	4.5
93.07050	66.7
95.04993	8.6
95.07997	3.5
95.08607	65.6
97.06557	14.2
97.10194	3.7
99.08086	3.2
105.07043	41.4
107.04961	3.3
107.08604	36.0
109.06526	6.6
109.10163	72.4
111.08072	6.6
115.05449	2.8
117.07054	17.5
119.08586	40.9
121.06485	6.3
121.10164	28.2
123.08071	7.6
123.11713	6.9
125.06003	2.8
125.09635	5.0
129.07022	11.3
130.07733	2.6
131.08553	23.3
133.04871	2.8
133.06520	2.8
133.10129	29.7
135.08063	7.1
135.11713	12.4
137.09624	18.1
140.56976	2.2
141.07045	3.4
143.07045	4.4
143.08563	15.7
144.15131	2.6
145.10135	26.7
147.08037	6.6
147.11670	15.7
149.09613	9.8
149.13264	5.7
151.11201	5.6
155.08566	7.2
157.10152	9.3
159.11699	13.1
161.08096	2.9
161.13275	10.8
163.11272	2.8
163.14783	2.5
165.09152	7.0
167.10707	4.5
169.10153	7.3
169.12325	3.6
171.11700	10.9
173.11960	2.5
173.13329	11.2
175.11240	4.6
175.14813	4.9
177.12743	3.6
181.10017	3.5
183.11707	5.1
184.07346	10.1
185.13261	9.4
187.14850	6.9
189.16411	3.2
195.11723	4.5
197.11748	2.7
197.13403	6.6
199.09705	8.4
199.14853	5.9
201.16422	2.8
209.13257	5.3
211.13167	4.2
213.16582	3.7
223.14789	3.4
225.16464	2.9
227.14288	2.5
229.14323	5.4
239.12714	15.0
253.14252	2.8
259.17056	2.8
261.22205	9.3
271.20523	3.3
279.23254	3.4
285.22003	4.3
287.23837	3.8
289.21600	5.5
301.25381	4.8
303.23111	3.6
322.90411	2.9
333.24234	4.8
335.25906	9.5
346.79062	2.5
363.25159	11.8
389.28415	5.6
389.76132	3.5
401.26874	6.9
407.24438	5.0
407.29416	17.8
425.30652	18.5
443.31961	3.3
445.30194	2.9
455.68649	2.5
481.33188	8.8
499.34183	68.3
517.35248	62.9
531.36792	21.0
549.38153	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	547.4002
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03944	4.9
55.01874	2.2
55.05517	16.9
57.03432	7.1
57.07067	3.4
65.03954	1.7
67.05511	48.7
69.07084	20.2
71.04999	3.6
71.08646	2.3
71.52826	2.7
79.05503	28.9
81.03421	3.4
81.07069	58.5
83.04987	4.1
83.08630	12.2
85.06554	3.6
91.05498	26.4
93.07053	37.5
95.04997	4.8
95.08619	39.6
95.09181	3.0
97.06559	4.2
97.10200	5.4
105.07043	28.6
107.04955	2.9
107.08606	23.3
109.06522	2.2
109.10151	15.9
109.60742	1.6
111.08102	4.6
117.07022	11.1
119.08595	26.7
121.06512	2.6
121.10155	18.1
123.08063	2.1
123.11696	8.6
125.09708	3.4
129.07033	7.4
131.08595	20.3
133.10144	17.3
135.08128	2.0
135.11700	10.7
141.06975	2.8
143.08652	9.4
145.10121	19.7
146.02643	1.6
146.43552	2.0
147.11716	13.9
149.09703	3.8
149.13295	6.6
155.08583	4.5
157.10133	8.6
159.11740	12.3
161.13313	5.8
163.11185	2.6
163.14822	3.3
167.08707	2.1
169.10133	3.5
171.11740	7.5
173.11946	1.6
173.13307	7.3
175.11137	2.3
175.14915	4.9
175.91913	2.0
177.12743	2.5
181.10153	2.9
183.11743	4.0
185.13361	4.5
187.14856	4.0
195.11758	2.7
195.14006	1.9
197.13367	3.0
199.14873	3.6
201.16489	4.1
211.14946	3.7
213.16486	2.7
215.17961	3.1
223.14977	2.1
225.16373	2.3
227.12845	4.5
237.16394	1.7
241.19366	1.8
243.21017	1.9
254.23907	1.7
261.22290	2.4
264.36511	1.7
267.16086	4.4
267.21140	1.8
269.17542	5.7
279.23273	4.8
289.21829	2.0
301.25262	2.6
325.25464	2.4
335.25952	6.4
400.56323	2.1
419.33206	3.5
427.35840	2.9
437.34207	19.9
455.35077	15.4
473.36322	17.3
485.36548	2.7
503.37567	5.0
511.38052	5.9
529.38959	100.0
547.40045	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.124
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	1.3
54.90593	0.2
55.01869	1.4
55.05497	0.2
56.81977	0.1
57.03437	1.0
61.02929	0.9
62.41640	0.2
67.01843	0.2
67.05492	0.5
68.99781	0.5
69.03428	4.7
69.07065	0.2
70.05643	0.1
71.01337	0.3
71.04974	0.7
71.31740	0.3
73.02912	1.4
79.05484	0.5
81.03419	5.7
81.07049	0.5
85.02908	8.1
87.00832	3.4
87.04453	0.2
91.03938	0.5
91.05476	0.6
93.07041	0.3
95.04952	0.4
95.08608	0.4
97.02892	3.3
99.04440	1.7
105.01882	1.5
105.03371	0.2
105.07023	0.4
105.42348	0.1
107.04963	1.0
107.08600	0.2
109.02876	4.5
109.06508	0.2
115.03876	0.3
117.01854	0.9
117.07037	0.2
119.08572	0.5
121.02859	1.7
121.10139	0.2
123.04453	0.2
124.01620	0.2
125.02324	0.2
127.03919	5.8
129.01819	0.7
131.08565	0.2
133.02788	0.3
133.10133	0.3
135.11671	0.2
141.05527	0.3
145.04964	1.9
145.10121	0.2
147.02881	0.2
151.03909	0.5
158.83885	0.2
159.02895	2.9
159.11638	0.3
167.03410	2.2
177.03937	0.3
179.03366	0.8
197.04430	0.5
202.09059	0.2
212.04663	0.2
227.07065	0.7
231.04987	0.7
237.18349	0.2
241.04991	0.2
245.08076	0.2
255.06395	0.3
257.04425	0.3
258.05249	4.1
272.06799	0.7
273.07599	0.3
283.05963	0.2
286.04739	3.7
301.07062	100.0
302.07355	0.6
409.98026	0.2
473.53241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01862	9.2
55.05516	38.3
56.83923	2.8
57.03434	13.2
57.07059	4.5
59.04977	3.7
67.05505	82.3
69.03430	3.5
69.07065	29.6
71.04993	17.3
71.14824	2.4
71.53408	3.2
74.05532	2.7
79.05080	5.0
79.05499	68.4
81.03413	25.8
81.06593	5.3
81.07058	100.0
83.04958	9.4
83.08633	22.9
85.06531	11.2
91.05486	61.9
93.06487	4.8
93.07053	85.2
95.04990	21.8
95.08610	64.3
97.06541	15.8
97.10146	16.5
99.08107	5.5
105.07033	54.6
107.04973	5.4
107.08596	43.2
108.19144	2.2
109.06499	12.2
109.07181	2.5
109.10150	30.9
111.08071	5.9
115.05413	3.3
117.07019	28.9
119.08596	49.8
121.06465	3.6
121.09480	3.3
121.10164	39.8
121.45396	3.1
123.08062	9.4
123.11723	9.4
125.09635	20.1
128.06226	5.4
129.06989	16.7
129.48103	2.5
130.07782	3.7
131.08568	41.0
133.10138	41.4
135.08058	8.8
135.11673	23.1
137.09608	6.6
137.13345	3.0
139.11227	3.1
141.06975	6.8
142.07813	4.2
143.08545	19.4
144.09320	2.7
145.10132	40.0
146.15706	2.7
147.08022	3.9
147.11690	34.0
149.09628	10.3
149.13281	11.9
153.09122	5.4
155.08553	10.6
157.10129	21.2
159.11708	25.8
161.09589	4.8
161.13268	19.0
163.11247	6.9
165.12759	4.4
168.09311	2.8
169.10094	13.0
171.11650	16.8
173.13229	18.9
175.11215	5.8
175.14793	10.6
181.10196	5.5
183.11697	12.3
185.11758	3.7
185.13283	12.0
187.13329	2.8
187.14856	6.5
189.11205	10.9
189.16380	3.5
193.12234	9.9
195.11792	5.4
197.13272	9.2
199.14790	3.6
209.13249	6.6
211.14896	3.8
213.16447	4.7
215.17934	13.0
223.14838	5.0
225.16469	3.7
227.12756	12.0
227.18086	3.7
231.17445	6.0
233.13252	3.2
233.18922	13.6
255.21072	3.6
257.19052	4.4
259.20581	7.0
259.31012	2.9
261.18518	3.4
267.15942	20.4
273.22147	8.2
275.20010	4.4
287.20221	4.7
291.20840	3.4
307.22714	17.2
313.21814	3.5
315.23126	3.9
327.23099	3.2
335.22241	6.9
389.28378	9.2
401.92102	2.6
407.29327	20.0
417.20706	3.4
425.30402	14.3
443.31561	7.3
473.32373	3.4
481.33234	7.7
499.34119	78.2
517.28534	4.2
517.35333	56.2
531.37054	24.7
549.38666	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	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.2
53.03953	6.5
55.01881	6.3
55.05517	42.3
57.03191	1.4
57.03444	16.1
57.07083	8.4
59.05006	0.9
62.69096	0.9
64.30364	0.7
65.03943	3.4
67.05510	84.5
69.03434	3.6
69.07074	31.4
71.05001	6.2
71.08629	3.9
72.04521	7.4
77.03924	1.4
79.05499	47.1
80.85049	1.0
81.03424	62.4
81.07063	86.9
82.07406	1.2
83.04995	6.9
83.08624	33.8
85.02900	2.4
85.06521	4.5
85.10194	1.6
87.04506	0.8
91.05488	37.6
93.07052	43.3
95.04978	36.1
95.08617	58.9
96.08911	1.3
97.02902	2.0
97.06542	9.9
97.10175	20.8
99.08100	3.1
103.05497	1.1
105.04546	1.5
105.07044	31.8
107.04955	9.0
107.08602	29.3
107.09309	1.7
109.06529	6.0
109.10171	27.6
111.04449	1.5
111.08093	9.0
111.11757	2.4
113.06001	1.1
113.09656	1.0
115.05466	1.9
117.07028	9.3
119.04945	1.2
119.08590	26.5
121.06541	9.1
121.10149	18.4
123.04462	1.6
123.08080	3.4
123.11714	10.0
125.09634	12.2
128.06259	1.5
129.06998	9.1
131.08577	19.5
133.06511	4.2
133.10141	17.4
133.50856	0.8
135.08080	3.3
135.11696	12.2
137.09666	3.6
137.13300	3.4
139.11192	1.2
141.07021	1.8
142.07803	2.1
143.08588	4.4
145.10146	11.4
147.08125	4.1
147.11707	13.9
149.09616	4.8
149.13246	5.5
151.11224	2.6
151.14844	2.4
153.09137	1.6
153.12715	1.1
155.08606	2.5
157.10133	10.3
159.08070	1.4
159.11687	6.3
161.09651	1.7
161.13254	7.5
163.11180	6.9
163.14816	5.2
165.12770	2.6
165.16504	1.5
169.10201	2.2
171.10291	0.9
171.11742	2.6
173.13304	3.5
175.11171	6.5
175.14839	4.6
177.12827	3.3
177.16425	1.4
179.14240	1.1
183.11740	1.8
185.13309	2.1
187.13362	1.1
187.14870	3.5
189.11243	5.9
189.12744	1.3
189.16441	2.6
191.14372	2.0
193.12260	24.9
195.11766	1.1
197.13351	1.9
199.14915	2.0
201.16449	1.1
203.14397	1.4
203.18054	1.5
205.12296	2.3
205.15930	0.9
211.13243	4.8
213.12878	1.4
213.16599	1.3
214.17070	0.8
223.13251	1.7
227.10727	0.8
227.12779	12.0
228.13144	1.5
233.15518	0.9
241.18042	3.0
243.15923	1.0
245.22690	6.2
249.14806	4.6
255.19444	2.1
263.23749	8.2
267.15933	58.7
269.23019	1.1
275.20120	2.9
275.23264	0.9
279.16061	1.1
285.25909	1.4
287.23773	2.9
289.21643	3.4
301.25247	2.0
303.26797	12.4
305.24811	1.4
317.24805	1.2
319.26462	1.3
329.21188	1.1
329.24744	1.1
337.27396	49.1
341.19260	1.0
343.26489	1.8
349.23795	1.6
357.28046	1.2
361.27490	2.1
363.25351	2.4
397.25656	1.4
403.24609	1.0
419.33200	1.5
421.25977	2.8
427.35944	1.8
435.27524	2.5
437.34180	6.3
455.35245	20.7
473.36270	13.8
491.37296	1.2
503.37097	1.6
511.37939	2.5
529.38928	82.6
530.39258	1.1
547.39966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.6
55.01868	11.3
55.05513	36.4
57.03434	13.2
57.07088	3.4
65.03937	5.7
67.05510	100.0
69.03426	7.9
69.07073	58.9
71.05006	16.8
71.47911	3.3
71.52811	4.9
75.94287	2.7
79.05074	5.4
79.05501	86.1
81.03422	19.7
81.07061	86.2
83.05002	8.1
83.08615	14.6
85.06580	7.0
86.92995	3.0
91.05489	81.3
91.06030	6.3
93.07049	87.2
95.04964	13.9
95.08616	86.1
97.06534	30.7
97.10181	9.2
98.39363	3.0
99.08099	10.9
103.05470	3.8
105.07036	67.1
106.07392	3.4
107.04965	11.9
107.08605	37.1
109.06521	11.8
109.10175	26.4
111.08099	10.7
113.05984	3.6
115.05450	6.3
117.07032	39.4
119.08582	58.0
121.06513	13.0
121.10167	35.6
123.08087	18.0
123.11694	5.0
125.06004	6.5
125.09623	8.0
127.07599	3.2
128.06221	7.9
129.07014	29.6
129.70306	2.9
131.08568	47.6
133.06494	4.3
133.10133	35.1
135.08047	12.6
135.11690	15.4
137.09622	11.1
139.07564	6.2
141.06998	10.1
142.07715	5.0
143.07063	14.6
143.08574	27.7
145.06621	3.4
145.10132	40.0
147.08037	7.3
147.11705	20.5
149.09630	12.3
149.13248	4.4
151.11185	5.7
155.08578	20.9
156.09363	3.7
157.10147	31.7
157.45088	3.2
159.08099	4.0
159.11694	33.3
161.08322	3.2
161.09625	9.4
161.13281	9.6
163.11183	6.9
165.09097	8.5
167.08652	6.6
169.10098	20.4
171.11676	28.2
173.09633	6.6
173.13268	22.0
175.11169	5.8
175.14821	6.1
177.12770	3.4
179.08643	6.3
179.14145	3.3
181.10141	14.7
182.10881	3.6
183.11720	18.9
185.09630	7.3
185.13260	15.8
187.11201	6.4
187.14864	11.7
187.68416	3.3
189.11253	3.5
189.12825	6.0
193.10168	4.5
195.11754	17.3
197.13177	16.1
199.09663	12.5
199.11317	3.7
199.14821	10.2
201.16388	6.3
205.12141	4.5
207.11665	5.7
207.13719	3.5
209.13271	10.7
211.11165	4.6
211.13101	4.2
211.14873	10.8
213.12869	3.9
213.16370	3.9
217.15790	4.6
223.11351	3.6
223.14864	11.4
225.16396	5.7
227.14459	5.2
231.17610	3.6
235.14847	6.8
239.12709	4.2
241.19429	3.6
255.12326	4.5
257.19043	4.9
259.20599	5.2
267.15997	4.0
267.21158	3.3
271.20422	4.7
275.20111	10.9
283.20660	4.4
285.22110	8.1
287.20111	3.4
291.19617	3.9
299.20322	4.4
299.23810	8.8
303.19809	3.4
307.20404	3.4
343.22748	4.1
371.26044	4.7
377.28439	4.6
387.26645	7.3
393.22693	9.7
395.24539	3.9
395.29398	6.3
399.25085	7.8
405.27908	33.0
423.28970	13.5
437.30838	4.1
441.30124	5.1
455.31573	3.8
471.31158	7.3
479.31534	12.3
489.32144	34.4
497.32559	82.3
504.28180	3.5
511.34268	5.0
515.33759	88.0
529.35602	34.3
547.36780	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
54.12103	0.6
55.01854	2.8
55.05512	17.6
57.03439	4.0
57.07058	2.7
62.37849	0.6
65.03925	3.2
67.05505	63.9
69.03413	1.3
69.07068	18.4
71.01342	0.7
71.05007	3.6
71.08632	29.8
72.21268	0.6
73.42160	0.7
74.29883	0.5
74.31171	0.7
77.03921	0.8
78.91346	0.7
79.05495	52.5
81.03422	6.4
81.07058	80.2
83.04556	0.9
83.04981	10.5
83.08630	13.7
85.06525	2.4
85.54133	0.6
91.05480	37.5
93.07044	68.7
95.04971	9.2
95.08608	36.2
97.06522	10.2
97.10172	3.4
99.08091	18.6
105.04506	1.9
105.06321	0.8
105.07033	20.6
107.04949	8.5
107.08595	37.2
109.06532	3.3
109.10159	11.3
111.08101	3.6
113.06007	0.8
113.09637	3.3
117.07016	8.1
119.08575	15.0
121.06498	2.0
121.10142	28.3
123.08068	1.4
123.11691	3.1
125.09626	2.2
127.11195	0.8
129.06976	2.7
131.08569	9.4
133.06494	1.0
133.10126	14.7
135.08076	1.4
135.11691	31.7
137.09601	2.9
141.09096	3.2
143.08574	2.4
145.10103	4.4
147.08037	0.9
147.11708	6.4
149.09590	2.0
149.13257	16.7
151.11192	11.4
153.12737	0.8
157.10097	2.1
159.11676	6.5
161.09641	0.7
161.13254	12.1
163.11191	5.7
163.14796	1.6
165.12726	1.4
167.10667	2.4
171.11688	2.4
173.13258	1.8
175.14774	2.0
177.12747	4.6
179.14311	94.9
180.14807	0.7
181.12201	0.8
185.13266	2.1
189.12729	2.2
193.12218	1.1
195.13817	5.0
199.14787	0.8
203.14381	1.0
211.13100	0.9
221.15419	2.0
227.12860	0.9
229.24609	0.6
235.16971	4.9
241.19511	1.6
251.16406	5.5
259.20648	3.5
267.16199	0.8
267.41214	0.8
269.17526	1.3
277.21628	66.3
295.22638	6.3
351.25348	2.3
448.58405	0.7
527.37109	1.7
545.38373	100.0
546.38538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05511	6.4
57.03430	4.4
57.07066	1.8
67.05508	11.3
69.07076	7.2
70.65009	3.3
71.05003	1.6
71.08620	3.8
79.05492	8.2
81.03392	2.2
81.07063	14.2
83.04998	2.2
83.08612	4.4
85.02905	1.5
85.06504	1.2
91.05487	10.5
93.07050	9.2
95.04978	2.6
95.08614	9.3
97.06531	3.8
97.10161	2.4
98.98458	2.6
99.08080	2.1
105.07036	8.3
107.08596	9.2
109.06526	5.8
109.10171	5.3
111.08050	2.3
115.68115	0.9
117.06986	2.0
119.08572	11.0
121.06567	1.7
121.10162	6.1
123.08078	12.0
123.11679	2.9
125.09654	1.6
131.08565	3.3
133.10158	8.6
135.08055	7.5
135.11694	3.1
137.09624	2.3
145.10129	4.1
147.11688	6.5
149.09622	3.5
149.13203	1.9
151.11232	1.6
157.10077	1.1
159.11678	3.5
161.09662	1.8
161.13234	2.1
165.12701	1.5
167.14265	1.3
173.13327	1.7
175.14832	4.0
177.12675	2.4
177.16418	1.3
179.14330	20.6
179.78394	1.0
189.16476	1.0
193.12222	1.3
193.15895	1.4
201.16298	1.4
205.15883	3.2
206.29092	1.3
216.06404	1.4
229.14267	1.4
263.20050	1.8
267.15961	3.1
285.16776	1.0
289.21701	6.0
293.21027	2.2
303.26807	1.4
313.15622	1.0
331.26364	11.9
349.27444	5.7
374.30270	1.6
387.28812	4.2
400.55899	1.1
405.30023	100.0
433.05191	0.9
485.25674	1.5
503.27811	6.4
530.72516	1.2
546.31573	2.3
546.39063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01875	26.4
55.05510	35.4
55.86321	1.8
57.03433	13.6
61.55059	1.7
65.03941	4.6
66.21013	1.7
67.05503	54.6
67.05840	3.6
69.03417	9.3
69.07073	37.8
69.18724	17.3
71.04993	9.1
73.02935	2.8
74.92712	1.8
77.03922	2.0
79.05494	70.5
81.03419	100.0
81.07058	93.8
83.04983	19.3
83.08620	19.8
85.02925	7.8
85.06553	3.9
91.05482	65.8
93.07045	42.6
95.04968	31.5
95.08615	33.7
95.09188	3.1
96.75773	1.7
97.02889	5.3
97.06527	22.4
97.10173	20.9
98.21465	4.1
99.04411	2.7
99.08113	5.5
101.02425	2.1
103.05502	2.9
105.04513	2.5
105.07027	34.9
107.04976	19.9
107.08586	31.8
109.02915	3.1
109.06530	22.1
109.10149	26.4
111.04444	11.4
111.08073	11.0
115.05469	3.8
115.07592	3.4
116.35188	1.8
117.07037	19.9
119.04942	3.3
119.08584	43.5
119.09376	2.9
120.08135	2.7
121.06493	19.2
121.10156	16.6
123.04427	4.8
123.08076	24.0
123.11705	4.3
125.06041	6.7
125.09623	19.7
127.04008	3.2
128.06281	5.2
129.07024	21.1
131.04971	6.3
131.08559	19.8
133.06462	9.3
133.10158	13.9
135.08076	19.0
135.11690	9.9
137.09622	22.2
141.07039	7.5
142.07814	3.7
143.07079	10.0
143.08578	12.4
145.06497	11.5
145.10106	19.2
147.04472	5.2
147.08063	18.2
147.11748	8.0
149.09631	12.7
149.13354	2.7
153.07080	3.6
153.09085	11.9
153.12839	6.4
155.08607	6.9
157.06509	4.3
157.10121	11.3
159.08147	8.2
159.11685	9.6
161.06033	6.4
161.09677	7.7
161.13306	5.1
163.07590	2.3
163.11160	13.9
165.09116	17.5
167.08582	2.8
169.10213	6.5
171.08070	4.8
171.10402	2.3
171.11772	6.4
173.06068	3.7
173.09663	10.5
173.11845	3.0
173.13327	3.6
175.07620	2.3
175.11287	8.7
177.09190	3.7
177.12730	2.5
179.08594	2.2
181.06691	2.2
181.08604	2.8
181.10193	3.8
181.12315	7.3
183.08093	3.7
183.11742	5.4
184.07323	2.4
185.09689	5.8
185.13383	5.8
187.07703	2.8
187.11151	9.0
189.05473	3.3
189.09679	3.0
189.11311	13.4
189.12769	4.0
191.10660	14.9
193.12337	7.9
195.11775	3.6
197.09676	3.5
197.13319	4.3
199.07565	3.3
199.09590	2.8
199.11310	7.0
199.14848	2.4
201.09245	3.0
201.12820	5.7
201.16425	1.9
203.10797	4.3
205.12234	3.3
209.13394	2.9
211.11249	5.8
213.12773	4.5
213.18509	2.1
215.10725	2.0
217.15964	4.5
219.13898	8.2
221.13388	2.1
223.11278	4.2
223.13243	4.2
225.12810	2.0
227.10756	7.1
227.12868	9.6
227.14735	2.5
229.12300	3.4
229.14293	4.3
239.12781	22.5
241.12389	2.8
241.16087	2.3
245.15417	9.3
251.14314	2.2
253.12311	2.1
255.17574	2.7
263.16562	5.9
267.16147	8.4
269.15530	3.6
272.76981	2.0
273.15256	3.2
273.18640	14.4
275.20209	2.5
285.18631	2.1
287.16568	2.8
289.14587	2.1
291.19577	27.2
291.22415	2.1
301.14410	8.0
301.18085	6.5
303.19687	2.5
309.20886	2.4
311.20065	2.8
313.18134	7.2
319.19336	3.1
327.19678	4.4
329.21472	4.4
331.19205	2.6
337.20389	2.4
339.19580	4.0
341.21140	3.2
347.22403	3.4
357.20627	4.4
365.23495	7.9
375.22037	4.7
387.21829	4.0
405.22849	11.4
409.27554	2.7
419.25571	12.6
431.24426	4.5
437.26855	17.2
455.27960	13.6
473.29410	5.5
489.29089	3.8
511.30493	17.8
517.28265	3.0
529.31738	78.6
547.32983	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	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
55.01857	14.6
55.05516	52.4
57.03421	17.6
59.04979	3.9
65.03933	6.4
67.05509	100.0
69.03429	8.1
69.07079	38.2
69.42146	25.2
69.42554	7.8
71.04996	26.9
72.88094	3.7
79.05070	6.7
79.05495	88.4
81.03423	33.0
81.07056	87.8
83.04963	12.1
83.08629	21.8
85.02897	7.2
85.06522	11.4
91.05491	93.4
93.07045	67.6
95.04971	21.9
95.08609	66.2
97.02888	4.6
97.06531	17.3
97.10171	28.7
99.08115	8.2
105.07036	63.1
107.04963	18.9
107.08601	46.3
109.06496	17.2
109.10169	30.7
111.08054	6.4
115.05423	7.4
117.07005	32.2
119.08586	55.7
121.06496	12.2
121.10157	37.6
123.08060	16.5
123.11702	5.6
125.09679	21.0
128.06198	9.0
129.07018	36.5
130.07816	6.6
131.08583	46.9
133.06458	7.9
133.10130	33.2
135.08064	19.2
135.11700	18.0
137.09610	13.9
137.92253	4.2
141.06982	9.9
142.07744	7.9
143.08554	31.5
145.06503	8.1
145.10143	52.0
147.08025	16.2
147.11755	19.5
147.12675	3.8
149.09644	15.3
151.07518	4.6
155.08551	19.0
157.10168	28.8
159.08109	6.2
159.11693	31.4
161.02805	4.1
161.09601	12.3
161.13252	11.5
163.11186	12.2
165.07013	5.1
165.09100	11.7
165.12752	4.9
167.08571	8.5
169.10141	22.0
171.10349	4.9
171.11702	22.3
173.09636	10.1
173.13251	17.6
175.11200	11.7
177.12761	6.3
181.10092	13.0
183.11746	19.1
185.09576	4.8
185.13290	13.5
187.11264	6.3
189.11189	13.6
189.12727	4.8
191.10692	10.3
193.10098	5.1
195.11700	10.1
197.13232	5.9
199.11310	5.1
199.14935	5.2
201.12756	5.1
207.11743	7.9
209.13287	8.7
213.12889	4.9
219.11639	6.1
222.16676	4.0
225.12860	5.0
225.16568	7.7
227.12791	13.0
229.15956	5.3
231.17520	7.9
235.14883	7.1
237.16431	7.6
239.12575	9.2
253.19551	4.9
255.17474	4.9
267.16028	4.8
271.20541	14.3
273.18320	12.2
275.20102	9.3
291.19595	12.8
331.22766	5.2
339.56302	4.1
365.23413	6.3
387.26797	11.1
393.22781	9.1
405.27792	31.6
419.24869	5.4
423.29074	21.1
441.30124	6.8
471.31247	5.5
479.31635	7.4
489.32172	36.4
497.32681	70.4
511.30612	5.7
515.33765	76.1
529.31799	18.2
529.34662	18.7
547.37006	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
53.26756	0.8
55.01873	3.5
55.05513	20.5
57.03433	4.3
57.07068	3.3
65.03943	3.1
67.05507	60.8
69.03427	1.6
69.06694	0.8
69.07072	21.1
71.04992	3.7
71.08630	27.0
71.23236	1.7
71.23590	0.9
73.06478	0.9
77.03940	1.0
79.05495	55.6
81.03423	6.5
81.07058	76.0
83.04990	11.1
83.08617	12.2
85.06544	3.5
85.40999	0.8
91.05482	35.8
93.07047	68.4
95.04971	9.5
95.08607	32.4
97.06540	11.4
97.10168	4.9
99.08092	16.9
105.04530	2.4
105.07033	21.1
107.04953	7.0
107.08596	36.7
109.06541	2.6
109.10162	11.4
111.08104	5.7
113.09644	4.2
115.05463	1.5
117.07014	7.9
119.08596	14.5
121.06512	1.8
121.10143	30.4
123.08078	1.9
123.11711	3.3
125.09652	3.1
127.11234	0.7
129.07021	3.9
131.08562	9.9
133.10135	15.3
135.08092	1.8
135.11690	25.8
137.09590	1.9
139.11206	0.8
141.09134	4.6
143.08571	3.0
145.10094	3.6
147.08012	1.5
147.11702	5.3
149.09587	1.1
149.13264	18.3
151.11185	11.9
153.09012	1.0
157.10175	2.8
159.11691	7.1
161.13251	10.9
163.11185	4.9
163.14752	2.3
165.12747	1.5
167.10663	1.1
171.10080	0.7
171.11699	1.9
173.13318	1.4
175.14859	1.4
177.12727	6.0
179.14311	86.7
180.14664	1.0
181.12199	1.4
185.13278	1.7
189.11205	1.0
189.12785	1.4
195.13812	4.4
199.14911	1.9
203.37389	0.7
213.16588	1.1
221.15398	2.3
227.12827	2.3
234.33064	0.9
235.16991	4.3
239.73000	0.8
241.19774	1.0
251.16429	3.1
259.20441	3.7
277.21628	65.5
295.22653	6.1
301.25305	1.5
344.08542	0.8
351.25250	2.0
414.25476	0.7
439.63870	0.8
471.34851	1.3
513.25140	1.0
527.37598	4.8
545.38379	100.0
546.38477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.03942	5.1
55.01867	3.7
55.05512	25.6
57.03440	8.0
57.07074	2.7
65.03945	2.8
67.05510	55.6
69.03429	2.8
69.06730	1.4
69.07075	13.8
69.73882	2.4
69.74297	4.2
71.04993	4.5
71.08604	1.3
76.98385	1.0
79.05496	49.3
79.14941	1.0
81.02943	1.6
81.03423	31.7
81.07060	55.8
83.04990	9.1
83.08630	15.5
85.02910	14.6
85.06544	1.9
91.05487	40.4
93.07047	49.2
95.04975	17.1
95.08617	31.3
97.06510	4.8
97.10190	7.6
99.08092	2.1
105.04536	1.7
105.07040	30.5
107.04954	3.8
107.08602	23.8
109.06529	3.3
109.10155	12.1
111.04513	1.1
111.08086	5.8
113.06046	1.4
115.05466	1.7
117.07018	9.4
119.08591	21.6
121.06518	2.3
121.10144	19.7
123.08072	3.0
123.11727	4.4
125.09655	4.4
128.06224	1.5
129.07028	8.4
131.08575	20.4
133.06506	1.7
133.10149	15.1
135.08083	1.8
135.11713	10.2
137.09584	2.5
137.13261	1.1
142.07806	1.5
143.08594	5.0
145.10117	10.8
147.08054	2.7
147.11694	12.5
149.09628	4.4
149.13275	5.5
151.11211	1.3
154.07649	1.4
155.08598	1.3
157.10127	8.7
159.11685	6.8
161.13284	4.9
163.11264	2.2
165.12764	2.9
169.10158	2.9
171.11742	3.2
173.09682	1.1
173.13377	5.5
175.11214	6.5
175.14876	2.4
183.11743	1.8
185.13278	3.2
187.14873	3.4
189.11276	1.4
189.16286	1.1
193.12263	24.3
193.13889	2.0
195.11682	2.1
197.13379	1.9
199.15041	1.1
211.13286	27.0
218.33420	1.2
223.15056	1.2
227.12866	2.8
243.21107	1.4
261.22238	3.8
267.15961	7.4
278.75574	1.0
285.22076	2.1
300.43234	1.1
301.25427	3.3
315.23062	1.2
317.18103	1.2
335.25861	4.8
340.40475	1.1
417.31567	1.7
435.32501	5.6
453.33762	5.0
471.34705	4.4
509.36267	1.4
527.37292	23.3
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01871	4.5
55.05515	27.3
56.97725	1.0
57.03441	7.7
57.07073	2.7
65.03940	2.8
67.05509	51.1
69.03426	2.6
69.07072	14.4
69.86668	2.8
69.87085	3.1
70.27210	1.0
71.04982	2.2
79.05500	35.1
81.02991	1.9
81.03426	24.8
81.07061	48.8
83.05013	5.4
83.08624	17.8
85.02905	2.0
85.06535	2.1
91.05486	31.3
93.06485	2.2
93.07053	32.9
95.04984	16.4
95.08614	30.4
97.06532	3.8
97.10176	19.2
99.08079	2.4
105.04516	1.6
105.07034	26.7
107.04964	7.6
107.08593	22.7
109.06530	5.3
109.10157	21.0
111.08099	4.7
115.05460	1.8
117.07014	12.1
119.08592	24.1
121.06519	6.7
121.10156	14.1
123.08093	4.8
123.11725	7.7
125.09647	10.6
128.06248	1.2
129.07010	8.3
130.07837	1.1
131.08574	20.3
133.06512	1.9
133.10143	15.5
135.08098	6.1
135.11687	11.8
137.09608	2.7
137.13297	1.7
141.06984	1.3
142.07883	2.2
143.08569	7.0
145.06477	1.7
145.10121	15.0
147.08076	3.4
147.11699	12.5
149.09630	4.4
149.13243	6.2
151.11235	1.6
153.09114	1.1
155.08585	2.7
157.10175	8.2
158.09090	1.2
159.08049	2.5
159.11729	10.5
161.09668	2.7
161.13275	7.3
163.11205	3.0
163.14877	2.0
163.78432	1.1
165.12837	1.9
169.10144	3.5
171.10284	2.6
171.11722	4.0
173.11905	1.9
173.13260	8.2
175.11267	3.7
175.14822	3.2
177.12730	2.1
181.10214	1.3
183.11728	2.9
185.13315	4.9
187.14922	4.4
189.11244	7.4
193.12268	6.8
197.13326	2.8
199.14949	2.3
201.16455	2.0
205.12247	1.8
209.13254	2.1
227.12737	13.5
233.15257	2.5
243.21132	2.6
247.16960	1.5
261.22202	11.0
267.15927	22.3
283.24213	1.2
285.22189	2.3
287.20157	1.9
299.23709	3.1
301.21783	1.8
301.25241	17.1
303.23172	2.3
309.21158	1.2
317.24829	3.2
335.25830	21.3
357.28052	1.9
359.26166	2.0
421.25998	4.0
435.27530	2.3
435.32733	5.5
453.33560	12.0
471.34769	8.8
474.92645	1.2
509.36252	2.7
527.37329	56.7
545.38385	100.0
546.39514	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01871	5.0
55.05516	24.5
57.03447	9.1
57.07075	2.7
65.03943	2.4
66.74655	1.1
67.05510	55.1
69.03435	3.0
69.07076	14.8
70.09853	3.7
71.04980	2.1
71.08633	4.5
77.03925	1.1
79.05499	38.3
81.03424	25.6
81.07063	51.2
83.05006	6.0
83.08627	17.8
85.06547	3.5
91.05488	32.2
93.07051	38.5
93.07645	1.9
95.04979	15.9
95.08616	35.7
97.06531	3.4
97.10181	16.7
98.21400	1.6
99.08095	2.3
105.07038	28.2
107.04977	7.5
107.08595	23.4
109.06530	4.1
109.10163	22.0
111.08086	5.2
115.05487	1.7
117.07015	12.0
119.08595	22.9
121.06541	7.1
121.10149	17.6
123.08081	5.0
123.11709	7.8
125.09643	11.9
128.06248	2.2
129.06992	10.1
131.08578	22.4
133.06480	2.8
133.10162	17.6
135.08031	5.8
135.11699	10.7
137.09673	2.3
137.13264	1.8
141.07059	1.7
143.08517	6.1
145.10112	14.9
147.08022	2.9
147.11702	13.7
149.09624	4.3
149.13274	6.9
151.11200	1.8
155.08591	3.0
157.10144	9.6
159.11725	11.6
161.09659	2.8
161.13245	6.4
163.11188	3.3
163.14795	1.9
165.12761	2.2
169.10155	4.0
171.11671	3.5
173.09637	1.8
173.13293	8.3
175.11218	2.9
175.14877	4.1
177.12769	2.1
181.10216	1.8
183.11745	3.8
185.13289	5.1
187.14870	5.3
189.11255	7.4
189.12749	1.5
189.16513	1.3
193.12270	9.6
195.11758	1.3
197.13239	4.0
199.14890	2.7
201.16383	1.8
205.16060	1.3
209.13304	2.0
211.13341	3.2
227.12784	9.3
243.21124	2.6
247.16805	1.4
249.14801	2.0
261.22195	11.6
267.15933	20.1
273.22336	1.3
277.21677	2.8
285.22183	2.8
299.23865	2.7
301.25272	14.8
303.23337	2.4
317.24872	4.0
327.23373	1.4
335.25803	20.1
357.27914	1.3
359.25723	4.3
417.31467	1.7
421.26038	2.8
435.27533	2.0
435.32700	8.9
453.33667	11.9
471.34717	10.3
475.30786	1.5
509.36481	2.8
527.37366	60.7
545.38385	100.0
555.76093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
53.36939	1.3
55.01864	5.5
55.05516	28.6
57.03445	8.1
57.07076	1.8
59.05009	1.6
65.03939	3.8
67.05511	65.0
69.03434	2.5
69.07072	14.7
69.39127	1.2
69.51950	8.4
71.04989	3.4
74.44194	1.4
77.03914	1.9
79.05502	37.6
81.03426	29.3
81.07065	56.1
83.04971	5.7
83.08624	23.1
85.06565	3.6
85.77254	1.1
86.70222	1.3
91.05489	33.0
93.07054	39.5
95.04981	21.0
95.08619	38.6
97.06524	4.0
97.10178	19.9
105.04504	1.7
105.07037	28.6
107.04948	7.5
107.08601	26.7
109.06544	3.9
109.09476	2.0
109.10172	24.2
111.08096	5.2
115.05447	2.3
117.07024	13.0
119.08579	23.5
119.09371	1.8
121.06516	6.7
121.10149	19.7
123.08094	5.5
123.11721	7.8
125.09653	14.3
129.07008	9.5
130.07768	1.5
131.08577	20.4
133.06543	2.5
133.10152	20.6
135.08087	5.4
135.11703	12.0
137.09645	2.3
137.13272	2.5
141.07072	1.8
143.08562	7.8
145.06491	2.9
145.10139	18.3
147.08069	2.9
147.11697	11.5
149.09647	3.9
149.13260	7.3
151.11186	2.0
153.12784	1.7
155.08568	3.4
157.10141	8.7
159.11694	11.3
161.09692	2.1
161.13303	5.2
163.11218	3.7
163.14880	2.4
165.12732	1.5
166.95572	1.2
167.08548	1.5
169.10208	4.4
171.10223	2.4
171.11703	4.8
173.09622	1.4
173.13222	9.5
175.11235	4.3
175.14815	3.5
177.12704	2.2
183.11725	5.0
185.13307	5.3
187.13374	1.4
187.14764	5.9
189.11246	8.2
189.12743	2.4
193.12256	8.6
195.11832	1.6
197.13316	3.1
199.14874	3.6
201.16393	1.8
209.13284	1.6
211.13075	1.6
211.14912	2.0
213.12802	1.5
213.16446	2.3
217.15929	1.5
225.16405	1.4
227.12810	14.9
233.15536	2.0
243.21062	2.9
247.16971	3.1
249.18613	1.5
261.18570	2.5
261.22232	9.8
267.15915	26.1
277.21500	1.4
279.19458	1.2
279.23257	2.3
283.24063	1.4
285.22238	3.3
287.19855	2.4
296.20898	1.2
299.23660	2.7
301.21988	1.2
301.25272	15.3
317.24805	3.7
329.21289	1.8
335.25830	17.6
341.24911	2.1
345.24371	1.6
359.25964	2.1
375.10275	1.3
403.24725	2.5
410.17175	1.5
421.25906	3.5
435.27753	3.2
435.32764	7.2
445.51947	1.4
453.33823	13.1
471.34937	9.3
509.36365	3.6
527.37378	57.9
545.38409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03945	2.9
55.01868	3.7
55.05270	1.2
55.05515	17.6
57.03426	3.7
57.07079	1.8
62.81669	0.7
65.03934	1.8
67.05507	27.1
69.03423	2.1
69.07079	9.6
70.22949	3.6
71.04993	3.1
79.05495	21.9
81.03421	7.1
81.06593	1.5
81.07059	27.8
83.04977	3.5
83.08624	10.1
85.02889	1.4
85.06533	3.0
91.04907	1.2
91.05481	22.0
91.06032	1.8
93.07050	19.8
95.04984	7.4
95.08606	15.5
97.06534	3.5
97.10172	9.7
99.08105	1.1
101.06036	0.9
103.05402	0.9
103.60979	0.9
105.07038	20.0
107.04972	3.6
107.08598	13.3
109.06541	3.4
109.10164	9.6
111.08092	1.8
113.05984	1.5
115.05484	1.1
117.07027	11.3
119.08591	14.1
121.05672	0.8
121.06493	4.6
121.10170	6.1
123.08063	2.5
123.11663	2.1
125.09653	6.8
128.06219	2.7
129.07001	9.8
131.08575	16.2
133.06493	1.6
133.10127	10.4
134.40808	0.8
135.08078	6.1
135.11720	3.0
137.09645	1.4
141.06999	3.1
142.07770	3.1
143.08553	10.5
145.06483	2.1
145.10136	13.4
147.08067	3.2
147.11665	6.7
149.09628	2.8
149.13295	1.2
152.62354	0.8
154.07849	0.8
155.08597	5.4
157.06561	1.2
157.10156	10.6
159.08075	2.3
159.11684	10.7
161.09662	2.5
161.13231	2.7
163.11189	2.3
165.12759	1.1
167.08615	2.9
169.10094	6.0
171.08145	1.4
171.10376	1.4
171.11682	8.1
173.09662	3.0
173.11870	1.6
173.13217	6.7
175.11206	2.7
179.08592	0.8
181.10129	3.9
182.10989	1.1
183.11699	6.0
185.09627	1.8
185.13229	4.7
187.11214	2.8
187.14862	3.1
189.11223	3.2
189.12685	2.1
193.10210	1.0
193.12267	1.6
195.11723	3.3
197.13345	3.8
199.11227	1.7
199.14880	4.0
201.12790	2.4
201.16385	1.8
207.11691	1.1
209.13261	3.8
211.14845	2.1
213.12875	1.8
213.16512	1.0
215.14427	1.1
219.11653	0.9
223.14893	1.8
225.12862	1.0
225.16505	2.1
227.12691	4.2
229.14268	1.2
233.15399	1.3
247.17027	1.6
257.19131	1.0
259.20663	2.2
267.15805	2.1
271.99292	0.9
273.18710	1.1
275.20178	1.7
277.21814	0.9
283.20441	2.0
297.18820	1.1
297.22235	2.4
299.20367	1.6
299.23630	6.7
301.21765	1.1
311.19986	0.9
313.21667	1.3
315.23276	1.1
323.23557	0.9
327.23279	1.9
333.24228	1.6
334.04636	0.8
339.23178	1.9
360.56827	0.8
403.24829	1.5
415.30026	1.7
421.25937	1.7
423.32724	1.5
433.31183	6.5
435.27209	1.8
441.33282	1.1
451.32080	10.4
469.33145	5.6
487.34592	1.4
497.35992	0.9
507.34579	2.7
515.37793	1.0
525.27765	1.4
525.35754	27.1
543.36859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01869	2.7
55.05514	15.1
57.03442	3.6
57.07071	1.8
59.05009	0.8
65.03934	0.9
67.05508	25.2
68.34102	0.6
69.03423	1.4
69.07068	8.8
71.04984	2.6
71.08640	1.6
71.52361	0.9
79.05497	20.8
81.03426	7.9
81.06590	1.3
81.07058	22.2
83.04987	2.9
83.08621	9.4
85.06557	1.5
91.05486	20.8
93.07052	17.2
94.80058	0.5
95.04969	5.9
95.08614	14.1
96.72160	0.6
97.06537	2.5
97.10173	8.9
99.08094	1.2
105.07037	17.5
107.04977	2.7
107.08602	11.0
109.06531	2.7
109.10145	8.7
111.08087	2.0
115.05477	2.4
117.07022	11.6
119.05012	0.9
119.08584	14.0
121.06527	2.8
121.10166	6.4
123.08101	1.8
123.11701	1.9
125.09654	5.7
128.06245	2.6
129.07018	7.2
130.07800	1.1
131.08574	16.6
133.06511	1.1
133.10136	11.1
135.08046	3.3
135.11685	4.2
137.09615	1.1
141.06964	2.9
142.07788	1.8
143.01863	0.7
143.08569	9.0
144.09343	0.9
145.06480	2.2
145.10120	12.8
145.11162	0.9
147.08089	1.3
147.11713	5.9
149.09569	1.6
149.13289	1.8
151.11145	1.2
153.06956	1.1
154.07805	1.2
155.08560	5.9
156.09367	0.9
157.06551	1.0
157.10130	9.7
159.08076	3.4
159.11691	8.3
161.09637	1.8
161.13275	4.5
163.11200	2.5
165.12753	0.6
167.08578	2.5
168.09319	1.0
169.10143	6.3
171.08101	1.3
171.11710	6.6
173.09663	2.7
173.11900	1.1
173.13248	4.8
175.11240	1.8
175.14885	1.1
177.12735	0.8
179.14415	1.6
181.10100	3.5
183.08191	0.6
183.11725	5.0
185.09647	1.3
185.13237	3.8
187.11240	0.8
187.13373	0.7
187.14856	2.4
189.11270	2.4
191.14287	0.8
193.10307	1.0
193.12294	2.1
195.11761	3.3
196.12579	0.7
197.09723	0.8
197.13284	4.1
199.11176	1.9
199.14807	3.6
201.12843	0.9
201.16428	0.8
207.11650	1.0
209.13280	3.0
211.14824	2.0
213.12784	1.3
213.16409	1.6
215.18071	1.0
221.13405	1.3
223.14885	2.0
225.16541	1.2
227.12675	3.9
229.14259	1.0
233.13295	1.0
235.15045	0.8
239.18079	1.1
241.19519	1.1
245.05193	1.6
253.19557	1.2
259.20569	3.4
267.15643	3.2
271.16916	0.7
275.20236	2.4
277.21677	2.7
281.22769	0.7
283.17111	0.8
283.20584	1.7
297.22250	1.7
299.20377	1.2
299.23608	5.6
301.21558	1.7
311.20099	0.8
315.23312	1.2
325.21652	1.4
327.23175	0.8
333.24283	1.2
347.08212	0.8
353.24911	1.1
357.24280	1.2
371.25739	1.1
415.29965	2.2
421.25720	1.1
423.32544	0.7
433.30957	5.7
441.33627	0.7
451.32034	9.8
469.33206	5.8
487.34128	1.2
507.34732	1.5
515.37408	1.3
525.35791	21.9
543.36871	100.0
569.16010	1.7
571.45428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.2
69.07072	2.8
70.06580	4.8
70.29778	1.8
70.56808	5.5
72.08162	4.2
73.01092	1.7
76.33177	1.6
79.05472	5.4
80.04990	1.8
81.03410	5.1
81.07050	5.4
82.06568	2.3
83.08607	2.3
85.02876	2.9
86.09697	3.7
91.05459	5.1
93.07048	11.1
94.06587	8.0
95.04960	3.5
95.07369	12.2
95.08584	4.9
96.08146	24.7
97.06548	4.1
103.05437	2.2
107.08611	1.5
108.08136	17.7
109.10150	4.2
110.09691	46.6
120.08125	29.3
122.06012	1.7
124.07591	2.9
136.07594	17.0
138.05478	2.3
138.09148	53.4
146.06013	4.2
147.11604	1.7
148.07591	10.6
166.08649	100.0
183.15121	1.7
193.12212	7.2
211.08698	2.0
225.10211	5.9
227.08241	3.8
237.10271	14.0
239.08098	5.9
239.11826	3.7
241.09686	5.1
251.08154	3.9
252.09218	1.5
253.09685	16.6
255.07584	2.7
255.11293	3.1
264.08768	1.7
265.09766	26.4
266.10638	2.2
267.07703	4.4
267.11279	9.7
269.09201	2.6
279.07715	2.1
281.09198	16.9
283.10840	18.6
285.17004	11.4
287.10190	3.8
293.09204	25.4
295.07782	2.0
295.10825	19.6
297.08643	1.8
299.10165	5.4
301.11865	2.4
308.26764	3.0
309.08743	1.9
311.10281	15.6
313.11853	3.8
321.08575	7.0
327.09726	18.3
339.09753	31.7
341.11368	3.1
344.28580	2.1
346.15436	1.7
353.11301	3.2
359.08081	3.2
359.12387	39.5
371.12320	19.0
388.16574	3.1
400.16656	2.7
418.17606	5.0
436.18420	2.9
446.17276	11.3
448.18460	3.2
464.11508	2.0
464.18237	36.1
466.19727	2.7
474.16537	6.1
478.19739	3.4
492.17688	79.2
506.19073	5.7
524.20154	25.3
542.21179	1.8
542.42603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.19557	3.6
55.05501	15.0
57.03431	12.8
57.07063	7.4
59.05005	6.1
60.65217	3.3
61.63289	3.6
67.05510	100.0
69.07066	13.7
71.08639	5.0
74.09727	6.5
79.05492	38.7
81.07060	46.8
83.08620	14.4
85.06515	5.3
91.05500	19.3
93.07050	37.6
95.08614	32.1
97.06553	4.5
97.10223	4.2
98.20720	6.7
105.07018	12.4
107.08599	27.2
109.10171	68.2
111.08090	5.0
119.08604	15.4
121.10172	19.8
123.11704	4.9
131.08578	12.3
133.10146	8.2
135.11707	11.5
145.10146	12.0
147.11702	8.2
149.13264	9.8
150.27855	3.5
155.10678	3.8
159.11687	6.5
161.13271	5.5
163.14815	6.7
173.11749	13.9
173.13164	8.4
227.12706	16.7
229.14346	88.7
243.20984	17.0
257.26620	5.0
261.22168	33.8
289.46686	3.1
317.24707	6.5
335.25821	65.8
471.34662	6.4
489.35870	38.0
542.54059	15.5
543.36841	6.7
557.41992	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	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45669	0.6
63.44512	0.6
69.15971	4.4
69.16372	1.4
73.11276	0.5
98.20733	1.4
100.74318	0.6
138.57071	0.6
173.32115	0.6
363.06854	1.8
381.07919	11.2
417.96582	0.6
503.79755	0.5
520.88257	0.6
543.13269	100.0
544.13055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
55.05498	1.1
59.48924	1.0
67.05489	2.5
70.06597	9.9
71.52204	1.3
72.08152	3.3
79.05484	4.1
80.05025	2.5
81.03389	1.3
81.05804	1.2
81.07060	1.6
82.06586	2.1
84.04499	2.3
84.08143	1.9
85.06520	1.2
86.09711	4.6
91.05489	5.2
93.05825	1.3
93.07056	10.7
94.06125	1.1
94.06583	12.1
94.32101	1.2
95.06101	1.5
95.07365	10.2
95.08595	3.1
96.07568	1.8
96.08141	24.5
97.06533	3.4
101.07076	1.1
102.05533	1.4
103.05448	2.6
105.05785	1.5
108.07424	1.9
108.08121	18.9
108.93253	1.0
109.08922	2.6
109.10148	1.7
110.09691	46.8
118.06557	2.5
120.08118	36.0
121.06554	1.8
124.07601	2.4
136.07591	17.0
138.05504	3.3
138.09146	54.1
146.06021	15.3
148.07593	10.3
154.08621	2.4
166.08655	100.0
172.03949	1.9
174.05440	1.9
192.06664	1.1
204.06566	1.6
206.08144	4.3
209.10774	1.3
213.10281	1.8
221.12840	4.0
223.08665	2.7
224.09447	1.7
225.10275	3.8
227.08224	2.1
237.10229	10.3
239.08159	5.6
239.11842	3.8
241.09689	5.6
251.08199	4.4
253.09731	15.3
255.11330	3.8
265.09760	22.6
265.12219	0.8
266.10538	1.8
267.07639	4.0
267.11359	6.7
269.09323	2.9
281.09213	17.3
283.10788	14.5
287.10156	2.4
293.09235	19.2
294.10117	1.5
295.10794	16.8
299.10324	6.0
301.11844	5.5
309.08740	2.7
311.10272	14.3
313.11856	7.8
321.08530	7.7
322.07397	1.5
325.11758	1.6
327.09772	18.1
331.12827	1.5
339.09805	26.2
341.11310	3.5
344.13925	1.3
353.11392	4.7
358.15717	1.5
359.12387	38.7
359.16824	2.2
371.12436	16.1
372.13574	1.2
385.14194	1.6
388.16516	3.0
418.17584	4.4
446.17166	9.0
448.18585	3.9
464.18216	34.7
466.19687	8.4
473.53369	1.1
474.16473	4.6
478.19266	1.8
492.17712	76.3
506.19165	8.2
524.20361	25.9
542.22290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.1
53.03945	10.7
55.01869	2.4
55.05272	2.0
55.05515	21.1
57.03149	1.3
57.03428	3.1
57.07079	9.8
65.03940	5.5
67.05509	62.3
69.03429	2.1
69.07069	16.1
70.06586	7.2
71.05000	3.2
71.08630	5.4
71.52963	1.5
73.06541	2.1
73.65936	1.2
77.03944	1.4
79.05498	82.2
81.03436	7.5
81.07060	59.0
83.05002	9.1
83.08633	10.3
85.06541	2.5
85.10171	1.7
87.09009	1.1
88.07186	1.2
88.07629	8.2
88.45029	1.3
91.05489	59.5
93.07048	77.3
95.04970	15.3
95.08612	37.9
97.02885	1.6
97.06535	4.3
97.10165	5.0
102.09173	7.6
103.05499	2.1
105.04517	2.8
105.07038	42.1
107.04957	6.4
107.08610	25.2
109.06527	4.7
109.10164	10.8
111.08149	1.9
113.12083	1.3
115.05473	1.3
117.07021	11.9
119.08593	28.4
121.06501	1.4
121.10152	15.3
123.08058	4.3
123.11758	1.6
124.31087	1.1
125.09603	1.4
128.06245	2.8
129.07019	11.6
131.08549	11.7
133.08643	1.1
133.10120	14.0
135.11716	9.2
140.45181	1.1
143.08582	9.2
145.10120	13.0
147.08089	2.0
147.11700	27.3
149.13258	3.3
155.08583	1.4
157.10130	3.2
159.11691	6.3
161.09628	2.4
161.13289	10.8
169.10152	2.1
171.11693	23.8
173.13272	3.2
175.14851	2.5
183.11688	1.6
187.14919	1.5
189.12798	7.4
199.14709	1.4
207.13829	23.2
225.14824	2.8
226.63046	1.3
236.32744	1.2
256.26373	14.2
257.26703	7.2
261.22244	3.5
274.27344	1.4
281.17590	1.9
283.26447	2.7
284.26663	1.9
284.29572	3.3
285.29913	2.0
311.29413	12.1
312.29868	10.9
439.44702	1.3
449.34399	2.0
515.81110	1.2
540.53448	11.0
541.38995	100.0
541.53613	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10310	0.6
51.40483	0.6
52.85207	0.7
53.03946	3.2
55.01876	2.5
55.05274	0.8
55.05518	11.4
57.03438	2.1
57.07082	8.4
58.06596	1.0
60.02007	0.7
65.03944	1.6
66.74197	0.6
67.05510	24.6
69.07072	10.3
69.22779	6.0
69.31866	0.7
70.06593	5.4
71.05000	1.3
71.08633	5.1
73.02910	0.8
79.05499	22.6
81.03436	1.7
81.07061	23.4
83.04987	2.1
83.08628	4.9
85.06542	1.4
85.10183	1.0
88.03621	0.7
88.07629	7.4
91.05489	18.4
93.07047	21.5
93.07643	1.1
95.04982	3.6
95.08614	13.3
97.06548	1.9
97.10196	3.1
98.20709	1.4
99.08115	1.3
102.09189	4.4
103.05462	1.0
103.09539	0.7
105.04550	1.2
105.07040	16.3
107.04972	1.4
107.08605	9.4
109.06573	1.2
109.10156	4.8
109.46714	0.6
111.08091	1.0
113.33672	0.6
115.05481	1.6
117.07014	8.7
119.08595	11.9
121.10143	6.6
123.08105	1.4
123.11752	1.4
128.06250	2.0
128.53381	0.8
129.07013	9.5
130.07843	1.0
130.72543	0.8
131.08580	14.1
133.10143	5.4
135.08070	1.0
135.11699	3.8
137.09584	0.7
139.11229	0.8
141.06984	3.6
142.07788	1.8
143.08560	14.2
143.09567	1.1
145.10127	14.2
145.11172	1.1
147.11687	6.6
149.09589	0.6
149.13286	2.8
151.44008	0.7
153.06970	0.7
155.08575	7.0
156.09383	1.4
157.10133	10.3
159.11688	5.4
161.09665	1.2
161.13309	3.0
163.14912	1.0
165.07021	1.2
167.08624	2.7
169.10144	10.2
171.11684	9.8
173.13300	3.8
175.14822	1.6
177.12773	0.9
179.08569	1.7
180.09340	0.8
181.10104	4.6
183.11717	6.3
185.13304	4.1
187.14915	2.2
189.12845	1.2
193.10231	1.5
195.11708	3.7
197.13248	5.3
199.14857	3.8
201.16466	2.0
207.11758	2.4
207.13881	2.6
209.13318	2.9
211.14859	3.0
213.12881	0.9
213.16432	2.2
221.13359	1.3
223.14972	1.7
225.16452	3.1
227.18054	1.4
235.14893	1.9
237.16467	1.7
239.17981	1.2
243.21170	1.2
247.14868	0.9
251.17950	1.2
253.16216	0.7
256.26382	9.6
257.26743	6.1
261.22214	1.7
281.17520	1.4
283.20432	0.7
283.26480	2.1
284.26651	1.4
284.29620	2.0
285.18613	0.8
285.29813	0.8
301.21756	0.8
311.29416	11.3
312.29776	5.7
317.24844	2.4
323.24176	1.0
325.25510	0.7
337.25333	0.8
351.27029	1.3
355.26242	1.0
431.33313	3.9
449.34198	14.1
467.35147	3.7
485.36670	1.8
487.36060	0.8
505.37048	1.8
523.37836	9.9
540.53546	11.6
541.38977	100.0
541.53510	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03504	1.8
53.03950	2.9
55.01879	2.4
55.05519	15.8
57.07079	5.6
59.04997	1.9
60.04472	1.9
67.05514	27.2
69.03419	5.9
69.07073	39.1
69.85304	7.2
70.06604	14.2
71.05004	4.6
72.08157	6.6
79.05502	19.3
81.03424	4.4
81.07066	100.0
83.04966	2.9
83.08626	14.9
84.04522	3.3
84.08151	4.7
85.02911	9.4
85.06550	16.1
86.09707	10.5
91.05490	9.3
93.07053	54.8
95.04986	3.5
95.08614	65.6
97.02898	4.4
97.06544	11.0
97.10178	6.5
98.21481	2.7
99.08096	8.6
102.05510	2.0
103.05474	3.0
105.07031	18.9
107.08601	60.3
107.09313	3.3
109.06527	2.7
109.10162	53.6
111.08080	16.3
111.11715	7.8
115.07607	3.0
119.08580	17.8
120.08127	5.9
121.10155	51.4
123.11707	31.7
125.09615	4.7
127.11224	2.9
129.10252	2.8
131.04846	2.2
131.08539	3.8
133.10136	16.8
135.11696	39.8
137.09584	2.3
137.13274	13.9
139.11179	17.0
145.10127	4.5
147.11690	12.1
149.13268	36.0
151.11172	3.1
151.14832	3.2
153.12764	19.2
159.11702	5.6
161.13266	12.0
163.14841	14.0
165.12643	4.0
167.14287	3.9
171.13853	4.7
173.13287	5.7
175.14861	12.9
177.16373	6.4
179.14392	2.5
180.27235	2.1
183.13803	2.0
187.14844	2.5
189.16365	10.3
191.17970	5.0
193.15929	6.7
201.16397	3.2
203.17952	6.5
207.17387	3.0
211.16943	9.6
215.17937	7.7
221.18935	2.3
223.20883	2.6
225.18407	3.8
231.91223	2.2
233.19093	3.6
251.20134	2.6
259.24240	5.0
261.15488	2.1
269.58447	1.9
271.24265	18.9
277.25269	8.6
289.25266	41.9
295.26352	10.5
307.26324	62.6
313.27451	2.4
325.27353	18.1
334.66632	2.1
343.28448	7.3
361.29547	7.5
363.19382	2.0
541.21942	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	541.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.26529	1.5
55.05515	10.8
57.03426	1.9
57.07061	4.5
59.04977	2.3
67.05186	2.1
67.05511	26.1
69.03436	2.0
69.06734	2.4
69.07073	31.1
69.67184	9.2
70.06575	4.1
71.04990	5.0
72.08133	2.2
79.05501	8.8
81.03416	3.1
81.07059	100.0
82.12473	1.4
83.08612	8.4
84.04509	2.8
84.08125	2.5
85.02906	4.3
85.06566	9.5
86.09703	2.5
91.05484	6.9
93.07049	31.1
94.76865	1.5
95.04972	3.2
95.08616	54.2
97.02900	1.9
97.06528	8.7
97.10148	5.4
99.04469	1.9
99.08053	2.6
105.07039	11.5
107.08602	26.3
109.06559	1.6
109.10159	34.9
111.08070	14.5
111.11703	6.5
117.07018	1.8
119.08597	7.9
120.08067	3.2
121.10149	18.7
123.11708	54.5
125.09624	4.2
125.13246	1.8
127.11196	1.7
131.08580	2.3
133.10117	7.2
135.11710	16.6
137.13266	19.5
139.11235	3.4
141.12721	3.9
145.10141	2.9
147.11693	8.6
149.09682	1.6
149.13271	23.8
151.11217	9.2
151.14880	2.1
153.12793	10.1
155.14330	5.1
159.11600	3.6
161.13278	4.8
163.14816	5.2
165.12775	3.6
167.07159	2.2
169.12218	4.3
171.13777	4.0
171.56993	1.6
173.13249	3.7
175.14832	5.4
177.16449	3.5
183.13832	1.7
187.13287	4.0
189.16393	2.2
215.17767	2.2
219.10136	1.9
259.24280	2.6
271.24228	7.1
275.20175	2.0
277.25272	10.8
285.16843	1.7
289.25259	28.7
295.26321	5.7
297.56705	1.7
307.26315	53.2
325.27383	15.1
343.28366	2.8
355.77017	1.7
361.29239	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	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01866	4.8
55.05518	15.3
57.03430	5.8
57.07069	5.7
59.04996	1.7
59.95800	1.8
61.02932	2.3
61.36832	1.6
67.05511	23.8
68.99777	2.5
69.03431	21.4
69.07067	16.9
71.04996	3.0
71.52753	2.0
72.08136	3.8
73.02902	2.0
79.05493	19.8
81.03420	14.6
81.07065	41.9
82.79964	2.0
83.04984	12.1
83.08627	9.7
85.02908	25.8
85.06543	27.2
87.00826	9.5
91.05485	14.8
93.07054	27.1
95.04948	8.7
95.08613	32.4
97.02898	9.9
97.06524	4.9
97.10188	5.6
99.04448	4.3
99.08096	7.9
105.01878	7.1
105.07046	14.7
107.04923	4.4
107.08600	29.6
109.02875	10.1
109.06532	7.3
109.09470	2.8
109.10164	30.1
111.04414	2.6
111.08099	17.4
111.11724	3.2
113.09655	3.6
115.03917	2.9
117.07017	5.5
119.08593	23.3
120.08116	17.8
121.06523	8.3
121.10159	38.7
121.90472	1.7
122.07307	2.8
123.04433	7.2
123.08048	5.9
123.11723	15.1
123.72572	1.7
124.25692	1.8
125.09641	13.0
127.03918	16.8
127.07587	2.9
129.01854	1.9
129.07007	2.6
131.08597	11.0
133.10139	15.3
135.08060	11.0
135.11726	13.7
137.09639	18.4
137.13235	3.9
139.07565	2.4
139.11177	5.4
141.09004	2.1
143.08589	3.9
145.04979	4.2
145.06490	2.7
145.10094	14.2
147.08046	4.4
147.11688	8.4
149.09650	16.5
149.13289	9.1
151.07552	3.9
151.11153	3.7
151.14850	1.9
153.09155	13.2
157.10149	7.8
159.08069	2.7
159.11697	7.8
161.09578	5.6
161.13260	5.3
163.11188	7.4
163.14813	5.2
164.84219	1.9
165.09120	3.5
167.10661	6.1
171.11673	4.6
173.09653	3.3
173.13277	16.3
175.11200	4.6
175.14836	4.1
177.05367	1.9
177.12767	2.9
177.16345	2.3
179.10660	7.8
183.11708	2.0
185.13248	3.1
187.11226	4.5
187.14801	7.5
189.12810	8.0
189.16376	2.3
190.13277	2.8
191.14392	12.2
191.17986	2.0
197.13258	2.1
199.14803	4.6
201.12767	8.5
203.14310	2.2
205.12267	2.8
207.11288	2.1
207.13861	4.3
211.10779	2.3
213.16397	2.9
215.14372	2.9
217.15857	4.1
219.13733	9.7
219.81813	2.0
227.14262	2.5
231.04895	4.3
233.15338	2.2
239.18077	2.7
247.20613	5.9
257.18991	13.3
275.20074	100.0
293.21106	62.5
293.28360	2.8
313.15433	2.2
408.96304	1.9
487.30597	3.3
505.31442	2.3
541.26575	18.1
541.34296	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	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01871	5.0
55.05273	1.4
55.05514	16.5
56.09686	0.7
57.03426	2.8
59.04994	0.8
65.03944	1.6
67.05510	23.9
69.03426	2.7
69.07072	14.8
71.04998	1.8
71.26118	1.4
71.26458	0.7
79.05498	21.2
80.57241	0.6
81.03424	18.1
81.07059	19.5
83.04988	3.8
83.08627	9.9
85.06544	1.2
91.05488	19.3
93.07047	15.7
94.73329	0.7
95.04980	11.7
95.08059	1.1
95.08615	11.3
97.06544	5.3
97.10166	8.1
105.07037	18.8
105.07704	1.5
107.04951	5.1
107.08609	12.6
109.06524	3.2
109.10160	6.5
111.08092	3.6
113.09637	0.9
115.05452	2.1
117.07018	8.6
119.04945	1.1
119.08587	12.3
121.06525	5.3
121.10123	5.5
123.04434	0.8
123.08069	2.3
123.11734	1.6
124.37372	0.8
125.09630	7.7
128.06238	2.3
129.06996	8.8
131.04944	1.5
131.08569	11.6
133.06491	2.6
133.10150	9.7
135.08090	3.3
135.11696	2.6
137.09669	1.7
137.73863	0.6
141.07002	2.8
142.07816	2.5
143.08577	7.1
144.09334	0.8
145.06491	3.4
145.10117	8.3
147.08066	2.3
147.11700	5.2
149.09607	5.0
149.13313	1.3
152.53918	0.8
153.09065	1.8
154.76088	0.6
155.08551	5.2
157.06476	1.7
157.10135	7.1
159.08047	2.2
159.11705	5.5
161.09644	1.8
161.13313	2.0
163.11218	3.5
164.37656	0.7
165.06987	0.9
165.12750	0.8
167.08580	0.9
169.10085	4.3
171.08101	2.4
171.10460	0.7
171.11646	4.2
173.09650	2.8
173.11858	1.0
173.13335	1.4
175.11203	1.6
175.14853	0.8
177.12756	1.8
179.08531	1.3
179.14362	1.5
181.10133	3.4
183.08064	1.5
183.11710	4.0
185.09715	1.3
185.13274	2.5
187.11217	2.7
187.14902	1.3
189.11240	2.5
189.12730	1.2
193.12273	9.0
195.08121	0.9
195.11717	2.8
197.09677	2.1
197.13254	3.6
199.11223	2.0
199.14877	1.4
205.12317	1.0
207.11736	1.1
209.13345	1.8
211.14880	1.3
213.12790	1.8
213.16441	0.8
219.11781	1.1
221.13300	1.4
223.14978	0.8
225.12778	1.7
241.59531	0.7
249.14803	1.2
257.19022	3.3
267.15924	1.3
271.20886	0.8
275.20084	16.6
281.18936	1.0
287.16476	0.9
291.20291	0.7
293.21194	1.8
295.20575	1.4
297.18811	1.0
297.22263	2.7
299.20166	2.9
329.21362	1.0
337.21725	1.1
341.21027	0.9
342.07974	0.8
355.22781	1.8
369.24347	1.0
373.23972	1.3
379.22549	0.9
429.25995	1.1
431.29636	2.7
443.28027	1.3
449.30560	9.4
467.31647	8.0
472.28183	1.2
485.32672	2.1
505.32861	1.2
523.34290	8.7
539.15332	0.9
541.35315	100.0
542.35364	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01872	4.9
55.05511	9.3
57.03435	3.0
57.07063	3.8
59.05012	2.0
60.67953	1.2
61.02929	3.1
63.25171	1.1
67.05502	14.9
69.03078	1.8
69.03432	18.3
69.07066	7.9
70.91316	1.4
70.91682	2.7
71.04997	4.9
73.02886	1.9
79.05502	14.0
81.03429	9.8
81.07062	23.1
83.04990	11.3
83.08613	4.1
85.02914	24.7
85.06094	1.4
85.06551	18.6
87.00838	10.5
91.05484	9.1
93.07050	16.5
95.04962	7.7
95.08609	16.2
97.02895	9.1
97.06526	4.6
97.10158	2.1
99.04454	2.3
99.08090	4.0
102.57013	1.4
105.01855	6.3
105.07027	11.1
107.04964	2.1
107.08594	18.8
109.02880	7.8
109.06526	5.8
109.10162	13.0
111.04485	2.1
111.08089	20.5
111.83549	1.1
113.06038	2.8
113.09682	6.7
117.01849	1.8
117.07018	4.2
117.27902	1.2
119.08594	18.8
121.06506	6.4
121.10147	29.3
123.04451	7.5
123.08070	2.9
123.11710	14.4
125.06005	1.5
125.09631	17.8
127.03925	14.3
127.07561	2.4
128.06128	1.6
129.07021	2.0
131.08578	9.1
133.10138	15.4
135.08073	9.6
135.11670	10.5
137.06029	2.2
137.09619	12.9
139.11177	5.2
143.08614	3.1
145.04950	4.2
145.10114	13.6
147.08049	2.3
147.11703	9.6
149.09625	18.5
149.13246	4.7
151.11195	4.7
153.09108	27.1
157.10109	4.2
158.10928	2.5
159.02856	2.8
159.08092	3.6
159.11702	8.8
161.09607	4.0
161.13274	3.0
163.07538	1.8
163.11209	9.4
163.14827	2.9
165.09175	1.7
165.12752	2.3
167.10701	3.0
171.11699	3.8
173.09682	2.9
173.13275	24.4
175.11215	3.9
175.14816	4.0
177.09122	3.1
177.12772	5.2
179.10721	7.1
181.12233	2.3
183.11690	3.4
185.13336	1.5
187.11205	3.9
187.14844	12.0
188.15628	2.2
189.12827	3.4
189.16385	1.8
191.14328	10.0
197.13254	3.1
199.14804	3.0
201.12784	8.5
203.14249	3.8
205.12260	3.4
205.15994	2.3
207.13843	4.0
215.14366	4.1
215.17935	2.7
217.15828	6.4
219.13812	5.4
229.19562	6.4
231.04977	1.4
231.17653	1.5
233.15379	2.7
233.19012	1.4
239.17970	2.6
247.20531	4.7
257.19046	18.3
275.20074	100.0
293.21121	72.5
317.20895	1.7
450.30252	1.3
469.59268	1.2
487.23343	4.4
505.24631	2.0
523.25439	4.6
541.26447	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01866	4.8
55.05518	15.3
57.03430	5.8
57.07069	5.7
59.04996	1.7
59.95800	1.8
61.02932	2.3
61.36832	1.6
67.05511	23.8
68.99777	2.5
69.03431	21.4
69.07067	16.9
71.04996	3.0
71.52753	2.0
72.08136	3.8
73.02902	2.0
79.05493	19.8
81.03420	14.6
81.07065	41.9
82.79964	2.0
83.04984	12.1
83.08627	9.7
85.02908	25.8
85.06543	27.2
87.00826	9.5
91.05485	14.8
93.07054	27.1
95.04948	8.7
95.08613	32.4
97.02898	9.9
97.06524	4.9
97.10188	5.6
99.04448	4.3
99.08096	7.9
105.01878	7.1
105.07046	14.7
107.04923	4.4
107.08600	29.6
109.02875	10.1
109.06532	7.3
109.09470	2.8
109.10164	30.1
111.04414	2.6
111.08099	17.4
111.11724	3.2
113.09655	3.6
115.03917	2.9
117.07017	5.5
119.08593	23.3
120.08116	17.8
121.06523	8.3
121.10159	38.7
121.90472	1.7
122.07307	2.8
123.04433	7.2
123.08048	5.9
123.11723	15.1
123.72572	1.7
124.25692	1.8
125.09641	13.0
127.03918	16.8
127.07587	2.9
129.01854	1.9
129.07007	2.6
131.08597	11.0
133.10139	15.3
135.08060	11.0
135.11726	13.7
137.09639	18.4
137.13235	3.9
139.07565	2.4
139.11177	5.4
141.09004	2.1
143.08589	3.9
145.04979	4.2
145.06490	2.7
145.10094	14.2
147.08046	4.4
147.11688	8.4
149.09650	16.5
149.13289	9.1
151.07552	3.9
151.11153	3.7
151.14850	1.9
153.09155	13.2
157.10149	7.8
159.08069	2.7
159.11697	7.8
161.09578	5.6
161.13260	5.3
163.11188	7.4
163.14813	5.2
164.84219	1.9
165.09120	3.5
167.10661	6.1
171.11673	4.6
173.09653	3.3
173.13277	16.3
175.11200	4.6
175.14836	4.1
177.05367	1.9
177.12767	2.9
177.16345	2.3
179.10660	7.8
183.11708	2.0
185.13248	3.1
187.11226	4.5
187.14801	7.5
189.12810	8.0
189.16376	2.3
190.13277	2.8
191.14392	12.2
191.17986	2.0
197.13258	2.1
199.14803	4.6
201.12767	8.5
203.14310	2.2
205.12267	2.8
207.11288	2.1
207.13861	4.3
211.10779	2.3
213.16397	2.9
215.14372	2.9
217.15857	4.1
219.13733	9.7
219.81813	2.0
227.14262	2.5
231.04895	4.3
233.15338	2.2
239.18077	2.7
247.20613	5.9
257.18991	13.3
275.20074	100.0
293.21106	62.5
293.28360	2.8
313.15433	2.2
408.96304	1.9
487.30597	3.3
505.31442	2.3
541.26575	18.1
541.34296	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	540.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	28.6
55.01862	17.9
55.05518	31.0
57.03432	9.3
61.02918	14.7
65.03930	14.7
67.03098	4.1
67.05510	86.3
67.15871	4.1
68.99799	11.9
69.03430	40.4
69.07066	18.7
70.69986	12.5
71.04997	7.1
71.72532	3.9
73.02911	9.8
73.20171	4.1
77.19882	4.0
79.05496	79.1
81.03425	56.6
81.07053	57.8
83.04975	6.3
83.08630	10.0
85.02440	6.9
85.02912	93.1
87.00832	43.5
91.05488	100.0
93.07044	46.6
95.04993	20.6
95.08620	37.1
97.02925	27.5
97.06524	9.5
99.04440	12.9
103.04009	4.9
103.05450	11.3
105.01878	25.6
105.03387	6.3
105.07047	58.2
107.04962	53.9
107.08600	14.8
108.59747	5.4
109.02878	39.1
109.06508	4.7
109.10155	10.2
115.03995	5.4
115.05463	37.6
116.06260	10.5
117.01852	6.4
117.07024	55.2
119.04980	5.5
119.07858	5.4
119.08559	32.4
121.06494	9.2
121.10155	10.9
123.04414	5.4
123.11815	4.5
127.03916	56.6
128.06223	57.6
129.01865	11.3
129.07011	76.7
130.07813	5.4
131.04942	23.0
131.08566	62.3
133.06493	25.3
133.10144	14.5
135.11702	5.1
135.87744	4.1
141.07021	35.2
142.07780	17.7
143.08572	35.1
144.05591	5.0
145.04996	16.5
145.06512	29.7
145.10152	23.4
147.08046	9.5
147.55602	4.3
152.06184	6.0
153.06978	17.7
154.07813	13.4
155.06036	6.4
155.08568	33.5
157.06479	16.8
157.10159	17.5
159.02893	16.7
159.08029	17.6
159.11670	12.2
165.06982	10.6
167.08617	14.2
169.06404	6.5
169.10135	15.2
171.08069	20.4
171.11761	11.4
173.05977	8.0
173.09570	12.6
175.07501	5.6
179.08534	11.6
181.10184	7.2
183.08098	14.9
183.11674	7.3
185.09590	10.4
185.13138	5.6
189.03992	6.4
192.09305	4.8
193.10039	5.8
195.08089	6.4
197.06067	6.0
197.09639	8.9
199.11218	6.8
209.09599	8.2
231.04932	8.5
257.19043	5.1
275.20212	4.7
283.20901	4.3
288.76852	5.4
299.20053	14.1
329.21024	5.6
365.21005	13.9
383.22345	9.3
401.23517	5.5
469.22266	8.1
540.34424	8.5
541.35364	11.0
556.80627	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	540.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
56.67382	1.4
57.03438	4.0
57.07079	16.8
67.05512	34.4
69.07076	8.1
70.06596	12.8
71.08644	13.2
71.53121	2.8
75.21342	1.6
79.05502	8.7
81.03436	2.1
81.07063	16.6
83.04986	2.4
83.08617	5.9
85.06535	1.8
85.10188	5.1
88.07632	17.6
89.06049	2.0
89.65710	1.4
91.05488	6.7
93.07052	15.2
94.53869	1.4
95.04971	2.5
95.08632	11.8
97.06536	2.0
97.10152	2.2
99.08109	4.2
102.09206	13.7
105.07010	4.2
107.08604	8.4
109.10168	28.1
109.10860	2.9
111.08066	2.4
117.07031	1.7
119.08582	5.4
121.10164	5.9
133.10150	3.4
135.11702	7.1
137.09642	2.1
139.82504	1.8
147.11717	1.8
149.13271	2.8
151.11198	2.8
159.11694	2.0
163.11250	1.7
173.11755	4.7
179.14308	13.6
229.14371	29.9
240.72958	1.6
256.26364	32.8
274.27380	3.9
277.21692	12.5
283.26349	6.5
284.29544	4.9
311.29468	34.3
314.27542	2.6
351.25363	8.8
505.35281	48.8
522.38489	2.5
540.38080	5.9
540.53595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03934	1.9
55.01863	2.0
57.03438	0.7
57.27617	0.4
59.45957	0.4
65.03948	2.5
67.05498	1.3
70.03033	2.1
70.06590	2.9
70.49096	0.4
72.08150	1.0
75.04488	2.8
78.04702	2.3
78.24648	0.5
79.05489	1.5
81.03403	1.6
81.07086	0.7
84.04499	0.6
84.08114	0.6
85.02899	3.3
86.09686	1.4
89.03900	0.9
89.06048	1.0
91.05485	10.2
93.03408	10.6
93.07034	4.6
95.04958	2.9
97.06524	2.0
103.05467	5.4
105.07019	0.9
106.04179	24.1
107.04990	3.1
109.06527	0.8
111.04413	0.5
117.03369	1.3
118.04183	0.5
119.04945	1.8
120.08127	0.6
121.06513	24.4
122.07272	0.7
123.04413	0.8
123.08076	0.5
124.05233	0.9
125.05993	7.6
131.04929	1.3
131.05907	0.5
133.06453	0.7
134.03609	4.0
137.05971	4.7
138.06714	1.1
139.07567	1.4
145.02873	1.1
147.04378	0.5
148.05209	2.3
149.05988	41.7
151.07533	1.7
152.08269	0.8
153.05469	1.6
153.09103	10.7
162.01421	0.5
163.03891	1.1
163.07558	2.4
165.05653	0.6
166.06250	1.3
167.07062	3.3
177.05473	23.0
179.07124	0.6
181.08603	17.8
191.07076	2.4
193.08691	0.9
209.08098	100.0
219.10132	1.5
223.04231	6.6
226.82240	0.5
387.14313	0.6
495.82651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03938	1.3
55.01860	2.4
57.03420	0.7
65.03924	2.2
65.89405	0.6
67.05494	0.8
70.06592	4.7
70.08015	2.7
72.08142	1.9
73.20396	0.6
74.00331	0.7
75.04460	2.4
78.04696	2.1
79.05482	1.2
81.03406	1.3
84.04473	0.9
84.08128	2.0
85.02902	3.8
86.09701	1.3
89.03902	1.3
89.06022	1.2
91.05489	8.8
93.03411	10.8
93.07057	4.9
95.04989	3.7
97.06523	2.5
103.05457	5.0
105.04510	1.3
105.07054	1.4
106.03478	1.1
106.04182	22.2
106.04887	1.4
107.04991	1.3
109.46020	0.6
110.07214	0.7
115.05370	0.7
117.03349	1.1
119.04958	1.2
120.08111	2.5
121.06503	24.0
121.08411	0.8
123.04414	1.3
125.05991	6.9
127.03963	0.9
129.06960	1.0
131.04955	1.2
134.03621	3.2
135.04405	1.5
137.05980	4.4
139.07567	1.9
141.06964	0.8
145.02936	0.9
148.05209	2.5
149.05986	38.2
151.07520	1.4
152.08304	0.8
153.05371	0.8
153.09106	9.9
159.08122	0.9
161.05925	0.8
161.46629	0.7
163.03908	1.1
163.07529	1.8
166.06302	0.8
167.07019	4.0
168.22939	0.6
174.06812	1.6
177.05472	20.3
181.08606	18.6
181.10207	0.7
189.09117	2.2
191.07019	1.6
194.16631	0.5
195.06702	0.7
201.09042	0.8
209.08098	100.0
219.10164	12.7
223.04308	6.3
227.12766	0.8
255.05513	0.6
312.09058	1.2
330.86365	0.6
369.13483	0.8
419.17834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36652	2.0
55.01879	2.8
55.05513	14.3
56.56858	1.8
57.03436	8.4
57.07080	40.2
61.91892	1.7
67.05508	26.5
69.03439	2.4
69.07069	14.2
70.08204	3.2
70.08617	6.9
71.04989	3.1
71.08637	24.6
79.05504	21.4
81.07056	33.1
83.04994	3.3
83.08632	17.4
85.10187	11.4
89.06042	2.3
91.05489	8.6
93.07048	31.5
95.04971	6.2
95.08615	48.5
97.02911	3.9
97.06574	2.2
97.10198	5.3
98.20840	2.6
99.04471	2.2
99.16491	1.9
105.07026	6.6
107.04957	9.9
107.08591	27.7
109.06527	2.6
109.10175	13.1
111.11789	2.1
117.07027	7.7
119.08593	9.6
121.06508	5.2
121.10159	12.0
123.11767	2.3
125.05985	3.3
131.08601	2.4
135.08090	2.5
135.11697	44.6
136.94864	1.7
145.10130	32.3
157.10204	2.5
159.11728	2.5
163.11188	55.9
173.13370	2.2
181.12206	11.3
203.74286	1.8
209.11713	2.3
227.12794	89.0
239.23680	3.0
283.12430	3.5
283.15421	51.9
313.27380	100.0
393.67468	2.0
521.38361	72.7
522.38940	2.1
539.39453	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	539.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65646	3.3
53.03947	3.7
55.01880	5.9
55.05512	25.7
57.03436	13.2
57.07080	45.0
65.03947	3.8
67.05509	40.3
69.03439	4.2
69.07071	23.8
71.08645	33.4
71.52785	3.8
74.93781	3.8
79.05505	33.1
81.03434	7.2
81.07068	46.3
83.04981	8.9
83.08626	16.8
85.02900	6.8
85.10181	19.7
89.06050	5.6
91.05479	20.4
93.07056	43.2
95.04999	6.5
95.08619	58.5
97.02913	4.2
97.06498	4.9
97.10170	12.1
105.07045	20.5
107.04936	5.0
107.08608	33.4
109.02871	4.0
109.10175	17.4
111.04427	9.4
117.07031	12.2
119.08622	20.5
121.06510	4.5
121.10159	15.2
123.11720	5.1
125.06013	3.9
128.77811	3.7
129.07016	5.3
131.08595	6.2
133.10127	10.6
135.08067	4.9
135.11710	39.7
139.07640	5.8
141.06996	6.7
143.08611	8.4
145.10135	26.5
157.10184	7.3
159.11716	5.4
163.11189	40.7
169.10164	9.3
171.11749	7.2
171.51402	3.7
181.10146	5.0
181.12239	6.3
183.11668	5.1
195.11806	4.2
197.13193	7.6
209.11703	5.4
223.14778	3.7
227.12819	79.5
233.16234	3.3
237.16595	4.2
239.23723	8.9
271.02219	3.2
283.15411	48.5
313.27390	100.0
340.28210	3.3
447.32611	12.0
521.38409	68.3
539.29114	4.5
539.37402	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83514	0.7
53.03949	5.9
55.01878	5.7
55.05519	4.6
57.03439	4.8
57.07058	0.9
59.04997	0.9
61.02905	2.2
67.05516	5.0
68.99777	2.1
69.03434	26.2
69.07082	3.3
69.84979	3.4
70.06578	0.8
71.04996	5.0
73.02913	4.7
79.05504	4.9
81.03424	23.8
81.07064	7.8
83.04978	2.4
83.08623	2.1
85.02912	31.7
85.06534	2.5
87.00838	15.3
87.04449	0.6
91.03967	1.7
91.05496	6.0
93.07050	12.2
95.04974	4.9
95.08614	10.0
97.02895	14.6
97.06561	4.7
98.06851	1.0
98.21484	1.0
99.04462	6.4
103.03949	1.3
105.01879	7.1
105.07037	10.3
105.47551	0.6
107.05039	0.8
107.08597	6.9
109.02894	19.7
109.06522	7.2
109.10136	3.2
111.04443	1.4
111.08089	48.2
115.03902	0.8
115.05411	1.1
117.01847	2.8
117.07014	3.0
119.08589	10.2
121.06510	4.0
121.10155	5.6
122.07269	1.5
123.04397	0.9
123.08081	13.1
123.11701	1.3
127.03925	26.5
129.01837	3.0
129.07008	2.0
130.07788	1.5
131.08549	4.7
132.00717	0.7
133.06490	2.5
133.10147	9.7
135.08080	9.5
135.11690	2.7
137.06007	0.7
137.09613	3.1
139.07567	1.2
142.07735	1.3
143.08560	3.5
145.04962	9.1
145.06116	0.8
145.06558	0.9
145.10153	6.6
146.10837	0.8
147.02856	2.4
147.08063	3.5
147.11682	4.6
149.09608	3.1
151.07556	50.3
153.09166	1.4
156.09395	3.2
157.10106	4.5
159.02908	10.5
159.08051	5.5
161.09662	4.2
161.13257	1.6
163.11189	9.0
165.09143	1.5
169.10127	1.6
171.11732	5.0
173.09593	2.0
173.13278	2.4
174.10437	5.6
175.11244	3.7
177.03859	0.7
177.09143	1.4
179.10690	7.6
181.12283	1.4
183.11707	1.0
187.11130	1.3
187.14862	1.1
189.03976	1.6
189.12756	100.0
190.13164	0.8
191.10722	1.1
191.14331	3.6
192.11523	1.1
193.08614	0.8
197.11734	15.2
197.13298	2.2
199.11142	1.1
203.14339	0.9
205.12242	2.6
207.13820	37.6
211.14751	1.0
213.04062	1.6
213.16396	2.0
215.14323	3.5
217.12233	3.5
223.13429	0.9
231.04958	5.0
231.13832	1.4
231.17448	1.8
235.13310	5.0
242.09172	0.8
249.14903	0.8
255.17509	4.4
273.18500	31.2
291.19565	23.6
312.12991	0.9
351.17963	0.9
411.20087	1.4
419.17065	1.0
429.17065	0.7
437.18143	1.7
448.26013	0.7
455.12595	1.0
455.19150	18.9
521.23706	1.4
539.24866	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	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50738	1.6
50.63081	1.7
51.00325	1.9
53.03935	2.9
55.05517	9.8
57.07073	3.8
60.83679	1.8
63.67380	1.9
65.03918	1.9
67.05507	36.4
69.03443	2.3
69.07069	16.8
70.06576	6.3
71.04999	3.9
71.51807	2.4
72.08139	1.9
79.05476	7.7
81.03418	5.6
81.06599	3.3
81.07063	50.3
83.04962	2.7
83.08620	10.6
84.04518	2.8
84.08135	2.3
85.02895	4.8
85.06541	5.6
86.09704	4.2
91.05473	6.1
93.07047	12.8
94.04198	2.2
95.04968	3.8
95.08058	3.5
95.08606	31.2
97.02894	5.1
97.03968	2.1
97.06496	5.6
97.10142	4.1
99.04475	1.9
99.08112	2.3
105.07019	9.5
107.04947	3.7
107.08604	14.5
109.06511	6.3
109.10164	100.0
111.08089	3.7
116.00694	2.0
119.08587	6.8
120.08138	2.5
121.06523	2.6
121.10153	11.5
122.03634	2.7
123.08021	2.8
123.11720	31.6
125.09644	4.4
127.11200	9.2
131.08574	4.2
133.10153	4.8
135.11685	5.5
136.06184	2.0
136.07574	10.2
137.05986	47.9
137.07851	2.3
137.09595	4.7
137.13249	3.8
138.06323	16.3
139.11174	4.1
145.10092	3.3
147.11635	2.1
149.09570	2.5
149.13290	5.9
151.11154	2.3
151.14819	2.4
155.10663	13.9
157.10162	2.4
159.11664	3.2
163.14796	2.3
167.07019	2.1
167.14307	3.7
173.11771	3.5
173.13181	3.2
175.07581	2.9
177.05441	2.6
179.14229	2.9
181.12219	2.0
189.16368	2.3
213.16289	3.1
231.06534	10.1
232.06850	9.2
251.20177	2.7
269.22617	3.4
273.18585	3.7
275.23627	3.7
287.23703	7.0
293.24817	18.5
305.24759	48.7
309.18182	2.4
311.25711	7.3
323.25824	38.6
341.26733	3.5
367.13467	3.2
386.13297	6.2
521.20007	9.3
539.40924	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	539.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.89901	0.7
55.01862	3.6
55.05520	7.9
57.03440	2.1
57.07071	1.1
61.02913	1.0
65.03938	1.6
66.90412	0.7
67.05521	8.1
69.03429	14.4
69.07053	3.1
69.53754	3.0
69.54158	2.2
70.06580	3.7
71.05004	4.8
73.02915	2.0
79.05496	6.0
80.17333	0.8
81.03041	0.8
81.03424	7.6
81.07059	7.0
82.44901	0.8
83.04544	1.1
83.04985	10.1
83.08623	1.6
84.08135	1.5
84.60289	0.8
85.02914	14.8
85.06081	1.2
85.06548	12.5
87.00842	4.2
91.05487	7.9
93.07046	10.5
95.04960	3.5
95.08606	8.9
96.08154	1.6
97.02885	4.5
97.06551	1.5
97.10157	1.2
99.04465	6.5
99.08097	7.2
103.05485	1.6
104.66657	0.8
105.01876	3.4
105.07037	10.5
107.04948	1.4
107.08595	9.6
108.08088	1.0
109.02883	6.6
109.06518	8.5
109.10170	8.6
110.09669	1.8
111.08098	5.2
113.09617	1.9
115.03927	1.2
115.05412	1.1
117.03348	0.8
117.07010	2.2
119.08598	9.4
120.08098	1.9
121.06510	3.7
121.08398	1.1
121.10151	23.5
122.06153	1.0
123.08072	2.0
123.11720	2.9
125.05998	1.2
125.09636	6.0
127.03916	7.6
128.06216	1.1
129.07016	2.2
131.04935	1.1
131.08562	6.3
133.06580	1.4
133.07642	1.2
133.10121	10.6
135.08067	22.7
135.11690	2.8
136.07495	1.0
137.05972	6.4
137.09624	7.5
138.09149	2.4
138.10277	0.8
139.07494	1.3
139.11191	6.0
141.06973	1.3
142.07712	1.4
143.08588	4.9
145.02888	0.8
145.04936	2.6
145.06555	0.8
145.10121	7.6
147.08040	3.6
147.11665	3.3
149.09628	6.2
149.13318	1.6
151.07549	9.1
151.11084	1.0
153.09102	18.4
155.08562	1.9
155.10648	1.7
156.09329	2.7
157.10118	6.4
159.02893	2.1
159.08041	8.5
159.11708	3.3
160.08896	1.0
161.09628	11.6
161.13263	1.9
163.07555	1.5
163.11256	1.4
165.09097	2.8
166.08656	3.7
167.06996	0.9
167.08899	1.8
169.10123	2.2
170.10960	1.9
171.08040	2.7
171.11659	6.6
172.08856	1.1
173.09644	7.6
173.13264	4.3
174.10466	1.1
175.07471	1.3
175.11189	4.3
175.14832	1.4
177.05450	2.3
177.12711	1.1
178.05894	1.3
179.10689	1.7
181.04955	2.8
183.08049	1.4
183.11714	1.4
185.09566	3.8
185.13240	4.6
187.11211	3.6
187.14819	4.2
189.09123	1.1
189.12762	12.1
191.14330	4.1
193.10257	1.0
195.11659	1.3
197.09634	1.7
197.13254	6.0
198.10355	1.1
199.11188	7.5
200.12029	1.8
201.12798	2.8
203.14339	2.8
204.06529	1.0
205.12102	0.9
211.11121	1.1
211.14746	1.2
213.09340	1.0
213.12753	11.8
213.16312	2.4
215.14311	15.3
217.12231	2.8
225.12726	1.5
227.17958	2.3
229.15840	1.8
229.19510	1.0
231.05109	1.1
231.13745	1.5
231.17464	2.0
233.15436	4.3
238.10573	1.7
245.19066	3.1
247.17079	1.1
255.17430	13.5
266.10147	1.4
273.18509	48.9
291.19553	100.0
293.08713	1.0
294.09567	1.2
312.13281	1.2
326.12018	1.3
353.11230	1.3
354.11414	2.4
367.19046	5.4
489.17960	1.1
507.19553	6.0
539.19507	4.4
539.27826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
58.57946	0.1
63.02385	0.5
65.03940	0.1
67.05492	0.3
69.07057	0.3
70.06586	0.2
70.76641	0.4
78.04707	0.3
79.05485	0.5
81.07071	0.4
83.08614	0.2
89.03922	6.9
91.05482	1.0
93.07050	0.4
95.04956	0.2
97.06529	0.8
100.07622	0.1
100.11257	0.3
103.05473	0.8
105.07029	0.5
106.04176	0.4
107.04923	0.3
107.08630	0.2
111.04427	0.3
112.07638	0.1
117.03384	20.5
119.04945	0.4
120.08130	0.1
121.06506	0.3
121.10155	0.2
126.84473	0.1
131.04958	1.3
132.05693	1.3
133.06512	0.4
134.03629	1.4
135.04408	1.2
137.06041	0.2
145.02850	49.8
147.04388	0.3
147.48048	0.1
148.05228	0.2
149.05991	6.7
149.13255	0.7
151.07521	0.4
154.06293	0.1
158.06061	0.3
160.05167	0.8
161.05968	1.0
162.03177	0.2
163.03906	0.5
163.07538	0.4
165.05508	0.3
167.07028	0.9
173.05917	0.2
176.04794	0.2
177.05473	100.0
179.07014	0.5
180.07893	0.4
181.22041	0.1
182.09471	0.2
182.15395	0.7
184.16992	0.4
186.05499	1.6
191.07031	1.4
192.07829	3.1
193.08679	0.2
204.06529	0.3
209.08144	0.3
210.08888	0.3
210.14851	0.8
241.08698	0.1
250.51009	0.1
253.53802	0.1
266.21167	0.4
285.14828	0.2
294.20776	0.5
295.09509	0.2
311.12766	0.3
315.12274	0.2
327.12299	0.3
328.11801	0.4
332.14883	1.1
337.21091	0.2
345.13306	0.3
354.13419	0.7
355.15219	0.2
355.22162	0.2
358.13034	0.3
360.14417	0.2
362.16019	1.5
388.14081	0.8
508.19714	4.1
520.37598	0.8
538.20709	5.5
538.38373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.4
65.82198	0.2
70.03585	0.5
70.03973	0.4
78.04735	0.3
79.05506	0.3
89.03918	7.0
91.05495	0.9
98.21455	0.3
103.05454	0.6
105.07034	0.8
106.04180	0.6
107.04998	0.5
115.05508	0.2
117.03386	20.6
118.04182	0.2
118.56372	0.2
119.05003	0.3
121.06526	0.6
124.05217	0.2
130.04109	0.2
131.04919	0.6
132.05750	1.0
133.06470	0.6
134.03645	1.1
135.04427	1.4
137.05983	0.3
145.02853	48.2
146.03105	0.2
147.04405	0.3
149.05983	6.6
151.07513	0.3
154.06274	0.3
158.05984	0.3
160.05235	0.4
161.05986	1.9
163.03900	0.4
163.07552	0.2
165.05389	0.2
167.07039	1.6
173.06099	0.2
177.05478	100.0
178.05797	0.5
179.07050	0.4
180.07849	0.4
181.08533	0.5
182.09399	0.7
186.05463	1.1
191.07060	0.6
192.07831	1.0
193.08620	3.1
193.15753	0.2
193.85910	0.2
194.08206	0.5
204.06549	0.2
206.08090	0.7
209.08101	1.9
210.08922	1.2
248.08377	0.2
264.85867	0.2
292.43256	0.2
328.11813	4.4
332.14752	0.3
345.13379	0.4
354.13306	0.6
362.16071	1.6
370.12833	0.3
388.14020	0.2
477.92249	0.2
508.19382	1.4
538.20764	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65355	1.1
51.02381	1.1
53.03939	4.4
55.01874	1.4
65.03915	1.4
69.72810	1.5
69.73227	4.3
70.06589	1.7
78.04721	2.1
79.05492	5.1
81.03420	62.1
84.08118	1.3
85.02929	1.1
91.05487	12.2
94.04191	1.6
95.04974	2.0
103.05477	6.6
105.07014	5.6
106.04193	1.7
107.04959	91.5
115.05463	10.9
117.07015	8.9
119.04941	9.9
120.08155	1.6
121.02874	3.2
121.06499	3.7
122.03620	2.8
123.04410	5.2
124.05192	2.6
128.06258	1.5
131.04936	9.7
133.06503	6.9
134.06003	1.5
136.06238	1.3
136.07573	10.3
137.05978	43.0
143.04919	4.1
144.04500	2.2
144.05699	1.8
145.02882	1.3
145.06474	16.1
146.03633	2.0
146.06026	2.7
147.04395	1.7
147.08047	2.5
149.05952	2.0
151.03908	4.0
152.04681	1.4
153.05487	1.7
153.06963	1.5
155.06035	3.4
157.06468	1.7
160.05219	5.1
161.05997	8.2
162.05519	4.6
163.07576	2.4
165.06993	2.1
167.07050	100.0
169.06444	1.4
169.58730	1.1
171.04442	1.2
172.05244	1.9
173.04669	1.6
173.06017	14.9
175.07555	21.5
177.05516	1.9
178.05026	1.3
181.05006	2.4
181.06456	4.8
183.08046	1.4
184.07584	1.2
185.09630	2.3
187.07562	10.8
188.07025	1.7
189.05573	1.3
190.06219	2.8
191.07126	2.3
194.08211	1.2
195.08070	2.1
196.09764	1.0
197.05975	1.2
198.06830	1.5
200.07082	1.5
201.05452	3.9
202.08687	1.7
203.07027	2.9
204.06535	1.2
205.08560	9.6
206.08163	6.8
213.09129	5.8
214.08652	2.4
217.08598	6.8
220.09717	2.7
221.09781	1.3
222.07530	1.9
230.08199	1.8
231.06552	3.6
232.09654	1.4
233.06126	1.2
233.07990	5.5
235.07541	1.8
235.09662	17.6
239.09334	1.8
241.08636	4.9
242.08218	2.9
244.06058	1.4
249.08969	1.5
258.70255	1.0
260.09094	3.8
262.10748	1.3
265.08572	1.4
266.09329	1.1
272.09213	2.8
273.11203	7.6
274.10880	1.5
277.08539	1.6
281.11755	1.4
289.10629	3.4
290.10220	21.4
295.09579	1.0
300.12338	19.1
301.10550	1.6
302.10358	1.6
304.09689	1.4
307.09564	2.2
327.12207	1.1
328.11819	1.2
336.12210	9.2
339.12140	1.8
341.13730	2.1
352.11682	1.4
364.11838	9.4
366.13275	6.1
367.11829	1.2
368.15021	5.9
378.13324	7.2
396.14423	36.7
396.19632	2.1
426.15594	1.5
490.18631	5.2
502.18704	10.4
520.19702	20.2
538.22675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.05513	20.5
57.03449	12.6
57.03682	2.5
57.06829	3.5
57.07080	38.4
65.03932	3.1
66.98148	2.1
67.05140	3.1
67.05503	43.6
67.32327	2.1
69.07066	16.2
71.04979	2.8
71.08635	18.4
73.06571	3.5
79.05501	59.3
81.03427	6.3
81.07066	41.0
81.22800	2.3
83.04981	8.3
83.08634	14.8
85.10187	16.0
91.05482	48.8
93.07046	52.9
95.04970	16.0
95.08603	32.5
97.10167	4.7
100.49445	2.4
105.07024	32.8
107.04995	4.8
107.08586	12.3
109.06555	6.1
109.10165	10.7
117.07034	5.9
119.08571	17.2
123.08072	3.3
123.11710	2.4
128.06258	2.7
129.06992	12.9
133.10121	5.5
137.13242	2.2
139.34543	2.3
143.08577	6.4
145.10156	7.2
147.11716	28.6
161.09666	3.8
161.13277	9.8
171.11687	22.9
189.12747	8.7
207.13826	28.3
216.66180	2.4
231.51031	3.0
257.24796	3.2
281.17468	63.2
281.29489	22.9
282.27908	65.5
292.37045	2.5
299.30588	17.4
313.27374	72.4
351.48569	2.4
519.40491	100.0
537.53381	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	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
54.73481	3.2
55.05518	23.9
56.71143	3.2
57.03424	8.8
57.04902	3.7
57.07080	33.8
62.38318	2.9
65.03969	5.4
67.05517	43.7
69.07085	24.0
71.08642	30.0
79.05503	54.5
81.03414	9.5
81.07069	43.4
83.04971	12.1
83.08619	19.5
85.10185	14.7
89.01914	3.4
91.05496	38.7
93.07054	54.1
95.04996	16.5
95.08617	33.5
97.06542	5.2
97.10150	12.0
105.07043	28.5
107.04959	4.7
107.08589	19.4
109.06540	3.7
109.10166	12.4
112.28356	3.4
117.07020	5.8
119.08597	19.0
120.60574	3.5
121.10150	5.7
123.08065	5.1
123.11710	4.6
129.07031	15.8
131.08601	4.1
133.10117	9.8
135.11674	4.0
143.08556	9.0
145.10144	12.1
147.11713	23.0
161.13246	8.9
163.11176	7.4
171.11717	24.1
189.12790	8.4
207.13809	31.9
217.39368	3.4
261.98218	3.9
277.47562	3.5
281.17487	64.8
313.27390	76.3
502.35928	6.3
519.40594	100.0
519.48285	5.7
537.24963	7.7
537.37671	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01884	2.3
55.05515	42.6
57.03454	1.8
57.07080	17.3
67.05508	41.9
69.07072	42.8
69.75986	8.6
71.04997	44.2
71.08646	12.2
73.04765	4.3
79.05132	1.9
79.05502	17.9
81.03420	3.9
81.07060	61.6
83.04990	7.4
83.08622	36.3
85.06537	5.1
85.10190	5.8
91.05466	34.8
93.07050	18.9
95.04983	3.4
95.08591	11.3
97.06535	6.5
97.10174	24.3
99.08098	2.3
105.07036	15.8
107.08591	14.4
109.06544	2.4
109.10153	7.7
111.08064	3.8
111.11709	7.8
114.07368	1.7
117.07030	4.4
119.08587	3.5
121.10139	7.4
123.08119	3.3
123.11720	14.4
125.13293	2.3
131.08607	4.8
133.10132	21.6
135.11717	6.2
149.13293	7.8
151.11165	11.3
152.52510	1.5
159.11725	6.0
167.05588	6.7
171.11693	2.0
172.37320	1.9
177.12820	3.3
179.14507	1.6
183.13780	14.9
187.13327	4.7
195.13892	4.7
201.14894	2.6
209.63428	1.5
237.22099	7.3
253.14215	1.6
257.17560	2.8
269.17654	2.1
282.27982	5.3
283.19141	4.5
285.17017	5.1
299.06198	6.8
300.06284	9.3
311.25894	2.8
325.27240	2.0
339.25366	2.6
358.49817	1.9
411.05984	1.6
416.03519	2.9
484.43875	1.9
493.38919	28.6
505.39224	2.1
508.65466	1.8
519.40637	3.4
537.41595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.1
67.05514	4.0
68.05039	1.7
69.74561	2.4
70.06598	100.0
72.08158	2.4
75.87269	0.8
79.05509	0.8
82.06581	0.8
84.04541	1.1
84.08149	51.8
86.09732	1.6
89.64178	0.7
91.05484	3.9
93.07064	2.7
94.00399	0.6
94.06586	1.5
95.07371	1.2
96.08156	2.5
103.05462	5.9
105.07061	2.2
108.08136	1.3
112.07587	1.8
115.08715	0.9
119.04967	0.8
120.08115	73.5
121.06527	0.9
122.09676	5.3
123.04461	0.6
129.07019	0.7
130.06523	1.5
130.08641	6.9
131.04993	1.0
132.08064	1.1
136.07635	3.3
136.11221	11.5
137.05995	2.9
137.12000	1.3
143.08559	0.7
144.08089	1.4
147.04446	0.9
148.07686	0.7
151.04018	0.7
154.05032	2.1
159.11412	1.1
165.05498	1.8
181.13344	5.2
182.08212	1.5
184.11317	1.1
185.09631	1.3
186.12805	12.8
186.30322	0.7
187.11247	1.0
189.09163	3.1
202.12294	3.2
209.12982	1.2
219.15031	5.7
231.10121	3.8
231.14958	1.0
248.12823	7.6
265.15500	21.1
271.18082	1.1
272.16418	3.5
275.14011	1.4
293.15067	1.5
316.20114	1.2
317.18570	5.4
321.14380	3.6
321.19791	1.0
349.19531	1.1
357.13226	0.7
362.20728	13.9
367.20258	9.1
390.20209	6.4
395.19650	33.2
412.22473	1.3
422.20932	2.1
423.19028	1.0
433.08798	0.8
440.21863	19.0
450.20303	1.7
464.25537	5.2
468.21329	57.3
491.26541	1.1
492.25104	9.5
509.27618	39.0
519.26166	0.9
537.27118	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40970	0.8
55.01883	0.8
55.05517	1.0
62.49440	0.7
67.05504	6.6
68.05030	2.0
69.07063	1.1
69.56831	2.8
69.57246	1.2
70.06595	100.0
71.05010	1.0
72.08170	1.9
76.02245	1.3
79.05494	1.3
80.05019	0.9
81.03414	2.0
81.07060	2.0
82.06594	1.3
83.05004	0.8
84.04508	1.5
84.08145	49.7
85.02901	1.6
85.06570	1.3
85.15370	0.6
86.09693	4.2
91.05480	5.2
93.07045	3.5
94.06602	1.7
95.05012	1.1
95.07353	0.8
95.59605	0.6
96.08133	3.2
97.02915	0.9
97.06540	2.8
98.20809	1.1
103.05461	6.9
105.07033	3.6
107.04964	1.5
107.08587	0.7
108.08144	1.0
112.07594	1.8
113.00495	0.8
115.05547	0.8
115.08686	1.4
117.26038	0.8
119.04955	1.1
119.08618	1.1
120.08105	81.4
122.09663	4.9
123.04464	0.7
123.08057	0.8
126.05489	0.7
128.09955	0.8
130.05006	0.8
130.06573	2.3
130.08656	5.3
131.08530	1.2
132.08075	1.3
133.10199	0.8
136.07590	5.4
136.11211	13.4
137.05978	8.0
137.12015	1.4
138.12756	0.9
144.08084	0.8
145.06618	0.8
145.10129	1.0
146.06024	0.9
147.04439	2.0
148.07565	1.2
151.03862	1.3
157.06578	0.8
161.09555	0.8
162.02258	1.5
165.05515	2.2
167.07060	1.0
172.11140	0.8
175.11208	1.1
179.04933	1.1
181.13336	5.3
182.08252	0.9
185.09689	2.1
186.12801	8.9
189.09058	4.4
202.12321	3.9
209.12872	1.0
211.13179	1.1
213.09090	0.8
217.13293	0.9
219.14963	6.7
231.10225	2.7
244.10930	1.1
248.12831	8.9
265.15466	22.6
272.16541	3.9
275.14169	1.5
289.43390	0.7
293.15109	1.6
309.09506	1.2
316.20200	1.1
317.18604	7.0
321.14490	2.6
323.20990	1.1
357.13336	1.2
362.20758	15.3
367.20203	7.8
375.14685	1.6
389.17474	2.0
390.20184	5.0
395.19647	32.4
412.22449	1.5
422.20810	3.0
423.19312	2.2
440.21796	17.5
450.20248	2.0
464.25519	6.7
468.21298	63.9
469.21594	1.0
491.26321	0.7
492.24963	8.4
509.27579	50.1
534.24323	1.0
537.27118	70.6
538.27393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32588	0.1
56.05042	0.7
57.03428	0.1
58.06642	0.5
59.07401	0.2
60.08169	6.5
63.46333	0.1
67.05509	0.8
69.07095	0.1
70.04366	0.5
70.06615	0.3
71.07379	3.0
75.40476	0.1
79.05510	0.3
81.07059	0.5
83.80843	0.2
86.09713	27.4
87.27383	0.1
93.07046	0.3
95.08616	0.2
97.02899	0.1
98.98469	2.9
104.10755	2.8
105.07033	0.2
107.08609	0.3
119.08627	0.1
125.00016	20.3
132.47713	0.1
143.01154	0.2
167.05626	0.1
184.07356	100.0
185.07668	0.2
213.31175	0.1
227.22905	0.1
258.10901	0.2
269.49579	0.1
500.31143	1.0
518.32483	7.2
536.28058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32787	2.4
69.33210	4.0
76.37356	0.7
94.93004	5.9
98.20767	1.0
112.89581	0.8
115.59512	0.7
122.01390	1.3
122.51433	1.9
123.01338	0.8
128.01372	1.6
130.56944	0.7
131.01909	2.3
131.51971	1.7
132.01762	1.1
137.01947	1.2
137.51953	2.0
143.01872	2.4
143.51984	2.6
144.01793	1.0
145.00717	0.7
149.51935	1.2
150.01826	1.3
152.02428	0.9
153.02313	0.8
161.02985	0.8
165.02560	0.8
173.02988	1.5
173.53001	1.3
174.02957	2.2
180.97504	0.9
194.94592	100.0
203.04016	2.7
203.54079	3.2
204.03979	3.4
212.94728	5.6
212.96581	2.1
224.04745	1.1
230.95760	1.2
236.96432	1.1
240.94330	1.0
254.55763	1.3
254.97725	28.6
266.97641	9.4
282.95349	1.3
284.56671	1.6
284.98508	2.5
285.06558	1.9
315.00006	7.1
356.95392	1.7
357.00647	3.3
365.09763	0.9
374.95959	1.5
375.01538	3.0
381.07980	5.5
403.04910	1.4
537.05365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01862	8.0
55.05514	15.5
57.03440	22.4
61.02920	6.8
65.03940	2.3
67.05510	28.0
69.03432	7.4
69.07069	32.6
69.94836	7.3
70.06588	6.6
71.04990	4.3
79.05495	46.1
80.46156	2.0
81.03419	13.2
81.07061	60.6
83.04977	6.3
83.08615	16.6
85.02918	12.1
85.06551	3.0
88.53352	2.1
90.98601	2.0
91.03959	2.6
91.05474	30.2
93.07046	36.9
95.04948	8.2
95.08607	24.6
97.02895	9.5
97.06541	15.0
97.10088	2.2
99.04399	2.0
103.03967	4.3
105.07031	20.6
107.04963	11.4
107.08591	26.3
109.02850	2.2
109.06515	23.2
109.10151	8.3
111.08064	2.8
113.05993	2.0
115.05418	2.5
117.07033	14.1
119.04964	2.1
119.08596	24.4
120.08125	5.5
121.06505	5.8
121.10149	26.4
123.08078	6.0
123.11678	2.4
125.09617	4.5
127.03940	4.4
127.07533	2.6
129.07014	2.6
131.08571	23.9
133.10139	15.1
135.07289	1.9
135.08076	18.8
135.11708	4.8
137.09622	9.5
139.11224	3.0
143.07016	7.5
143.08559	5.8
145.06526	3.0
145.10101	20.0
147.08054	2.2
147.11658	5.3
149.09619	32.3
151.11148	6.2
153.09094	2.9
155.08556	3.5
157.10078	2.6
159.08026	2.8
159.11703	6.3
161.09529	2.8
161.13260	2.4
163.07564	3.4
163.11198	7.9
167.10677	7.5
169.08734	3.2
169.10127	5.6
171.11621	2.4
173.13167	3.0
175.11049	1.8
185.11729	4.8
185.13217	4.2
187.11137	3.7
187.14838	4.9
201.11177	2.5
201.16360	13.7
211.14847	8.0
217.10760	6.4
219.17526	5.6
227.12820	22.4
229.15944	14.2
241.14333	24.2
247.16940	25.4
265.17996	4.7
270.23035	3.3
299.06287	2.8
321.20621	100.0
321.23871	3.7
339.21661	88.4
482.04001	2.3
483.26047	3.5
501.26331	2.3
536.20667	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.7
55.01870	13.1
55.05506	18.8
57.03156	3.5
57.03439	56.4
61.02924	13.8
67.05183	4.0
67.05508	44.8
69.03417	12.6
69.07066	33.3
70.06588	2.9
71.01347	4.8
71.04975	3.1
72.08163	3.2
73.02907	6.2
79.05073	4.6
79.05497	68.7
81.03428	21.7
81.07059	60.7
82.25467	2.5
83.04982	15.8
83.08633	16.5
85.02905	17.9
85.06543	5.8
87.04480	3.0
91.03973	4.9
91.05477	50.1
93.03368	3.9
93.06488	4.5
93.07044	66.8
95.04958	11.5
95.08614	35.3
97.02875	14.0
97.06541	20.8
97.10162	4.0
103.03960	12.9
103.05487	5.2
105.04491	3.2
105.07045	43.6
107.04941	12.6
107.08602	40.2
109.02883	2.9
109.06536	13.8
109.10162	15.8
111.04432	3.6
111.08066	3.8
115.05460	3.4
117.07022	23.9
119.07905	3.2
119.08591	29.6
121.06486	7.8
121.09343	3.9
121.10153	53.2
122.05986	3.1
123.08056	9.7
123.11749	4.0
125.06008	4.5
125.09633	13.3
127.03926	6.0
128.06242	3.6
128.98596	3.2
129.05434	6.3
129.07002	11.6
131.04927	6.5
131.08591	36.9
133.10127	25.7
134.05957	3.7
135.08049	27.5
136.06219	3.5
136.07545	2.7
137.05992	11.1
137.09624	8.5
139.11179	8.2
141.06995	11.8
143.08533	9.5
145.02866	3.7
145.04993	4.5
145.06442	5.0
145.10149	34.6
147.08037	4.2
147.11635	7.4
149.02264	3.3
149.06001	3.2
149.09621	54.1
151.07489	3.6
151.11224	12.0
153.09097	9.0
155.08504	4.7
157.10103	8.9
159.11693	10.6
161.09546	3.6
162.05469	7.2
163.07494	4.2
163.11172	3.6
165.09122	4.6
167.07085	2.8
167.10675	18.5
169.10176	16.8
169.11601	2.7
173.09584	3.8
173.13293	5.1
177.05428	7.0
179.07083	3.4
183.11703	7.0
185.11728	4.5
185.13297	9.0
187.11224	6.3
187.14812	18.0
189.12636	3.2
191.07002	3.9
192.07806	5.8
193.04974	4.7
201.16461	14.9
207.06503	3.5
209.08228	3.1
211.14868	19.3
219.01813	9.6
219.17290	4.3
223.13261	5.5
227.12787	76.9
229.15883	29.6
237.02827	6.5
241.14355	100.0
247.16995	26.5
265.18002	5.3
270.11246	4.7
279.03772	3.7
281.17389	6.0
298.10739	4.3
299.06311	3.4
321.20612	95.9
321.24072	3.6
339.21646	51.5
361.14893	3.7
397.31027	7.5
423.07809	3.4
432.18091	3.0
483.25558	4.1
490.18210	5.7
501.26797	3.8
508.19321	8.8
518.17566	3.1
536.18890	50.8
555.12170	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	535.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01858	4.8
55.05516	32.4
57.03426	5.6
57.07075	15.4
57.67144	2.2
60.36054	2.3
63.73250	2.4
67.05510	41.2
69.07069	29.3
69.34497	15.1
71.08640	11.6
74.09734	3.8
79.05497	32.0
81.03411	7.7
81.07066	31.0
83.04970	7.5
83.08627	24.2
85.10197	5.4
85.13055	2.7
91.05481	27.2
93.06548	3.4
93.07051	29.2
95.04984	13.0
95.08618	26.6
95.78408	2.2
97.06553	4.2
97.10165	17.5
97.36741	2.2
98.20801	4.0
105.07016	20.8
107.04891	2.3
107.08582	11.2
109.06525	4.1
109.10174	5.8
111.11723	5.0
113.58111	2.7
117.07008	3.9
119.08601	11.2
121.10125	5.0
123.08087	3.2
123.11716	2.7
128.06245	2.5
129.06992	7.2
131.08546	3.3
133.10156	5.3
135.11736	5.3
143.08536	4.9
145.10115	5.7
147.11693	13.6
149.13239	3.6
150.96562	2.1
159.11652	3.6
161.13222	2.8
171.11676	9.6
207.13812	10.1
237.22108	8.6
281.17502	16.1
311.25851	27.9
397.88977	2.7
517.38934	100.0
535.40753	15.0
547.79126	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	536.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01879	1.4
55.05516	5.9
57.03448	1.7
58.99588	16.8
59.18332	0.7
67.05512	4.7
69.03435	2.8
69.07061	2.6
70.06609	4.0
71.04993	1.2
71.11975	1.3
72.08147	1.9
74.00673	1.8
76.02233	89.9
76.03991	4.2
79.05496	5.6
80.05001	1.3
81.03426	23.5
81.07070	7.6
83.04986	8.2
83.06120	1.7
83.08621	6.6
84.04507	22.1
84.08157	1.6
85.02912	3.1
85.04034	4.1
86.09702	3.7
86.99053	4.1
88.02229	1.1
91.05488	11.8
92.01697	1.9
93.07043	4.3
95.04969	8.7
95.08617	2.5
97.01102	1.2
97.02892	1.9
97.06524	0.9
97.10157	1.5
100.02239	0.8
102.05534	1.1
103.05473	0.9
105.07036	5.9
107.04964	2.2
107.08601	3.8
109.06517	1.2
111.04456	1.4
111.08109	3.4
112.03981	1.7
113.03495	1.9
114.03810	1.1
116.01692	22.6
117.07024	0.9
119.08601	5.0
120.08118	3.6
121.06500	1.4
121.10151	2.9
125.09608	1.0
127.03976	1.2
129.06952	2.8
129.10262	1.0
130.05009	19.0
131.04530	3.7
131.08600	3.3
133.10136	2.9
137.05988	1.5
142.03236	8.7
144.01151	11.4
145.06131	1.8
145.10127	1.7
147.07991	1.0
147.11690	4.0
147.13841	0.8
149.09665	1.6
157.10141	4.7
160.00609	1.1
162.02217	40.7
170.02713	3.2
175.11179	5.7
177.03290	12.8
179.04866	88.8
185.03825	1.4
187.05357	2.4
193.12273	15.2
205.20166	0.7
211.13300	32.7
215.04865	2.3
227.04863	0.9
231.04630	1.4
233.05908	18.9
245.05905	3.3
250.12555	1.1
268.13748	2.1
277.18253	0.8
286.14719	1.9
288.06104	0.9
290.08069	2.5
291.06522	2.6
306.07700	1.4
308.09125	100.0
356.18823	1.6
371.16165	1.4
389.10162	0.9
389.17322	1.6
427.76062	0.8
518.21545	2.8
520.22003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20800	0.5
52.58146	0.5
54.59221	0.6
55.01860	0.7
55.05513	0.6
57.03442	0.5
57.42331	0.5
66.63873	0.4
67.05500	1.5
69.03432	1.5
69.07076	1.1
70.06602	3.0
71.51770	0.5
72.08160	1.3
78.84042	0.4
79.05489	1.6
81.03421	3.2
81.07059	2.2
83.05026	0.5
84.08152	1.7
85.02914	2.4
86.09716	3.8
87.00872	0.6
87.37415	0.4
91.05496	1.6
93.07059	1.4
95.04995	1.0
97.02879	1.3
97.06573	0.7
103.05470	0.8
105.07042	0.9
109.02882	1.1
116.07098	0.7
119.08594	0.8
120.08121	2.0
121.10193	0.5
127.03938	1.7
134.16603	0.5
137.06006	0.9
141.42122	0.5
145.04967	0.6
147.08075	0.5
147.11626	0.5
147.83965	0.5
149.05980	0.7
151.03923	4.7
155.08597	0.6
159.02908	0.9
159.04388	0.6
161.02351	0.9
163.03897	1.3
165.09149	0.9
166.08702	0.6
169.05014	1.0
169.06456	0.7
173.02402	2.2
177.05493	1.2
187.03947	1.5
197.06075	1.4
199.03967	1.2
200.04770	0.7
201.05519	1.5
213.05502	1.4
215.07074	2.2
217.73375	0.5
227.03531	0.8
227.17563	0.7
239.06956	0.6
281.11676	1.1
287.05521	14.8
309.11215	1.9
313.09283	0.7
315.13269	1.1
327.12347	1.7
401.10382	1.2
535.21570	100.0
536.21765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.01871	10.6
55.05513	36.8
57.03449	14.3
57.07082	3.1
65.03943	6.7
67.05512	100.0
69.03437	2.8
69.07072	47.2
69.82548	11.6
71.04997	8.7
73.06544	3.9
79.05500	66.3
81.03426	40.2
81.06592	4.9
81.07061	96.9
83.04987	8.5
83.08627	34.6
85.06543	5.4
91.05490	72.9
93.06487	4.6
93.07053	83.0
95.04991	12.3
95.08616	92.6
97.06538	21.3
97.10162	6.6
98.21414	3.6
103.05466	2.8
105.04544	4.5
105.07039	46.5
107.04936	4.5
107.08601	42.1
109.06507	8.3
109.10170	47.0
111.08083	14.3
113.09650	3.2
115.95776	2.2
117.07037	26.0
119.08591	52.4
121.06506	9.6
121.10152	35.2
123.08099	16.0
123.11710	9.1
125.05997	4.8
125.09605	4.2
127.07566	2.8
129.07018	13.6
131.08586	41.3
133.06529	6.0
133.10138	40.0
135.08070	9.0
135.11723	17.4
137.09625	22.6
139.07561	4.4
139.11157	6.1
141.06993	4.8
143.07031	9.4
143.08551	14.5
145.10139	29.5
147.08022	7.1
147.11703	21.3
149.09616	10.8
149.13263	10.6
155.08592	8.0
157.08696	4.7
157.10123	12.9
159.11702	26.3
161.09625	2.3
161.13287	13.4
163.14816	5.2
165.09125	9.1
167.10655	7.5
169.10184	5.8
170.58566	2.4
171.11707	11.1
173.11885	4.3
173.13301	15.7
175.09703	4.4
175.11201	3.6
175.14835	10.1
177.12724	3.2
181.10071	3.5
183.10234	4.2
183.11743	9.9
185.13293	11.6
187.14867	8.6
189.12743	3.0
191.14342	3.9
195.11761	3.5
195.79552	2.6
197.13322	6.1
199.09677	7.6
199.14854	5.9
201.16414	4.9
206.83047	2.2
209.13315	3.9
211.13252	6.2
211.15015	4.9
213.11125	4.0
213.16397	3.7
215.17708	2.6
219.13718	3.3
221.13237	2.8
229.14345	9.1
231.12274	3.8
239.12761	17.4
243.21109	4.3
259.15463	3.9
259.20581	5.4
261.22107	6.5
269.17697	3.3
271.20560	5.5
273.22324	3.5
285.22052	3.2
287.20612	2.8
287.23737	9.9
289.21658	12.9
301.25266	6.0
303.23212	3.8
305.24973	2.8
309.22229	3.6
327.23184	3.5
333.24353	4.9
335.25934	14.9
341.24753	2.7
345.24182	3.3
359.25769	3.1
361.27380	4.7
363.25323	12.4
389.28201	5.3
389.71255	3.0
397.31082	3.1
401.26675	4.9
407.29532	16.2
419.28320	2.8
425.30673	20.1
443.31766	12.7
481.32764	5.0
499.34250	57.8
517.35266	95.4
535.36462	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.01867	2.2
55.05516	17.9
57.03426	6.5
57.07079	9.9
61.02909	5.0
65.03930	3.7
65.44327	2.4
67.05507	80.5
69.03429	4.5
69.07063	26.0
71.04990	3.0
71.08624	6.6
79.05496	26.2
79.26965	1.8
81.03426	5.2
81.07060	94.6
82.07339	2.4
83.04980	3.6
83.08621	22.1
85.02898	5.5
85.06534	3.8
85.10175	5.4
89.06077	2.3
91.03971	2.6
91.05480	20.3
93.07051	35.0
95.04962	2.2
95.08612	84.0
97.02888	4.3
97.06519	9.4
97.10170	12.3
98.20636	3.2
99.08101	3.1
104.10732	2.5
105.07037	14.4
107.08601	20.9
109.09478	3.4
109.10165	47.5
111.08092	5.1
111.11717	4.2
119.08606	17.1
121.10151	25.4
123.08108	2.8
123.11729	22.5
127.04013	1.8
131.08511	3.8
133.10133	18.1
135.11700	13.0
137.13277	6.5
139.11151	3.0
141.12743	3.8
147.11649	13.0
149.13252	13.3
151.11162	2.0
151.14832	8.9
153.12703	2.3
155.14372	3.5
159.11617	3.1
161.13219	13.9
163.14815	9.2
165.16434	9.1
167.14279	1.9
173.13269	2.1
175.14857	13.2
179.14238	2.6
179.18010	9.6
189.16426	5.7
203.17900	3.7
221.19037	2.6
227.20102	2.1
245.22668	68.8
263.23712	100.0
265.25290	3.6
315.51697	2.1
337.27374	40.3
355.28470	5.3
371.25641	4.3
389.26892	4.1
407.27905	4.2
425.28836	4.5
476.60916	2.1
510.85880	2.5
516.33875	5.7
534.34790	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	535.2155
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
55.01872	0.7
55.05508	0.6
59.05001	1.1
67.05474	0.7
69.03423	0.8
69.07058	0.7
70.06587	3.5
71.02739	1.5
72.08156	1.9
75.46033	0.5
76.02221	1.0
79.05509	0.6
80.58075	0.5
81.03428	1.4
84.04513	1.2
84.08143	1.8
86.09720	3.6
89.06030	1.7
91.05486	0.8
103.07620	0.8
105.07009	0.5
119.08620	0.7
121.10169	0.7
127.08637	0.6
129.10229	0.6
130.04987	1.0
130.29759	0.6
137.05959	0.6
141.65540	0.6
144.15222	0.6
145.56862	0.5
155.08148	0.7
162.02306	0.7
167.08131	1.1
173.02498	0.6
176.83710	0.5
177.03316	2.4
179.05226	0.8
181.05011	1.2
193.05122	0.6
200.04631	0.6
201.05534	0.7
206.04533	0.8
213.05292	0.7
215.06969	1.4
219.57439	0.6
230.62390	0.6
303.14679	0.8
309.11203	0.8
372.60779	0.7
406.17136	0.9
419.12079	0.7
535.21558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.05513	23.0
56.93716	1.6
57.03445	8.0
57.07083	9.5
60.08158	2.4
61.02932	5.8
65.03947	3.5
67.05508	81.8
69.07075	31.8
71.04998	1.6
71.08646	7.9
71.38016	3.6
77.83411	1.5
79.05499	24.8
81.07060	100.0
83.04980	1.6
83.08621	21.8
85.02921	4.4
85.06542	4.9
85.10184	3.9
86.09705	5.0
91.05473	16.2
93.07047	27.5
95.08613	87.0
97.02931	1.8
97.06538	6.3
97.10174	12.8
99.08102	4.0
104.10731	14.7
105.07045	12.6
107.08591	21.6
109.10160	40.0
111.08082	2.8
111.11727	7.5
113.09666	3.5
117.18262	1.6
119.08593	13.1
121.10151	26.6
123.08089	1.6
123.11729	24.5
125.00016	2.0
125.09603	3.1
125.13317	2.0
133.10126	19.7
135.11665	13.6
137.09647	3.1
137.13255	9.9
141.12773	4.1
147.11685	11.5
149.13258	10.9
151.14839	7.3
155.14296	3.1
161.13275	12.1
163.14803	13.6
163.26225	1.6
165.16386	9.1
175.14796	11.5
177.16306	2.0
179.17903	9.5
181.15868	1.9
184.07289	9.3
189.16434	5.3
203.17982	2.6
223.47766	1.5
245.22670	77.6
263.23727	96.8
265.25235	2.0
281.24756	2.2
337.27380	72.7
355.28479	8.3
358.45514	1.8
384.32889	1.9
534.35455	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.8
56.05032	2.8
56.31339	0.5
57.05811	1.0
57.31975	0.6
58.68777	0.5
60.04229	0.8
60.04529	13.7
69.07077	4.0
70.06597	8.3
71.51743	0.8
72.08159	100.0
74.06077	2.7
83.04998	0.5
84.04520	2.8
84.08166	3.0
85.02856	0.5
86.09711	50.0
87.05613	1.2
98.06055	5.5
98.09691	1.0
101.07148	1.1
102.05550	2.0
104.05365	1.2
112.03941	3.1
112.08799	0.6
115.08707	0.8
116.07104	16.7
125.07146	1.0
126.05518	1.1
129.10268	1.1
131.08144	2.6
143.08156	6.8
153.06587	0.6
155.11864	1.0
159.07706	2.1
161.09229	7.6
163.03992	1.2
171.07649	21.1
173.12927	2.3
183.11368	0.8
185.16499	7.6
187.10863	0.5
189.08711	8.0
213.15996	6.9
215.14005	0.5
225.12418	1.7
242.15141	2.2
243.13516	0.7
244.13033	0.6
244.33859	0.5
247.12935	17.8
247.15463	0.9
270.14502	36.9
288.12195	2.4
288.15533	29.1
312.19681	0.5
343.86810	0.6
346.19724	3.9
373.24518	5.2
383.23080	1.8
401.23993	9.0
401.29163	0.6
516.27142	0.7
534.28259	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05025	0.7
57.03432	0.2
58.06622	0.5
59.07396	0.2
60.08166	6.3
60.65302	0.2
64.06773	0.2
67.05500	0.5
69.07081	0.3
69.40533	0.2
70.76923	0.4
71.07375	2.9
71.08648	0.2
76.23565	0.2
79.05498	0.6
81.03420	0.3
81.07059	0.6
83.05012	0.2
83.08641	0.2
86.09708	32.5
91.05482	0.4
93.07050	0.8
95.04925	0.2
95.08625	0.5
98.98467	2.8
99.08104	0.3
104.10748	4.3
105.07053	0.4
107.08625	0.3
109.06499	0.2
109.10164	0.3
117.07057	0.2
119.08584	0.3
125.00010	21.6
127.79010	0.2
135.11691	0.2
147.11745	0.3
149.09569	0.2
184.07346	100.0
285.81732	0.2
516.30579	1.1
534.31940	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05040	0.6
58.06604	0.4
58.52773	0.3
60.08171	5.5
62.06057	0.3
67.05492	1.3
69.07056	0.4
71.07378	2.6
79.05484	1.4
80.07842	0.3
81.03412	0.5
81.07051	1.2
83.08584	0.4
86.09713	28.6
91.05481	0.7
93.07050	0.9
95.08612	0.8
97.06528	0.5
98.98476	2.2
104.10752	3.7
105.07032	0.6
107.08588	0.9
109.10132	0.5
119.08616	0.4
121.10150	0.4
125.00011	20.3
133.10126	0.6
148.07689	0.4
162.09222	0.5
176.72829	0.3
180.10234	0.3
184.07350	100.0
218.23866	0.3
251.20001	0.5
258.11066	0.3
316.19244	0.5
498.29694	1.1
516.30817	6.7
534.30701	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	534.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
53.18013	1.0
55.01866	4.5
55.05510	7.5
55.89582	0.9
57.03437	13.3
61.02917	1.2
65.03925	1.6
67.05505	18.7
69.03414	3.3
69.06765	1.1
69.07071	9.8
70.14223	2.5
70.14614	2.1
71.04985	4.6
79.05492	15.3
81.03419	100.0
81.07060	17.4
83.04984	8.5
83.08624	8.8
84.08144	1.1
85.02908	9.2
85.06532	1.2
91.05486	37.0
93.07053	18.3
95.04960	12.4
95.08609	13.0
97.02888	4.7
97.06515	4.8
97.10149	1.8
105.07034	12.0
107.04977	6.8
107.08585	6.0
109.06512	5.0
109.10165	6.7
111.08080	5.9
115.05457	1.4
117.07019	3.8
117.89014	1.0
119.08585	31.7
121.06512	8.4
121.10181	5.1
123.08041	7.3
125.09638	1.7
129.07004	6.8
131.08585	6.3
133.06476	3.0
133.10132	6.3
135.08044	2.3
137.09636	19.1
142.07828	1.8
145.06470	2.9
145.10117	1.8
147.08047	9.3
147.11700	5.0
149.09616	4.2
151.07567	1.5
157.10081	6.3
159.11679	1.9
161.09579	2.3
163.11221	1.4
165.09123	18.8
175.11227	5.6
183.10194	4.5
184.07336	3.3
193.12260	12.7
195.10088	1.2
199.11198	1.4
211.13313	13.4
215.18297	1.6
219.75859	1.1
225.11153	1.8
227.10655	3.6
239.12790	60.3
243.12311	1.8
246.47464	1.1
257.13837	7.3
267.15945	31.2
285.16953	12.5
311.19952	2.9
313.17914	1.4
319.18665	1.4
321.18625	1.6
329.20947	1.6
337.20050	13.2
339.19550	8.8
357.20596	11.0
387.21609	1.5
405.22809	8.4
413.23331	3.5
431.24338	44.1
441.19534	1.3
449.25363	42.5
479.54254	1.2
502.52026	1.3
516.28912	1.2
534.33154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01873	8.5
55.05512	26.9
57.03445	19.5
65.03932	4.3
67.05512	82.0
69.03424	2.6
69.07075	20.1
69.41127	19.0
71.04988	6.3
71.08630	2.8
73.02898	3.8
78.41603	2.3
79.05496	85.7
81.03424	9.7
81.07060	80.9
81.64471	2.4
83.04974	5.3
83.08634	18.3
84.03539	2.4
85.02928	2.9
85.06544	3.1
91.05488	48.2
93.07054	90.2
95.04982	15.6
95.08616	86.9
97.02882	4.1
97.06538	14.6
97.10165	2.9
99.04470	3.2
105.04546	3.2
105.07039	34.8
107.02153	2.5
107.04966	7.9
107.08604	54.5
109.06545	4.1
109.10158	22.6
111.08080	3.6
117.07024	21.4
119.08605	38.3
121.06510	8.5
121.10143	37.4
123.08103	7.2
123.11727	8.0
125.05989	4.4
125.09637	6.9
129.07050	7.7
131.08566	19.6
133.10152	20.7
135.08086	10.8
135.11700	61.2
137.13292	3.0
143.08578	7.1
145.10132	39.0
147.08015	3.5
147.11697	11.1
149.09627	5.6
149.13268	11.3
155.08574	3.7
157.10153	5.4
159.11722	10.7
161.13287	4.3
163.11206	57.6
169.10136	2.9
171.11763	3.5
173.13246	8.8
177.12744	3.3
179.86989	2.8
181.12233	6.9
183.10243	3.5
183.11729	3.5
187.14851	2.7
189.16420	3.8
191.22102	2.6
200.81383	2.5
205.19530	3.6
215.17992	19.1
227.12796	100.0
227.14960	5.0
233.19023	24.7
255.12527	3.1
277.21750	3.5
283.15411	37.9
289.21649	4.5
307.22684	98.1
405.27963	3.7
423.28796	4.3
429.72235	2.6
441.30054	5.4
487.33929	3.3
497.32700	9.1
515.33649	75.5
533.34717	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01868	1.6
57.03431	1.6
59.05009	0.9
61.02919	2.5
65.03928	0.9
67.05518	0.7
69.03432	7.3
70.06589	1.0
70.25085	0.5
71.04982	1.0
73.02906	1.2
76.13010	0.6
78.04723	3.0
79.05495	9.5
81.03436	3.7
81.03845	0.8
81.07049	1.9
83.70843	0.6
84.08147	0.7
85.02911	14.5
86.09709	1.3
87.04446	0.7
91.03918	0.8
91.05491	4.4
95.04974	2.1
96.08193	0.6
97.02898	5.8
99.04476	1.1
103.05461	3.6
104.06247	1.4
105.07040	7.8
106.04195	1.0
107.04961	18.0
108.08134	0.7
109.02865	2.1
110.09692	1.7
115.05473	4.4
116.06236	0.9
117.07010	2.1
118.04176	1.1
119.08588	3.3
120.08118	1.4
121.02891	0.6
121.06510	1.0
122.03631	1.4
123.04432	6.2
124.05199	4.2
125.05998	1.1
127.03909	3.7
128.06223	3.9
129.06996	6.3
131.04901	4.7
131.08521	0.9
132.05734	4.1
133.06508	6.0
133.10178	0.7
135.04402	0.9
135.08112	0.6
136.07625	1.0
137.05980	2.3
138.09142	2.1
141.06970	2.2
144.05705	1.8
145.04964	1.9
145.06479	1.6
146.06013	0.6
147.04402	0.8
147.08064	3.8
148.05272	0.8
149.05956	1.4
150.03114	0.6
151.03915	1.6
152.04657	2.3
153.05490	1.8
155.04939	1.3
156.05678	1.2
157.06490	0.9
159.08063	4.2
160.05205	2.4
161.06004	10.5
162.06876	0.6
163.07512	0.8
166.08611	3.0
167.07047	100.0
168.05753	1.3
169.06471	1.8
171.08040	1.6
172.03922	0.8
172.05241	0.8
173.05948	1.4
174.06709	0.6
175.07553	45.5
176.04764	1.1
177.05511	1.2
178.06262	0.7
178.07776	1.1
179.06996	1.4
179.08578	0.8
184.05272	1.8
185.05835	0.8
187.07538	14.1
189.07004	1.5
189.09125	2.2
190.07765	1.6
191.07039	9.9
191.08585	1.4
193.08606	17.6
193.10300	1.3
197.08154	0.6
199.07574	12.6
201.05479	2.2
201.09026	2.9
202.07777	1.9
203.08554	4.6
204.09421	1.1
205.10243	1.2
206.07335	2.3
209.08186	0.9
213.09119	0.8
215.08614	2.0
217.06483	1.2
217.08485	1.1
218.07295	4.0
219.08034	2.3
221.09695	3.2
229.06525	1.2
230.07393	0.8
231.08113	2.8
232.08867	1.7
233.09605	4.1
234.06778	2.4
235.07571	2.7
236.08354	0.7
243.08054	1.0
245.05965	1.4
246.06836	3.2
247.07516	3.6
248.08296	1.3
249.09128	5.5
250.09807	1.1
251.06967	1.7
259.07516	1.7
260.08380	2.5
261.09155	7.1
262.06345	0.9
262.09763	0.9
263.07086	2.6
264.07706	0.9
266.09488	0.9
271.07678	0.8
274.06302	1.4
275.06921	1.4
276.07922	0.9
277.08643	3.2
278.09235	3.2
279.10199	1.0
281.11789	5.6
289.08591	7.3
290.09296	2.0
291.06607	1.4
291.10162	2.3
292.07257	0.8
293.08459	0.8
293.11749	3.7
294.08810	1.8
295.09698	2.3
303.10571	0.9
303.94653	0.8
305.08078	0.8
306.08865	2.0
307.09723	0.7
309.11285	8.4
310.11792	0.7
311.09198	1.0
321.11218	13.2
322.11960	2.3
323.09198	1.0
325.14502	1.1
326.11472	2.3
338.11649	1.0
341.13846	22.0
345.10706	0.6
351.11929	0.9
353.13885	23.2
355.15393	2.6
368.09714	1.5
374.05582	0.7
472.46982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03932	1.3
54.34904	0.4
55.01860	1.1
55.90516	0.5
56.95296	0.5
57.96157	0.4
58.62006	0.4
65.03941	0.5
67.05499	0.8
67.13715	0.5
69.03416	1.3
69.76942	2.5
70.06585	1.5
71.04980	0.6
72.08139	0.9
78.04708	2.4
79.05504	7.1
81.03403	1.1
81.07071	1.0
84.08130	2.0
85.02904	3.5
86.09689	1.6
90.89843	0.4
91.05495	4.4
93.07043	0.6
95.04967	1.6
97.02869	0.7
97.06535	0.9
103.05466	3.4
103.80083	0.4
105.07040	7.4
106.04166	2.1
107.04960	12.5
107.08575	0.7
109.02896	0.9
109.06499	0.6
115.05457	3.8
116.06255	0.6
117.07027	1.5
118.04181	0.9
119.04946	0.9
119.08581	1.8
120.08125	0.7
121.06506	1.2
122.03661	0.7
123.04433	5.2
124.05229	3.1
124.81481	0.5
125.06017	0.8
127.03919	1.5
127.56993	0.5
128.06239	2.4
129.07018	7.0
129.10234	0.9
131.04945	4.8
131.08546	1.0
132.05676	2.7
133.06517	5.8
134.03644	0.6
135.04424	0.6
137.05980	2.5
140.04660	0.5
141.06976	1.0
143.04955	0.5
144.05704	1.3
145.04878	0.5
145.06487	1.6
147.04443	1.1
147.08052	2.3
149.05977	1.3
151.03897	1.2
151.11183	1.2
152.04698	2.6
153.05490	1.8
155.04930	1.3
155.06036	0.8
155.07127	0.7
156.05678	0.9
157.06526	0.6
158.03583	0.6
159.08060	5.8
160.05205	1.9
161.05986	10.1
163.07532	2.2
167.07050	100.0
171.08066	1.1
172.05226	1.5
175.07553	21.9
176.04710	1.1
177.05478	1.4
178.07791	1.0
179.07031	0.5
181.08743	0.6
183.53830	0.5
184.05202	1.8
187.07555	21.0
189.07036	1.5
189.09125	1.4
190.07794	1.3
191.05412	0.9
191.07042	8.7
191.08569	1.1
191.14339	1.9
193.08629	0.8
199.07556	9.6
201.05469	1.4
201.09065	0.6
202.07784	1.0
203.08505	3.3
204.09399	0.5
205.06619	0.7
205.08521	0.7
206.07281	1.7
207.08102	0.6
209.08034	2.4
209.15379	3.2
215.08594	1.7
217.06569	0.7
217.08603	1.5
218.07269	2.4
219.08080	2.3
220.08855	1.0
221.09593	3.3
223.07646	0.7
231.08192	2.2
232.08815	1.3
232.57382	0.5
233.05975	0.8
233.09592	2.8
234.06740	2.7
235.07513	2.6
237.09105	0.7
245.05769	0.5
246.06786	1.6
247.07587	1.5
248.08397	1.0
249.09111	6.0
250.10007	1.0
251.07030	2.0
260.08313	1.6
261.09131	4.2
262.06198	0.6
263.06982	1.3
266.09406	0.8
274.06348	0.7
275.07092	0.7
276.07806	0.5
277.08554	3.1
278.09341	2.5
279.10101	0.6
281.11758	7.1
288.07889	0.6
289.08646	4.2
290.09357	1.3
291.06790	0.9
291.10229	1.4
293.08594	0.7
293.11694	2.8
294.08771	1.2
295.09756	0.7
306.08890	1.5
307.09634	1.3
309.11194	8.8
310.11880	1.1
313.14429	0.5
321.11203	8.5
322.12012	0.9
325.14206	0.8
326.11502	1.3
338.11502	0.9
341.13855	26.4
353.01862	0.6
353.13882	12.6
371.15018	1.0
379.11703	0.6
533.15344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03939	1.4
55.01867	0.7
55.05513	0.6
61.02932	0.4
65.03937	0.4
66.04730	0.5
67.05502	0.4
69.03420	1.1
69.07065	0.5
70.06598	2.9
71.04961	0.5
72.08146	0.8
78.04712	2.7
79.05493	6.2
81.03387	0.9
81.07058	1.0
83.04996	0.6
84.08147	2.5
85.02908	4.2
86.09692	1.7
88.04008	0.6
91.05483	3.6
93.07085	0.5
94.76194	0.4
95.04961	1.3
95.08646	0.7
96.08139	0.5
97.02898	1.2
97.06523	0.5
99.04473	0.4
103.05476	3.4
104.06279	0.6
105.03378	0.6
105.04519	0.4
105.07027	7.6
106.04196	2.8
107.04961	12.0
107.08586	0.6
109.10139	0.5
115.05443	4.0
116.06283	0.8
117.07021	1.6
118.04119	0.9
119.04900	0.6
119.08569	1.6
121.06518	1.7
121.10129	0.8
122.03658	0.6
123.04426	5.3
123.08101	0.3
124.05205	3.8
125.06019	0.9
127.03954	0.5
128.06227	2.7
129.07002	7.3
129.10226	0.6
130.04115	0.7
131.04933	3.8
131.08580	1.4
132.05711	2.1
133.06497	5.3
133.10107	0.4
134.03645	0.5
137.05975	2.3
140.04660	0.7
141.07002	0.6
143.06056	0.5
144.05698	1.8
145.06517	1.9
147.04420	1.1
147.08057	2.3
148.05194	0.8
149.06006	1.2
150.38841	0.5
151.03902	1.3
151.11169	1.3
152.04689	2.4
153.05499	1.4
153.09044	0.5
155.04935	0.9
155.07028	0.9
156.05673	1.4
157.06523	0.7
159.08060	6.4
160.05206	1.2
161.05989	9.1
161.09605	0.5
163.07533	2.5
165.07008	0.5
167.07047	100.0
168.05794	0.4
169.06508	0.5
171.08075	1.1
172.05141	2.4
173.06032	0.5
173.13242	0.5
175.07553	20.5
176.04698	1.1
177.05452	1.1
178.07773	1.4
179.07034	0.8
179.08549	0.4
181.06520	0.4
181.08627	0.8
184.05212	1.3
185.05966	0.7
187.07553	23.0
189.07039	1.4
189.09059	1.6
190.07803	1.7
191.07042	9.5
191.08586	1.0
191.14323	1.5
191.72060	0.5
193.10095	1.0
195.07994	0.5
199.07547	8.6
201.05527	2.4
202.07823	1.7
203.08554	3.2
204.09296	0.7
205.06471	1.0
205.08546	0.9
205.10176	0.5
206.07236	2.1
207.08044	0.7
209.08049	2.6
209.15372	2.5
215.08571	1.9
217.06636	0.9
217.08601	1.6
218.07236	2.9
219.08055	1.7
220.08839	1.2
221.09642	4.1
223.07558	0.5
231.08147	2.5
232.08769	1.1
233.09589	3.2
234.06717	2.8
235.07518	2.7
241.07401	0.6
243.08078	0.6
244.11864	0.4
245.06009	1.1
246.06796	1.7
247.07536	1.6
248.08340	0.9
249.09087	4.4
250.09872	0.9
251.07079	1.6
259.07364	0.9
260.08334	1.3
261.09143	4.1
262.09760	0.7
263.06976	1.3
263.10754	0.6
264.07889	0.6
265.08627	1.3
266.09372	1.5
267.10080	0.4
274.06174	0.6
275.06982	1.1
275.10617	0.5
276.07785	0.6
277.08630	3.2
278.09344	2.3
279.06589	0.7
279.10193	0.6
281.11725	8.7
283.09683	0.5
289.08615	4.0
290.09402	1.1
291.06821	0.7
291.10144	1.7
293.08472	0.7
293.11737	2.2
294.08902	1.5
295.09604	1.2
306.08981	0.9
307.09720	1.2
309.11212	7.7
310.12021	0.8
311.09116	0.6
321.11234	7.7
322.11865	0.9
323.09012	0.5
325.10690	0.5
325.14377	1.1
326.11606	2.4
328.47928	0.5
341.13849	25.5
353.13855	11.6
365.07642	0.4
371.15051	0.6
416.64694	0.4
486.50568	0.4
533.15527	0.7
533.22577	0.5
533.31299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01863	7.2
55.05518	19.7
57.03429	7.3
57.07086	2.3
60.14628	1.9
65.03945	3.3
67.05183	2.1
67.05516	29.1
69.03441	15.1
69.07071	27.1
71.04986	8.5
71.52758	3.3
73.02896	2.0
79.05078	3.0
79.05502	44.7
81.03430	21.9
81.07064	100.0
82.07382	4.3
83.04962	4.5
83.08626	11.5
85.02906	34.8
85.06565	3.7
87.00840	16.4
91.03976	2.3
91.05491	41.8
93.07056	38.4
95.04964	8.5
95.08616	52.0
96.08918	3.1
97.02909	15.1
97.06528	7.7
97.10170	6.6
99.04458	5.2
105.01205	2.5
105.01880	38.1
105.07047	47.5
107.08593	26.8
109.02895	11.5
109.06536	4.3
109.10168	11.5
111.08083	6.3
117.07014	17.1
119.08604	20.3
120.08926	2.3
121.06525	3.1
121.10158	20.5
123.11737	5.1
125.09555	2.9
126.10027	1.9
127.03935	32.0
128.06291	2.2
129.07002	13.3
131.04967	1.9
131.08591	12.6
132.08942	2.0
133.09122	3.7
133.10149	77.0
134.10449	2.0
135.08035	5.6
135.11722	15.9
137.09598	3.1
141.06938	1.8
143.08586	6.5
145.04962	19.6
145.06123	2.3
145.06535	2.3
145.10141	8.6
147.08037	2.8
147.11717	24.6
149.09622	8.3
149.13266	5.9
151.11180	2.0
151.14806	10.8
157.10127	5.5
159.02898	4.4
159.11713	6.3
161.09619	5.1
161.13405	2.4
163.11185	3.7
165.09082	3.1
165.12729	5.6
169.10040	2.0
171.11691	10.9
173.09619	2.0
174.10011	2.0
175.11206	3.6
184.07364	3.8
185.13338	3.2
187.14854	3.2
189.16386	5.8
193.12253	3.4
199.94762	1.8
203.14288	8.8
203.17986	2.7
213.16400	31.2
227.12727	3.6
231.05014	18.8
231.17509	10.5
239.12852	8.2
249.06055	14.8
249.18538	39.5
266.21631	1.9
267.15939	3.7
279.95651	1.7
283.15442	2.1
284.09787	3.8
288.45575	1.9
291.19485	6.3
300.20526	2.6
329.11887	2.0
447.23743	6.7
514.32233	6.4
532.33795	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	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51955	13.4
55.01862	23.2
55.05506	31.0
57.03429	16.1
67.05507	87.9
69.07061	36.0
71.05001	14.0
72.08145	15.9
79.05499	67.6
81.03419	27.0
81.07059	98.1
83.02705	15.0
83.08599	19.3
91.05483	56.5
93.07046	100.0
95.04945	15.6
95.08636	66.8
97.06526	17.5
105.07038	37.7
107.08575	56.5
109.06479	16.1
109.10146	47.9
112.43940	14.7
117.07021	30.2
119.08564	52.0
121.10132	37.2
123.11729	14.3
129.06995	16.3
131.08553	43.4
133.10132	38.3
135.08017	19.1
135.11697	50.8
137.09613	15.1
145.10141	36.8
147.11699	33.1
149.09642	16.9
159.11650	28.6
163.11174	18.7
166.09409	15.4
173.13226	20.9
184.07239	19.6
184.46500	15.9
215.17979	75.8
227.12843	24.4
231.17390	22.4
232.17792	16.6
233.19098	96.4
306.21448	22.9
307.22498	21.4
325.23624	28.6
374.31046	12.6
439.27072	14.5
514.32697	33.3
532.33380	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	532.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.9
54.84716	2.6
55.01852	3.8
55.05513	17.7
57.03421	6.5
57.07068	4.8
61.02919	4.7
62.11544	2.7
65.03938	3.8
67.05511	83.1
69.07079	19.9
71.04983	3.3
71.13487	4.6
79.05078	4.4
79.05500	58.7
81.03410	8.2
81.07063	94.6
82.07359	4.2
83.04971	5.1
83.08610	12.5
85.02905	4.8
85.06548	4.9
91.05497	31.6
92.05800	3.2
93.07052	65.6
95.08616	72.0
97.06529	8.4
97.10176	6.7
99.08114	3.6
105.07047	28.1
105.52547	3.4
107.05029	3.0
107.08601	42.4
108.08929	4.1
109.10162	40.1
111.08018	2.8
117.07039	13.4
119.08604	23.1
121.10161	36.2
123.07994	3.2
123.11723	18.8
125.09619	6.9
130.08705	3.4
130.86940	2.8
131.08591	19.4
133.10136	24.6
135.08046	6.3
135.11694	32.7
137.13275	8.9
145.10146	22.5
147.11674	13.7
149.13278	25.0
159.11697	16.6
161.13254	14.5
163.14842	13.8
165.12694	3.4
173.13297	15.7
177.12836	4.2
177.16428	4.8
187.14865	7.0
199.09703	5.2
215.17932	6.5
233.19095	5.2
233.22786	5.2
243.21101	30.6
243.89787	2.6
255.12157	4.8
256.12808	3.9
259.20584	5.1
260.20987	5.5
261.22150	100.0
273.69424	2.8
275.20331	3.1
279.23230	6.1
334.24542	3.8
335.25891	31.3
353.26862	31.2
358.10876	3.2
473.29153	2.9
497.31168	3.9
514.32141	9.8
532.33484	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	531.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.9
55.01880	18.5
55.05512	37.9
59.67094	2.2
60.47062	2.0
65.03945	4.5
67.05511	68.2
69.03427	6.9
69.06736	3.3
69.07076	44.7
70.25970	2.6
70.26314	7.8
71.04981	7.9
73.06552	2.5
79.05495	70.5
81.03423	77.4
81.07056	74.6
81.07534	4.0
83.04993	11.8
83.08622	19.6
85.02892	2.3
85.06544	3.6
91.05485	77.6
93.07052	55.9
95.04971	26.9
95.08612	60.0
97.06544	18.5
97.10181	14.2
98.20822	2.6
105.07033	47.1
107.04970	19.0
107.08602	40.8
109.06512	18.6
109.10161	18.1
111.04510	2.9
111.08094	6.6
115.05444	4.0
115.75442	1.9
117.07014	28.6
118.00616	2.3
118.49094	2.1
119.04938	3.0
119.08587	57.4
121.06528	15.7
121.10159	17.9
123.08094	9.7
123.11726	6.2
125.05956	5.6
125.09639	16.3
128.06195	4.2
129.07033	16.9
130.07750	2.7
131.04961	6.6
131.08578	34.0
133.06503	7.4
133.10147	20.0
135.08051	18.8
135.11713	7.4
137.09610	19.8
141.07047	8.1
142.07805	4.4
143.07094	10.1
143.08553	16.6
145.06490	7.5
145.10133	29.0
147.08080	9.5
147.11678	24.4
149.09610	29.0
151.11203	7.5
153.09242	3.4
155.08583	8.3
157.06519	2.2
157.10115	14.6
159.08078	6.7
159.10373	3.5
159.11687	20.9
161.08276	3.2
161.09630	7.3
161.13272	2.6
163.11197	11.5
165.09111	12.0
167.08597	3.2
169.10124	10.1
171.08083	2.3
171.10342	2.9
171.11720	8.8
173.02373	2.8
173.09715	7.4
173.13315	7.7
175.11224	9.0
177.09071	4.2
177.12706	2.6
181.10120	3.7
183.10208	4.3
183.11726	9.9
185.09697	4.9
185.13319	6.9
187.11241	12.2
187.14856	3.3
189.09615	1.9
189.11290	8.8
189.12811	4.8
191.14326	3.1
193.10703	3.0
193.12181	13.7
195.11771	5.7
197.13229	4.8
199.09570	10.5
199.14893	3.0
201.11177	3.0
201.12968	2.3
201.16399	4.2
209.13348	2.9
211.14929	5.3
213.12816	2.2
217.16118	2.5
219.13885	2.1
221.13431	3.7
223.13213	3.3
225.16476	2.9
227.12724	10.5
229.15945	11.7
233.15329	2.9
239.12759	15.7
247.16928	15.0
257.19031	8.2
259.16876	2.3
265.17960	6.3
267.15918	23.8
269.19193	3.4
271.17041	2.3
275.20065	23.4
287.20200	7.9
299.20093	12.4
313.18127	3.8
315.23300	2.4
317.21060	4.4
321.20709	13.5
327.19647	2.7
329.20999	2.7
331.22714	2.8
339.19656	3.7
349.23795	5.6
373.24020	5.4
375.22339	2.6
387.21616	2.7
393.27997	2.7
403.26172	7.1
419.24344	6.7
421.27567	8.6
431.24506	2.6
439.28360	16.0
457.29593	6.6
495.30975	6.2
498.48770	2.4
513.32153	73.7
531.33209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
53.03946	9.3
55.01865	2.5
55.05515	24.5
56.42093	1.7
57.03435	10.1
57.07080	3.6
59.84274	1.6
65.03936	3.2
65.71981	1.6
66.92688	1.6
67.05510	87.8
69.07073	18.0
69.49877	1.4
69.89378	9.5
71.04993	3.9
79.05500	100.0
81.03427	10.8
81.07060	67.8
83.04990	12.3
83.08620	9.3
85.06545	5.1
87.04475	10.2
91.05490	66.1
93.07051	88.6
95.04967	18.0
95.08614	45.2
97.06527	5.5
97.10152	4.7
98.20811	3.4
99.08088	4.3
103.05466	2.4
105.04506	3.7
105.07036	47.5
107.04967	4.7
107.08601	30.7
109.06513	4.9
109.10165	17.9
111.08102	2.1
117.07021	12.7
119.08587	22.1
121.06490	2.9
121.10161	29.2
123.08061	5.2
123.11720	3.8
125.09502	2.0
129.07002	13.3
131.08586	12.7
133.06520	2.5
133.10136	20.0
135.11710	12.9
137.09711	1.9
137.13202	2.0
143.08559	7.4
145.10135	16.7
147.11699	30.8
149.13260	5.2
151.11185	2.3
157.10077	1.6
159.11717	7.5
161.09569	2.4
161.13268	6.9
163.11177	2.8
169.10152	2.4
171.11684	22.1
173.13275	7.4
178.99617	1.9
185.13370	2.1
187.14900	2.9
189.12828	8.7
207.13814	22.7
215.18008	11.1
233.19012	9.2
253.14366	2.0
281.17471	34.2
289.21506	1.8
301.16769	1.7
307.22693	70.3
313.18066	1.8
421.30832	3.4
439.31787	2.1
513.35834	89.4
531.38074	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01863	7.1
55.05508	4.0
57.03168	2.5
57.03439	47.4
61.02928	21.2
64.59955	1.7
67.05507	15.1
69.03432	41.9
69.07062	4.7
70.56632	3.9
70.56967	1.8
71.01357	30.0
71.04976	6.2
73.02922	99.8
79.05141	1.6
79.05504	16.8
81.03416	19.2
81.07056	11.7
83.04984	2.9
83.08546	2.1
85.02909	100.0
87.04457	3.2
91.03944	6.1
91.05482	21.6
93.07050	11.2
95.04980	8.3
95.08597	6.2
97.02896	86.1
98.21447	1.6
99.04417	6.2
103.05404	2.2
105.06470	1.8
105.07048	15.8
107.04956	6.0
107.08580	5.4
109.02879	9.6
109.06516	3.7
109.10163	4.7
115.03178	3.3
115.03939	43.5
115.05442	4.9
117.07012	9.4
119.04839	1.7
119.08591	8.2
121.06520	3.8
121.10126	3.8
123.04443	9.7
127.03923	36.0
128.06230	2.8
129.07002	6.0
131.08559	11.6
132.06534	3.0
133.04973	49.8
133.06473	16.0
133.10109	7.0
135.04404	1.9
135.08078	2.7
135.11694	2.0
136.87198	1.7
143.08614	3.5
145.04951	39.7
145.06467	8.6
145.10109	4.4
146.07246	2.9
147.08028	9.6
147.11716	3.9
149.13313	2.0
150.07552	1.9
155.08504	3.1
157.06479	2.8
157.10081	2.0
159.08026	6.2
159.11688	3.0
161.13255	1.8
163.06055	9.6
165.12813	1.8
169.10017	1.8
171.08061	2.0
171.11626	3.6
173.09676	2.6
175.07518	6.4
175.14850	2.3
189.09138	2.9
205.08510	1.9
211.06047	4.2
223.06046	7.2
241.07077	11.3
259.08145	5.0
259.16867	2.6
261.18610	5.2
271.62274	1.7
275.19962	1.6
285.18494	1.7
291.46674	1.7
303.19507	9.9
315.19553	3.8
333.20572	2.4
348.64273	1.8
361.57993	2.1
461.79755	1.7
477.28308	2.2
530.31232	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	531.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.4
53.03935	6.0
55.01871	9.3
55.05517	29.9
57.07059	1.6
65.03930	3.7
67.05507	56.3
69.03419	5.8
69.07076	19.7
69.23437	2.4
69.23847	12.2
71.04986	2.5
79.05499	55.9
81.03426	11.6
81.07059	47.4
82.87006	1.5
83.04971	6.6
83.08619	15.2
85.06522	3.4
91.05486	43.3
93.07050	51.2
95.04994	10.0
95.08607	30.0
97.02876	3.6
97.06554	7.8
97.10155	12.7
99.00808	5.6
99.08131	1.5
103.05441	2.1
105.06410	2.7
105.07043	35.5
107.04961	6.9
107.08607	23.8
109.02882	5.5
109.06524	5.9
109.10147	12.7
111.04417	2.1
111.08055	4.7
115.05455	2.1
117.07030	15.2
119.08588	24.6
121.06495	5.0
121.10141	27.7
123.04430	1.9
123.08072	4.0
123.11705	2.0
125.09648	10.7
128.06229	3.3
129.07033	9.2
129.67026	1.5
130.96237	1.8
131.08575	23.8
133.06436	2.7
133.10136	33.8
135.08028	4.4
135.11710	12.2
137.09579	4.6
141.06995	3.1
143.07568	1.6
143.08562	11.2
144.09399	1.8
145.06448	2.1
145.10127	17.1
147.08029	4.1
147.11726	9.6
149.09587	5.1
149.13231	5.8
151.11153	5.7
155.08554	4.3
157.10106	7.2
159.08034	2.2
159.11684	9.1
161.08391	1.8
161.09607	10.3
161.13226	5.1
163.11151	4.6
165.09035	2.3
165.12778	1.9
167.72600	1.4
169.10103	2.9
171.08081	3.2
171.11694	7.4
173.09601	2.7
173.13284	5.9
175.11165	3.9
175.14790	1.7
177.12823	2.3
179.10661	3.3
181.10014	2.6
183.11728	3.8
185.13210	5.2
187.11206	2.8
187.14809	2.1
189.09116	5.5
189.11183	5.1
195.11720	3.0
195.13849	3.1
197.13255	2.8
199.09596	2.8
199.14819	3.6
201.12752	3.0
203.17827	2.0
207.10106	1.9
209.13225	1.8
211.14746	2.6
213.16383	3.3
215.17960	5.1
221.13319	2.5
225.11124	7.9
225.16373	3.3
227.12718	6.0
231.17450	4.7
233.18996	6.9
245.15443	3.0
249.18474	2.1
257.19196	2.4
259.20654	2.3
269.17520	2.7
275.19974	3.0
281.13791	2.7
285.15692	1.7
287.19952	4.4
289.21741	1.7
291.19550	6.0
291.22491	1.7
299.14862	4.3
321.20654	3.0
375.26566	1.8
393.27820	4.1
395.29376	2.0
403.25653	2.3
411.28781	3.9
421.27386	6.8
439.28186	13.6
457.29608	8.3
485.32745	8.1
487.34171	1.8
503.33575	9.2
513.31897	41.7
518.94708	1.5
531.33081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05513	3.2
55.78831	0.4
56.05035	0.7
57.03429	0.7
57.07070	0.5
61.34830	0.4
62.06090	0.7
67.05507	6.1
69.03430	1.5
69.07070	1.9
70.06594	1.9
70.16446	1.1
71.04990	0.7
71.07368	0.7
71.08636	3.4
72.08169	3.5
73.02929	0.7
79.05499	4.1
81.03415	1.1
81.05802	0.6
81.07062	5.6
83.04977	1.1
83.07384	0.4
83.08624	0.7
84.04516	0.8
84.08120	1.9
85.02901	0.9
85.06563	0.7
86.06072	28.8
86.09698	0.6
91.05488	10.5
93.07048	6.7
94.06571	0.4
95.04969	0.8
95.08608	12.7
96.08134	8.9
97.06530	1.2
98.06049	1.4
98.09697	12.2
98.10348	0.5
98.21395	0.5
99.04456	2.0
99.08090	1.3
100.07619	1.0
105.07021	2.1
106.06580	0.4
107.08633	1.9
109.06526	0.5
109.10159	5.0
110.09687	0.8
114.09172	1.4
116.10736	69.1
117.07014	1.4
119.08588	15.4
119.33430	0.4
121.06511	0.5
121.08878	0.5
121.10169	0.9
122.09698	2.1
123.08089	1.5
124.07581	3.1
126.09174	0.9
129.07031	1.0
130.05049	0.4
131.08575	1.0
133.10153	0.4
134.09659	0.9
135.08044	0.6
135.10417	0.4
136.11235	0.8
137.09622	11.5
138.09132	1.0
140.10681	0.7
142.08636	9.8
142.12270	1.6
143.10683	8.0
147.08060	4.6
147.11671	0.7
148.11165	0.4
149.09598	0.4
150.09201	0.5
152.10699	0.6
154.12239	0.4
154.15987	0.4
155.10654	0.5
164.30374	0.4
165.09126	4.1
173.13206	0.5
181.12271	0.7
183.10204	0.8
183.13898	0.6
185.11696	0.5
186.11250	0.7
186.14912	1.3
196.16986	1.1
208.13354	0.4
209.11740	1.2
214.18030	11.7
220.16931	0.6
227.12733	0.9
234.18611	0.5
236.20117	1.4
238.18098	2.1
239.16316	0.6
245.13959	0.5
252.19646	0.5
254.21149	6.7
256.19092	3.2
262.18048	1.6
280.19107	8.6
298.20123	10.5
299.11221	0.5
316.21164	10.9
378.26889	0.4
380.22452	0.6
396.20248	0.6
396.27469	1.7
414.21231	9.6
414.28543	1.2
432.22302	100.0
433.22519	0.8
512.28619	3.8
530.16870	1.6
530.29523	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90420	0.2
55.01854	0.3
55.05506	1.6
56.05021	0.4
62.06088	0.5
67.05504	2.4
69.07074	1.2
69.82986	1.4
70.01038	0.3
70.06573	0.5
71.07349	0.6
71.08252	0.3
71.08632	4.9
72.08157	1.9
73.02892	0.3
73.76686	0.3
79.05475	1.0
81.03395	0.6
81.05830	0.3
81.07063	2.0
82.06525	0.5
83.08606	0.4
84.04507	0.3
84.08140	1.8
86.06068	9.0
91.05478	3.6
93.07045	2.1
95.04935	0.3
95.08068	0.4
95.08615	5.7
96.08128	4.5
97.06519	0.3
98.06052	0.8
98.09692	5.5
99.04433	1.0
99.08096	2.0
105.07011	0.8
107.08602	0.4
108.08133	2.4
109.10165	1.5
110.09661	0.7
112.07581	0.4
113.08418	0.3
114.09168	0.8
116.10734	32.1
119.08587	5.1
122.09683	2.0
124.07583	1.1
126.09136	0.7
134.09666	0.5
136.11174	0.9
137.09627	3.9
138.09125	0.3
140.10672	0.6
142.08650	2.6
142.12277	0.6
143.03426	0.3
143.10681	3.2
147.08063	1.3
147.35863	0.3
154.15921	2.6
164.14314	0.4
165.09074	1.4
166.15933	2.4
168.17427	0.5
170.15451	0.4
178.15892	1.1
183.10158	0.5
185.11757	0.3
196.16983	7.2
200.24966	0.3
209.11742	0.5
214.18022	100.0
215.18413	0.5
227.12830	0.4
238.18112	0.8
245.13835	0.4
254.21159	2.0
256.19086	1.2
262.17975	0.4
280.19034	3.5
297.16223	0.3
298.20120	3.1
316.21198	3.0
396.20355	0.3
396.27615	0.6
414.21259	3.4
414.27972	0.6
432.22302	25.6
512.28644	1.0
530.29645	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	530.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01855	1.4
55.05510	4.5
57.03443	2.8
58.99581	1.6
59.02375	0.5
61.02921	1.8
65.03932	0.7
67.05511	6.0
68.05019	0.8
69.03415	2.3
69.07076	3.6
70.06587	1.0
71.01347	0.9
71.04972	1.2
73.02921	10.6
79.05488	5.4
80.05005	1.4
81.03416	1.3
81.07056	6.7
82.06568	0.8
83.04987	1.1
83.08607	1.4
85.01124	0.7
85.02914	3.3
85.06538	0.7
86.00614	0.8
86.06056	1.0
86.09716	0.8
86.99052	0.7
88.03997	4.8
91.05481	7.2
93.07059	4.6
94.06573	0.8
95.08614	4.5
96.08131	1.0
97.01099	1.9
97.02910	1.2
97.06532	1.9
98.21515	1.5
99.02682	2.2
100.02191	1.0
100.11290	0.6
103.05447	0.6
105.07034	6.0
106.53755	0.5
107.04989	0.7
107.08621	3.2
109.06578	0.7
109.10141	2.5
111.02679	1.4
112.02193	1.9
115.03934	0.9
115.05455	1.4
116.06261	1.2
117.07011	6.6
119.08593	5.8
121.10155	2.2
122.02760	0.7
122.06007	0.9
123.02668	2.2
123.11700	0.6
125.04205	1.1
125.09674	0.5
128.06213	2.1
129.07022	6.0
130.07790	2.2
131.08583	6.9
132.01175	1.4
132.08060	1.0
133.04980	0.6
133.10121	3.2
135.02634	1.9
135.11682	1.3
137.04231	1.6
139.05722	1.2
139.93991	0.5
141.06975	1.2
142.07735	1.5
142.08664	1.6
143.07491	0.8
143.08551	6.1
144.08115	0.5
144.09346	1.5
145.10109	6.1
146.02702	0.8
146.09666	1.6
147.02626	1.0
147.08090	0.6
147.11620	1.3
149.04222	1.2
150.03758	0.6
150.44122	0.5
151.05768	1.4
152.05257	0.9
155.08559	1.9
157.10107	4.0
158.02722	2.4
158.08144	1.6
159.11676	3.5
160.11258	1.8
161.04196	0.9
161.09583	1.0
161.13332	0.6
163.05786	2.3
165.07343	3.0
169.10132	1.5
171.11696	3.5
173.13295	1.3
173.86621	0.6
175.05785	2.2
176.09097	0.6
177.07344	1.6
178.06990	0.7
179.08881	1.3
182.15408	0.6
183.11670	0.8
185.13300	1.4
186.12781	0.6
189.07321	1.3
191.08879	0.9
200.09454	0.5
201.16447	0.6
210.06055	0.8
212.16579	1.2
214.18117	0.8
235.20572	1.3
238.08804	0.5
259.20572	8.6
261.22217	1.2
275.20129	0.7
276.23361	1.2
277.21613	0.7
291.17825	3.4
293.19458	4.0
300.16327	1.2
334.22043	1.8
340.19418	1.8
380.22549	100.0
381.22925	0.9
398.23676	3.8
422.23703	0.9
452.25293	0.6
476.24179	0.9
512.26752	7.1
530.17151	0.8
530.33453	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34541	0.5
53.03947	1.8
55.01869	1.5
55.05516	8.4
57.03440	2.5
57.07069	1.9
61.39600	0.5
65.03938	1.2
67.05511	22.4
69.07073	7.8
69.10406	0.6
71.05000	1.3
71.08620	0.9
71.39004	0.9
74.04857	0.5
77.03942	0.8
79.05496	16.5
81.03413	2.5
81.07063	24.8
83.04986	1.3
83.08624	5.2
85.06544	1.1
91.05487	15.9
92.41249	0.6
93.07055	17.8
95.04989	2.2
95.08620	15.4
97.06541	1.8
97.10177	2.4
99.08107	1.0
101.51767	0.6
103.05463	0.5
105.04536	0.5
105.07050	15.0
107.04964	1.2
107.08610	10.6
109.06495	0.8
109.10165	5.2
111.08106	1.0
115.05493	0.7
117.07043	8.6
119.08592	11.3
119.51908	0.5
121.06525	0.7
121.10159	5.8
123.08171	0.6
123.11729	1.5
125.09617	1.1
128.06255	0.5
129.07010	5.0
131.08577	15.0
133.10136	7.0
135.08109	0.9
135.11696	4.3
137.13257	0.5
139.11223	0.9
141.07013	1.8
142.07811	0.6
143.08574	7.4
144.09358	0.6
144.13562	0.6
145.06471	0.8
145.10146	13.4
147.11713	3.8
149.13281	4.4
155.08554	4.2
157.10172	7.1
159.08170	0.8
159.11716	7.1
161.13219	2.7
163.11275	0.8
163.14833	0.8
167.08607	1.5
169.10165	3.9
171.11720	4.6
173.13203	3.8
175.14894	2.1
177.12730	0.7
181.10149	2.5
183.11732	2.9
185.13274	3.5
187.14806	3.0
189.16441	0.6
193.12241	0.6
195.11743	1.7
195.13730	0.7
197.13361	2.9
199.14813	3.0
201.16409	2.7
209.13365	1.6
211.14865	2.1
213.16475	1.9
215.17966	1.5
223.14813	1.1
225.16325	1.4
227.18036	0.9
237.16400	1.1
243.21107	0.8
256.26596	0.9
261.22009	1.0
299.23697	1.0
311.23764	0.7
317.24652	1.3
325.25250	1.3
327.27051	0.7
331.80215	0.7
339.26968	0.8
343.26291	0.8
409.34753	0.7
419.32947	2.9
437.34238	10.1
455.35535	3.1
473.36423	1.5
475.35834	0.8
493.36362	0.8
511.37823	4.3
529.38947	100.0
530.39081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
53.03946	1.8
55.01878	1.1
55.05277	0.7
55.05514	9.0
57.03434	2.2
57.07070	2.5
65.03928	0.8
67.05508	22.8
69.03466	0.5
69.07070	9.6
69.36546	3.7
71.04991	1.8
71.08640	1.1
77.03923	0.4
77.66361	0.4
79.05024	0.4
79.05495	15.5
81.03423	1.2
81.07060	23.6
83.04986	1.3
83.08619	4.4
85.06539	1.5
91.04916	0.8
91.05484	14.5
93.07048	18.0
95.04963	2.2
95.08608	13.7
97.06507	2.1
97.10191	2.5
99.08080	1.0
105.04538	0.5
105.07037	15.7
107.04958	0.5
107.08590	8.3
109.06519	0.8
109.10159	5.1
111.08108	0.7
115.05458	0.6
117.07019	8.6
119.08590	12.5
121.06557	0.5
121.10139	4.7
123.08081	1.0
123.11683	2.2
125.09639	0.7
128.06212	1.6
129.06993	6.5
131.08572	16.7
133.10132	7.1
135.11670	3.7
137.09694	0.4
141.06976	2.3
142.07777	1.0
143.08572	7.9
144.09293	0.6
145.06488	0.4
145.10133	13.5
147.08141	0.6
147.11690	5.2
149.09615	0.7
149.13261	2.1
155.08524	3.6
156.09445	0.5
157.10132	5.6
159.11702	6.5
161.13242	3.6
163.11179	0.5
163.14838	0.5
167.08589	1.5
169.10124	3.4
169.92351	0.5
171.11693	4.8
173.13268	4.1
175.11235	0.5
175.14861	1.7
177.12695	0.6
181.10179	2.1
183.11700	3.5
185.13229	4.3
187.14848	3.3
189.16364	0.9
193.12111	0.5
195.11742	2.2
195.13776	0.8
197.13260	2.3
199.14825	3.5
201.16408	2.5
209.13246	1.9
211.14870	2.1
213.16460	2.7
215.14499	0.6
215.18011	1.1
223.14865	1.0
225.16451	1.6
227.17987	1.3
229.16080	0.5
237.16440	0.9
239.17996	1.0
241.19585	0.8
243.21140	1.0
253.19504	0.8
259.20648	0.6
261.22141	1.0
265.19553	0.6
279.21085	0.5
285.22546	0.5
287.20474	0.5
287.23602	0.8
295.24036	0.4
299.23721	1.0
311.23740	1.1
313.25345	0.9
317.24707	1.3
325.25296	1.5
329.24792	0.5
339.26755	0.8
343.26190	0.6
349.25183	0.5
353.24799	0.5
409.34436	0.7
419.33160	3.2
431.31955	0.5
437.34180	10.3
437.39917	0.8
455.35117	3.5
456.18353	0.5
473.36359	2.7
475.35873	0.5
493.36847	0.9
511.37936	5.4
529.38904	100.0
530.39313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01867	1.8
55.98893	0.7
57.03446	4.8
61.02922	3.7
69.03088	1.1
69.03432	15.5
69.07088	0.8
70.06583	2.9
70.82201	1.5
71.04980	3.0
72.08139	1.1
73.02907	2.7
81.03421	5.2
81.07091	0.9
84.08150	1.1
85.02911	17.4
86.09708	5.9
87.04479	2.9
89.04919	0.7
91.05494	1.2
95.04995	0.9
97.02901	8.8
97.06519	1.3
99.04457	3.0
99.85168	0.7
109.02882	2.6
117.05666	0.8
118.06579	1.1
127.03896	2.9
129.10245	0.9
145.07614	4.1
145.09999	0.8
147.09174	16.4
149.05957	0.7
159.09178	5.3
160.10010	1.3
173.07129	1.9
173.10767	1.2
175.08673	1.2
185.10780	3.3
187.08774	0.9
191.08163	77.7
199.12331	1.1
201.10265	0.8
213.10327	1.6
216.07726	12.8
216.10968	1.0
225.10178	1.4
233.09142	0.9
259.10672	1.1
263.11301	1.4
263.13922	9.4
271.10764	1.4
289.11807	5.4
307.12894	75.2
324.15735	0.7
350.13486	84.1
469.18317	1.3
474.25812	0.8
512.18774	100.0
513.19116	1.3
517.30054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33896	1.2
53.03950	2.8
55.01872	2.7
55.05521	18.7
57.03423	6.6
57.07070	2.0
65.03938	2.3
67.05509	39.1
69.03436	1.7
69.07072	12.5
71.04967	3.9
71.52327	1.7
71.98465	1.3
78.36398	1.3
79.05082	2.4
79.05497	33.7
81.03410	5.3
81.07059	36.5
83.04970	5.1
83.08617	9.1
85.02864	1.6
85.06545	2.7
91.05485	44.7
93.06493	2.3
93.07046	35.9
95.04958	6.6
95.08611	25.7
97.02862	1.7
97.06521	4.9
97.10152	2.7
99.08114	2.5
103.05439	1.9
105.07034	42.6
105.37681	1.4
107.04939	7.5
107.08588	18.5
109.06516	3.0
109.10171	10.6
111.08068	2.9
115.05428	3.4
117.07024	16.2
119.08595	27.9
121.06538	1.7
121.10140	13.3
123.08098	3.4
123.11660	2.2
128.06201	4.1
129.05481	1.5
129.07004	16.1
131.08577	31.0
133.06505	1.9
133.10138	32.1
135.08014	4.3
135.11693	10.9
137.09630	1.7
141.06985	6.5
142.07761	3.9
143.08577	22.6
145.09055	2.4
145.10123	25.4
147.08052	2.5
147.11687	20.6
149.09601	4.7
149.13249	3.5
151.11189	2.8
153.06967	2.2
155.08554	17.6
156.09308	3.4
157.10139	22.2
159.08023	1.6
159.11720	19.0
161.09610	7.0
161.13229	9.7
163.11150	3.1
167.08559	7.6
168.09369	3.1
169.10135	16.5
171.11707	21.6
173.09579	3.5
173.13266	14.3
175.11182	3.5
175.14787	4.5
179.08536	5.2
180.09395	1.8
181.10126	11.2
183.11700	19.5
185.13237	18.7
187.11250	1.9
187.14854	4.9
189.12767	3.2
189.16446	2.1
193.10110	5.6
195.00342	1.6
195.10170	1.8
195.11729	11.8
197.09673	2.0
197.13263	13.9
199.14862	8.4
201.16429	1.8
203.14330	3.2
203.17874	1.5
207.11699	4.5
207.13724	2.5
208.12375	1.6
209.13289	8.9
211.14738	7.1
213.12766	2.1
213.16382	12.0
215.14377	2.2
219.11749	2.9
219.13835	1.8
221.13231	4.6
223.14915	6.9
225.12737	2.1
225.16373	5.4
227.18001	1.6
231.17462	12.2
233.13170	1.5
235.14870	2.5
237.16425	3.0
239.17879	2.0
241.19521	6.6
247.14784	1.8
249.16357	2.2
251.12791	2.9
251.17882	2.5
253.14285	7.3
255.20969	1.7
257.19177	2.2
259.20572	8.4
261.22229	1.9
263.18106	1.9
279.21008	2.4
281.17484	4.1
295.20541	2.8
297.22171	2.4
307.20615	3.2
321.22220	1.6
323.23660	3.2
325.21600	2.0
327.23291	2.0
333.24457	1.8
335.23654	2.0
337.21335	1.5
339.23334	2.2
353.24854	3.1
391.29953	4.3
401.28494	9.3
409.31110	12.7
417.27081	1.7
419.29404	27.5
437.30444	20.9
455.31641	15.0
473.32800	1.9
475.32022	1.8
493.33478	9.1
499.34201	2.4
501.35931	7.1
511.34232	100.0
529.35217	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	1.0
55.05278	0.6
55.05521	10.8
55.67919	0.5
57.03447	3.0
57.07070	2.2
65.03931	1.0
67.05512	24.2
69.07073	9.6
70.96615	0.9
71.05000	1.6
71.08595	0.5
79.05076	0.8
79.05504	14.2
81.03424	1.8
81.07063	26.8
83.04982	1.6
83.08623	5.6
85.06544	1.7
87.04471	0.7
91.05489	18.0
93.07053	17.9
95.04963	1.9
95.08614	14.9
95.09074	0.4
97.06522	1.7
97.10147	2.7
99.08075	0.6
103.05451	0.6
105.04530	0.8
105.07046	16.2
107.08606	9.1
109.06551	0.9
109.10179	6.0
111.08086	1.0
115.05452	0.7
117.07022	7.8
119.08599	13.5
121.06562	0.7
121.10153	5.8
123.08066	0.9
123.11716	1.7
125.09711	0.5
128.06296	0.7
129.07014	6.8
130.07782	0.7
131.07607	1.1
131.08583	18.3
131.09543	1.0
133.10149	7.9
135.08107	0.9
135.11673	3.6
137.09633	0.9
137.13245	0.9
139.11201	1.5
141.06998	2.0
142.07796	1.6
143.08578	8.7
144.09334	0.5
145.10135	15.0
147.11713	5.4
149.09598	0.6
149.13260	3.1
155.08565	4.4
156.09384	0.7
157.10149	8.6
159.11702	8.1
161.13309	2.9
163.11183	0.7
167.08536	1.1
169.10164	4.9
171.11717	6.3
173.13286	5.0
175.14885	2.5
177.12773	0.6
181.10217	2.6
182.10921	0.6
183.11713	3.8
185.13272	5.3
187.14787	4.3
189.16374	0.8
195.11754	2.1
195.13725	1.2
197.13217	3.0
198.69093	0.5
199.14859	3.5
201.16484	2.7
207.11786	0.8
209.13292	1.8
209.78389	0.5
211.14859	1.9
213.14723	0.7
213.16428	2.9
215.14449	0.7
215.17973	1.6
223.14816	2.5
225.16463	1.5
227.14378	0.7
227.18088	1.2
237.16548	0.7
239.17990	1.1
241.15967	0.8
241.19580	0.8
243.21190	0.8
261.22205	0.7
267.21112	0.5
269.19415	0.5
281.22800	1.1
285.22208	1.3
293.22668	0.6
299.23819	0.9
311.23718	1.3
313.25302	0.8
317.24786	0.6
325.25336	1.0
327.26923	0.5
339.26862	1.6
341.24927	0.5
343.26486	1.2
349.25140	0.7
351.26587	0.6
381.27728	0.7
409.34854	0.7
417.30072	0.9
419.33002	3.3
437.34235	13.8
455.35172	4.0
473.36426	1.7
493.36514	0.9
511.37790	5.9
529.38934	100.0
530.39178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
52.14006	1.0
52.37201	0.9
53.03944	3.5
54.75459	1.0
55.01864	2.8
55.05519	10.4
56.05032	1.5
57.03444	3.1
58.99597	1.0
60.04535	0.9
61.02923	1.8
65.03938	4.0
67.05508	24.0
69.03426	3.8
69.07065	5.4
69.80252	0.8
70.06597	1.7
70.47961	1.5
70.48334	1.7
71.04987	2.0
72.08137	1.1
73.02932	7.2
79.05500	22.2
80.05775	1.1
81.03422	5.3
81.07063	19.4
83.04988	2.3
83.08616	2.3
85.02918	5.1
85.06560	1.5
86.06081	1.9
87.04534	0.9
88.02222	7.1
88.04002	2.7
89.00634	1.3
91.05488	43.8
93.07047	15.8
95.04985	4.7
95.08620	8.8
96.08126	1.4
97.02917	3.9
97.06506	2.1
97.10139	1.3
98.09719	1.2
103.05482	4.0
105.04530	2.1
105.07033	19.0
107.04960	8.6
107.08585	6.1
109.06516	1.7
109.10138	4.7
112.93261	0.9
114.03745	2.7
115.05460	14.3
116.06250	3.3
116.10746	1.8
117.07031	22.0
118.06613	1.1
119.08570	9.4
121.06504	3.7
121.10169	3.8
122.02731	1.8
122.10449	1.2
123.08026	1.5
127.03950	1.1
128.06233	21.8
129.07019	21.8
130.06406	1.5
130.07813	2.6
131.04918	2.1
131.08578	21.4
132.04726	0.9
132.08916	0.9
133.06511	4.1
133.10130	3.4
134.02748	3.3
135.11682	1.5
136.06227	1.5
137.09604	1.1
139.13176	0.9
141.06981	11.6
141.07983	1.0
142.07736	5.6
142.08696	1.2
143.08575	13.4
145.06456	2.8
145.10129	9.8
146.10518	1.6
147.02708	0.9
147.08064	2.5
147.11723	2.5
153.07018	3.4
154.07811	3.9
155.06006	2.6
155.08560	11.8
156.09319	1.2
157.10147	5.3
159.08015	2.1
159.11726	2.7
160.04274	13.6
167.08585	1.6
168.09340	1.3
169.10101	5.5
171.11682	2.5
176.05258	1.2
181.10023	1.0
183.11749	1.7
197.13327	1.1
199.83545	1.0
203.14322	2.0
209.05188	1.3
210.05768	1.0
210.14978	1.8
212.16489	4.1
228.16048	1.2
230.09311	0.9
257.19052	4.2
261.01016	0.9
274.19000	1.4
280.19122	2.9
292.19064	1.0
344.16879	1.8
347.22266	1.5
348.22543	4.2
353.51221	0.9
360.16656	3.9
361.18396	1.9
378.20999	100.0
396.22070	44.7
397.22897	1.1
430.24521	1.7
432.22302	1.5
456.21863	2.0
457.24826	2.0
474.23157	2.5
475.26175	7.3
510.18500	1.5
510.25119	1.6
528.25604	1.8
528.31854	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.05521	14.4
57.03444	11.3
57.07065	4.5
57.94793	1.1
59.04995	4.6
65.03938	2.0
65.45634	0.9
67.05510	100.0
69.07074	15.8
69.94156	5.6
71.04989	3.7
71.08629	2.1
73.87144	1.0
79.05500	10.7
81.07059	46.2
82.36066	1.0
83.04974	1.1
83.08620	12.3
85.06538	2.2
89.06039	17.9
91.05496	11.5
93.07047	13.0
95.08616	28.5
97.06523	3.1
97.10149	4.1
98.20861	1.6
105.07024	3.9
107.08620	7.2
109.06554	1.0
109.10165	73.5
111.08079	4.5
112.31461	1.2
119.08585	8.9
121.10127	4.0
123.11714	4.6
130.08623	1.6
133.08606	10.5
133.10091	2.7
135.11708	2.6
135.17737	1.3
137.09579	2.6
142.20061	1.0
147.11606	1.3
155.10696	6.2
158.93353	1.1
161.13271	2.4
173.11742	17.4
177.11241	4.1
196.22679	1.2
200.90036	1.0
201.25710	1.1
222.65012	1.0
229.14369	75.7
245.22716	1.6
263.23621	3.5
327.20135	12.4
337.27390	75.9
359.79614	1.2
367.01575	1.2
491.37326	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49926	0.9
52.77783	1.1
53.03950	2.3
55.01873	3.1
55.05516	16.1
55.48737	1.1
57.03439	3.3
57.07066	2.0
59.05006	1.4
65.03961	2.3
67.05508	31.8
69.07072	8.4
71.04978	1.5
71.53266	1.6
76.45568	1.0
79.05499	23.2
81.02934	1.4
81.03420	23.7
81.07059	24.3
83.04974	3.0
83.08619	9.5
85.06554	1.5
91.05488	21.0
93.07050	23.5
95.04989	7.4
95.08613	16.4
97.10168	9.7
99.08089	1.2
105.04525	1.1
105.07041	16.2
107.04978	2.0
107.08603	13.4
109.06534	2.6
109.10170	12.7
111.08093	3.0
115.05404	1.2
117.07022	9.2
119.08600	12.5
121.10160	8.8
123.08124	3.0
123.11753	1.1
125.09641	4.6
128.06274	1.5
129.06996	7.9
129.53677	1.1
131.08583	13.2
133.10120	8.5
135.08102	1.7
135.11697	6.0
141.07010	1.9
142.07782	1.2
143.08533	6.6
145.10133	10.0
147.08066	1.9
147.11720	4.5
149.09639	1.4
149.13310	2.5
155.08589	3.2
157.10149	7.7
159.11696	8.2
161.13319	2.8
167.08679	1.5
169.10188	4.5
171.11722	5.0
173.11952	1.5
173.13199	5.7
175.11186	2.5
181.10187	1.6
183.11711	6.1
185.13286	4.0
187.14896	2.4
189.11279	1.8
193.12270	9.9
195.11716	1.9
197.13336	3.2
199.14928	2.9
201.16429	1.6
209.13287	1.6
211.14842	2.1
261.22137	3.2
301.25186	1.9
315.23264	1.2
416.00888	1.2
417.31839	2.7
435.32669	7.8
453.33585	5.5
471.34720	6.3
473.34494	1.4
494.57516	1.2
509.36346	2.9
527.37378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63652	0.8
55.05492	0.8
63.03817	0.8
65.03910	0.8
67.05489	2.9
69.07073	1.7
70.06589	4.4
72.08134	1.6
79.05490	3.3
80.05009	1.4
81.03379	0.9
81.05789	1.1
81.07079	4.5
82.06565	3.5
83.08595	0.9
84.04515	1.5
84.08152	2.0
85.02892	1.1
86.09711	2.0
89.03905	2.2
91.05457	3.5
93.07044	4.5
94.06571	8.0
95.07339	3.9
95.08594	3.2
96.08133	19.3
97.02882	1.0
97.06523	1.6
97.10132	1.0
100.11295	0.9
103.05451	1.8
106.06538	3.5
107.08572	2.0
108.04475	4.6
108.08122	15.1
108.08824	0.7
109.10133	3.3
110.09693	14.8
110.10440	1.0
111.08065	0.9
116.04989	7.8
118.01315	0.8
118.06532	1.0
120.04455	1.1
120.08112	12.0
121.06451	1.9
122.05264	1.3
122.06039	9.7
124.07594	56.0
125.43983	0.7
129.10156	1.0
134.05981	1.3
135.11699	0.9
136.06081	1.0
136.07596	12.4
137.05959	2.6
138.09154	19.7
144.04465	13.3
146.06003	10.7
148.07584	8.0
149.13167	1.5
152.07068	7.4
154.08643	1.0
156.07983	1.0
160.03934	6.6
162.05508	4.1
164.07144	1.0
166.08644	41.8
167.08925	1.5
168.06544	5.0
172.03938	44.5
173.04721	1.2
174.05508	5.4
177.05508	0.9
190.05000	71.2
204.06561	36.6
204.08487	1.8
206.08142	3.1
207.09164	1.3
221.10641	1.1
223.08521	1.0
223.12274	1.7
225.10233	1.7
235.08656	1.4
236.09344	2.1
237.10159	1.3
238.10956	1.5
239.11856	2.2
240.08968	1.4
242.18993	0.9
249.10065	1.0
251.07985	1.1
251.11783	2.9
252.08920	2.6
253.09682	2.1
254.10323	1.0
255.11394	0.8
264.08972	1.0
265.09628	1.0
267.11273	2.3
269.09338	1.2
279.11304	9.3
281.09198	3.8
285.12109	1.3
287.10229	4.2
292.27148	1.3
295.10681	2.9
297.12317	21.9
299.10315	9.4
307.10776	5.5
310.28253	1.1
311.10242	1.4
313.11728	3.0
323.10266	9.0
325.11841	100.0
329.11340	24.9
341.11349	15.3
343.12875	12.2
353.11157	1.5
357.14587	3.2
359.12442	1.0
359.29736	0.9
361.13565	2.5
373.13696	2.5
448.18408	2.4
450.20224	1.8
452.18054	7.1
466.18524	1.0
476.18234	14.2
494.19229	82.2
508.20804	7.5
526.22198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
65.03933	0.9
67.05486	2.1
69.03416	0.9
69.07063	2.3
70.06577	3.6
70.49438	2.1
70.49833	2.0
72.08138	1.3
79.05484	2.6
80.05005	1.9
81.07055	3.5
82.06577	3.0
84.08135	1.5
86.09691	2.0
89.03915	1.1
91.05488	3.7
93.05820	1.1
93.07030	3.9
94.06574	8.2
95.04974	1.2
95.07359	2.8
95.08598	2.6
96.08141	15.5
97.02933	1.2
97.06503	1.6
102.97328	0.8
103.05489	0.9
106.06556	3.6
107.08637	1.0
108.04491	4.6
108.07442	1.2
108.08120	14.0
109.10134	1.5
110.09682	13.0
116.04980	7.8
120.08102	10.7
121.06512	0.9
121.10109	1.0
122.06033	6.9
123.11674	1.1
124.07595	46.4
129.10149	1.0
134.06030	1.7
136.06442	1.2
136.07582	12.4
137.05995	2.2
138.08148	1.5
138.09146	18.6
144.04453	12.5
146.06030	10.5
148.07549	5.3
149.13268	1.9
150.20023	0.8
150.34242	1.0
152.07068	7.3
160.03975	6.2
162.05463	4.0
163.06032	0.9
164.07101	1.1
166.08649	40.8
168.06581	3.2
170.08203	0.9
172.03937	42.9
173.04681	1.2
174.05515	5.3
190.05000	68.2
191.05669	1.1
192.06508	1.6
196.09831	0.9
201.16380	1.7
204.06575	36.4
206.08157	3.6
223.12369	1.6
224.09470	0.9
225.10257	1.2
229.14482	1.3
236.09479	2.0
237.10136	1.4
240.08839	1.0
249.10228	1.2
251.11742	3.8
252.08907	2.3
253.09715	3.3
264.08966	2.5
265.09808	1.1
267.11078	2.1
273.12228	1.1
279.11267	7.7
281.09198	3.1
285.12347	1.2
287.10220	4.6
295.10782	2.8
297.12317	18.2
299.10306	6.0
307.10599	4.1
310.28293	1.2
311.10364	1.3
313.11847	2.8
323.10217	8.0
325.11832	100.0
326.12115	0.9
329.11337	24.9
341.11371	13.7
343.12991	10.1
353.11444	1.7
353.17117	1.1
357.14417	2.5
361.13794	2.7
373.13834	2.7
448.18469	2.6
450.20087	1.5
452.18304	5.8
466.18854	1.1
476.18256	11.5
485.31009	1.0
494.19250	79.8
508.20856	8.2
526.22614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05511	2.8
67.05511	2.9
69.07066	2.4
70.06596	7.5
75.01081	1.2
79.05495	5.8
79.79905	1.2
80.05013	2.7
81.03407	1.5
81.07073	2.3
82.06577	4.9
83.05037	1.1
83.08652	3.0
83.27977	1.1
85.02904	1.7
86.09708	1.4
91.05481	4.9
93.07052	16.8
94.06583	12.3
95.04959	1.9
95.07347	13.9
95.08585	1.6
96.08132	30.4
97.06535	3.9
100.07628	2.3
100.11268	11.4
103.05459	2.2
108.04496	2.4
108.08118	17.7
109.08886	2.3
110.07173	4.6
110.09687	60.8
111.04485	1.9
119.08570	1.3
120.07251	2.4
120.08111	39.8
121.06501	1.6
122.06019	2.6
123.06766	2.8
124.07610	1.8
136.07584	6.8
138.09146	67.0
146.05983	2.7
148.07573	10.8
154.08655	2.6
156.07690	1.4
159.09218	2.1
166.08652	97.5
169.07675	1.1
172.03931	3.2
182.15381	6.8
190.04927	2.6
197.07095	1.7
199.08661	7.2
200.09416	1.6
204.06592	4.8
206.08168	3.8
209.16547	2.4
210.14925	6.5
211.08707	16.7
212.09473	4.7
213.06586	4.3
213.10146	5.8
219.17348	1.2
224.09338	1.9
225.06656	5.6
225.10190	13.8
226.10925	1.8
227.08261	2.5
227.11847	5.2
227.17451	1.9
228.15968	2.0
229.09740	3.0
229.14445	2.3
237.10036	1.3
239.08188	2.0
239.11780	12.5
240.08905	2.9
241.09790	6.6
241.13441	1.9
242.10551	1.6
245.12877	11.0
245.18422	1.4
249.10179	2.0
252.08905	1.5
253.09813	14.0
254.10434	3.8
255.11308	17.1
267.11319	20.3
268.12106	2.9
273.08783	1.4
273.12186	2.8
274.75656	1.4
283.10797	19.2
285.12372	12.3
287.10266	1.7
289.05109	2.4
295.10745	15.5
297.12305	2.7
299.10342	2.1
301.11859	20.1
311.10150	3.4
313.11829	68.2
323.10349	11.1
325.11798	4.9
329.11325	44.6
341.11307	25.3
343.12897	1.5
347.12390	1.7
355.12833	2.0
361.13953	100.0
373.13919	10.9
399.23608	1.3
430.17679	1.8
444.82904	2.6
448.18402	4.5
450.19879	1.4
452.17874	1.9
453.34213	1.9
453.84366	1.3
466.20023	6.0
476.18280	10.3
494.19241	81.2
507.23294	1.4
508.20935	20.1
508.36447	1.3
517.37347	2.3
525.88171	1.5
526.21967	31.8
526.38330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
53.15525	1.1
55.01865	2.1
55.05511	4.8
65.03947	1.2
67.05497	4.0
67.37989	0.9
69.07063	2.1
70.06602	7.6
71.11938	1.8
72.08151	1.6
79.05492	4.0
80.05023	3.0
81.05804	1.8
81.07056	1.9
82.06602	4.9
83.08630	3.7
84.08183	1.2
85.02917	1.3
86.09676	1.5
91.05461	4.9
93.07047	15.2
94.06576	12.0
95.04949	2.3
95.07371	15.1
95.08605	3.8
96.08139	30.6
97.06530	3.2
100.07597	1.7
100.11276	11.4
103.05451	2.4
105.04466	1.0
107.08637	1.7
108.08133	16.6
109.08907	1.9
109.10210	1.3
110.07157	2.6
110.09691	54.5
111.04473	2.5
120.08116	37.1
121.06519	2.0
121.10172	1.4
122.06024	1.7
123.06826	2.3
124.07597	1.8
128.07091	2.5
136.07587	4.1
138.09151	67.9
146.06021	2.3
148.07600	9.2
154.08626	2.1
156.07668	1.8
159.09203	2.0
166.08658	100.0
168.06656	2.3
172.03932	2.7
182.15411	5.1
190.04982	1.5
199.08722	4.9
200.09361	1.7
201.10210	1.2
204.06546	3.8
206.08170	2.9
209.16512	2.5
210.14902	7.7
211.08691	15.5
211.12048	1.1
212.09534	4.4
213.06668	3.6
213.10152	5.7
225.06654	4.7
225.10214	14.3
226.11002	2.6
227.08145	3.0
227.11815	4.2
228.15965	2.1
229.09709	4.2
229.14449	1.9
239.08162	2.0
239.11821	10.4
239.66737	1.3
240.08934	2.9
241.09738	7.0
241.13359	1.5
242.10382	1.5
245.12851	9.7
249.10077	1.3
252.08997	3.1
253.09746	15.0
254.10503	2.7
255.07590	2.4
255.11302	16.4
267.08276	2.0
267.11292	21.8
268.12054	2.6
269.09299	1.8
269.12872	1.6
273.08804	1.9
273.12140	1.6
281.09158	1.3
283.10806	17.5
285.09253	1.5
285.12332	9.6
287.10120	1.5
289.05450	1.7
295.10822	12.6
297.12405	3.4
299.10254	3.1
301.11868	21.9
311.10239	3.1
313.11844	63.5
323.10309	12.0
325.11935	4.9
329.11353	41.3
329.14371	0.7
341.07581	1.8
341.11362	25.2
343.13037	2.2
347.12595	1.9
355.12930	1.2
361.13947	97.8
373.14001	13.4
420.19492	1.3
448.18509	3.9
452.18106	2.5
453.34683	2.1
453.83911	1.4
466.13974	1.1
466.19635	7.1
476.18164	8.4
480.21231	1.2
494.19269	78.1
508.20914	19.9
516.87671	1.3
517.37146	1.3
526.22003	30.6
526.37244	1.2
527.83795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43244	1.8
53.78093	2.1
54.37010	2.2
55.05516	13.9
57.07081	10.2
57.82143	2.4
67.05515	25.8
69.03442	9.6
69.07077	41.3
69.34620	2.0
69.48758	15.0
70.06598	16.6
71.08624	8.5
72.08171	2.9
79.05499	15.4
80.34343	2.2
81.03415	3.6
81.07066	100.0
82.07368	2.4
83.08625	18.3
84.29938	2.2
85.02913	7.6
85.06569	11.3
86.09713	8.7
91.05484	9.2
91.78847	2.4
93.07056	31.0
95.04974	4.1
95.08617	81.0
97.02914	2.7
97.06552	8.7
97.10183	8.5
98.20818	5.4
99.08098	10.6
105.07045	12.3
107.08606	31.9
109.02893	2.4
109.06561	3.1
109.10165	41.8
110.07230	5.0
110.09653	3.7
111.08086	14.2
111.11744	7.8
119.08600	9.7
121.10154	22.0
123.11720	39.9
125.09657	2.4
125.13284	4.7
131.08600	3.1
133.10130	4.3
135.11670	21.0
136.07616	3.1
137.09669	2.5
137.13272	27.9
139.11211	4.9
145.10168	2.9
147.11697	9.5
149.13281	18.0
151.14813	5.2
153.12758	16.1
155.14351	7.6
156.07724	5.5
159.09245	4.1
161.13345	6.4
163.14870	8.7
165.12819	7.3
166.08638	4.3
167.07068	2.6
171.13850	6.4
177.16399	10.1
179.17989	2.8
183.13760	5.0
189.16391	3.7
191.17976	4.9
201.14769	5.8
205.19559	3.3
217.19565	7.8
235.20599	8.6
253.21626	4.0
273.25836	13.7
279.26920	7.5
289.05347	4.3
291.26794	41.2
297.27991	10.1
309.27902	40.0
327.28958	30.5
347.29230	2.9
391.17557	3.4
468.22845	4.9
525.22296	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25546	1.8
53.03949	3.5
53.08792	1.9
55.01871	4.3
55.05513	13.7
56.79682	2.1
57.03442	2.0
57.07066	7.2
67.05191	2.0
67.05513	25.0
69.03403	5.5
69.06729	3.5
69.07069	39.3
69.73528	9.2
70.06590	15.7
71.04990	3.7
71.08633	5.4
72.08137	3.0
73.02913	2.1
79.05497	19.2
80.05046	2.4
81.03410	3.7
81.07065	100.0
83.08629	19.1
84.08153	4.0
85.02901	5.5
85.06557	13.8
86.09706	4.1
91.05500	11.5
93.06493	2.5
93.07053	41.0
94.06580	9.8
94.07423	2.8
95.04955	2.4
95.07386	12.2
95.08614	80.7
96.08155	17.6
97.02886	3.6
97.06540	7.0
97.08487	4.2
97.10194	10.5
98.21412	3.1
99.08086	6.6
100.11281	2.8
103.05500	2.1
105.07030	9.5
107.08600	37.0
108.08150	13.5
109.08459	5.5
109.10161	62.1
110.09689	31.2
111.08086	8.4
111.09998	10.6
111.11726	8.3
113.09624	2.8
119.08582	8.7
120.08105	29.3
121.08434	6.6
121.10153	26.2
123.11713	55.0
124.07631	2.4
125.09657	3.2
125.13303	3.0
133.10162	5.2
135.11713	22.7
135.92926	2.1
136.07555	11.5
137.07942	3.9
137.13266	29.9
138.09151	38.8
139.09541	12.1
139.11197	5.1
141.12737	4.6
147.11681	7.3
148.07533	9.1
149.07899	2.7
149.13261	29.7
151.14815	7.0
153.10713	2.2
153.12799	13.1
161.13268	4.7
163.14861	20.1
166.08656	65.3
167.08995	36.5
167.14328	5.7
175.14859	2.9
177.16394	12.7
179.17987	3.2
180.62900	2.3
189.16287	2.8
191.17947	8.8
203.18027	4.9
205.19534	5.1
209.20598	2.2
210.07831	2.0
210.14847	2.1
217.19473	6.1
223.08534	2.7
224.09042	3.6
225.09987	2.8
227.08125	2.3
229.15416	3.6
237.10277	9.2
238.10565	9.7
239.08183	4.3
240.08392	2.7
241.09875	2.9
242.10117	2.4
251.08212	4.0
252.08589	5.1
253.09653	6.0
254.10089	8.2
255.11298	3.3
256.11542	3.4
260.17520	2.1
261.25815	5.9
265.09741	11.1
266.10104	19.9
267.07730	2.3
267.11041	3.5
268.08020	3.1
268.11627	7.1
273.25818	15.7
279.26855	9.1
280.08014	2.0
281.09125	7.0
282.09586	12.8
283.10797	7.3
284.11066	7.5
287.09998	2.8
289.05270	3.3
291.26834	70.0
293.09125	10.4
294.09558	14.5
295.10901	10.4
296.11176	13.1
297.27942	3.5
299.10016	3.6
300.10632	4.6
309.27881	35.2
310.09106	3.0
311.10214	6.9
312.10626	8.6
314.08249	1.9
314.12219	2.4
321.08539	5.2
322.08975	7.9
327.09662	6.9
327.28918	22.4
328.10159	12.4
339.09851	8.3
340.10114	23.1
342.11615	5.3
345.29953	3.7
354.11710	3.1
359.12314	10.6
360.12680	26.3
371.12360	7.9
372.12692	15.6
389.16617	3.5
419.17978	5.8
437.18860	2.6
447.17599	10.5
449.19183	4.0
464.18262	4.4
465.18430	33.9
475.16940	7.0
479.20221	3.1
481.21408	2.9
492.18164	2.4
493.18051	55.4
507.19449	12.1
525.20184	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93466	1.7
54.12452	1.8
55.05504	11.3
57.03430	2.3
57.07071	4.6
67.05508	27.5
67.11752	2.2
69.03439	2.8
69.07074	29.1
79.05491	13.1
81.07060	100.0
83.08615	14.8
85.02905	5.3
85.06572	9.4
91.05485	5.8
93.07054	18.1
93.99133	2.0
95.08613	92.8
97.06535	4.2
97.10153	12.1
99.08090	6.9
105.07011	4.7
107.08604	30.2
109.10162	60.8
111.08092	6.2
111.11700	9.2
113.09624	2.7
121.10136	19.4
123.11711	40.7
125.09603	2.7
125.13274	2.5
133.10129	4.8
135.11711	17.7
137.13300	14.8
139.11073	2.0
147.11679	4.1
149.13258	28.7
151.14815	11.5
153.12749	5.3
155.14302	2.6
161.13313	4.7
163.14835	26.0
164.99287	1.9
165.16368	4.7
167.14249	4.7
171.13831	3.3
177.16357	11.4
179.17801	2.7
191.17970	6.9
197.83797	1.8
203.18051	3.8
217.19498	8.8
221.18964	2.0
230.42773	2.9
235.20584	3.8
247.24414	2.0
261.25815	4.1
273.25732	15.1
278.15192	2.1
279.26941	3.8
289.05313	13.2
291.26825	48.7
309.27869	22.3
311.38275	1.9
315.76785	1.9
325.43533	2.0
327.29028	3.8
345.29919	2.2
349.40442	2.5
507.22299	2.0
518.95087	2.2
525.23035	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	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
51.34032	1.0
52.79071	0.9
52.98286	0.9
53.03946	5.5
55.01868	2.9
55.05512	7.9
57.03439	5.1
57.07077	7.2
61.02932	3.0
63.84710	0.9
65.03967	1.1
67.05506	18.0
68.99786	1.2
69.03431	27.5
69.07059	4.0
69.73415	5.9
71.04987	2.2
73.02917	3.1
74.60887	1.1
79.05499	7.2
81.03419	21.5
81.03870	2.0
81.07054	11.1
83.04983	4.2
83.08605	1.4
85.02908	22.9
85.06546	74.4
87.00844	11.2
88.31501	0.9
91.05497	6.4
93.07041	9.1
95.04961	3.4
95.08611	19.5
97.02898	12.1
97.06532	4.1
99.04450	6.2
99.08099	81.1
103.05456	1.2
105.01865	5.7
105.07035	19.9
107.04929	1.2
107.08610	12.3
109.02895	13.4
109.06528	10.3
109.10163	7.5
110.07109	1.1
111.08109	2.2
112.43681	1.0
113.09625	1.4
117.01814	1.5
117.07007	2.6
119.08585	22.6
121.10155	24.1
123.08064	4.4
123.11731	5.3
125.06020	2.0
125.09628	12.0
127.03928	20.0
128.06221	1.5
129.01848	1.7
129.07027	1.1
131.08563	3.9
133.10149	12.7
135.08047	2.1
135.11748	4.8
137.09616	4.5
137.13309	1.8
139.10216	1.2
139.11198	4.1
142.07799	1.4
143.08562	5.2
145.04982	6.3
145.10123	7.9
147.02866	1.2
147.08112	1.2
147.11691	26.7
149.09610	2.0
151.11223	2.4
156.09236	1.9
156.91069	1.1
157.10123	6.9
159.02873	7.3
159.11700	6.6
161.09647	3.5
161.13274	4.4
163.11244	1.4
165.09056	2.6
165.12756	15.0
170.10915	2.1
171.11618	6.1
173.13251	4.1
175.11234	4.1
175.14789	5.1
176.34108	0.9
177.12724	1.9
179.14342	12.5
185.13280	8.3
189.12758	2.5
199.14813	11.4
201.16400	13.1
203.14319	4.5
217.15823	3.0
219.17345	1.2
231.05048	3.3
241.19460	6.9
259.20587	100.0
277.21591	7.7
287.03503	1.1
289.05325	3.9
374.16458	1.6
408.13437	1.1
463.26062	1.1
481.23746	1.6
508.19226	1.4
525.13281	1.2
525.27734	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79515	1.6
53.03927	6.0
54.32129	1.7
55.01867	5.0
55.05508	10.0
57.03428	6.0
57.07074	7.6
57.67065	1.5
61.02924	3.8
67.05509	28.6
68.05847	1.6
68.99783	3.4
69.03095	2.4
69.03434	31.2
69.04006	1.6
69.07081	7.6
70.06582	3.5
71.04988	3.3
71.52773	2.7
72.08132	2.7
73.02904	4.5
79.05496	9.9
81.02996	2.0
81.03425	23.8
81.07063	15.5
83.04977	5.4
83.08601	4.3
84.08117	1.5
85.02448	2.2
85.02912	31.7
85.06546	71.5
86.09718	1.4
87.00827	11.7
87.04490	1.8
91.03974	1.4
91.05490	8.4
93.07053	12.0
95.04961	4.9
95.08615	47.9
96.08958	10.8
97.02897	15.8
97.06535	15.5
97.10139	1.9
98.06866	2.6
99.04455	6.6
99.08100	75.1
105.01883	7.3
105.07033	20.0
107.04913	1.7
107.08609	11.4
109.02884	18.8
109.06516	9.9
109.10173	10.6
110.10406	1.6
111.04394	1.8
111.08070	2.0
113.09547	1.5
117.01814	2.0
117.07041	2.1
119.08584	24.5
121.06526	1.5
121.09336	2.5
121.10144	28.1
123.08047	6.3
123.11696	4.5
125.09650	15.8
127.03915	22.2
129.01816	1.6
131.08554	6.4
133.10138	15.0
135.08028	1.9
135.11716	3.9
137.09613	7.3
137.13245	1.6
139.11179	5.4
143.08595	4.9
145.04984	7.3
145.10124	10.4
147.11690	25.2
149.09584	2.8
149.13306	1.9
151.11179	3.7
153.12700	2.0
157.10117	5.5
159.02888	9.7
159.11700	9.1
161.09618	4.2
161.13271	5.3
163.11180	2.7
165.09122	1.9
165.12767	13.8
166.08653	2.1
170.10915	1.7
171.11673	6.8
173.13258	6.1
175.11183	5.2
175.14842	4.6
177.12781	2.6
179.14297	13.1
185.13277	12.6
189.12791	2.2
190.13466	1.8
191.14110	1.8
199.07651	1.6
199.14841	8.3
201.16354	13.0
203.14297	4.9
213.08987	1.9
213.16380	1.5
217.15848	2.7
231.05046	3.2
232.10667	1.6
241.19441	7.1
242.09052	1.7
257.18997	1.9
259.20587	100.0
277.21664	12.2
282.37967	1.5
288.13010	6.0
318.64386	1.6
326.42477	1.7
330.14014	2.0
374.16443	4.0
432.77554	1.6
434.34760	1.7
494.95380	1.6
525.27130	47.8
537.50854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01854	0.7
55.05506	2.2
57.03439	1.1
57.07072	1.0
67.05514	4.9
69.03436	3.0
69.07055	2.8
70.06573	2.1
70.36646	0.7
71.01332	0.8
71.04984	2.7
71.52631	0.9
71.53010	0.8
72.08131	0.9
73.02902	0.8
78.10332	0.6
79.05482	1.9
81.03394	2.7
81.07059	9.2
82.07389	0.6
83.01893	0.6
83.08638	1.2
84.08150	0.6
85.02905	3.6
85.06544	6.5
86.09707	1.1
87.00817	1.5
91.03909	0.7
91.05455	2.2
93.07053	4.2
95.04939	0.9
95.08604	7.3
96.08955	1.4
97.02887	2.5
97.06522	2.2
97.10192	0.6
99.08096	7.7
105.07020	3.2
107.08578	5.1
109.02866	1.8
109.10151	5.7
110.10471	1.2
111.08079	1.2
111.11700	1.1
117.56586	0.6
119.01992	0.8
119.08606	3.4
121.10137	4.2
123.08139	0.7
123.11678	2.4
125.09601	1.0
127.03905	2.6
131.08545	1.1
133.02835	1.0
133.10139	2.5
135.11711	1.1
137.09621	1.1
137.13274	1.0
139.11140	1.0
143.01862	1.9
145.10129	1.4
147.11702	2.0
149.13251	1.9
150.21021	0.7
151.14833	1.3
157.03442	0.8
157.10188	0.9
159.09128	0.8
159.11629	0.9
161.02962	1.1
161.09679	0.9
161.46530	0.6
162.85837	0.7
163.11157	0.7
165.12759	1.4
167.03217	0.7
171.11629	0.7
173.13237	0.6
175.04492	1.2
175.14848	1.3
176.15179	1.8
177.16422	0.7
179.14287	0.6
185.04199	0.6
185.13283	0.7
193.15903	2.8
194.16284	3.3
199.14842	0.9
201.16354	0.8
203.05305	2.8
203.14172	0.9
217.15819	0.7
217.19620	0.8
227.05452	1.0
239.68442	0.7
241.19511	0.8
245.06392	7.7
249.59415	0.6
259.16772	5.2
259.20566	10.0
261.18204	1.3
271.04190	1.1
277.21246	1.0
283.15350	0.8
287.03693	5.7
289.05313	86.2
291.26837	1.9
309.27466	1.2
319.17426	0.8
393.22101	1.2
481.24167	8.2
525.23022	100.0
526.23169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01865	1.9
55.05511	8.2
57.07069	2.4
59.04985	1.2
61.02917	1.3
67.05503	11.2
69.03441	8.6
69.07076	7.2
70.06577	1.5
71.04994	3.6
71.52852	1.1
79.05495	12.5
81.03415	6.6
81.07056	20.9
83.04977	10.3
83.08616	3.0
85.02899	7.4
85.06554	5.5
87.00845	2.6
91.05479	10.4
93.06499	1.3
93.07046	19.1
95.04972	3.4
95.08606	13.4
97.02877	2.7
97.06534	8.0
97.10169	2.9
98.06855	1.3
99.04440	1.6
99.08086	2.0
105.01859	1.7
105.07034	15.8
107.04951	4.2
107.08587	15.8
109.02887	2.3
109.06519	5.6
109.10165	15.4
111.04411	1.2
111.08090	1.2
113.09647	4.8
117.07050	2.5
119.08581	23.0
121.06499	4.2
121.10151	23.0
122.07293	2.9
123.08100	2.1
123.11726	7.4
125.09612	5.4
127.03909	5.0
129.07010	2.2
131.08568	3.8
133.10133	42.0
135.08061	2.8
135.11707	9.5
137.09616	25.4
139.11179	5.5
143.08623	2.0
145.10112	3.5
147.08061	4.2
147.11687	7.8
149.09622	3.7
149.13274	4.7
151.11209	10.1
157.10162	2.8
159.02951	1.3
159.08044	1.8
159.11714	4.8
161.09621	8.2
161.13255	6.3
163.04001	1.2
163.11198	2.3
165.12747	2.1
171.08040	1.3
171.11668	2.5
173.13289	2.7
175.11192	3.5
175.14818	18.1
185.13283	2.5
189.09123	1.7
189.12738	2.4
191.14255	1.8
193.15863	2.0
199.14842	1.3
201.16444	3.0
203.14366	5.6
217.15924	4.4
217.19382	1.4
227.12939	1.3
241.19536	3.9
259.20587	33.8
268.14261	1.2
270.11899	1.3
277.21631	100.0
288.13226	2.1
313.14572	1.3
314.14838	1.5
331.10007	2.3
332.15836	1.6
356.15833	5.7
367.22775	1.7
373.16617	1.4
374.16556	5.4
445.25204	1.1
500.76144	1.3
507.30261	1.2
508.19022	2.2
525.19550	2.1
525.26819	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.55504	0.2
55.05506	0.4
55.25271	0.2
56.05035	1.3
57.03430	0.6
57.07078	3.4
57.55617	0.2
58.06575	1.9
59.07388	0.4
60.08164	16.3
67.05505	1.1
68.93250	0.2
69.07071	0.6
69.17528	2.6
69.89051	0.2
70.06601	0.3
71.07371	6.2
71.08635	2.1
71.71056	0.3
81.03417	0.7
81.07051	0.8
83.08620	0.8
85.10182	1.1
86.09705	50.9
89.18325	0.2
95.08580	1.2
97.10129	0.4
98.98472	4.3
104.10743	100.0
109.10171	0.7
120.18125	0.3
125.00005	29.9
136.99985	0.3
163.01591	0.7
184.07339	97.1
194.12553	0.3
226.76129	0.2
229.53452	0.3
258.11020	1.4
267.16122	0.4
268.16422	0.4
281.22202	0.2
314.27594	0.5
333.47910	0.3
341.30542	1.6
433.66632	0.3
506.36020	8.9
524.37109	42.4
525.37396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52840	1.9
53.03947	3.1
55.05507	20.2
57.03436	16.4
57.07080	15.5
59.04998	4.9
65.03945	4.4
67.05508	100.0
67.56505	2.0
67.71535	1.8
69.03472	1.7
69.07066	12.4
69.67128	9.9
71.04998	3.2
71.08620	6.9
72.08967	1.8
79.05497	27.6
81.03427	25.4
81.07063	44.0
82.03745	5.4
82.07388	2.2
83.04962	2.7
83.08617	14.5
84.08961	2.5
85.06551	6.6
85.10200	3.0
91.05485	18.7
93.07038	28.0
93.07571	2.9
95.04969	8.4
95.08602	32.5
96.77966	1.9
97.10164	1.9
105.07059	10.9
107.08592	15.6
109.06493	2.9
109.10159	74.0
111.08108	4.4
119.08593	10.6
121.10123	11.5
123.11738	5.3
129.06973	4.2
131.08589	6.7
133.10149	5.1
135.11707	7.5
137.09547	2.2
145.10152	3.7
147.11699	4.1
149.13371	2.3
155.10652	3.8
157.10130	2.7
163.14789	2.6
169.44460	1.9
173.11754	17.1
173.13161	3.7
193.12234	8.9
194.12610	6.3
227.12695	2.0
229.14352	66.5
243.21045	4.3
260.24231	2.1
261.22043	13.8
267.15918	15.6
268.16312	11.6
313.27341	11.5
314.27661	20.0
317.24927	3.1
335.25818	68.9
415.32275	2.3
489.35764	37.5
506.39102	17.5
524.40381	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95449	0.6
56.96566	5.0
71.51131	1.1
71.95279	1.5
77.18294	0.6
80.27721	0.6
83.15604	0.6
90.39573	0.7
98.97590	100.0
108.98677	0.6
116.37688	0.6
116.98629	43.9
134.99663	12.0
140.00217	1.0
158.01225	0.9
198.97740	0.6
214.95830	0.8
216.98840	2.5
232.96765	1.3
234.99988	2.9
240.98689	11.4
256.96591	3.4
257.96970	1.3
258.99805	98.9
260.00040	1.6
261.00052	0.8
261.03107	2.7
274.97760	6.8
275.97873	2.5
277.00848	81.4
278.01050	1.5
279.01154	0.9
280.96664	0.7
282.01425	1.9
282.99997	15.3
284.00241	0.8
284.99930	1.1
292.98688	2.2
298.97855	6.3
299.97974	2.7
300.02341	2.2
300.97778	0.8
301.01031	12.4
302.01328	1.0
316.98920	7.9
317.98856	3.0
318.98886	0.9
340.99176	1.1
356.97321	0.9
359.00195	6.2
364.99301	1.4
380.97144	0.7
382.95895	0.7
382.99924	32.1
401.01031	86.9
402.01111	2.0
416.98898	1.5
419.02234	9.7
424.02713	3.0
425.01471	1.8
440.99164	3.7
441.99231	3.6
443.02158	2.5
444.02087	1.0
458.99893	1.4
460.00177	3.7
483.00104	1.2
484.00882	0.8
506.99942	4.0
525.01239	47.8
526.01178	1.8
542.98761	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	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26591	1.5
53.03948	3.7
55.01873	1.5
55.05519	12.4
57.03193	1.9
57.03443	19.0
57.07081	39.5
67.05511	19.3
68.97530	1.4
69.03424	1.9
69.07076	9.2
69.07404	1.7
69.99626	7.0
71.05010	2.0
71.08640	28.8
79.05503	12.8
81.03423	84.7
81.07069	22.0
83.04977	5.5
83.08624	24.5
85.02900	2.2
85.06546	1.9
85.10202	14.0
89.06033	1.9
91.05483	18.0
93.07052	7.1
95.04979	21.4
95.08620	20.8
97.02884	1.8
97.06536	1.9
97.10180	5.4
105.07027	12.2
105.20786	1.6
107.04966	5.4
107.08608	5.1
109.06525	1.6
109.10165	10.2
111.08102	5.3
117.07041	2.0
118.13974	1.5
119.08583	11.0
121.10157	4.9
123.11711	6.0
125.13273	1.5
129.07019	8.5
131.08585	6.6
133.06497	1.5
133.10150	3.4
137.09570	1.3
142.07756	2.1
147.08040	4.1
147.11702	5.9
149.09618	5.0
157.10136	7.3
169.68941	1.4
175.11182	6.5
193.12260	35.6
204.15425	1.3
211.13252	3.5
239.23721	5.6
249.14868	4.1
255.63402	2.0
257.24762	2.6
267.15948	100.0
313.27383	96.0
505.38940	66.0
523.40210	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
51.98641	0.8
53.03945	4.3
53.74257	0.7
55.01880	1.3
55.05516	10.5
57.03193	1.4
57.03443	16.7
57.07079	35.2
65.03947	0.9
67.05509	20.1
69.03435	1.3
69.06727	1.3
69.07070	10.2
69.16151	1.8
69.16553	7.1
71.04987	1.3
71.08637	25.1
79.05505	10.1
81.03423	87.8
81.07056	22.8
82.03796	0.9
83.04973	3.3
83.08621	24.0
85.02895	1.5
85.06548	1.7
85.10184	13.7
89.06033	0.8
91.05487	14.5
93.07034	8.0
95.04977	21.1
95.08611	22.4
97.02874	1.2
97.06564	1.9
97.10187	7.0
97.33163	0.9
103.07568	1.1
105.07036	11.4
107.04940	4.9
107.08604	3.9
109.06517	3.2
109.10164	10.3
111.04488	1.1
111.08115	4.7
111.11757	1.4
115.05479	1.1
117.07004	1.0
119.08592	10.3
121.06508	2.4
121.10160	5.6
123.08066	1.4
123.11705	2.5
129.07022	7.5
131.08603	6.7
133.06500	3.4
133.10103	3.9
137.09636	1.2
137.13280	1.9
142.07793	2.7
145.10136	1.2
147.08066	2.7
147.11707	6.4
149.09644	3.7
151.14784	1.1
157.10124	8.5
165.12862	1.0
170.68532	0.8
175.11218	7.0
193.12251	38.4
205.12262	1.2
211.13354	2.5
239.23709	5.2
249.14938	4.1
257.24710	2.4
267.15933	100.0
313.27380	97.2
313.31244	1.5
505.38925	61.5
523.39569	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29763	2.2
53.03940	5.6
55.05527	12.8
57.03447	16.9
57.06834	3.4
57.07080	50.8
67.05502	26.5
67.47276	2.2
67.80310	2.4
69.07073	12.6
70.01981	10.7
71.05000	4.0
71.08639	33.2
77.99047	2.4
79.05476	13.9
81.03423	91.4
81.07060	30.4
83.04977	7.2
83.08627	33.4
85.02908	4.4
85.10164	15.9
89.06020	3.1
91.05476	19.8
93.07056	11.6
95.04989	22.6
95.08047	3.7
95.08611	28.5
97.02927	3.2
97.06515	4.4
97.10179	8.7
98.21228	4.3
103.34794	2.3
105.07047	14.1
105.80412	2.3
107.04966	4.1
107.08588	4.5
109.06489	2.6
109.10141	14.8
111.08076	8.1
119.08561	15.7
121.10121	6.2
123.11707	3.7
129.06993	9.1
131.08578	9.1
133.10124	7.8
142.07819	4.0
147.11638	7.2
149.09578	4.5
157.10124	9.9
175.11227	8.8
193.12259	39.8
211.13342	8.1
239.23730	5.6
267.15930	100.0
273.16177	2.5
313.27359	93.7
335.58096	2.3
384.21854	2.4
386.08182	2.4
418.69241	2.6
505.31421	3.4
505.38910	69.2
523.40009	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10214	1.2
53.03942	3.5
53.96123	1.3
55.01859	1.6
55.05515	15.2
55.36628	1.2
57.03440	11.4
57.07080	43.2
67.05507	28.1
69.03428	2.1
69.07068	11.8
71.05000	1.9
71.08640	29.7
79.05499	13.4
81.03424	53.1
81.07062	34.2
83.04977	5.7
83.08624	22.7
83.23809	1.2
85.02906	17.0
85.06542	1.3
85.10187	15.2
91.05489	18.5
91.11292	1.4
93.07054	12.4
95.04975	18.2
95.08616	26.3
97.02901	1.3
97.06535	2.4
97.10182	7.1
103.49276	1.3
105.07038	16.5
107.04974	3.2
107.08599	3.1
109.06511	2.7
109.10160	14.9
111.04431	2.2
111.08080	8.3
111.11686	1.2
119.08598	11.4
121.06519	1.9
121.10184	6.4
123.11725	4.0
125.13264	1.6
129.07013	6.3
131.08559	7.6
133.10135	6.6
137.09633	1.4
137.13261	2.5
142.07788	2.2
145.10135	1.4
147.08040	2.6
147.11719	10.0
149.09654	3.3
156.26547	1.3
156.62854	1.3
156.81657	1.3
157.10176	8.5
165.12732	1.8
175.11200	10.2
179.14175	2.1
193.12267	42.9
211.13297	35.7
229.14429	2.3
229.44379	1.8
239.23601	8.2
249.14990	3.2
267.15936	29.0
267.18637	2.2
313.27380	37.1
391.73557	1.3
392.73590	1.2
505.39154	19.4
523.39996	100.0
543.98376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01859	1.9
55.05518	17.0
57.03444	19.9
57.07082	48.5
65.03923	1.8
67.05183	2.2
67.05515	33.8
69.03424	2.4
69.07077	16.5
69.93169	3.4
69.93552	2.3
71.04998	9.0
71.08641	33.0
79.05506	15.7
81.03425	100.0
81.07063	32.1
83.04993	8.3
83.08627	32.8
85.02905	5.1
85.06534	2.1
85.10186	15.5
89.06023	2.2
91.05492	25.1
93.07050	12.3
94.91637	1.7
95.04977	24.5
95.08617	28.9
97.02852	1.8
97.06519	2.7
97.10168	9.4
98.21107	4.2
99.08105	1.9
103.07607	1.7
105.07034	16.5
107.04948	6.8
107.08595	3.9
109.06526	4.8
109.10172	18.8
111.04417	2.5
111.08100	6.8
111.11723	1.8
111.70376	1.4
117.07053	1.6
119.04887	1.5
119.08601	16.5
121.06519	2.8
121.10173	7.1
123.04466	1.6
123.11692	4.6
125.13241	2.3
129.06998	8.6
131.08603	8.5
133.10153	4.4
135.11681	2.4
137.09636	4.3
142.07814	1.5
145.10130	1.8
147.08086	3.9
147.11707	7.1
149.09616	5.2
151.14828	1.7
157.10168	9.7
163.11197	2.4
175.11208	8.7
193.12251	41.1
211.13293	15.2
239.23734	5.1
249.14812	3.5
257.24725	1.9
267.15945	89.2
311.29846	1.5
313.27399	89.6
381.10312	1.3
479.37540	3.7
505.38943	58.7
523.39935	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.05515	12.6
57.03439	6.2
57.07082	31.2
65.03960	1.1
67.05514	25.2
69.03413	1.9
69.07075	9.8
71.04990	2.9
71.08640	24.7
79.05504	14.9
81.03426	33.7
81.07067	30.7
83.04996	6.3
83.08630	17.4
85.02917	14.6
85.06539	2.3
85.10196	11.0
91.05489	17.5
93.07037	10.4
94.49348	1.1
95.04986	12.3
95.08617	26.8
97.02933	1.3
97.06561	1.7
97.10183	6.4
99.08066	1.2
105.07050	14.5
107.04987	3.2
107.08618	4.1
109.06581	2.3
109.10165	11.3
111.04464	1.2
111.08112	4.3
119.08583	9.2
119.94543	1.0
121.10117	6.3
123.08042	2.2
123.11703	4.2
129.07024	5.9
129.39857	1.1
131.08545	6.3
133.06525	1.4
133.10146	5.7
137.13287	1.4
145.10176	1.3
147.08095	2.4
147.11708	7.8
149.09639	3.5
157.10133	6.0
165.12798	1.1
175.11200	9.0
193.12253	28.7
211.13313	31.6
229.14418	1.3
239.23706	5.8
267.15918	14.4
312.18033	1.2
313.27377	16.9
389.88623	1.4
505.39154	9.4
523.40063	100.0
540.11011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00548	2.3
53.03934	5.1
55.05520	13.3
57.03441	22.8
57.07082	45.5
65.03958	2.1
67.05180	3.2
67.05508	37.0
69.03429	3.6
69.07072	14.2
70.67838	2.6
70.68153	3.7
71.04993	3.0
71.08302	2.5
71.08639	32.6
77.76154	1.9
79.05492	22.6
81.03423	98.8
81.07063	31.9
83.04973	8.6
83.08619	24.6
85.02926	2.6
85.10184	16.4
85.18105	2.3
91.05483	25.4
93.07078	13.8
95.04974	28.3
95.08620	29.1
97.10156	6.1
98.20782	3.1
102.79844	2.0
104.10710	2.9
105.07052	16.1
107.04928	5.7
107.08595	7.8
109.06483	2.8
109.10194	15.9
111.08076	5.8
119.08582	15.4
121.06520	2.7
121.10106	6.5
123.08060	3.5
123.11692	3.4
129.07018	7.6
131.08557	9.3
133.06509	2.8
133.10110	5.1
135.11688	3.0
137.09618	2.9
137.13272	2.6
147.11687	9.3
149.09647	5.7
155.10809	2.3
157.10152	4.4
165.12717	4.0
173.28740	2.4
175.11168	11.8
179.14268	8.2
184.07245	2.7
188.30412	2.0
193.12259	44.6
211.13269	7.0
229.14439	13.7
239.23705	6.8
249.14697	2.6
267.15936	100.0
277.21674	5.7
313.27380	99.6
313.30188	1.8
351.25247	2.9
505.39282	59.3
523.39923	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01868	2.6
55.05272	1.1
55.05516	14.9
57.03444	19.0
57.07082	49.1
60.57059	0.8
65.03937	1.5
67.05509	26.9
69.03415	2.8
69.07072	12.6
70.92010	2.4
71.04994	1.5
71.08639	31.8
79.05502	15.5
81.03424	93.9
81.06594	1.6
81.07061	28.9
83.04988	5.1
83.08162	1.8
83.08627	26.0
85.02911	2.8
85.06542	1.8
85.10188	15.5
89.06039	1.1
91.05492	17.2
93.07059	8.9
95.04377	1.4
95.04978	26.0
95.08610	26.8
97.02889	2.5
97.06508	1.8
97.10186	7.7
105.07040	14.5
107.04975	6.4
107.08593	5.5
109.06524	3.1
109.10169	11.0
111.04424	1.3
111.08104	8.4
111.11752	1.2
115.05428	1.6
117.07021	2.0
119.04924	1.3
119.07793	1.6
119.08578	13.9
121.06506	2.9
121.10148	5.7
123.04414	1.0
123.11712	2.6
125.13277	0.8
127.51250	0.8
129.07010	8.7
131.08571	8.7
133.06494	2.8
133.10135	4.7
135.11699	1.9
136.12082	0.9
137.09630	1.7
137.13235	2.0
142.07785	3.4
145.10178	1.8
147.08051	2.8
147.11697	7.3
149.09653	5.5
157.10146	8.5
163.11234	1.7
165.12738	2.1
175.11205	9.0
193.12256	42.4
195.89310	0.8
204.62816	1.0
211.13309	7.3
228.13145	1.5
230.31538	0.9
239.23698	7.4
244.40909	0.8
249.14900	2.9
257.24796	1.5
267.15933	100.0
280.08990	0.9
313.27386	98.8
505.38925	63.6
523.39819	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	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21513	2.0
53.03934	3.9
55.01886	2.2
55.05509	13.1
57.03427	4.7
57.07067	6.4
59.05005	2.4
61.02917	7.8
67.05183	3.0
67.05510	43.4
69.03451	8.7
69.07070	25.6
70.06580	7.9
71.04993	5.3
71.52940	2.6
72.08150	6.7
73.02926	2.1
79.05494	11.4
81.03408	3.7
81.07060	100.0
83.04954	3.0
83.08615	13.6
84.08144	2.3
85.02914	17.3
85.06550	16.4
86.09689	2.2
87.00826	3.6
91.03954	5.1
91.05460	9.9
93.07047	19.6
95.04966	3.8
95.08611	67.3
97.02895	6.1
97.06532	7.8
97.10160	6.0
99.04444	3.9
99.08086	5.8
105.01890	2.5
105.07039	15.9
107.08601	25.0
109.02866	5.0
109.06533	4.0
109.10162	94.5
110.09675	4.9
111.08070	6.4
111.11734	3.5
117.06973	2.3
119.08593	13.0
120.08134	3.0
121.06499	3.6
121.10170	17.3
123.08081	2.7
123.11712	78.9
125.09628	3.6
127.03929	6.2
127.11192	3.5
129.10287	1.9
131.08606	4.9
133.10106	9.6
135.08083	2.1
135.11719	12.5
137.09625	4.8
137.12363	1.8
137.13246	12.6
139.11131	3.8
141.12703	2.1
143.08595	2.0
145.04939	2.4
145.10149	5.8
147.11746	9.4
147.12680	1.9
149.13258	14.9
151.11162	2.8
155.10747	2.4
157.10098	3.4
159.11700	6.7
161.13263	9.3
163.14809	6.4
165.12776	5.4
169.12216	2.5
171.11606	2.6
173.13300	5.3
175.11230	2.3
175.14848	6.1
177.16478	2.7
179.14265	3.1
183.13785	1.8
187.13300	7.6
187.14784	2.1
189.16440	4.1
191.17989	4.8
193.15865	4.8
199.14755	2.9
201.16559	2.3
203.17859	1.9
205.19618	4.6
215.18040	3.3
219.20921	2.0
225.18375	2.0
227.57036	1.9
229.19621	2.2
233.19072	2.3
239.17947	3.8
257.19003	7.1
259.24130	2.3
271.24265	8.6
275.20032	6.6
277.25290	17.5
289.25269	27.8
295.23157	2.6
295.26328	34.4
307.26334	81.1
325.27359	10.5
523.21283	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	523.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01861	1.1
55.05513	4.3
57.03436	0.9
58.08894	0.2
61.02903	0.3
65.03944	1.1
67.05509	21.5
68.99784	0.7
69.03085	0.4
69.03431	6.0
69.07063	0.8
69.89319	0.5
69.89711	0.6
70.06594	0.4
71.04987	0.9
73.02915	1.0
77.03929	0.3
79.05498	2.2
80.06268	0.3
81.03425	6.0
81.07050	2.0
83.04971	0.3
83.29364	0.2
85.02912	7.7
85.06554	0.6
87.00834	3.3
91.03970	0.6
91.05494	2.0
93.07050	5.4
95.04984	1.3
95.08612	100.0
97.02896	4.1
97.06533	1.4
99.04461	1.7
105.01871	1.8
105.07034	1.9
107.04951	0.9
107.08591	1.6
109.02880	5.2
109.06533	1.0
109.10189	0.7
111.08095	0.5
115.03904	0.5
117.01849	0.5
117.07015	0.4
119.08588	2.1
121.06565	0.4
121.10139	1.2
123.04380	0.2
123.08083	0.5
123.11750	0.5
125.09695	0.3
125.15747	0.3
127.03933	7.0
129.01845	0.7
131.08586	0.8
133.10109	1.3
135.08105	0.4
135.11726	0.5
137.09647	0.7
137.13312	0.3
142.07751	0.3
143.08609	0.3
145.04987	2.1
145.10158	1.0
147.02872	0.5
147.08089	0.6
147.11665	0.5
149.13268	0.4
151.07570	0.5
156.09309	0.3
157.10120	0.4
159.02890	2.3
159.11740	0.9
161.09651	0.5
162.10338	0.3
163.11238	0.3
163.14949	0.3
165.09123	0.4
167.07111	0.4
171.11739	0.6
173.13289	0.4
175.11154	0.4
183.11797	0.3
189.12762	1.7
197.13168	0.3
213.03865	0.4
219.13937	0.4
231.05060	1.1
232.44093	0.3
257.19016	8.9
275.20044	1.7
384.81073	0.3
479.26413	0.7
512.09650	0.3
523.25543	8.8
542.51233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05505	1.8
56.05032	0.6
56.94378	0.4
57.07058	0.8
58.06606	1.3
59.07389	0.5
60.08165	17.0
67.05508	1.4
69.07061	1.9
69.63898	2.2
71.07379	5.5
79.05478	0.9
81.07055	1.5
83.08615	1.2
86.09707	50.6
91.05473	0.4
93.07048	1.1
95.08601	1.0
97.10180	1.0
98.98457	3.4
104.10745	100.0
107.08524	0.4
109.10155	0.5
118.02898	0.4
121.10143	0.6
125.00010	28.2
146.62746	0.4
157.87973	0.4
163.01561	1.0
184.07344	97.3
258.11169	0.7
339.28967	1.3
409.20898	0.4
504.34525	10.4
522.35559	38.6
523.35889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05038	0.6
57.03425	0.2
58.05976	0.1
58.06329	0.2
58.06625	0.4
59.07390	0.1
60.08167	5.9
60.36670	0.1
67.05492	0.4
69.07084	0.5
69.27637	0.7
70.06594	0.2
71.07376	2.9
79.05470	0.2
80.80429	0.1
81.07056	0.3
83.08614	0.3
85.10262	0.1
86.09710	31.1
87.10046	0.1
93.07042	0.2
95.08622	0.3
96.25819	0.1
97.10181	0.1
98.98468	3.0
104.10751	3.1
109.10126	0.1
113.33558	0.1
118.35217	0.1
121.10172	0.1
125.00011	20.4
130.45467	0.1
184.07349	100.0
185.07655	0.1
258.11136	0.2
339.28903	0.2
431.28604	0.1
504.34665	1.3
512.32208	0.1
522.35565	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01863	0.9
55.05515	3.5
57.03420	0.7
61.02927	0.6
62.11545	0.2
65.03944	1.3
67.05506	21.2
68.99786	0.6
69.03088	0.4
69.03434	5.4
69.07060	0.8
70.76651	0.7
71.01350	0.3
71.04979	0.7
73.02935	1.2
79.05481	1.3
80.06253	0.2
81.03419	5.6
81.07058	1.6
83.05000	0.2
85.02908	6.6
85.06541	0.7
87.00832	3.5
89.69017	0.3
91.03960	0.3
91.05492	1.5
91.09090	0.2
93.07046	5.1
95.04967	0.7
95.08610	100.0
97.02898	3.3
97.06543	0.6
99.04448	1.8
103.03956	0.3
105.01865	1.5
105.06409	0.2
105.07037	1.5
107.08590	0.6
109.02151	0.3
109.02880	4.0
109.06526	0.9
109.10172	0.7
115.03942	0.3
117.01887	0.6
117.06990	0.4
119.08574	1.4
121.06496	0.4
121.10159	1.0
123.08049	0.3
123.11676	0.4
127.03919	6.1
129.01846	0.6
129.07014	0.4
131.08569	0.4
133.10149	0.8
135.08081	0.3
137.09625	0.3
143.08635	0.6
145.04956	2.1
145.10135	0.8
147.02925	0.3
147.08040	0.5
147.11714	0.8
151.07547	0.4
155.08640	0.2
157.10202	0.7
159.02875	2.4
159.08034	0.4
159.11723	0.5
161.09648	0.6
161.13338	0.4
163.11235	0.3
165.09209	0.6
165.12801	0.3
171.11758	0.4
173.13280	0.4
189.12772	1.1
199.14803	0.3
213.03951	0.3
219.13760	0.4
231.04951	1.3
239.17825	0.2
257.19006	8.9
275.20093	0.6
523.25458	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.5
64.17239	3.4
66.07834	3.5
67.05476	12.5
69.03426	8.7
69.07059	13.8
69.31126	3.5
70.06575	3.6
71.04968	16.0
71.52285	6.2
72.08138	7.8
73.02932	4.0
79.05498	24.9
81.03400	7.1
81.07063	85.0
83.08617	9.1
84.08146	4.0
85.02892	23.8
85.48856	3.2
86.09689	4.0
86.79740	3.7
87.00805	7.7
91.05464	19.2
93.07035	30.4
95.04968	3.9
95.08605	31.4
97.02873	9.4
97.06528	11.2
99.04440	5.1
99.08107	4.8
99.42186	3.6
105.01863	11.9
105.07039	46.7
107.08604	39.8
109.02845	7.9
109.10160	32.8
113.09615	4.8
119.08589	78.4
120.08138	3.8
121.06516	4.4
121.10143	13.6
123.11676	15.4
125.09597	5.2
127.03898	11.5
127.11178	28.9
131.08536	3.8
133.10127	39.8
135.10713	5.3
135.11694	79.8
139.11166	6.3
143.10655	10.5
145.04973	6.9
146.50569	4.1
147.04454	9.9
147.11742	17.3
149.13243	8.8
161.13264	14.3
162.19711	3.6
173.63251	3.9
175.14874	5.0
203.17966	64.5
221.19025	100.0
231.05043	4.4
243.21306	3.8
353.13907	6.8
402.88025	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21791	1.7
52.19885	1.8
53.03948	4.1
55.05515	9.0
57.07077	3.4
59.04999	2.3
67.05508	8.1
69.03415	6.6
69.07079	14.6
70.53134	4.1
70.53477	2.5
71.05000	21.0
77.54623	1.7
77.96547	1.7
79.05500	24.3
81.03395	4.5
81.07065	98.3
83.08616	3.6
83.10139	2.1
85.02918	15.7
87.00826	9.6
91.05482	9.9
93.07047	36.0
95.04979	3.5
95.08616	27.9
97.02898	7.7
97.06503	3.7
97.10153	1.9
98.21506	2.0
99.08090	6.2
105.01876	14.6
105.07046	41.9
107.08603	48.2
109.02884	3.4
109.10160	39.0
111.08089	2.2
117.07035	3.3
119.08590	79.9
121.06498	2.6
121.10137	12.0
123.11717	20.7
125.09637	5.6
127.03949	11.0
127.11205	26.9
133.10139	38.7
133.11115	3.3
135.11699	100.0
137.13278	2.7
143.10666	11.2
145.05006	5.3
145.10115	3.7
147.11691	24.4
149.13289	7.7
153.12764	7.8
159.11771	2.7
161.13309	14.0
163.14818	5.0
165.12767	2.9
175.14809	3.9
177.16415	3.6
181.72209	1.9
203.16061	4.0
203.17966	73.3
219.17470	2.3
220.17807	3.2
221.16855	3.5
221.19031	70.1
239.20117	2.3
249.06032	5.0
545.96063	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	522.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
59.51611	0.6
67.05502	1.1
69.03449	1.0
70.06579	0.9
77.03938	1.1
78.04724	1.8
79.05509	5.0
81.03423	34.1
81.07060	1.7
82.43050	0.9
85.02895	1.3
91.05489	9.8
91.18172	0.7
93.07050	9.1
94.04203	1.8
95.04964	3.5
97.06458	0.9
101.01133	0.7
103.05470	12.1
105.07063	1.4
106.04191	1.0
107.04961	7.8
109.06554	1.6
109.93462	0.7
113.06232	0.8
115.05460	13.8
116.43542	0.9
117.07026	12.1
119.04961	2.4
119.08551	1.2
121.06509	54.8
121.10133	1.1
122.03667	3.0
123.04441	6.3
124.05206	3.3
125.06023	0.9
128.06258	1.0
129.07013	1.0
131.04950	11.1
131.08571	0.8
132.05763	1.6
132.92049	0.8
133.06528	0.9
135.04451	1.1
136.03957	1.1
136.07568	1.3
137.05981	55.5
138.09129	1.3
140.04663	2.5
143.04936	6.4
144.05756	4.0
145.06480	17.4
146.03651	5.2
146.07318	0.8
147.04440	1.2
147.08072	2.7
151.03923	4.0
152.04713	1.8
152.07091	1.0
153.05481	2.2
155.06050	2.5
155.07098	1.5
156.05640	1.2
160.05205	13.4
161.05991	13.3
163.07571	6.0
164.07095	5.7
167.07047	100.0
171.04521	1.0
172.05226	5.2
173.05989	16.0
175.07547	54.5
176.04742	1.2
177.09113	2.4
181.04944	1.6
187.07545	33.2
189.07025	1.1
190.06274	7.3
191.07045	5.7
192.07854	1.5
193.08463	0.8
201.05406	4.1
201.09039	1.2
203.07027	1.4
203.18042	1.0
205.06642	1.1
205.08614	16.6
206.07550	0.9
207.08162	0.8
207.10191	1.4
216.10242	1.1
217.08513	4.5
221.09705	1.4
221.18907	1.0
231.06599	2.1
233.08102	3.5
234.06886	3.1
234.41650	0.8
235.07614	1.9
235.09656	27.6
235.11549	1.0
241.08705	0.9
247.07520	1.5
248.08516	1.4
249.06351	0.8
249.09093	4.5
251.07115	1.9
262.06174	1.1
263.07166	1.2
264.07816	1.1
265.08551	1.4
266.09418	2.2
267.10193	1.2
277.08606	4.0
278.09479	1.4
281.11734	3.3
289.10748	6.2
295.09531	1.3
309.11304	7.0
314.11597	1.1
326.11441	2.4
338.13849	3.6
339.12225	2.7
340.15295	1.2
341.09943	1.5
341.13861	20.1
350.14017	0.9
355.11691	2.1
363.80988	0.8
367.11871	1.5
368.15042	5.8
370.16620	3.8
384.14670	1.1
385.12906	1.1
386.15930	1.1
398.15952	2.7
492.20154	2.7
504.19724	2.5
522.21289	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64793	1.2
53.03949	5.0
55.01870	5.3
55.05516	43.5
55.05791	2.0
57.03435	17.2
57.07082	15.7
67.05187	1.5
67.05515	24.8
69.03430	2.0
69.07070	40.9
71.04983	3.4
71.08649	9.6
79.05502	24.4
81.03422	84.8
81.07062	28.4
83.04987	9.1
83.08624	51.8
85.02908	5.9
85.06566	1.8
85.10188	2.0
87.85825	1.3
91.05485	25.2
93.07050	18.7
95.04974	26.5
95.08612	14.4
97.02912	3.0
97.06539	3.5
97.10173	26.3
99.08036	1.1
105.07040	18.2
107.04980	6.5
107.08613	8.6
109.02934	1.5
109.06551	4.3
109.10181	4.5
111.04496	1.9
111.08086	6.6
111.11726	6.8
116.79141	1.3
116.99623	1.1
117.07016	2.2
117.59121	1.5
119.05013	1.4
119.08591	15.6
121.06570	2.9
121.10152	10.6
123.04457	1.3
123.08104	3.3
123.11724	2.0
125.09643	1.8
125.13272	1.4
129.07022	10.5
131.08586	9.9
133.06465	2.5
133.08661	1.4
133.10118	8.8
135.11719	5.5
137.09660	2.9
137.13251	1.2
142.07787	2.2
143.08643	1.7
145.10121	2.2
147.08092	4.0
147.11678	9.5
149.09647	4.8
149.13225	1.3
157.10149	10.1
163.11206	2.1
165.12837	1.7
175.11179	11.1
184.07117	1.3
193.12257	49.3
211.13300	16.4
215.41212	1.1
224.65782	1.1
226.08472	1.4
229.46751	1.4
237.22101	6.0
249.14803	1.8
267.15930	100.0
303.19611	1.7
309.17093	2.9
310.56479	1.3
311.25815	58.1
429.33728	3.6
503.37387	31.2
521.38416	57.7
521.46680	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01862	0.9
67.05470	0.8
70.06573	1.4
70.66731	2.1
77.03901	0.7
78.04716	2.0
79.05508	4.3
81.03421	35.5
81.07064	1.1
85.02889	0.8
85.50900	0.7
86.09723	0.9
91.05484	7.5
93.07047	6.5
95.04960	2.4
103.05465	9.0
105.04517	1.4
105.07047	1.7
106.04169	1.5
107.04965	8.9
109.06500	1.5
115.05461	12.7
117.07027	8.7
118.04192	0.9
119.04938	1.0
119.08585	1.4
120.08071	0.9
121.06510	46.8
122.03635	3.0
123.04429	6.9
124.03931	0.7
124.05190	2.2
129.07011	1.4
130.04132	1.0
131.04936	10.3
132.05661	1.5
133.06496	1.2
136.07585	1.3
137.05986	31.1
138.09142	1.3
140.04694	1.4
143.04950	5.9
144.05696	2.6
145.06483	15.5
146.03633	4.9
147.04388	0.8
147.08020	1.9
151.03915	3.7
152.04694	1.5
153.05469	1.4
155.04953	1.0
155.06042	2.4
155.07074	1.7
157.06583	0.9
160.05212	10.4
161.05986	14.5
163.07564	6.2
164.07043	5.6
165.05486	1.8
167.07043	100.0
172.05188	4.2
173.05998	12.7
174.06740	1.2
175.07553	52.3
176.04713	1.1
176.43587	0.8
177.05498	0.8
177.09100	1.7
181.04945	2.1
181.06432	0.9
187.07553	32.4
189.05508	0.9
190.06279	4.9
191.07094	4.1
192.07809	1.2
201.05461	4.7
201.09116	1.2
202.06326	0.7
203.06949	1.2
205.08630	13.3
206.07317	1.6
207.10141	1.2
217.06699	1.0
217.08586	3.7
219.08119	1.0
221.09641	2.0
222.06845	0.7
223.07706	0.8
231.06543	1.9
233.08084	3.1
234.06799	3.3
235.07596	2.0
235.09660	28.9
237.09137	1.5
247.07477	0.8
249.09103	5.3
251.07071	1.3
262.06207	1.2
263.07129	1.2
265.08670	1.2
266.09351	1.4
267.10257	0.8
277.08624	5.9
278.09796	1.0
279.10135	0.7
281.07983	0.6
281.11771	2.6
289.10727	5.1
294.08679	0.8
295.09793	1.6
300.09647	0.8
307.09567	1.0
309.11176	7.6
311.09006	0.7
313.10858	1.5
314.11584	1.8
326.11459	2.7
338.13882	2.2
339.12234	2.5
341.13840	18.8
355.11795	1.5
367.11600	1.3
368.14902	6.5
370.16599	4.2
385.12766	1.5
398.15826	3.0
402.15320	0.9
492.20004	1.9
504.20190	3.1
522.21240	18.0
522.28937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26661	0.7
53.03948	3.6
54.46809	0.6
55.01852	2.6
55.05513	29.0
57.03439	15.9
57.07079	12.3
65.03924	0.8
67.05508	16.9
69.03403	2.2
69.07071	29.9
71.04980	1.8
71.08637	6.7
72.04371	0.6
79.05499	15.2
81.03421	81.1
81.07063	19.1
83.04986	5.2
83.08622	39.4
83.09110	0.9
85.02885	1.7
85.06512	0.8
85.10197	4.1
86.64310	0.6
88.96249	0.6
91.05485	17.5
93.06488	1.1
93.07043	13.1
95.04383	1.3
95.04975	18.7
95.08067	1.0
95.08614	12.2
97.02875	2.5
97.06519	3.1
97.10174	17.6
99.04476	0.7
105.04464	0.6
105.07042	12.2
107.04947	5.4
107.08592	7.7
109.06488	2.8
109.10171	3.5
111.04440	1.3
111.08093	5.1
111.11724	4.4
115.05434	1.0
117.06996	2.5
119.04944	1.0
119.07819	1.0
119.08596	13.4
121.06482	2.6
121.10152	8.0
123.04437	1.3
123.08057	1.1
123.11749	1.7
125.13254	0.7
128.06117	0.6
129.07016	7.1
131.08562	7.5
133.06461	1.8
133.10146	4.7
135.08049	1.8
135.11688	6.9
137.09641	1.3
142.07759	2.4
145.10097	3.0
147.08009	2.9
147.11697	6.5
149.09602	4.0
151.11234	0.7
157.10123	8.7
159.11703	0.8
163.11211	7.7
165.12711	2.8
175.11200	9.0
181.12218	1.7
193.12248	41.7
209.09113	0.6
209.11629	1.2
211.13309	4.7
227.12814	12.0
237.22182	1.3
242.47049	0.7
249.14755	3.2
267.15924	100.0
311.25812	60.1
319.41837	0.6
365.95590	0.7
429.33682	2.4
503.37323	34.3
521.38367	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01861	1.7
55.05515	25.5
57.03161	0.9
57.03440	16.7
57.07079	10.2
65.03931	1.0
67.05197	0.9
67.05511	14.7
69.03423	2.5
69.07073	26.8
70.17783	0.7
70.18120	2.1
71.04976	1.7
71.08632	7.4
79.05073	1.0
79.05500	14.1
81.03423	78.5
81.07058	12.7
81.46658	0.6
83.04995	3.5
83.08625	31.8
85.02914	1.2
85.10178	2.7
91.05488	15.7
93.07053	9.6
95.04977	20.3
95.08620	6.6
97.02872	1.5
97.06525	2.3
97.10178	15.9
98.21416	0.9
105.07033	11.2
107.04964	4.2
107.08594	6.1
109.06516	4.1
109.10187	1.9
111.04457	1.1
111.08080	6.7
111.11739	3.4
113.37065	0.6
115.05460	0.9
116.06296	0.8
117.07020	1.2
119.04987	0.7
119.08588	10.2
121.06507	2.4
121.10153	7.8
123.04430	1.0
123.08074	1.3
123.11696	0.7
125.09629	0.8
125.13267	1.5
128.00937	0.7
128.41069	0.6
129.06328	0.6
129.07047	6.2
131.08580	7.5
133.06490	2.7
133.10110	4.2
135.11694	3.1
137.09612	1.3
137.13264	0.7
141.06975	0.7
142.07803	2.0
145.06497	0.6
145.10124	2.0
147.08057	2.9
147.11681	6.2
149.09621	3.8
149.13248	0.7
153.12721	0.5
157.10141	9.1
162.14209	0.6
163.11206	1.2
165.12764	0.7
173.09476	0.7
175.11174	7.3
193.12262	37.9
209.11717	0.8
211.13309	4.7
219.20998	0.7
227.12738	1.0
237.22147	1.5
247.35031	0.7
249.14819	2.5
267.15933	100.0
268.16165	0.6
298.25870	0.7
311.25824	60.8
383.17505	0.8
399.10168	0.6
402.32581	0.6
429.33640	3.2
437.04831	0.6
503.37332	35.9
521.38483	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38143	0.6
53.03959	3.6
53.08069	0.5
55.01875	2.8
55.05516	32.2
56.05854	0.6
57.03442	17.6
57.07080	12.3
65.03939	1.3
67.05510	15.5
69.03434	2.5
69.07072	34.2
71.04993	2.4
71.08643	9.8
71.17639	1.0
77.03916	0.8
79.05499	15.5
81.03423	87.4
81.07065	18.3
83.04980	6.2
83.08625	42.5
85.02916	6.8
85.06544	1.6
85.10198	3.1
91.05490	19.4
93.07054	12.5
95.04373	1.3
95.04978	23.1
95.08613	10.3
95.09177	0.9
97.02905	2.9
97.06525	2.9
97.10181	21.7
103.05468	0.6
105.04525	0.6
105.07040	15.0
107.04964	5.8
107.08609	8.1
109.06551	3.2
109.10185	2.2
111.04482	0.9
111.08091	7.5
111.11725	5.8
113.06037	0.6
113.84994	0.6
115.05467	0.9
117.07009	2.1
119.04992	0.7
119.08593	13.9
121.06535	2.7
121.10155	7.9
123.04407	0.8
123.08100	1.7
123.11698	1.0
125.06032	1.0
125.09680	1.3
125.13319	1.2
128.06213	0.6
129.07018	8.8
131.08559	7.7
133.06544	3.1
133.10123	4.9
135.11690	3.7
137.09602	1.1
142.07813	2.7
143.08549	0.7
145.10161	2.7
146.10458	0.6
147.08070	3.1
147.11699	7.5
149.09648	4.1
149.13173	1.1
152.32555	0.6
157.10146	9.6
163.11223	1.5
164.11610	0.6
165.12790	1.6
175.11208	8.7
193.12259	42.6
211.13298	12.6
211.15227	0.8
219.21094	0.9
227.12828	1.8
228.13129	0.9
236.22031	0.5
237.22180	3.0
249.14960	2.5
267.15936	100.0
286.25168	0.6
308.41974	0.7
311.25821	65.0
429.33636	2.0
441.29630	1.9
503.37354	37.9
504.37900	1.0
521.38324	37.4
528.52905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01869	1.7
55.05518	31.5
56.65004	1.1
57.03201	1.2
57.03442	17.0
57.07079	10.4
67.05511	16.3
69.03435	1.8
69.07077	28.5
69.43652	3.3
69.44082	4.1
70.76116	1.0
71.04990	2.4
71.08636	7.4
73.73035	1.1
79.05503	16.3
81.03425	73.5
81.07064	21.7
83.04968	4.8
83.08627	33.4
85.02905	2.3
85.10173	3.0
91.05490	16.8
93.07048	13.1
95.04973	18.8
95.08612	12.4
97.02934	1.9
97.06520	3.4
97.10177	20.7
98.20812	2.2
99.08073	1.3
103.05484	1.3
105.07046	12.4
107.04967	6.5
107.08601	9.4
109.06519	2.8
109.10166	4.5
109.90313	1.0
111.04439	2.0
111.08102	5.7
111.11732	4.4
115.05462	1.5
117.07025	2.5
119.08598	12.2
121.06493	2.2
121.10155	8.6
123.04413	1.4
123.08049	2.1
123.11642	1.8
125.09628	2.4
128.06177	1.0
129.07005	8.0
131.08580	7.6
133.06474	3.1
133.10095	4.1
135.08038	1.6
135.11670	3.8
137.09619	1.3
142.07805	2.3
145.10107	3.4
147.08061	2.5
147.11708	7.2
149.09615	4.5
157.10159	8.9
163.11183	4.4
165.12779	2.4
173.68893	1.1
175.11237	6.1
179.14285	2.4
193.12270	36.5
211.13240	4.7
227.12749	10.7
237.22144	1.7
249.14755	2.0
258.17261	1.2
267.15936	100.0
268.16342	1.2
277.21597	2.1
311.25827	53.3
312.26184	1.3
326.94791	1.2
429.33414	3.1
492.35385	1.2
503.37375	32.4
521.38495	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	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81890	0.1
51.50061	0.1
51.58040	0.1
55.05516	0.4
56.05042	0.6
57.03438	0.2
58.06631	0.4
59.07388	0.1
60.08168	6.2
64.53135	0.1
67.05515	0.6
69.07066	0.2
69.46474	0.5
70.06591	0.1
71.07380	3.0
79.05504	0.2
80.97424	0.1
81.07066	0.5
83.08627	0.1
86.09713	29.3
91.05453	0.1
93.07050	0.2
95.08623	0.5
98.98473	3.0
104.10754	3.1
105.07029	0.1
109.10162	0.1
113.26327	0.1
125.00014	20.4
133.10149	0.1
147.11624	0.1
163.74831	0.1
166.02669	0.1
169.41727	0.1
184.07353	100.0
185.07735	0.3
258.11108	0.2
337.27380	0.1
502.32983	1.0
520.33997	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3403
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05515	1.1
56.05038	1.4
57.03437	0.4
57.07071	0.1
58.06577	1.4
59.07390	0.2
59.13488	0.1
60.08168	16.3
61.02916	0.2
65.03963	0.1
67.05508	3.3
69.07072	1.2
70.01073	0.5
70.06595	0.2
71.07381	6.6
79.05499	0.8
80.97424	0.1
81.07058	2.9
83.04980	0.1
83.08614	0.6
84.08141	0.1
85.75536	0.1
86.09712	50.3
87.10014	0.1
91.05473	0.6
93.07033	0.7
93.86934	0.1
95.04976	0.1
95.08621	1.9
97.06546	0.2
97.10186	0.2
98.20897	0.2
98.98476	4.1
104.10751	87.0
105.07050	0.4
105.11112	0.2
107.08625	0.5
109.10171	0.7
119.08584	0.3
121.10143	0.2
123.11723	0.1
125.00013	29.8
133.10156	0.3
137.00034	0.1
143.01070	0.2
147.11771	0.2
163.01549	0.4
166.02742	0.1
175.14851	0.1
181.02672	0.2
184.07353	100.0
185.07706	0.2
186.67352	0.1
258.10956	0.9
259.50381	0.1
337.27405	0.8
397.12125	0.1
443.25610	0.3
480.89865	0.1
502.32947	8.0
520.34021	32.3
521.34363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01872	3.4
55.05498	8.1
55.80957	2.1
57.03441	4.6
57.07058	2.9
61.02916	2.3
64.87869	1.7
65.03939	2.1
67.05503	10.3
67.98667	1.7
69.03432	15.9
69.07061	13.1
70.06591	10.3
70.44147	3.7
71.04985	3.9
71.08637	5.5
72.08144	3.2
73.02911	1.7
77.80721	2.4
79.05514	10.8
81.03440	11.2
81.07060	21.7
82.02947	2.1
83.04960	5.7
83.08635	2.0
84.04511	3.0
84.08146	5.6
85.02431	3.3
85.02912	37.9
85.06549	25.7
86.06068	5.2
86.09695	9.8
87.00832	16.3
91.05479	16.2
93.07054	39.9
95.04955	4.0
95.08627	17.9
97.02913	16.9
97.06537	3.9
97.10162	2.9
98.09729	2.0
99.04442	5.2
99.08062	2.2
104.07130	3.7
105.01872	37.4
105.07027	18.0
107.08604	31.4
109.02871	8.9
109.06497	5.4
109.10143	9.8
111.08119	2.3
116.10719	12.5
117.07047	4.8
119.08587	12.1
120.08079	4.5
121.06468	3.7
121.10137	22.1
123.08069	5.3
123.11700	4.6
125.09630	3.3
127.03937	29.9
131.08548	9.3
133.10130	8.5
135.11691	23.3
137.05942	5.7
137.09685	1.9
137.13271	2.8
138.06329	2.1
143.04918	2.1
145.05002	11.3
145.06041	2.3
145.10126	14.6
147.11729	3.5
149.09680	2.4
149.13255	5.6
151.11162	4.1
154.15930	3.1
159.02850	2.9
159.11652	11.4
161.13231	5.9
163.07549	2.4
163.11136	4.9
167.07030	2.7
173.13248	2.6
175.14775	2.1
177.12791	3.1
189.11354	2.9
191.17929	4.8
196.16902	5.6
198.11243	2.8
201.05542	2.7
201.16446	14.2
213.25232	2.1
214.18031	100.0
219.17471	26.7
231.04971	11.0
237.18672	2.9
249.06082	12.9
358.21960	3.0
361.15836	5.2
376.23224	11.6
475.29697	2.0
485.23221	2.6
520.19733	3.8
535.91278	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17145	2.1
53.03935	4.3
55.01868	6.6
55.05517	11.2
57.03430	3.1
57.07083	4.7
61.02915	2.7
65.62848	1.7
67.05506	32.8
69.03438	15.1
69.07079	27.4
69.28385	10.8
69.28806	5.6
70.06590	3.8
71.04986	4.9
73.02932	2.8
75.27615	2.1
79.05491	27.9
81.03423	14.6
81.07061	100.0
83.04990	4.5
83.08609	6.0
85.02914	23.2
85.06561	3.5
86.09690	3.8
87.00832	14.5
91.05473	18.0
93.07049	57.1
95.04984	7.5
95.08610	39.8
97.02908	14.4
97.06530	18.9
97.10165	7.2
99.04457	5.1
105.01869	16.3
105.04578	2.8
105.07040	38.3
105.41810	1.8
107.04945	3.6
107.08601	53.2
109.02898	9.6
109.06536	10.1
109.10165	49.4
111.08064	4.8
116.62254	1.9
117.07023	6.5
118.18346	1.9
119.08590	36.0
121.06545	4.9
121.10145	48.5
123.08062	11.0
123.11727	14.1
125.09651	7.3
127.03941	18.6
127.11082	2.0
129.07022	4.0
131.08583	13.1
133.10124	16.1
135.08110	4.3
135.11700	30.7
137.09630	8.3
138.10405	9.1
139.11215	2.0
143.08574	2.9
144.09370	2.4
145.04956	4.0
145.10120	32.5
147.11697	46.6
149.09613	8.5
149.13261	10.4
151.11221	10.1
159.02866	4.9
159.11694	27.5
161.06003	2.3
161.13293	13.5
163.11192	42.3
173.13232	6.4
175.11113	2.4
177.12770	8.5
177.16606	3.1
185.75470	2.1
191.17950	10.4
201.16418	37.0
219.17451	88.3
231.05083	5.6
235.55334	2.3
249.06105	3.1
259.04456	3.6
353.10126	2.2
520.20331	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05519	7.6
67.05515	9.7
69.03439	11.1
69.07073	19.8
70.73132	6.6
71.04991	7.5
79.05507	19.1
81.03413	10.9
81.07059	32.4
83.08609	4.5
85.02913	29.2
85.06552	3.5
87.00826	17.0
91.05470	19.3
93.07049	61.8
95.04992	4.9
95.08609	15.1
97.02901	12.7
97.06493	3.5
99.04504	3.4
105.01869	38.7
105.07045	26.8
107.08601	100.0
109.02887	7.4
109.06531	3.5
109.10153	25.5
111.08091	5.0
117.07011	4.0
119.08591	14.0
121.10151	57.7
123.11708	8.1
125.09596	4.3
127.03935	26.6
133.10159	10.8
135.11716	8.7
135.78203	2.7
140.53178	2.9
141.58826	2.7
142.58424	2.8
145.04993	16.3
145.10152	10.6
147.11723	8.1
149.13272	80.4
149.14388	5.4
151.11130	3.9
159.11780	8.4
161.13240	4.7
165.12587	2.8
167.14343	7.6
173.13403	4.2
181.15656	3.1
201.16440	6.6
219.17505	9.9
229.82037	3.0
231.05042	12.2
249.06155	15.1
293.84891	2.7
352.93991	2.9
378.05881	3.1
397.46454	3.0
466.46896	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.6
54.88101	1.7
55.01852	4.6
55.05520	2.3
57.03438	4.2
57.07076	4.3
57.11362	1.7
59.04960	1.7
60.53880	1.7
61.02918	4.6
67.05499	6.6
68.99800	2.0
69.03432	25.8
69.07074	18.5
70.06596	3.2
71.04997	4.3
73.02926	4.2
77.65376	1.8
79.05479	4.9
80.92336	1.9
81.03427	16.4
81.07041	11.6
85.02908	71.5
85.06546	100.0
86.09717	2.4
87.00835	39.9
91.03941	2.1
91.05461	7.5
93.07056	21.8
95.04958	2.6
95.08612	9.3
95.09122	1.9
97.02895	44.2
97.06535	2.6
99.04452	11.4
105.01872	92.2
105.07030	12.7
107.08596	44.7
109.02892	21.4
109.10137	5.8
119.08572	6.9
121.06483	2.6
121.10127	22.5
123.11729	6.4
127.03913	62.8
133.10123	4.4
135.11662	2.5
137.06000	2.8
137.09627	6.2
145.04955	30.2
145.06587	2.2
145.10164	3.7
147.11665	7.4
149.04622	2.0
149.13261	79.7
151.03886	2.3
152.04314	2.4
159.02884	6.1
159.52800	2.2
163.11182	2.0
173.86035	2.0
174.86290	2.3
201.16339	2.9
203.17856	2.0
213.03963	4.8
219.17468	6.9
231.04996	40.3
233.08087	7.3
249.06075	24.3
333.11707	4.6
357.13452	2.7
531.26007	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34908	2.7
53.03951	3.9
53.53955	2.2
55.05514	24.6
57.07070	9.2
67.05502	25.7
69.03428	4.7
69.07073	43.7
70.06569	3.4
71.05015	3.3
71.52824	2.5
79.05505	20.6
81.03422	10.8
81.07062	63.8
83.04989	96.2
83.08630	11.8
85.02896	3.8
85.06537	5.5
91.05478	16.7
93.07046	57.0
95.04977	5.5
95.08607	49.8
97.02920	2.5
97.06545	6.2
97.10168	8.7
99.04459	2.7
99.08112	4.1
105.01887	3.4
105.07044	30.6
107.08599	51.9
109.06522	5.5
109.10160	39.4
111.08076	5.6
111.11729	13.7
117.07041	6.8
119.08582	23.7
121.06474	4.1
121.10155	37.4
123.08074	8.3
123.11718	70.2
124.49498	2.3
125.09693	4.9
127.03879	4.7
127.07553	2.2
129.06938	2.8
130.46161	2.2
131.08569	9.4
133.10139	18.0
135.08092	7.5
135.11710	50.8
137.09590	5.3
139.11200	24.1
143.24522	2.2
144.09383	3.1
145.10132	18.3
147.11694	23.8
149.09602	7.3
149.13245	16.2
151.11171	6.0
157.10132	2.7
159.10405	2.2
159.11711	50.3
161.13260	31.1
163.11195	20.4
165.12755	6.4
167.10735	13.9
167.14336	11.0
169.12250	3.0
175.14917	4.2
177.12773	9.8
181.12160	2.6
191.17970	33.3
201.16389	39.1
214.18039	3.0
219.17462	100.0
233.08182	2.2
237.18460	14.3
239.12793	5.4
267.15961	2.5
297.52377	2.1
431.24338	2.8
449.25452	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
56.05034	0.7
56.18169	0.1
57.03428	0.2
58.06631	0.4
59.07397	0.1
60.08165	6.2
67.05508	0.5
69.07069	0.1
70.04111	0.3
71.07373	3.1
78.57774	0.1
79.05487	0.4
80.48737	0.1
81.07045	0.5
86.09705	30.5
91.05486	0.1
93.07041	0.3
95.08609	0.3
98.98463	3.3
104.10741	2.7
107.08569	0.1
109.18000	0.1
119.08587	0.1
125.00004	21.5
129.71024	0.1
143.01056	0.1
166.06268	0.1
184.07339	100.0
185.07738	0.2
237.36716	0.1
238.04887	0.1
258.11005	0.2
335.25809	0.1
374.85422	0.1
500.31290	1.1
518.32379	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.05040	1.3
57.03447	0.6
57.96090	0.3
58.06585	1.7
58.48069	0.2
59.07373	0.2
60.08168	18.8
66.91982	0.3
67.05511	2.4
69.07069	0.7
70.06632	0.3
70.21895	0.9
71.07379	7.1
79.05503	2.0
81.07076	2.2
82.82644	0.3
86.09712	53.6
91.05486	0.9
93.07064	2.0
95.08614	1.3
98.20863	0.3
98.98474	4.1
104.10751	100.0
105.07040	0.6
107.08617	0.7
109.06500	0.3
109.10172	0.6
121.10140	0.7
125.00014	32.1
135.11760	0.3
163.01604	0.5
184.07353	99.1
186.63983	0.3
258.11078	1.1
320.44434	0.3
335.25906	0.6
441.24121	0.4
500.31369	8.6
501.31781	0.3
518.32471	34.6
519.33014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42368	1.1
53.31783	1.2
53.79102	1.2
66.84431	1.2
71.51678	2.0
73.04784	1.7
84.04514	1.6
86.09698	1.5
87.79031	1.1
91.05854	1.4
95.06084	3.4
96.06403	1.8
111.50770	1.2
112.08749	9.8
118.06544	19.7
132.08070	3.9
142.06537	2.2
143.07283	2.5
144.08115	10.4
146.06021	58.5
159.09135	6.3
163.03848	1.4
167.05548	1.9
170.06013	4.2
188.07079	100.0
188.69006	1.3
192.25693	1.2
192.27425	1.2
205.09727	49.3
299.06146	3.8
335.14438	1.2
344.97305	1.6
409.85275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72153	0.3
55.72859	0.2
57.03433	0.3
59.26659	0.3
62.57964	0.3
69.03449	0.3
69.59296	1.3
72.04183	0.3
81.07058	0.3
84.08141	0.3
85.02945	0.2
93.07028	0.3
95.08640	0.3
97.02908	0.3
97.06563	0.4
101.96616	0.2
105.07061	0.4
107.04910	0.2
107.08573	0.3
107.75406	0.2
119.08595	0.3
123.59906	0.2
133.06613	0.2
133.10135	0.3
137.05998	0.6
187.07527	0.3
271.11810	0.2
339.12250	0.3
357.18817	3.6
386.80417	0.3
393.13406	0.3
459.22043	0.9
487.21423	1.1
501.23477	0.3
519.24182	100.0
520.24481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.2
69.03395	0.4
69.07082	0.3
70.06590	0.8
71.52788	0.4
72.08159	0.4
73.54385	0.2
74.06079	0.3
79.05500	0.3
81.03419	1.1
81.07071	0.3
84.04514	0.3
84.08132	0.6
85.02875	0.2
86.09698	1.1
91.05468	0.4
93.07044	0.3
95.04950	0.5
95.08611	0.3
97.02888	0.4
97.06515	0.3
105.07045	0.4
107.04954	1.5
113.06064	0.3
115.05511	0.3
118.31044	0.2
120.08064	0.5
121.02962	0.4
129.88583	0.3
135.04395	0.3
136.07584	0.3
137.06017	1.5
149.09724	0.4
167.06992	1.6
167.84962	0.3
187.07494	0.3
201.05472	0.4
203.05299	1.0
259.07947	1.0
265.05115	0.3
283.06351	0.7
283.15341	0.3
299.06137	0.5
339.18079	0.4
357.18878	3.2
368.12012	0.4
396.14542	0.5
459.21899	0.8
469.20428	0.3
469.36975	0.3
487.21506	1.0
519.24164	100.0
520.24347	0.7
547.80798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40967	1.3
55.05514	7.6
56.05042	1.5
57.03439	5.7
60.08169	11.7
61.08500	1.5
65.53642	1.4
66.06636	1.3
67.05509	32.4
69.07076	7.7
69.29795	9.3
69.60317	1.1
71.07362	4.0
77.56739	1.1
77.75725	1.1
79.05498	15.9
81.07059	25.0
81.20992	1.3
83.08630	2.5
86.09706	36.5
87.09550	1.5
87.10030	9.2
88.03983	6.0
91.05491	8.8
93.07046	14.1
93.33198	1.4
95.08606	18.9
98.98475	7.3
104.10747	49.8
105.07033	5.3
105.10409	2.3
105.11076	17.5
106.11200	2.1
107.08610	8.8
108.33987	1.2
109.10174	9.4
117.07003	2.2
119.08580	3.7
121.10169	6.7
123.11683	2.2
125.00004	21.2
126.00372	2.6
127.00422	3.4
131.08609	2.8
133.10168	3.4
135.11664	3.7
135.32919	1.2
146.21664	1.2
147.11656	2.6
149.13260	1.5
159.11713	2.1
184.07350	42.6
185.07695	19.2
186.07777	13.8
205.74594	1.3
261.21936	1.7
335.25818	100.0
336.26340	1.6
348.25406	1.7
349.17166	1.6
450.46375	1.3
502.31628	6.7
520.32959	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01859	3.3
55.05510	12.1
57.03436	2.1
61.02930	2.9
67.05490	6.0
69.03432	8.5
69.07060	5.4
70.06577	2.3
71.04996	3.0
71.41588	1.7
72.08164	1.8
73.02902	2.5
79.05491	8.9
79.20458	1.3
81.03426	6.8
81.07059	13.9
83.04988	100.0
84.08135	1.9
85.02910	18.3
85.06551	1.8
86.09688	1.5
87.00854	7.8
91.05489	8.5
93.07059	17.0
95.04961	3.7
95.08595	6.4
97.02911	8.6
97.06511	3.9
99.04448	5.1
105.01866	5.2
105.07043	11.0
107.08600	12.9
109.02871	3.7
109.06532	3.0
109.10181	4.5
113.06022	1.3
117.07024	4.6
119.08601	14.0
121.06479	3.7
121.10152	27.1
123.08063	1.5
124.14729	1.4
125.05964	1.2
125.09626	2.9
127.03922	11.2
129.07011	2.4
131.08562	3.1
131.88634	1.3
133.10138	8.3
135.11687	5.5
137.09598	3.7
143.08548	2.0
145.04927	2.7
145.10057	3.1
147.04372	1.4
147.11649	4.7
149.09621	24.6
157.10121	3.3
159.02902	2.6
159.11754	3.2
161.09596	4.5
161.13210	1.4
163.11198	2.8
169.10121	1.4
175.11189	2.8
175.14870	2.7
179.10669	2.1
189.16350	2.9
199.14818	2.1
207.17628	1.4
217.15909	17.9
231.04884	2.5
235.16940	14.6
253.17958	5.0
262.00085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Peak:m/z	Relative Intensity
51.30399	0.9
53.03939	3.3
55.01877	9.9
55.05514	27.9
57.03443	1.2
57.07076	7.5
62.16711	1.0
67.05509	24.1
68.10866	1.0
69.07071	24.6
70.63200	0.9
70.91453	2.3
70.91780	1.0
71.04984	1.0
71.08629	5.1
79.05074	1.8
79.05498	27.4
81.03409	3.6
81.07060	22.6
83.04990	5.4
83.08620	21.5
85.10185	1.4
91.05487	21.2
93.06489	1.8
93.07050	20.4
95.04980	7.4
95.08609	16.7
97.06540	3.4
97.10166	10.5
98.21442	1.2
103.05485	1.3
105.07027	14.5
107.04934	2.2
107.08596	8.0
109.06522	2.3
109.10151	2.7
111.08104	1.3
111.11721	2.4
117.07011	3.3
119.08598	8.4
121.06495	1.3
121.10154	6.7
123.08052	1.9
123.11726	1.5
125.13289	1.4
127.07590	1.4
129.07014	5.2
131.08577	1.0
133.10117	3.7
135.11723	2.9
137.13297	1.9
143.08572	2.7
145.10127	2.8
147.11696	9.3
161.13283	3.6
171.11664	6.7
189.12762	3.4
207.13873	6.0
237.22128	14.1
341.43430	0.9
517.38904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01852	1.6
57.03429	2.3
61.02932	3.9
69.03436	8.9
70.06591	2.2
71.01356	0.7
71.51962	0.6
72.08143	2.0
73.02905	2.4
81.03430	4.0
83.01363	0.8
84.04524	1.2
84.08126	1.6
85.02914	29.1
86.09708	1.6
91.03960	1.3
91.62922	0.6
95.06093	2.8
97.02898	10.7
99.04444	1.8
109.02876	3.0
112.08736	5.9
121.02869	0.7
123.04485	1.8
127.03921	7.0
131.04924	1.3
135.04433	1.8
145.02818	1.4
145.04982	6.2
147.04411	10.3
149.02373	4.5
149.05997	1.1
151.03922	0.7
156.06776	0.6
157.06506	0.6
159.04437	1.5
161.06027	1.3
163.03922	14.9
165.05521	0.7
173.06056	1.0
175.03986	3.3
177.01823	6.7
177.05489	2.5
180.08684	2.5
181.05078	0.9
187.03909	3.1
189.05489	2.3
191.03339	0.7
195.02921	0.9
203.03412	100.0
205.04947	6.5
213.05460	0.9
215.03394	6.8
217.04999	0.9
229.05019	2.1
231.02898	12.6
233.04512	6.6
261.03983	9.4
279.05020	19.5
291.05017	24.9
303.05045	1.4
305.34448	0.7
321.06058	9.6
339.07141	42.2
356.09818	3.8
357.08224	0.7
376.80316	0.7
472.83774	0.9
474.92407	0.7
518.15118	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	518.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.05510	3.0
56.05032	1.8
57.03436	1.6
58.06590	2.3
58.99584	6.8
59.04990	1.1
61.01145	1.4
61.02941	1.9
65.03933	1.2
67.05505	6.4
68.05018	1.2
69.03420	5.0
69.07066	6.5
70.06596	12.8
71.04992	1.5
71.52010	1.4
72.08146	3.9
73.01156	6.1
73.02907	1.8
74.00682	1.2
74.06111	1.2
76.02219	4.1
79.05486	9.8
80.05025	1.1
81.03414	3.1
81.07059	19.0
82.06573	2.3
83.04965	1.6
84.04511	9.2
84.08152	15.5
85.02915	8.6
85.08477	1.5
86.00660	13.9
86.06100	1.8
86.09713	15.6
86.99063	4.6
87.10039	1.7
88.02216	7.6
88.03984	2.6
91.05489	13.4
93.06493	1.6
93.07055	23.2
94.06552	1.4
95.04967	3.6
95.08643	6.7
97.02891	4.7
97.06521	6.1
98.06077	1.2
99.02676	1.7
100.02158	1.2
102.05566	5.3
104.05286	1.3
105.00082	3.3
105.07043	14.9
107.04961	3.1
107.08588	5.4
108.08135	4.1
109.06505	3.2
109.10139	2.5
110.06023	6.3
111.08079	1.3
116.01685	6.9
117.06992	2.1
119.08580	17.2
120.08126	5.2
121.06542	1.8
121.10148	34.7
122.02752	3.0
122.06097	1.6
123.08051	2.3
123.11781	1.5
125.09626	6.1
126.03737	2.2
128.06198	2.0
129.07008	1.3
129.10263	7.9
131.08545	4.8
132.01167	26.5
132.08089	1.6
133.10143	18.9
134.02705	1.3
134.09589	1.3
135.02711	1.2
136.07550	3.3
137.09595	2.9
140.05305	3.3
142.03200	3.1
142.07768	1.5
143.08542	4.2
145.03223	5.9
145.04927	1.6
145.10121	2.4
146.02727	2.6
146.07257	1.3
147.08026	1.9
147.11690	13.9
148.11186	2.2
149.09636	5.7
150.03682	2.1
150.05733	1.7
157.10100	3.0
159.11714	3.4
160.11240	3.5
161.09639	17.5
161.13246	1.3
162.02219	7.7
162.05833	4.0
162.07442	1.0
163.11115	2.2
165.12743	1.8
167.07065	1.6
168.04794	6.8
171.11703	1.3
172.04291	1.6
175.11208	3.8
176.14386	1.2
178.12265	2.7
179.04866	2.5
186.05820	2.4
188.07370	2.7
189.16357	1.6
190.05339	1.5
193.06978	1.2
193.12274	4.0
196.04285	9.5
199.14865	2.3
200.03612	1.2
201.05482	4.9
206.05202	1.3
212.03726	1.6
212.07353	1.2
213.05406	1.8
213.68712	1.1
214.05341	11.3
217.15887	24.6
235.17006	5.1
236.10999	3.6
244.10051	2.1
252.10487	10.3
256.09976	2.1
264.10486	4.5
268.13586	2.8
270.11465	1.5
282.11618	13.3
286.14493	2.5
287.43689	1.3
296.13129	1.8
298.05045	1.2
320.06812	1.4
320.16782	3.2
335.09146	2.2
338.17874	100.0
340.47754	1.1
355.11703	3.5
356.18924	94.6
357.19022	1.7
367.11664	3.7
372.15063	1.8
386.50592	1.2
389.17429	3.0
500.22604	2.2
518.24451	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	517.353
Annotation	CHEBI:66783
Peak:m/z	Relative Intensity
53.03947	6.6
53.54482	1.8
55.01866	6.0
55.05514	16.8
57.03434	7.1
57.07076	2.8
65.03947	1.3
67.05508	52.8
69.03428	3.3
69.07072	25.3
69.55382	1.3
69.94685	6.2
71.04993	4.0
72.12855	1.1
73.06548	1.4
75.09767	1.4
78.87303	1.3
79.05498	46.4
81.03426	29.8
81.07063	58.7
83.04996	7.3
83.08624	12.1
85.06551	3.9
91.05486	39.7
91.05920	0.9
91.85184	1.2
93.07048	40.4
95.04956	11.5
95.08612	46.1
97.06552	12.2
97.10175	4.4
99.08096	2.0
103.05462	1.6
105.04532	1.8
105.07033	33.1
107.04950	7.0
107.08603	23.4
109.06527	4.9
109.10167	20.7
109.88042	1.3
111.08096	4.4
117.07027	15.7
119.08585	29.0
119.09379	2.5
121.06510	7.1
121.10146	22.3
123.08084	5.7
123.11720	6.7
125.06001	2.8
128.06190	1.6
129.07048	9.9
130.07767	1.9
131.08577	24.5
133.06494	3.6
133.10123	17.8
135.08063	9.1
135.11713	11.5
137.09627	9.5
137.13303	1.9
139.73116	1.5
141.07002	3.2
142.07698	1.3
143.07060	10.7
143.08580	10.6
145.06528	2.5
145.10139	18.5
147.08072	7.1
147.11688	15.9
149.09627	11.7
149.13286	5.9
151.11180	2.5
155.08618	3.4
157.10095	9.7
159.08104	2.9
159.11700	14.6
161.08237	1.8
161.09648	3.5
161.13266	8.3
163.11209	4.2
163.14929	1.7
165.09135	7.0
165.12785	4.3
167.08502	2.1
167.10760	1.3
169.10194	6.0
171.11668	9.2
173.09644	2.1
173.13272	8.5
175.09717	1.4
175.11211	3.6
175.14876	5.0
177.09140	2.7
177.12793	1.9
181.10129	3.0
183.11751	5.3
185.11804	1.2
185.13330	5.2
187.11203	2.3
187.14847	5.7
189.12823	1.6
193.12318	2.0
195.11719	3.7
197.13274	3.7
199.09727	7.3
199.14882	3.8
201.16451	2.1
203.14291	1.4
205.12321	2.0
207.11899	1.3
209.13316	2.1
211.14806	3.0
213.16425	2.5
215.17946	2.8
219.13828	3.2
223.14954	1.5
225.16388	2.4
225.22369	1.4
231.17465	1.8
233.15437	2.5
233.19080	2.9
235.14996	1.4
239.12764	13.9
239.14452	1.2
241.19653	1.4
243.21124	2.6
247.17224	2.2
251.20235	1.5
257.19220	1.2
259.17123	2.0
259.20529	1.6
261.22198	6.2
267.15918	3.5
271.20566	1.7
273.18753	1.7
285.18500	1.4
285.22061	1.7
289.21780	1.5
291.10013	1.5
299.23819	3.1
301.25317	5.7
303.23309	1.6
307.22638	2.4
317.24817	2.1
327.23126	2.3
335.22147	2.8
335.25787	15.1
345.24417	2.5
359.25943	2.3
375.21719	1.8
379.30011	2.2
389.28363	3.6
393.22836	4.7
397.31119	1.8
401.26801	3.3
407.24518	2.1
407.29382	12.9
425.30499	16.6
443.31705	5.3
481.33063	5.4
499.34229	59.6
517.35321	100.0
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
50.58089	1.4
53.03939	4.5
54.44122	1.3
54.90506	1.3
55.01869	3.6
55.05514	27.2
57.03453	8.5
57.07073	2.8
65.03941	2.2
67.05510	50.3
69.03423	6.1
69.07080	11.2
71.04979	3.7
71.38107	1.5
79.05495	40.3
81.03426	24.1
81.06590	2.8
81.07060	47.2
83.04964	3.9
83.08628	19.0
85.06545	3.5
91.05485	36.8
93.07047	40.4
95.04960	13.2
95.08618	33.2
97.02894	1.5
97.06535	7.4
97.10185	18.1
99.08081	3.1
105.07040	27.6
107.04942	6.0
107.08604	27.8
109.06525	4.5
109.10171	20.7
109.13017	1.3
110.07256	1.5
111.08080	4.0
113.00060	1.6
113.09682	1.4
115.05450	1.8
117.07036	14.1
119.08588	25.5
121.06484	7.3
121.10150	21.6
123.08074	3.4
123.11687	6.9
125.09631	15.4
128.06224	1.7
129.06992	10.1
131.08566	24.7
133.06546	2.2
133.10132	19.7
135.08064	7.2
135.11691	16.5
137.09634	3.9
137.13271	1.7
139.11180	1.7
141.07034	3.0
142.07826	1.8
143.08543	6.7
145.06432	1.8
145.10136	15.7
147.08025	3.3
147.11690	14.6
149.09662	5.9
149.13300	6.6
151.11220	2.6
153.09105	2.0
154.37251	1.5
155.08565	3.6
157.10094	8.4
159.08034	2.4
159.11681	14.1
161.09625	4.0
161.13245	6.5
163.11211	4.7
167.08588	2.3
169.10141	6.0
171.10313	2.5
171.11713	7.6
173.09625	1.8
173.13220	9.2
175.11252	3.7
175.14851	6.3
177.12788	2.7
183.11705	4.9
184.07414	2.9
185.13289	4.0
187.14844	5.5
189.09625	1.6
189.11261	9.5
189.12701	1.8
189.16440	2.1
191.14206	1.5
193.12234	8.0
195.11797	2.9
197.13284	4.3
199.14861	3.7
201.12779	2.3
205.15894	2.5
205.19585	2.9
211.13211	2.3
211.14990	2.0
213.12840	1.5
213.14745	2.4
215.18002	10.9
227.12807	7.2
231.17317	1.7
233.15297	2.2
233.19000	12.1
239.18147	2.2
245.13731	1.7
251.16292	1.9
251.20082	2.7
255.21179	3.2
257.19092	4.2
259.20798	1.6
261.18457	1.7
267.15948	23.7
267.19238	2.3
271.20612	2.8
273.22229	13.7
275.20248	3.5
281.18964	2.0
287.20035	2.6
289.21729	1.8
296.63910	1.5
301.18042	3.0
307.22705	14.3
315.19577	2.3
331.22772	1.8
345.24472	1.9
389.23593	2.0
389.28293	1.9
393.23337	1.7
407.24316	2.9
407.29034	6.8
425.30725	12.7
443.31506	7.9
447.27707	1.8
481.33261	3.2
499.34213	52.3
517.35266	100.0
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	CHEBI:66783
Peak:m/z	Relative Intensity
50.33157	1.4
52.66394	1.3
53.03936	5.1
55.01859	4.4
55.05511	14.4
57.03428	8.0
57.07076	1.6
57.12392	1.2
59.09397	1.3
65.03928	2.9
66.19481	1.5
67.05507	46.3
69.03419	3.1
69.06737	1.8
69.07076	26.6
69.24376	7.3
69.24799	5.5
71.04988	3.6
73.06550	2.6
79.05495	37.8
81.03419	41.6
81.07058	54.0
83.04964	4.8
83.08627	6.9
85.06540	2.6
87.04438	1.4
89.60743	1.3
91.04915	2.1
91.05485	33.6
93.06497	2.8
93.07050	34.6
95.04980	10.5
95.08605	47.3
97.06536	11.8
97.10197	2.1
98.21483	2.6
99.08096	2.5
99.12145	1.2
103.05486	1.8
105.07037	26.9
107.04960	4.7
107.08602	23.0
109.06499	5.2
109.10165	17.8
111.08072	2.1
117.07019	15.0
119.08588	26.6
121.06528	6.7
121.10155	15.4
123.08084	8.2
123.11734	6.9
125.05989	7.1
125.09661	2.4
127.07561	1.3
128.06230	2.6
129.07007	7.6
131.08562	23.8
133.06479	4.6
133.10149	17.1
135.08041	7.5
135.11694	9.0
137.09624	12.7
137.13219	2.2
141.06906	2.4
142.07703	2.1
143.07010	9.9
143.08583	7.2
145.06451	1.7
145.10135	16.8
147.08041	5.6
147.11664	11.9
149.09677	6.5
149.13257	5.3
151.11197	2.5
155.08537	4.6
155.10680	1.3
157.10150	8.6
159.08115	1.8
159.11676	11.9
161.09608	2.8
161.13289	8.8
163.11191	1.8
163.14809	2.0
165.09157	12.9
167.10684	2.1
169.10101	4.5
171.11655	7.4
173.09644	2.3
173.13266	10.5
174.06766	1.2
175.11177	2.0
175.14812	3.9
177.09094	3.3
177.12956	1.3
181.10114	2.3
183.11723	3.8
185.13272	5.7
187.11140	1.7
187.14783	4.6
189.12741	2.9
189.16205	1.5
191.14236	1.7
197.13313	3.2
199.09587	7.8
199.14799	3.2
201.12764	2.5
201.16440	2.0
205.12184	3.3
207.11584	1.4
207.13805	1.6
209.13385	1.6
211.14748	1.8
213.16342	3.2
215.14406	1.8
219.13776	3.4
221.15457	2.9
233.15494	2.5
239.12703	16.8
243.21074	3.1
245.15450	2.1
259.16913	3.3
261.22076	8.6
267.69794	1.7
273.18573	2.8
285.22144	4.0
299.20380	1.5
299.23486	3.1
301.18060	2.2
301.25223	8.3
303.23114	2.1
315.19644	1.6
317.24719	3.4
327.23224	3.9
335.25806	17.6
345.24054	2.2
359.25507	3.0
379.29797	1.6
389.28363	3.2
393.22742	2.3
397.31003	3.2
401.26852	5.6
407.24701	2.5
407.29395	8.4
425.30518	18.7
443.31702	6.4
481.32956	3.2
499.34195	61.7
517.35181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
52.59191	0.7
53.03952	5.7
55.01861	2.7
55.05511	23.7
57.03436	7.3
57.07064	1.1
59.04988	0.9
65.03931	3.1
67.05507	40.6
69.03417	2.9
69.07069	9.4
71.04986	4.4
71.48681	0.8
77.03931	1.4
79.05495	62.2
81.03419	36.5
81.07057	38.9
81.33369	0.8
83.04972	7.9
83.08624	19.0
85.02906	15.7
85.06528	2.3
91.05484	38.4
93.07044	56.4
95.04968	18.6
95.08610	20.0
97.02885	2.1
97.06538	4.2
97.10172	7.1
99.08086	2.5
105.04507	2.9
105.07028	28.6
107.04956	4.9
107.08599	16.1
109.06509	3.5
109.10154	9.7
111.04397	1.6
111.08099	6.2
113.06011	1.2
115.05460	1.7
117.07030	8.1
119.04908	0.9
119.08578	23.7
121.06503	3.0
121.10148	32.4
123.08073	2.3
123.11736	3.4
125.09653	3.6
129.07014	7.6
131.05057	0.8
131.08566	14.0
132.13808	0.7
133.06490	1.4
133.10143	12.1
135.08055	1.6
135.11693	7.3
137.09628	2.9
139.11185	1.2
141.07010	1.0
142.07788	2.1
143.07086	0.9
143.08556	3.8
144.09286	0.9
145.10124	8.2
147.08029	2.9
147.11693	13.5
149.09660	4.6
149.13257	2.7
151.11171	0.7
155.08594	1.9
157.10132	8.7
159.08003	1.1
159.11693	5.7
161.13261	2.4
163.11244	1.5
165.09154	1.4
165.12758	1.3
169.10132	2.0
171.11696	3.1
173.09656	1.2
173.13303	5.2
175.11188	8.3
175.14751	1.9
177.12749	0.8
179.14423	0.9
183.11726	1.5
185.13274	2.2
187.11234	1.2
187.14851	1.9
189.11237	1.4
189.12810	1.0
191.45718	0.9
193.10423	1.8
193.12239	33.7
197.13251	2.1
199.09654	1.4
199.14903	1.1
201.16339	1.0
211.13280	32.0
215.17888	4.5
227.12819	2.5
233.19061	3.3
239.12811	1.9
239.17998	1.0
257.19122	1.0
261.22247	1.0
267.15857	5.9
273.22205	2.2
285.16928	1.9
299.20197	0.9
307.22748	4.0
313.21255	1.0
335.25955	0.9
389.28137	1.1
407.29431	3.2
425.30566	4.9
443.31564	1.8
499.34189	20.0
517.35284	100.0
518.35699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94796	1.5
52.69444	1.2
53.03939	3.4
55.01863	4.6
55.05276	2.0
55.05515	29.1
57.03437	8.4
57.07073	3.1
67.05506	47.6
69.03415	3.8
69.07071	14.8
69.73958	5.0
69.74361	3.6
71.04988	5.4
79.05496	45.9
81.03421	21.9
81.07054	51.4
83.04987	5.8
83.08620	17.6
85.02892	1.6
85.06548	2.3
91.04916	1.5
91.05482	32.7
93.07051	36.8
95.04974	17.0
95.08607	37.1
97.06538	6.6
97.10168	18.6
98.21413	2.6
99.08083	3.3
105.07025	31.2
105.24072	1.6
107.04939	7.3
107.08588	25.5
109.06521	3.7
109.10172	15.6
111.08078	5.9
115.05533	1.6
117.07018	12.9
119.08585	26.8
121.06489	8.8
121.10151	16.7
123.08067	5.2
123.11697	4.7
125.09634	15.9
129.07018	8.7
131.08577	21.6
133.06509	3.2
133.10138	21.3
134.23109	1.5
135.08034	6.2
135.11685	17.8
137.09604	3.7
141.06982	3.4
142.07802	1.9
143.08591	9.8
145.06554	2.7
145.10120	17.2
147.08046	4.4
147.11700	13.6
149.09627	6.5
149.13225	7.3
151.11154	2.6
153.09184	3.1
154.07791	1.9
155.08536	4.3
157.10104	9.1
159.08025	2.8
159.11688	13.3
161.09665	3.5
161.13252	6.7
163.11215	3.8
167.08496	1.5
169.10161	5.5
171.10289	2.4
171.11696	6.7
173.09604	2.7
173.13214	9.3
175.07585	2.4
175.11172	5.0
175.14818	2.2
177.12779	3.0
181.10112	2.1
183.11697	5.2
185.13237	5.0
187.14871	3.9
189.09114	1.6
189.11226	7.6
189.12761	2.5
189.16246	1.7
191.14368	1.8
193.10669	1.4
193.12227	9.2
197.13254	2.4
199.14938	3.5
201.12740	1.7
213.16437	2.6
215.17963	11.6
227.12773	14.4
233.19026	13.3
239.17969	3.0
245.13873	1.9
247.16974	3.5
255.21198	4.0
257.19058	3.0
267.15897	23.7
267.18823	2.4
267.19775	1.6
271.20688	2.1
273.22076	11.7
275.20120	3.3
287.20059	2.4
305.21289	1.5
307.22693	15.8
313.21625	2.1
315.19446	2.4
321.20828	2.2
327.23270	1.9
328.14343	1.8
331.22748	1.7
389.28204	2.3
393.22797	2.3
407.24463	2.9
407.29465	8.7
414.04449	1.7
425.30524	17.5
443.31680	10.3
447.27899	1.6
464.27173	1.5
471.72198	1.4
481.33304	3.1
499.28516	0.9
499.34155	58.5
517.35260	100.0
518.36176	1.7
539.43329	1.4
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
51.02364	1.1
52.32236	0.7
53.03954	4.9
55.01863	2.6
55.05513	15.9
57.03415	2.7
57.07061	1.5
65.03934	2.2
67.05509	31.5
69.03413	2.2
69.07072	9.8
69.26542	1.5
69.26950	4.6
71.04987	2.7
71.08625	0.9
73.02882	0.8
76.61964	0.7
77.03976	0.8
77.48864	0.6
79.05499	63.4
81.03416	2.8
81.07061	30.0
83.04987	4.4
83.08614	8.7
84.04492	4.2
84.54906	0.7
85.02901	0.9
85.06561	1.2
91.05489	26.6
93.07050	68.4
95.04978	9.5
95.08614	38.1
97.02889	4.6
97.06554	4.3
97.10191	1.9
99.04456	2.2
99.08090	1.6
102.05560	1.1
103.05447	1.4
105.04513	2.7
105.06400	1.2
105.07043	16.9
107.04967	9.0
107.08601	33.1
109.06501	3.1
109.10181	6.1
111.04449	1.6
111.08098	1.9
113.09615	0.9
115.05470	1.2
117.07026	14.0
119.08592	17.1
121.06518	6.3
121.10152	31.6
123.08068	2.0
123.11730	1.1
125.05988	2.0
125.09634	1.7
129.06989	2.0
130.05002	3.0
130.07787	1.9
131.08603	7.5
133.10158	8.1
135.08067	2.9
135.11702	45.2
137.09583	1.1
139.07521	1.1
139.11180	1.0
143.08565	2.7
145.06473	0.9
145.10129	29.7
147.11644	3.4
148.06055	2.0
149.09663	1.5
149.13257	1.2
151.11243	1.2
153.12802	1.3
155.08511	1.1
157.10144	1.7
159.08070	1.0
159.11729	3.7
163.11189	51.3
168.06584	1.7
169.10127	1.4
171.11719	1.3
173.09554	0.7
173.13274	3.9
181.10495	1.0
181.12236	13.6
183.11754	0.9
185.13289	0.9
187.14740	1.4
207.13878	0.8
209.11774	2.7
211.14755	0.7
214.07211	0.8
215.17996	5.5
227.12794	100.0
228.13171	1.0
233.19000	3.9
234.64020	0.7
235.06013	0.8
275.20297	0.9
277.10202	0.9
283.15375	3.3
289.21741	0.8
405.27448	0.9
423.28867	2.3
441.29288	0.8
497.32700	3.2
502.83337	0.8
515.33685	79.9
516.34290	0.9
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
53.03942	4.3
53.73608	0.7
55.01864	2.5
55.05514	14.0
57.03437	6.9
57.07063	0.9
65.03943	3.3
67.05507	52.3
69.03438	2.3
69.06732	1.2
69.07072	16.1
71.04987	2.6
71.08590	0.9
72.67048	0.7
79.05498	41.5
81.03420	22.4
81.07061	46.3
83.04980	4.5
83.08608	6.0
85.02911	8.1
85.06535	2.0
91.05486	64.3
93.07049	51.3
95.04989	7.5
95.08613	46.9
97.02897	1.0
97.06532	3.9
97.10169	2.5
98.20717	1.7
99.08083	1.7
103.05496	0.9
105.04522	1.2
105.07041	22.7
107.04955	3.1
107.08591	19.2
109.06532	2.8
109.10167	20.0
111.08085	2.3
114.67304	0.8
115.05399	0.9
115.82878	0.8
117.07030	11.2
119.08588	62.0
121.06488	4.1
121.10149	19.8
123.08080	3.3
123.11688	5.6
125.05984	1.5
125.09568	1.9
128.06242	2.0
129.07005	6.3
131.08572	16.6
133.06517	1.0
133.10146	13.8
135.08089	3.6
135.11705	10.2
137.09621	24.1
137.13303	1.1
139.11224	2.2
141.06995	1.4
143.07056	4.8
143.08545	5.6
145.10143	13.7
147.08055	4.6
147.11690	7.8
149.09651	3.2
149.13229	4.6
155.08578	2.2
157.10144	6.6
159.08102	1.1
159.11690	8.4
161.09731	1.2
161.13229	5.8
163.11230	1.2
163.14787	2.0
165.09125	18.9
165.12785	1.1
169.10141	3.2
171.11667	5.4
173.09665	1.7
173.13258	7.0
175.11229	1.5
175.14865	2.5
179.14359	1.1
181.10127	2.8
183.10184	8.9
183.11739	3.8
185.11800	1.6
185.13303	4.7
187.11180	1.4
187.14861	2.7
189.16447	1.6
193.12350	1.4
195.11707	1.9
197.13292	1.7
199.09659	2.6
199.14853	2.7
201.12762	1.4
203.14418	1.0
207.11594	0.8
209.13371	1.3
211.13158	1.1
211.14949	1.7
213.16464	1.7
215.17940	1.4
217.15906	1.0
225.16432	1.1
227.17813	0.9
235.14929	1.2
239.12767	7.1
239.18010	0.9
243.21162	2.0
245.22743	1.5
259.20523	0.9
261.22165	5.4
263.23761	1.5
267.16034	1.4
273.22305	1.1
285.22156	2.5
301.25266	3.1
302.03256	0.9
303.23138	1.5
317.24811	1.2
327.23132	1.9
331.26102	1.0
335.25803	7.9
337.27521	1.2
345.24649	1.4
346.97205	0.9
359.25983	2.1
379.29977	1.4
389.28281	3.4
397.31195	1.7
401.27054	1.1
407.29562	8.2
419.27908	1.0
425.30356	7.6
443.31940	2.7
481.33057	3.4
499.34204	31.2
517.35254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01882	4.6
55.05516	27.0
57.03437	16.9
57.07061	4.3
61.02915	5.4
67.05510	88.1
69.03426	18.3
69.07084	26.2
69.90791	23.2
71.04981	5.8
73.02919	6.5
79.05502	69.4
81.03426	24.3
81.07061	100.0
83.04976	8.5
83.08620	16.3
84.08144	13.9
85.02907	6.7
86.42731	4.3
91.05482	53.4
93.07048	86.2
95.04980	13.8
95.08617	84.8
97.02914	10.5
97.06533	12.4
97.10191	10.1
99.08089	6.8
105.07047	48.4
107.04973	6.7
107.08602	45.3
109.06532	14.0
109.10178	34.8
111.08051	7.9
111.11703	4.0
117.07038	23.9
119.08588	44.5
121.06540	6.8
121.10152	48.9
123.08088	10.8
123.11702	13.5
125.09621	7.5
129.07005	12.3
131.08580	45.0
133.10135	33.2
135.08072	12.2
135.11690	41.8
136.15353	3.9
137.09685	5.6
141.07008	9.1
143.08585	14.7
145.10130	35.5
147.08051	7.9
147.11703	19.2
149.09599	9.1
149.13268	18.0
151.11259	5.1
155.08566	9.1
157.10135	15.3
159.11703	27.1
161.09601	6.0
161.13295	12.5
163.11156	10.6
163.14815	13.8
168.13306	4.5
171.11722	11.8
173.09610	5.3
173.13283	17.1
175.11208	6.9
175.14900	7.8
175.60016	4.2
177.12738	5.0
177.16415	6.9
181.10095	4.5
181.22723	4.2
183.11708	8.8
185.13242	4.9
187.14850	8.0
191.14235	4.2
195.11789	6.3
199.14923	7.7
212.29367	4.8
227.12816	5.7
231.17560	5.0
243.21048	22.2
261.22128	61.3
271.44043	4.7
295.27292	4.7
301.21735	5.7
303.23242	10.0
327.22922	4.7
335.25732	10.0
345.24576	9.7
353.26877	23.8
369.24350	10.1
387.25241	6.5
405.27014	9.8
419.27869	6.8
423.28940	5.1
443.27991	6.4
479.30569	5.2
497.31711	24.4
515.33472	58.5
515.40314	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37099	3.4
53.03944	5.2
55.01869	5.4
55.05518	22.8
57.03421	9.9
61.02916	4.7
63.57347	3.4
65.03956	4.2
66.43060	3.3
67.05509	89.4
69.03426	11.0
69.07076	21.1
71.01365	4.1
71.04993	5.4
71.08614	4.7
79.05507	49.9
81.03408	14.0
81.06595	5.8
81.07063	100.0
83.04958	4.8
83.08600	16.3
85.02898	9.7
85.06564	7.2
91.05488	41.4
93.06485	5.6
93.07054	71.5
94.39250	3.2
95.04971	5.8
95.08614	73.4
97.02896	3.6
97.06526	11.8
97.10145	7.3
99.08081	9.7
105.07047	38.8
107.04960	9.3
107.08607	38.8
109.06528	10.1
109.10155	34.3
110.83011	3.8
111.08061	4.0
115.10847	3.7
117.07001	14.1
119.08607	26.2
121.06518	7.4
121.10154	27.5
123.08126	4.4
123.11729	11.7
125.09598	7.6
129.07030	8.3
131.08575	30.8
133.06429	4.0
133.10141	25.7
135.08081	5.9
135.11678	21.3
137.09662	4.2
137.13252	4.8
143.08488	8.1
145.05066	3.4
145.10139	24.4
147.11714	20.9
149.09618	4.3
149.13275	19.2
151.07509	3.5
151.11147	3.7
157.10184	8.5
159.11696	24.4
161.13263	12.7
163.11212	4.1
163.14835	9.4
169.10158	4.2
171.11691	8.1
173.13266	13.8
177.16429	4.8
183.11681	7.3
185.13257	3.4
187.14783	9.7
211.14827	3.8
227.12781	3.6
228.63809	3.8
243.21097	13.7
261.22159	46.8
303.23438	3.7
335.25861	15.4
336.76651	3.8
345.24390	5.5
353.26871	21.7
359.46011	3.2
361.16687	3.9
362.51166	4.2
369.24301	5.6
377.27069	4.4
387.25095	6.6
405.26288	5.9
419.27869	8.7
443.28152	6.0
461.29010	7.1
479.29819	6.4
497.31427	14.7
515.27429	27.3
515.32532	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	514.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05514	1.8
57.03422	0.5
62.06074	0.6
67.05513	2.3
69.03411	0.4
69.07083	3.3
70.06573	0.9
71.04994	0.4
71.08630	5.1
71.53021	0.4
71.53397	0.3
72.08163	1.8
79.05499	2.5
81.03410	1.4
81.07066	3.6
83.04991	0.6
83.08589	0.7
84.08131	1.2
86.06078	4.1
91.05471	1.3
93.07037	2.8
95.08600	2.3
96.08142	2.5
97.06532	1.0
97.10184	0.8
98.06036	0.9
98.09224	0.3
98.09710	3.2
99.08080	2.5
105.07033	1.0
106.07300	0.3
107.08602	1.1
108.08146	2.0
108.08797	0.5
109.10145	0.5
110.09673	0.5
111.11693	0.4
113.08421	0.4
114.09167	0.5
116.10737	18.8
119.08589	0.9
121.08855	0.5
121.10154	2.1
122.09667	1.8
124.07554	0.6
126.09149	0.7
131.08598	0.9
133.10127	0.4
136.11171	0.5
139.11127	1.7
140.10696	0.4
143.10680	2.2
145.10210	0.4
154.12247	0.4
154.15912	2.7
157.10098	0.4
164.14357	0.4
166.15945	2.2
168.17532	0.4
170.15312	0.5
178.15938	1.0
196.16980	7.3
203.12759	0.7
210.14801	0.9
211.13275	1.1
211.49167	0.3
214.18030	100.0
215.18401	0.7
228.16006	0.7
229.14413	1.2
264.19662	0.7
276.20358	0.5
282.20673	4.8
288.57809	0.4
300.21680	2.0
301.12582	0.7
308.25412	0.4
355.79691	0.5
380.28098	1.2
398.21637	1.2
416.22861	9.7
461.29047	0.4
496.29437	1.8
497.62177	0.4
514.30280	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63865	1.6
53.03956	4.9
55.01884	5.0
55.05267	2.7
55.05509	22.6
57.03433	8.0
57.07078	3.5
61.02920	3.4
65.03934	3.2
67.05510	100.0
69.03431	5.0
69.07066	22.2
69.69758	1.6
70.18564	6.5
71.04993	4.3
73.02911	2.6
79.05499	74.0
81.03419	5.8
81.07059	99.7
83.04990	2.7
83.08639	11.3
85.02908	5.4
85.06514	3.6
91.03951	3.5
91.05486	36.1
93.07048	79.8
95.04977	5.6
95.08615	82.9
97.02887	4.9
97.06539	5.3
97.10170	4.3
99.04434	2.7
99.08117	4.8
105.04485	3.3
105.07035	32.1
106.91385	1.9
107.04955	3.5
107.08597	46.0
109.06515	5.4
109.10162	33.8
111.08069	4.0
117.07027	15.5
119.08575	25.4
121.06510	3.9
121.10149	41.6
123.08078	3.7
123.11698	15.3
125.09645	2.2
129.07005	4.6
131.04826	2.1
131.08572	23.9
133.10141	15.8
135.08076	3.3
135.11703	41.6
136.90431	1.8
137.09612	3.6
137.13266	8.1
139.11256	2.3
143.08565	2.8
145.06554	2.1
145.10138	28.0
146.41484	1.8
147.11690	16.0
149.13278	20.5
151.11224	1.9
151.14812	3.9
157.10146	3.7
159.11699	17.0
161.09569	2.3
161.13272	11.3
163.11201	18.7
163.14841	10.0
171.11708	3.1
173.13225	14.6
175.11264	2.0
175.14832	6.4
177.12813	2.2
177.16446	5.2
179.14305	2.5
181.12248	2.8
185.13312	1.9
187.14819	8.2
189.12790	2.4
189.16527	2.8
201.16420	3.1
203.28363	1.7
216.45087	1.7
223.16872	2.0
227.12770	27.2
233.22711	4.1
243.21071	25.5
261.22150	72.1
279.23230	4.7
317.24915	2.5
317.52078	1.6
335.25803	21.5
345.24380	3.8
353.26819	20.3
369.24234	3.2
377.27072	2.2
387.25421	3.0
390.47961	1.9
397.73431	1.8
405.26865	3.2
419.28049	3.7
443.27811	1.9
461.29059	2.5
479.30154	2.3
493.66406	2.0
497.31320	10.8
515.33691	38.1
535.25616	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
55.01870	4.8
55.05514	28.2
57.03431	9.4
57.07061	5.8
61.02911	3.5
65.03944	3.3
67.05509	92.1
69.03419	10.4
69.07072	23.6
69.57856	5.7
69.58266	7.6
71.01339	2.4
71.04993	6.4
71.08617	2.3
77.03904	2.3
79.05496	68.0
81.03432	12.8
81.07059	100.0
82.16623	2.1
83.04975	8.1
83.08617	14.6
84.26877	2.3
85.02895	8.7
85.06554	4.2
91.05486	48.0
93.07049	75.2
95.04981	12.4
95.08614	70.2
97.02872	6.3
97.06550	7.9
97.10168	7.6
105.07033	37.5
107.04945	6.8
107.08594	46.8
109.06510	7.6
109.10159	34.9
109.28403	2.0
111.04486	2.5
111.08084	3.3
115.05455	3.2
117.07023	17.0
119.08583	32.8
121.10153	48.2
123.08107	5.5
123.11721	15.4
125.09617	3.5
128.06229	3.3
129.07018	8.1
131.08577	26.8
133.06523	3.1
133.10146	25.6
135.08022	6.3
135.11696	35.3
137.09650	3.5
137.13249	6.9
139.11287	2.2
141.06966	2.9
142.07764	2.6
143.08548	8.5
145.06476	3.1
145.10123	28.4
147.08017	4.0
147.11691	19.0
149.09616	4.0
149.13254	25.8
151.11177	2.8
151.14841	3.4
155.08568	6.1
157.10156	8.2
159.08110	3.7
159.11691	21.8
161.13240	13.1
163.11247	6.1
163.14850	13.0
169.10121	3.0
171.08066	2.8
171.11694	8.3
173.13278	17.6
175.11002	2.7
175.14771	3.7
177.16357	3.8
183.11691	5.3
185.13301	2.5
187.14857	8.0
195.11836	2.9
195.13647	2.8
197.13220	2.8
199.14986	2.9
201.16292	2.7
201.19563	2.9
209.11681	3.3
218.36288	2.1
243.21129	27.0
261.22159	81.4
271.20438	2.6
301.21924	4.3
335.25784	9.8
345.24277	5.0
353.26932	18.8
369.24258	4.6
387.25729	4.2
405.27014	3.4
419.27808	4.1
461.28983	3.0
497.32324	12.8
515.33521	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38925	1.3
53.03941	2.1
55.01894	1.1
55.05513	3.1
57.03426	3.2
61.02917	1.9
65.20611	1.0
66.57952	1.2
67.05495	4.5
69.07071	1.9
69.22299	9.4
71.04991	1.5
74.07450	1.3
79.05481	6.9
79.68551	1.0
81.03418	77.6
81.07055	5.8
83.04967	3.3
83.08620	16.2
85.02909	2.1
91.03900	1.0
91.05475	8.9
93.07051	4.5
95.04964	22.6
97.02916	5.3
97.06525	1.4
105.07035	7.9
105.25207	1.0
107.04932	5.1
107.08601	3.1
109.06580	1.2
109.10154	1.4
111.04429	1.6
111.08080	9.5
119.08584	6.0
121.06467	2.4
121.10150	4.1
129.06976	4.6
131.08578	6.5
133.06482	3.0
133.10129	2.4
145.10161	1.5
147.08115	1.2
147.11668	5.8
147.33397	1.3
148.27991	1.2
149.09587	4.4
157.10124	8.5
165.12770	1.9
175.11194	11.0
193.12245	67.2
211.13292	5.5
249.14728	1.4
267.13025	2.4
267.15906	46.2
285.16968	100.0
295.72134	1.4
302.82034	1.1
309.17053	11.1
319.24634	1.4
326.51773	1.2
351.17807	1.2
363.17819	2.4
364.24420	1.1
375.18179	1.3
393.18826	1.5
407.62518	1.2
411.20038	2.4
429.20975	4.7
467.08255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3216
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
53.03951	4.4
55.01873	5.7
55.05515	14.3
60.57109	0.9
61.02931	1.6
65.03940	1.6
67.05508	24.1
69.03432	3.2
69.07070	20.3
71.04995	2.8
71.52640	1.1
71.53028	1.7
73.58249	0.9
79.05500	27.6
81.03424	40.8
81.07063	23.6
83.04978	4.1
83.08637	5.9
85.02902	2.6
85.06547	1.9
91.03954	1.1
91.04906	1.5
91.05482	29.3
93.07053	21.4
95.01309	1.2
95.04969	8.7
95.08611	18.0
97.02879	2.2
97.06530	6.0
97.10175	6.2
105.07039	23.2
107.04961	6.2
107.08591	16.4
109.06539	4.5
109.10182	8.7
111.08100	1.8
115.05446	1.3
117.07033	10.4
119.04911	1.0
119.08583	19.8
120.85168	1.0
121.06499	5.7
121.10155	7.0
122.71785	0.8
123.08067	4.2
123.11707	2.5
125.05979	1.4
125.09663	5.2
127.03939	1.2
128.06209	2.3
129.07028	7.4
130.07762	1.1
131.08578	10.2
133.06502	3.2
133.10117	11.4
135.08044	6.2
135.11702	3.5
137.09630	8.0
141.07039	3.0
142.07817	1.3
142.15900	0.9
143.07040	2.2
143.08569	7.7
145.06470	4.5
145.10124	12.7
147.08057	4.9
147.11687	7.3
149.09610	7.0
149.13298	1.5
151.11238	1.4
153.09122	1.1
154.07832	1.0
155.08597	5.1
157.06575	1.5
157.10143	7.3
159.08089	2.0
159.11691	8.7
161.09668	3.0
161.13292	3.5
163.07556	1.5
163.11217	3.3
165.09126	9.3
167.08574	3.0
169.10139	4.4
171.08090	2.1
171.11646	5.4
173.09645	2.4
173.11810	1.2
173.13269	3.0
175.11168	1.6
177.09119	2.8
177.12830	1.6
179.14369	2.0
181.10130	3.0
183.08138	2.2
183.11707	5.0
185.09628	2.1
185.13292	3.5
187.11197	2.6
187.14854	1.7
189.11295	2.1
189.12813	1.1
191.06958	1.0
195.11664	2.4
197.09752	1.5
197.13260	2.6
199.11122	1.9
199.14787	2.2
203.10800	1.2
205.10355	0.9
205.12288	1.1
207.11780	1.7
209.13315	1.9
211.11220	1.6
211.14861	1.4
213.12779	2.0
213.16423	1.1
217.12314	0.9
225.12720	1.6
237.12749	1.1
239.17957	1.9
241.12323	1.3
241.19641	1.5
253.16022	1.3
257.18970	3.2
259.20563	6.1
271.16953	2.5
275.20050	17.5
293.21335	2.0
325.21649	1.2
327.19699	1.4
331.22672	1.1
349.23831	2.0
351.25394	9.5
375.21893	1.4
393.27914	1.7
401.22739	1.0
403.26379	3.0
421.27380	10.1
439.28366	7.6
457.29434	1.7
459.27518	1.3
468.95413	1.1
495.31003	7.4
513.32159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
55.05512	4.7
57.07072	5.1
65.03932	1.7
67.05178	1.9
67.05514	23.6
69.03430	2.6
69.07074	25.5
69.37380	3.1
69.37784	8.2
70.06598	4.2
71.04999	9.2
79.05494	9.8
81.07063	17.3
83.04992	4.0
85.06551	35.9
86.09708	2.6
86.40611	1.3
91.05476	13.4
93.07048	15.5
95.04977	24.3
95.08614	27.6
97.06539	11.4
97.10157	1.5
99.04455	4.6
99.08119	2.6
105.07040	17.3
107.04984	3.6
107.08606	16.5
107.40615	1.2
109.06535	6.0
109.10186	4.2
111.08103	2.3
113.06010	14.9
113.09610	2.7
115.07570	10.0
116.49989	1.2
117.07042	4.1
119.08575	14.4
120.08111	2.6
121.06528	11.3
121.10149	6.6
123.08087	24.3
125.09641	3.4
128.06244	3.6
129.07013	4.4
131.04967	2.9
131.08566	15.8
133.06502	2.2
133.10159	10.2
135.04460	6.1
135.08084	7.1
135.11700	3.4
137.05997	2.3
137.09644	3.4
141.07011	1.4
141.09123	20.5
142.07819	2.9
143.08601	10.8
143.10670	2.1
145.06497	5.6
145.10127	9.0
147.08052	11.8
147.11702	6.2
149.09653	3.5
151.07545	1.8
151.11220	2.6
155.08530	6.3
157.10144	9.9
159.08078	8.1
159.10229	7.3
159.11732	6.2
161.09639	10.6
163.07617	2.3
163.11176	3.5
165.07045	1.7
167.08574	1.9
169.10117	7.7
170.10904	1.3
171.08080	15.4
171.11655	6.8
173.09647	13.0
173.13318	4.0
175.11218	5.2
177.09128	1.9
177.12801	1.9
179.08531	2.2
179.10736	2.4
180.09396	1.7
181.10164	6.6
181.12093	1.2
183.08101	2.4
183.11699	5.0
185.09673	7.9
185.13248	3.8
187.07582	3.8
187.11189	4.8
189.09125	21.1
189.12796	4.6
191.10794	1.8
193.10210	3.4
193.12315	3.3
195.11774	6.8
195.13629	1.5
197.09561	6.0
197.13344	5.8
199.11212	10.2
199.14815	1.7
201.09009	1.8
201.12747	4.0
203.10707	4.5
203.14389	1.8
205.10338	1.7
205.12308	4.5
206.11009	1.4
207.10178	7.3
207.11784	3.0
208.08864	1.7
209.09695	2.8
209.13329	3.9
211.11275	5.5
211.14890	3.9
213.12776	8.4
215.10725	2.9
215.14236	2.0
217.12183	3.0
218.10876	2.1
219.11699	1.9
221.13292	5.3
223.11162	5.9
223.14842	1.7
225.12820	5.0
225.16290	1.4
227.10678	1.8
227.14363	5.1
229.12276	4.6
229.15886	4.2
231.13844	5.0
235.11163	1.9
235.14856	5.1
237.12828	3.0
239.14336	4.7
241.12291	3.6
241.15947	2.5
243.13933	2.0
245.15512	1.7
247.08734	3.7
249.12706	1.5
251.14218	2.9
251.18051	1.5
253.12625	1.3
253.15817	7.2
257.15482	2.1
263.14240	6.3
265.16132	3.2
267.17447	1.4
269.15417	7.6
269.18912	1.9
271.17068	2.3
273.15073	1.8
281.15439	19.8
281.18713	2.7
283.16937	8.5
285.18576	2.3
291.17389	1.7
293.18961	3.0
295.17145	1.7
297.14966	2.1
299.16562	7.1
301.18091	5.1
309.18433	8.4
311.16669	2.0
311.19971	8.3
313.18011	2.4
319.19061	3.8
323.20160	6.5
327.19687	8.2
329.21149	1.8
335.18848	3.1
337.17987	2.1
341.21179	9.2
345.20602	2.5
347.20154	2.7
351.19562	11.8
353.20972	1.9
355.18948	2.5
359.22079	7.3
363.22208	5.6
365.21210	6.5
369.20642	10.5
377.24695	2.0
381.24265	4.1
383.22110	6.3
387.22379	4.1
399.25320	3.0
401.23325	7.7
405.24261	10.8
411.25354	1.6
413.26416	1.5
423.25342	39.0
441.26385	50.6
459.27444	37.1
477.28467	19.4
495.29782	8.3
513.30640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05513	2.7
59.05000	1.8
65.03947	1.9
67.05512	7.8
69.03432	3.0
69.07072	4.7
69.37624	5.5
69.38031	2.4
70.06599	3.4
71.04994	18.9
72.08159	1.7
79.05499	6.8
81.03442	1.8
81.07058	7.2
83.04977	4.7
83.26191	1.1
84.08153	1.5
85.02914	1.6
85.06548	3.6
86.09686	1.4
87.88483	1.1
91.05481	7.1
93.07054	10.5
94.52109	1.1
95.04974	18.4
95.08618	16.3
97.06548	12.4
98.21562	2.3
99.04463	4.9
99.08101	5.7
103.05482	1.8
105.07036	12.4
107.04972	3.8
107.08603	11.9
109.06517	8.1
109.10172	3.2
111.08103	1.4
113.06016	16.9
113.09655	2.1
115.05515	1.4
115.07577	2.1
117.07041	4.4
119.04926	2.2
119.08601	8.7
121.06542	8.5
121.10149	4.3
123.04501	1.3
123.08082	35.7
123.11742	1.6
125.09661	3.8
128.06226	3.9
129.07014	4.4
131.04903	1.7
131.08586	12.0
133.06485	2.4
133.10161	7.7
135.04413	5.3
135.08072	4.1
135.11679	1.3
137.06010	3.8
137.09633	1.9
141.07036	3.5
141.09122	26.5
142.07791	2.7
143.08572	11.0
144.09387	1.3
145.06520	4.9
145.10149	7.1
147.08081	11.3
149.06000	1.8
149.09671	6.9
151.07579	2.1
151.11223	1.8
153.07062	1.3
155.08566	4.8
157.10115	8.3
159.08128	9.8
159.10202	14.7
159.11711	5.8
161.09598	12.2
163.07553	1.3
163.11195	5.2
165.07126	1.4
165.12813	1.6
165.92139	1.0
167.08598	2.3
168.09363	2.2
169.10172	6.4
171.08046	13.6
171.11668	5.5
173.09613	9.2
173.13272	1.5
175.07509	1.5
175.11209	3.3
177.09203	1.7
179.08536	2.2
179.10503	1.0
180.09396	1.9
181.06590	1.1
181.10069	6.9
183.08020	2.0
183.11719	6.2
185.09634	7.2
185.13297	2.7
187.07631	2.5
187.11247	3.8
189.09140	19.8
189.12733	3.9
191.10806	1.6
193.10196	3.1
193.12274	9.3
194.10873	1.7
195.08072	1.0
195.11737	6.8
195.13603	1.8
197.09639	5.1
197.13263	3.5
199.07503	1.4
199.11185	7.2
201.09203	3.0
201.12718	5.1
203.10735	4.0
205.10297	1.9
205.12228	1.9
207.10046	7.2
207.11804	3.3
209.09671	2.3
209.13309	3.7
211.11224	3.7
211.14902	3.1
213.09145	1.3
213.12738	6.2
213.16391	1.2
215.10730	2.0
217.12383	2.0
219.11775	1.5
220.12485	1.4
221.13304	5.0
222.10451	1.2
223.11256	4.9
223.14810	2.8
225.12782	4.2
225.16444	1.6
227.10738	1.9
227.14307	7.0
229.12305	4.7
229.15892	2.2
230.10959	1.7
231.13913	3.9
232.12563	1.2
233.63609	1.1
234.21643	1.3
235.11336	1.3
235.14883	3.5
236.12006	1.3
237.12787	4.1
239.14301	5.4
241.12361	1.9
241.15965	1.6
245.15398	2.0
249.16446	1.8
251.14333	4.2
253.12280	2.2
253.15826	5.9
255.13834	3.8
263.14362	4.5
267.13718	1.6
267.17511	5.1
269.15369	16.6
271.16986	3.0
279.13834	3.9
281.15427	13.6
281.18680	2.2
283.17004	6.1
285.18716	2.4
291.17395	3.0
293.18982	2.4
295.16962	2.7
297.14883	1.9
299.16507	6.7
301.18011	4.5
309.18515	11.8
311.16550	2.8
311.20145	6.5
313.18033	3.4
319.16467	1.5
319.19421	2.4
321.03952	2.3
323.20035	2.7
327.19846	5.9
329.21210	2.1
333.18552	1.3
335.19687	2.6
337.17886	8.5
341.21033	10.9
345.20792	1.4
351.19580	27.9
353.21027	3.6
355.19040	7.8
359.22098	3.4
361.65338	1.3
363.21997	3.6
365.11157	1.2
365.21259	2.3
369.20593	22.1
371.22095	1.3
373.20346	1.7
377.23813	3.3
381.24213	3.1
383.22174	2.3
387.21817	8.5
389.23291	1.3
399.25241	1.6
405.24365	8.3
423.25323	30.4
441.26422	33.1
459.27512	38.4
477.28461	13.7
495.29605	8.9
513.30658	100.0
514.30957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05513	2.7
59.05000	1.8
65.03947	1.9
67.05512	7.8
69.03432	3.0
69.07072	4.7
69.37624	5.5
69.38031	2.4
70.06599	3.4
71.04994	18.9
72.08159	1.7
79.05499	6.8
81.03442	1.8
81.07058	7.2
83.04977	4.7
83.26191	1.1
84.08153	1.5
85.02914	1.6
85.06548	3.6
86.09686	1.4
87.88483	1.1
91.05481	7.1
93.07054	10.5
94.52109	1.1
95.04974	18.4
95.08618	16.3
97.06548	12.4
98.21562	2.3
99.04463	4.9
99.08101	5.7
103.05482	1.8
105.07036	12.4
107.04972	3.8
107.08603	11.9
109.06517	8.1
109.10172	3.2
111.08103	1.4
113.06016	16.9
113.09655	2.1
115.05515	1.4
115.07577	2.1
117.07041	4.4
119.04926	2.2
119.08601	8.7
121.06542	8.5
121.10149	4.3
123.04501	1.3
123.08082	35.7
123.11742	1.6
125.09661	3.8
128.06226	3.9
129.07014	4.4
131.04903	1.7
131.08586	12.0
133.06485	2.4
133.10161	7.7
135.04413	5.3
135.08072	4.1
135.11679	1.3
137.06010	3.8
137.09633	1.9
141.07036	3.5
141.09122	26.5
142.07791	2.7
143.08572	11.0
144.09387	1.3
145.06520	4.9
145.10149	7.1
147.08081	11.3
149.06000	1.8
149.09671	6.9
151.07579	2.1
151.11223	1.8
153.07062	1.3
155.08566	4.8
157.10115	8.3
159.08128	9.8
159.10202	14.7
159.11711	5.8
161.09598	12.2
163.07553	1.3
163.11195	5.2
165.07126	1.4
165.12813	1.6
165.92139	1.0
167.08598	2.3
168.09363	2.2
169.10172	6.4
171.08046	13.6
171.11668	5.5
173.09613	9.2
173.13272	1.5
175.07509	1.5
175.11209	3.3
177.09203	1.7
179.08536	2.2
179.10503	1.0
180.09396	1.9
181.06590	1.1
181.10069	6.9
183.08020	2.0
183.11719	6.2
185.09634	7.2
185.13297	2.7
187.07631	2.5
187.11247	3.8
189.09140	19.8
189.12733	3.9
191.10806	1.6
193.10196	3.1
193.12274	9.3
194.10873	1.7
195.08072	1.0
195.11737	6.8
195.13603	1.8
197.09639	5.1
197.13263	3.5
199.07503	1.4
199.11185	7.2
201.09203	3.0
201.12718	5.1
203.10735	4.0
205.10297	1.9
205.12228	1.9
207.10046	7.2
207.11804	3.3
209.09671	2.3
209.13309	3.7
211.11224	3.7
211.14902	3.1
213.09145	1.3
213.12738	6.2
213.16391	1.2
215.10730	2.0
217.12383	2.0
219.11775	1.5
220.12485	1.4
221.13304	5.0
222.10451	1.2
223.11256	4.9
223.14810	2.8
225.12782	4.2
225.16444	1.6
227.10738	1.9
227.14307	7.0
229.12305	4.7
229.15892	2.2
230.10959	1.7
231.13913	3.9
232.12563	1.2
233.63609	1.1
234.21643	1.3
235.11336	1.3
235.14883	3.5
236.12006	1.3
237.12787	4.1
239.14301	5.4
241.12361	1.9
241.15965	1.6
245.15398	2.0
249.16446	1.8
251.14333	4.2
253.12280	2.2
253.15826	5.9
255.13834	3.8
263.14362	4.5
267.13718	1.6
267.17511	5.1
269.15369	16.6
271.16986	3.0
279.13834	3.9
281.15427	13.6
281.18680	2.2
283.17004	6.1
285.18716	2.4
291.17395	3.0
293.18982	2.4
295.16962	2.7
297.14883	1.9
299.16507	6.7
301.18011	4.5
309.18515	11.8
311.16550	2.8
311.20145	6.5
313.18033	3.4
319.16467	1.5
319.19421	2.4
321.03952	2.3
323.20035	2.7
327.19846	5.9
329.21210	2.1
333.18552	1.3
335.19687	2.6
337.17886	8.5
341.21033	10.9
345.20792	1.4
351.19580	27.9
353.21027	3.6
355.19040	7.8
359.22098	3.4
361.65338	1.3
363.21997	3.6
365.11157	1.2
365.21259	2.3
369.20593	22.1
371.22095	1.3
373.20346	1.7
377.23813	3.3
381.24213	3.1
383.22174	2.3
387.21817	8.5
389.23291	1.3
399.25241	1.6
405.24365	8.3
423.25323	30.4
441.26422	33.1
459.27512	38.4
477.28461	13.7
495.29605	8.9
513.30658	100.0
514.30957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01870	3.4
55.05511	10.5
57.03417	4.0
57.07063	3.0
61.02930	7.6
65.03935	3.0
67.05504	26.6
69.03433	4.3
69.07069	10.4
70.01305	3.0
70.01697	3.6
71.04981	3.4
73.02914	4.9
79.05492	34.0
81.03423	8.9
81.07058	30.0
83.04981	2.9
83.08610	7.5
85.02902	10.3
85.06532	2.3
91.03954	4.2
91.05480	27.2
93.07044	42.0
95.04958	4.2
95.08614	19.4
97.02872	7.7
97.06548	4.1
97.10148	3.4
99.08089	3.1
102.71665	1.4
105.06411	2.2
105.07038	25.2
107.04961	4.1
107.08595	26.1
109.06523	4.0
109.10138	10.7
111.08074	2.2
115.05460	2.3
117.07012	7.7
119.07800	2.6
119.08582	27.1
121.06513	1.5
121.10153	18.0
123.08064	2.1
123.11682	1.7
125.09644	2.5
127.03911	2.3
129.06992	7.1
131.08577	14.4
133.06502	1.7
133.10139	21.3
135.08054	2.3
135.11678	16.7
136.00752	1.4
137.09622	1.9
142.07794	2.1
143.08572	7.1
145.10124	15.4
147.08067	1.6
147.11673	20.1
149.09634	3.8
149.13249	12.0
150.32234	1.7
155.08537	1.6
157.10147	8.9
159.08078	2.3
159.11687	11.5
161.13246	17.4
163.11156	3.6
163.14851	4.2
167.08531	1.7
169.10158	2.3
171.11647	11.0
173.09537	2.1
173.13231	7.1
175.11182	3.2
175.14809	11.3
177.12798	1.6
181.10013	1.8
183.11740	2.5
185.13206	7.7
187.14757	2.0
199.11118	1.8
199.14854	3.6
203.14299	1.5
211.11327	1.4
215.17995	1.8
217.19473	1.6
231.17395	2.0
231.21036	3.7
234.34821	1.4
241.19524	13.7
247.16925	2.2
259.20572	40.7
267.20816	1.4
275.19925	2.0
277.21570	6.0
301.21399	1.7
325.21463	1.7
333.24335	7.5
343.22879	1.7
349.23843	2.2
351.25296	100.0
353.54425	1.4
361.23340	2.2
363.25146	1.8
367.22665	2.0
370.54938	1.5
385.23584	1.8
403.26163	1.6
417.26886	1.9
420.66214	2.3
439.27466	2.0
441.26227	6.1
459.27536	3.3
477.28494	2.8
495.29443	5.8
512.75793	1.9
513.32129	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01866	8.8
55.05513	20.4
55.65128	1.6
61.02934	9.6
65.03941	3.4
67.05510	47.2
69.03439	7.6
69.07072	28.9
69.44258	11.4
69.44674	3.8
71.04981	5.2
79.05495	58.3
81.03423	47.8
81.07060	46.9
83.04991	5.7
83.08630	10.1
85.02914	9.8
85.06546	2.6
91.03973	4.9
91.04908	2.7
91.05485	48.5
93.07052	46.9
95.04979	13.8
95.08618	28.3
97.02874	10.1
97.06541	11.2
97.10175	8.4
97.74825	1.8
105.07035	46.1
105.07698	3.8
107.04965	10.0
107.08601	32.5
109.06523	7.4
109.10168	15.5
111.04447	2.0
111.08106	4.9
115.05493	2.0
117.07028	18.8
119.08591	48.0
119.09479	2.3
121.06519	6.9
121.10131	19.2
123.08079	5.7
123.11652	2.5
125.09666	7.5
127.04012	1.9
128.06241	3.2
129.07016	14.9
131.04951	2.4
131.08578	31.6
133.06494	6.8
133.10138	28.3
135.08081	8.0
135.11688	16.0
137.09645	10.6
141.07030	3.3
142.07809	3.3
143.07024	2.7
143.08611	16.0
145.06494	4.6
145.10123	24.9
147.08063	7.2
147.11716	26.2
149.09631	9.2
149.13290	9.8
155.08571	5.3
157.06593	2.7
157.10132	13.6
159.08044	3.2
159.11723	12.9
161.09659	3.6
161.13275	15.4
163.11230	5.5
163.14853	2.4
165.09172	8.5
167.08633	5.3
169.10172	8.6
171.08051	4.1
171.11697	15.1
173.09724	3.8
173.13300	7.6
175.11252	3.3
175.14835	9.4
177.09193	4.2
177.12773	4.7
179.08583	2.6
181.10220	5.4
183.11720	6.5
185.09647	3.0
185.13321	8.4
187.11162	4.3
187.14896	2.6
189.11169	2.5
189.12762	3.1
193.10266	2.2
193.12259	2.5
195.11694	3.6
197.09644	2.5
197.13324	6.2
199.14911	4.8
201.16367	2.2
213.12895	2.8
213.16422	3.0
225.12608	2.5
231.21271	3.8
241.19553	13.9
247.16905	2.5
257.19110	3.3
259.20624	33.2
267.15848	2.3
269.17789	2.2
275.20126	15.3
277.21561	2.6
308.40701	2.2
341.21149	2.6
349.23785	4.4
351.25327	60.0
363.25708	2.2
367.22708	2.5
385.23935	2.9
403.26065	8.1
421.27286	12.4
439.28165	4.7
441.26657	2.9
457.30176	2.9
459.27777	3.2
495.31039	11.8
513.32190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01870	3.6
55.05513	12.7
55.90257	1.7
57.03423	6.0
59.05008	1.6
61.02924	12.0
65.03944	2.6
67.05505	29.8
69.03430	5.4
69.07075	12.3
69.85825	6.4
71.05003	2.8
73.02915	4.1
79.05499	36.2
81.03423	24.0
81.07065	34.4
83.04993	4.5
83.08630	7.0
85.02921	10.0
85.06546	4.2
91.03950	5.3
91.05482	37.6
91.71752	1.8
93.07052	48.3
95.04973	6.8
95.08623	24.7
97.02903	4.9
97.06541	3.4
97.10178	2.3
98.21532	2.1
105.07033	34.1
107.04969	2.8
107.08596	26.3
109.06512	4.1
109.10170	7.8
111.08104	2.2
117.06996	9.8
119.08583	35.5
121.06532	4.1
121.10143	25.5
123.08083	3.0
125.09664	2.5
128.06224	2.3
129.07007	9.2
130.50401	1.7
131.08571	17.8
133.06474	2.6
133.10124	22.7
135.08063	4.1
135.11693	20.8
137.09615	4.2
143.08582	8.3
145.06487	2.4
145.10138	14.9
147.11699	25.7
149.09610	3.1
149.13251	12.5
151.11147	2.3
155.08524	2.5
157.10175	10.3
159.11703	12.4
161.09691	2.2
161.13272	18.7
163.11189	5.1
163.14763	2.9
165.09126	2.2
167.08716	2.0
169.10146	4.2
171.11649	11.5
173.09625	2.5
173.13231	9.5
175.11256	2.7
175.14871	11.3
177.12700	2.1
179.14273	4.1
181.10304	2.4
183.11658	3.3
185.13289	7.2
189.12732	2.6
191.14355	2.7
199.14861	6.2
213.16393	3.2
217.19521	1.9
231.17577	2.0
231.21136	4.7
239.14349	2.2
241.19536	23.4
257.19080	3.7
259.20596	41.3
267.15915	3.3
275.20068	7.7
277.21667	8.2
283.20734	2.2
293.21234	2.9
297.22174	2.0
301.21439	3.3
313.48764	1.7
333.24216	8.1
349.23959	3.8
351.25327	100.0
421.27179	3.5
429.25992	2.4
439.27924	2.0
441.26273	4.8
459.27338	4.6
477.28369	3.4
495.29999	8.9
513.32245	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.0
55.01867	16.4
55.05519	43.3
57.03445	22.7
57.07087	3.5
60.65379	3.6
61.02918	16.7
65.03934	5.5
67.05508	80.9
69.03432	35.6
69.07067	50.5
70.64332	7.5
71.01345	4.0
71.04984	9.5
71.08637	4.3
73.02915	10.6
79.05499	64.8
81.03416	56.9
81.07060	82.1
83.04980	17.2
83.08631	21.4
85.02903	36.1
85.04215	3.2
85.06533	6.6
91.03949	8.8
91.05480	64.5
93.07047	65.4
95.04962	19.7
95.08618	53.1
97.02898	26.4
97.06529	34.2
97.10191	18.0
99.04486	8.0
99.08102	7.7
101.02391	6.2
103.00629	4.2
103.03935	6.5
103.05501	3.3
105.04575	4.8
105.07032	56.1
107.04959	17.9
107.08596	44.3
109.02863	12.9
109.06525	12.5
109.10156	26.9
111.04431	8.1
111.08079	9.7
113.06036	3.7
115.05447	4.2
117.07045	25.6
119.08581	42.6
119.63550	3.0
121.06517	11.5
121.10143	29.3
123.08035	5.9
123.11703	7.4
125.09649	16.3
127.03912	19.6
129.05508	4.7
129.07018	13.8
131.08580	37.3
133.06450	3.8
133.10144	44.6
135.08040	10.1
135.11700	19.8
137.09659	12.1
139.11192	4.6
140.68269	3.3
142.07758	3.6
143.08540	15.4
145.05020	5.8
145.10152	31.1
147.08044	7.1
147.11749	26.0
149.09676	20.4
149.13278	8.8
151.11192	10.1
155.08565	7.0
157.10153	13.8
159.08064	4.9
159.11662	16.0
161.09622	8.1
161.13248	6.0
163.11168	16.7
165.12808	4.1
169.10045	4.3
171.11688	8.8
173.04416	6.7
173.09589	4.8
173.11865	3.9
173.13290	8.8
175.11198	7.4
177.12720	8.2
179.14330	5.9
183.11671	9.7
187.11270	5.8
189.11255	11.0
189.64168	3.6
191.10681	3.3
191.14304	3.8
193.12170	7.4
197.13341	7.0
199.14999	3.9
213.12675	3.9
218.09503	3.5
227.12791	10.4
229.14339	7.7
229.19493	7.6
239.17990	9.9
247.20604	7.3
257.19058	19.2
265.14224	6.0
267.15918	9.0
273.18851	3.7
275.20093	100.0
283.15393	8.5
293.21109	6.2
321.17337	3.4
331.22617	7.1
349.23752	98.8
350.14560	3.2
352.25787	9.6
367.24750	5.0
370.26651	6.6
377.23108	3.5
383.22031	3.9
395.14865	4.2
419.24664	4.0
457.26007	7.2
475.26898	8.9
493.27985	13.3
511.16174	39.2
511.29553	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01870	0.4
55.05515	2.0
55.85291	0.3
56.05043	0.4
57.03439	3.4
58.99594	1.9
59.59634	0.3
61.02919	0.9
65.03933	0.7
67.05507	4.1
69.03430	1.5
69.07076	1.7
70.06580	0.3
71.01355	1.7
71.04993	0.6
71.12373	0.6
73.02919	6.6
79.05498	3.8
80.05018	1.2
81.03420	0.9
81.06670	0.4
81.07072	4.1
82.06562	1.3
83.04980	1.1
83.08605	0.7
84.08139	0.4
85.02891	1.3
85.06546	0.4
86.00662	0.4
86.06045	0.4
86.99046	0.9
88.03996	1.0
91.05478	5.3
93.05794	1.2
93.07054	2.5
94.06567	0.9
95.07356	0.4
95.08601	2.8
97.01115	1.1
97.02912	0.7
97.06538	0.5
99.02663	1.1
103.05483	0.6
105.00124	0.7
105.04436	0.3
105.07046	2.9
106.06537	1.5
106.07211	0.3
107.07323	0.5
107.08601	1.2
108.08120	6.5
108.08801	0.3
109.10136	0.7
111.02678	1.8
112.02187	0.4
113.04210	0.6
115.03918	0.4
115.05462	0.7
116.06265	0.4
117.05758	0.8
117.07020	2.1
118.06525	1.4
119.08588	1.7
120.08096	1.3
121.08898	0.5
121.10139	0.9
122.09641	0.7
123.02659	0.9
125.04222	0.7
125.05994	0.4
125.15584	0.4
128.06224	1.4
129.07022	2.5
130.06523	1.1
130.07751	0.4
131.07338	0.9
131.08577	2.5
132.01164	0.5
132.08102	2.9
133.10147	1.0
134.09660	1.1
135.02609	0.7
136.02209	0.4
137.04150	0.4
139.05717	0.4
140.05281	1.1
141.00075	0.3
141.07005	0.4
142.07785	0.7
143.07510	0.4
143.08542	2.2
144.08125	0.7
145.08942	0.6
145.10143	1.4
146.09615	2.4
147.02698	0.4
147.10513	0.4
147.11674	0.4
148.03433	0.5
148.11160	0.5
149.04221	0.9
150.03728	1.3
151.04453	0.3
152.05281	1.0
153.07188	0.3
155.07373	0.3
155.08521	0.7
156.08144	0.5
157.08971	0.5
157.10066	1.8
158.09666	1.0
159.11717	0.7
160.11275	2.0
161.04216	0.6
161.13301	0.5
163.05753	0.9
164.05304	1.0
165.06001	0.3
166.06908	2.9
170.09610	0.4
171.11765	0.6
172.11195	0.8
174.12762	0.8
175.05792	0.4
176.05316	0.5
177.07301	0.4
178.06865	0.5
183.11656	0.5
186.05890	1.4
186.12825	0.7
189.07417	0.4
190.06738	0.5
196.04214	0.6
197.05072	1.0
202.09004	0.4
210.05783	0.6
211.06575	0.4
212.07437	4.5
236.05754	0.4
259.20575	2.1
276.23218	5.7
284.15677	0.3
286.21817	0.5
293.19412	0.4
300.23193	0.7
313.58179	0.3
334.22055	3.8
380.22556	100.0
381.22922	1.0
422.23499	0.3
476.27020	0.6
494.27548	0.5
512.26794	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	511.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89759	0.7
56.96537	1.4
58.99837	0.8
69.03416	1.2
71.51395	1.0
73.02888	0.8
75.91206	0.6
81.03381	1.4
82.99805	3.6
85.02914	4.2
91.03910	0.8
94.99815	1.2
97.02855	3.0
98.97566	1.9
101.00886	21.0
109.02832	1.1
113.00879	5.3
115.02401	1.4
119.01926	26.6
127.02411	3.6
127.03886	1.6
129.00311	0.6
131.01913	18.3
132.33643	0.7
133.03412	2.2
135.04407	0.6
137.02933	2.1
139.02400	5.0
141.03957	0.7
141.33215	0.6
143.01906	29.4
143.03044	1.5
145.03484	14.1
145.04779	1.3
147.01347	2.1
149.02948	1.7
151.02383	0.6
155.01903	26.0
157.02255	1.1
157.03479	18.4
159.05023	3.0
161.02965	21.0
163.03894	1.1
167.01910	14.4
168.99734	3.3
169.03459	5.7
169.05051	1.0
171.01421	1.0
171.05023	2.9
173.02971	32.0
175.04492	4.1
177.02455	1.9
179.01923	4.9
179.04048	0.8
180.99808	1.1
181.03448	1.2
183.01459	4.6
184.04724	0.9
185.02962	53.5
187.00888	3.2
187.04465	5.4
191.03940	2.0
195.01439	1.6
196.99306	3.1
197.02951	16.7
199.00914	1.3
199.04556	2.0
201.02461	19.2
203.04010	15.8
205.01938	1.8
209.02936	1.8
211.00932	1.2
211.04527	1.7
213.02460	9.4
215.00414	10.1
215.04010	10.9
219.01631	1.0
219.03516	8.4
221.03078	1.1
221.04999	6.0
227.03989	10.3
228.05661	0.9
229.01952	36.9
231.03502	3.2
239.03999	3.0
239.06078	1.0
241.02008	3.4
243.03651	1.1
245.05083	100.0
246.05171	1.1
247.02998	23.6
250.08121	0.8
255.03615	0.9
257.05078	6.6
259.03012	10.4
259.08435	0.8
261.02936	0.7
263.06149	11.7
269.05090	0.8
270.04654	1.3
271.02908	4.4
273.04758	0.9
275.06113	16.4
277.04089	2.0
283.02951	1.1
285.04645	2.1
287.06018	0.9
289.04065	12.0
293.07196	3.9
299.02432	2.4
301.04340	0.6
303.05609	2.7
305.07181	12.5
313.04004	3.1
317.07233	1.1
321.06683	1.1
331.05124	35.9
335.08386	4.6
349.06174	59.8
365.09344	8.7
391.07156	1.5
421.08771	0.9
425.20358	0.9
452.62885	0.7
511.11499	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3548
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
51.61023	0.4
55.05510	1.8
56.05037	1.3
56.27149	0.5
57.03424	1.3
57.07080	8.8
58.06603	1.3
60.08167	15.5
67.05508	4.6
68.05834	1.1
69.07072	2.3
70.03927	1.9
71.07378	6.4
71.08641	6.4
79.05491	0.9
81.07056	5.7
83.08623	3.6
85.10187	4.5
86.09711	47.3
91.05522	0.5
93.07040	0.7
94.07388	0.8
95.08617	6.0
96.08945	1.0
97.10149	2.0
98.98474	7.1
104.10751	100.0
107.08595	0.4
109.10143	2.8
110.96030	0.4
121.10149	0.6
121.65319	0.5
123.11697	0.5
125.00013	24.1
139.48003	0.5
155.01053	1.3
163.01508	0.5
173.01990	0.6
180.21194	0.5
184.07353	90.5
226.15114	0.5
239.23712	4.7
258.11023	1.0
313.27368	18.6
327.28989	1.3
331.28510	2.5
337.27356	1.9
338.27716	8.5
410.22299	0.5
474.27151	0.9
475.33005	0.5
492.34479	10.1
510.35580	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.2
55.05513	6.5
57.03436	3.4
57.07080	49.2
61.02923	2.8
63.53437	1.2
67.05512	15.8
69.03428	2.5
69.07072	8.9
70.49474	1.0
71.08639	37.6
75.04491	1.7
79.05463	1.1
81.03413	2.0
81.07063	20.3
83.08619	15.2
85.02902	8.2
85.06564	1.5
85.10187	24.4
86.09702	2.9
89.06042	2.1
91.03934	1.4
93.07041	2.0
95.08616	28.3
97.02897	4.1
97.10182	10.5
99.11728	2.1
104.10749	6.0
109.02888	2.4
109.10166	15.2
110.68142	1.2
111.11721	2.4
112.28991	1.1
123.11726	6.4
123.12496	1.4
127.03918	3.3
137.13269	3.1
140.80891	1.2
145.04965	2.5
184.07355	5.0
221.22778	1.5
239.23701	35.7
257.24838	3.2
313.27371	100.0
325.25244	1.5
331.28452	22.1
383.27884	5.0
401.29001	16.0
477.55325	1.3
510.35965	1.6
523.33289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91538	1.2
71.50800	2.3
82.99878	4.2
94.93008	1.8
94.99865	1.3
101.00892	23.7
101.21195	1.3
108.16409	1.6
109.02881	1.3
113.00890	7.1
115.02415	2.6
119.01933	17.9
127.02414	4.7
131.01921	11.0
133.03436	3.4
137.02991	1.8
139.02425	6.0
143.01909	34.7
145.03459	15.9
147.01282	1.7
155.01906	28.6
157.03470	19.4
159.05022	3.7
161.02969	16.2
167.01894	19.0
169.03459	6.0
171.05006	2.5
173.02977	29.7
175.04593	2.9
179.01897	7.0
181.03357	1.6
183.01355	8.1
185.02966	50.4
187.04520	4.1
195.01471	3.1
197.02948	18.8
199.04437	1.8
201.02446	23.7
203.04016	15.0
209.02902	2.0
213.02457	8.3
215.04010	10.1
219.03474	7.9
221.05032	4.1
227.03964	9.3
229.01938	50.9
229.06741	2.3
231.03516	2.9
239.04015	3.4
241.01883	3.7
243.03531	2.8
245.05086	100.0
247.02977	20.8
257.05109	5.2
259.03009	9.0
263.06168	10.2
271.02890	1.6
275.06140	12.8
285.04565	3.2
289.04089	10.7
293.07159	2.2
303.05350	1.8
304.74426	1.5
305.07129	12.0
313.04114	2.4
331.05038	31.1
335.08109	5.0
349.06183	65.0
365.09314	11.2
511.11435	36.0
529.36945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
60.04515	1.1
60.46435	0.5
65.03947	0.5
67.05502	0.8
68.05022	0.5
69.03433	6.7
69.76088	2.0
70.06604	2.8
72.08157	0.9
74.06068	0.4
75.04498	0.6
79.05492	0.7
80.78755	0.4
81.07077	0.4
84.08142	0.7
85.02892	1.0
86.06071	16.5
86.09711	0.8
87.04473	45.5
91.05488	4.1
93.03376	2.5
93.07046	1.2
95.04989	0.8
97.02879	0.5
98.21525	0.4
103.05462	1.4
104.07107	100.0
105.07021	0.5
106.04180	4.7
106.66698	0.4
107.04967	0.7
109.10165	0.7
110.07159	0.5
115.05486	0.5
119.04983	1.1
120.08069	0.7
121.06510	5.1
123.08113	0.5
124.65073	0.4
125.06010	1.1
129.06985	1.7
129.10191	0.8
133.06528	0.6
134.03714	0.6
137.05988	4.2
138.06467	0.5
141.07013	1.1
146.05962	0.5
147.04431	1.3
149.06009	7.7
151.07510	0.8
152.06248	1.5
153.06978	0.8
153.09056	2.9
154.07794	0.9
155.04942	0.5
157.06624	0.5
157.10129	1.1
159.08041	0.7
161.06041	0.5
164.07205	0.6
165.07127	0.7
167.05023	0.5
167.08542	4.5
168.05695	1.0
169.06523	1.3
169.10141	2.6
173.05980	3.2
177.05504	3.0
178.00974	0.5
179.08641	1.3
181.06551	1.2
181.08606	3.4
184.05209	1.2
185.06039	1.6
185.09637	1.6
186.06783	5.8
187.03931	3.5
187.07581	4.1
193.03181	1.0
195.08054	6.3
197.05972	2.2
197.09619	4.3
198.06801	1.4
199.07588	0.9
200.08366	0.7
201.05412	2.9
201.09033	0.8
205.06520	0.4
209.08086	20.0
212.04700	1.7
213.05531	1.6
213.09106	7.1
214.06274	1.4
215.07056	1.3
215.10686	11.8
219.06592	0.7
223.07603	1.8
225.09096	3.1
226.06348	0.8
241.06680	0.3
241.08606	22.7
243.10188	34.0
273.11130	0.7
287.05563	0.6
312.25613	0.6
330.26575	0.8
348.27594	0.5
375.10718	0.5
377.12448	4.3
423.51999	0.5
492.18777	0.8
492.31882	0.7
498.27826	0.5
510.19846	2.8
534.76874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60785	0.5
55.05494	1.0
56.05029	0.6
68.05028	1.0
69.03433	6.8
69.68806	1.6
69.69212	1.0
70.06596	8.2
72.08159	5.6
75.03795	0.5
78.36777	0.5
81.03419	0.6
81.07083	0.5
84.04507	2.5
84.08125	2.1
85.02900	0.6
85.20029	0.5
86.06071	17.7
86.09712	5.1
87.04475	49.3
91.05524	0.5
102.05551	1.0
104.07113	100.0
110.07187	1.1
113.12973	0.4
115.05537	0.8
115.08714	0.9
120.08105	2.0
129.07007	2.0
129.10231	0.6
130.04999	0.5
136.06151	0.7
136.07600	0.8
141.06996	1.4
142.07759	0.6
145.06500	0.7
152.06223	1.8
153.07016	1.0
154.07784	1.2
155.04919	0.6
157.10161	1.4
159.04488	1.3
165.06998	0.9
167.08560	5.5
168.05730	0.8
169.06493	1.6
169.10136	2.9
170.07280	0.6
171.07944	0.6
173.06017	3.5
179.08482	1.1
181.06499	1.7
184.05313	0.7
185.05983	1.0
185.09618	2.1
186.06775	6.0
187.03932	4.1
187.05478	0.5
187.05978	0.7
187.07486	4.5
187.11156	0.5
195.08066	6.9
197.05898	2.5
197.09671	4.6
198.06752	0.7
199.07542	1.3
200.08293	0.9
201.05510	3.7
201.09100	1.2
209.15506	0.6
212.04704	1.7
213.05534	2.0
213.09151	6.7
213.12407	2.1
214.06241	1.3
215.07104	1.6
215.10669	11.4
223.07549	1.8
225.09163	2.4
241.08609	22.7
243.10188	43.3
245.11449	0.8
245.19627	0.5
249.13583	0.7
250.99933	0.7
273.11380	0.8
276.95996	0.6
286.91962	0.5
310.91943	0.5
319.13773	0.7
336.16595	0.8
345.12009	0.7
351.17630	0.8
377.12234	4.2
379.17023	0.6
417.61768	0.6
510.20258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03441	0.5
66.47019	0.4
68.05019	0.7
69.03433	7.7
70.06593	3.9
70.75974	0.9
70.76327	1.0
72.08141	0.6
81.03446	0.6
83.57687	0.4
84.04520	0.8
84.08150	2.2
85.02917	0.6
86.06073	16.7
86.09724	1.0
87.04475	47.7
91.05485	1.1
104.07110	100.0
106.04174	0.5
107.04977	0.7
115.05409	0.5
119.04948	0.6
120.08142	0.7
121.06459	0.6
128.06227	0.5
129.07037	1.6
129.10275	1.1
131.04926	0.7
131.08525	0.6
136.07582	1.2
136.32472	0.5
137.06010	1.2
137.17178	0.5
138.82611	0.4
141.07024	1.8
145.06505	0.6
149.05974	0.9
152.06232	1.9
153.06979	1.0
154.07777	0.7
155.04938	0.7
157.06499	0.9
157.10168	1.1
159.04446	0.6
159.08133	0.7
161.06071	0.8
165.07050	0.9
167.04961	0.5
167.07153	1.1
167.08601	5.3
168.05676	0.8
169.06523	1.9
169.10167	2.9
170.07292	0.7
171.04512	0.9
173.06021	3.9
175.07634	0.7
177.07205	0.8
179.08652	1.1
180.05777	1.0
181.06487	3.3
183.04361	0.8
184.05261	0.8
185.05994	2.0
185.09549	2.3
186.06801	4.7
187.03900	4.2
187.07501	5.2
189.05475	0.6
195.08057	7.7
197.06021	3.6
197.07944	0.6
197.09605	4.9
198.06795	1.7
199.07645	1.6
200.08356	0.9
201.05476	3.9
201.09140	1.7
205.06606	0.6
205.08597	0.8
209.08124	1.6
210.06990	0.7
212.04808	1.0
213.05539	2.8
213.09129	6.1
213.12366	0.6
214.06187	1.2
215.07130	1.7
215.10677	10.3
223.07568	3.9
225.09117	3.8
226.06290	1.1
241.08607	29.8
243.10181	36.3
273.11166	1.0
371.15021	0.6
375.10342	0.5
377.12332	4.1
510.19626	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	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01874	2.5
55.05495	1.1
57.03441	2.0
61.02936	1.9
65.03959	3.9
67.05521	1.0
68.99803	1.3
69.03434	8.1
70.21097	3.4
71.04987	1.4
73.02916	2.8
81.03426	9.1
81.07041	1.6
83.22018	0.7
85.02912	21.7
87.00833	9.4
91.05486	100.0
93.07054	1.4
97.02900	15.4
98.20893	0.8
99.04450	5.5
103.03886	0.9
105.01888	5.6
105.07043	1.2
109.02887	6.5
115.05478	0.8
117.01861	1.9
119.08555	1.0
120.08177	0.9
127.03928	13.7
129.01889	1.2
131.65604	0.9
145.04991	8.8
147.02974	1.1
147.04419	1.2
149.02350	2.6
157.54005	0.8
159.02859	5.5
159.61234	0.8
167.03441	3.7
179.03441	2.6
191.03392	2.4
203.03510	1.4
213.74803	0.9
227.03325	0.9
231.05023	1.2
233.04465	1.9
239.07072	1.8
244.03668	1.1
245.04521	5.2
245.08156	1.1
248.53963	1.0
251.07095	2.4
257.04343	1.0
257.07568	0.7
259.08105	0.8
263.05618	1.8
269.08121	13.1
287.09122	1.1
293.08029	5.7
311.09155	6.7
317.08078	2.0
335.09183	13.0
353.10187	8.9
421.09286	1.3
439.10242	6.8
457.11444	2.3
510.23801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01870	2.1
57.03442	0.5
60.04528	2.4
60.71646	0.5
61.02918	0.4
65.03957	2.8
65.04230	0.5
67.05497	1.7
69.03423	1.2
70.06598	2.4
70.39392	0.4
71.39834	0.8
72.08150	0.7
75.04491	3.0
76.27016	0.4
77.03924	0.6
78.04708	2.3
79.05490	2.0
81.03431	0.9
81.07046	1.5
83.48478	0.5
84.08146	1.4
85.02914	3.4
86.06060	1.2
86.09699	1.7
87.04475	4.5
89.03925	1.2
89.06049	0.8
91.05486	13.2
93.03415	11.5
93.07057	4.6
95.04971	4.2
97.06545	2.6
99.04423	0.6
103.05470	5.2
104.07119	9.6
105.03443	0.6
105.04515	1.0
105.06992	1.0
106.04178	25.6
107.04962	1.6
107.08532	0.6
108.08160	0.5
109.06532	0.9
109.10133	0.7
110.03709	0.6
110.09686	0.8
117.03336	0.6
117.07048	0.8
118.04174	0.8
119.04942	4.1
120.08115	2.1
121.06509	24.7
121.10107	0.6
122.03599	0.6
122.07317	0.8
123.04407	0.9
123.08030	0.8
125.05999	7.0
129.10277	0.6
131.04930	1.2
134.03641	3.6
135.04346	0.8
136.07578	0.6
137.05992	7.5
138.06776	1.3
138.09111	0.7
139.07545	2.0
145.02823	1.2
146.06038	0.5
146.63852	0.6
147.04381	4.8
148.05180	1.6
149.00577	0.9
149.05991	38.7
151.03989	0.5
151.07574	2.3
151.34969	0.4
152.08318	0.8
153.05489	1.4
153.09111	10.1
161.00546	0.7
161.06029	0.7
161.09615	0.5
163.07562	1.8
165.05470	0.5
165.09120	0.8
166.06224	1.2
166.08638	0.8
167.07112	0.7
167.08498	0.8
177.05482	22.0
178.00844	0.8
179.07001	1.2
181.08607	18.2
181.10223	0.9
186.06866	0.6
186.79843	0.5
187.07587	0.8
191.07062	1.4
193.03209	7.4
195.08014	0.9
197.06047	0.7
201.05524	0.7
209.08102	100.0
210.08427	0.5
213.05482	0.6
215.10776	0.9
223.07710	0.6
225.09076	0.6
241.08562	4.7
243.10236	3.7
243.12469	0.7
282.08020	1.0
282.96515	0.5
300.09109	0.6
330.26291	1.6
339.12207	1.3
348.27432	0.8
373.79575	0.5
492.31827	1.4
510.27310	0.7
518.00696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54018	2.4
53.03943	4.2
55.01860	4.5
55.05515	31.8
57.03433	3.8
57.07076	17.2
67.05511	37.6
69.03443	4.9
69.07075	55.2
69.28928	5.7
69.29335	21.9
71.04977	6.4
71.08628	6.0
73.02904	3.3
79.05496	21.2
81.03407	10.1
81.06597	5.4
81.07062	100.0
81.76811	2.8
83.04990	4.3
83.08617	35.5
85.02887	12.8
85.06543	10.1
85.10148	3.3
91.05477	20.0
93.07068	28.0
95.04971	10.8
95.08611	87.6
97.02866	8.0
97.06551	7.4
97.10186	28.3
97.87936	2.4
99.00794	3.6
99.08096	7.0
105.07022	9.5
107.04954	6.3
107.08591	26.2
109.06519	12.7
109.10162	54.6
111.08121	5.0
111.11736	21.3
117.07052	3.6
119.04973	5.1
119.08601	10.6
120.08090	5.4
121.06528	7.0
121.10113	19.1
123.08062	3.1
123.11720	37.2
125.09635	7.4
125.13238	13.1
131.08582	7.6
133.10132	6.5
135.08087	6.2
135.11691	12.6
137.05898	2.8
137.13251	24.8
139.14865	5.0
143.08575	3.4
145.06493	4.0
145.10147	4.2
147.04445	14.8
147.11700	4.3
148.04791	4.9
149.09610	4.5
149.13254	26.9
151.14824	10.2
153.12755	3.9
155.08568	5.4
155.14359	7.1
163.11200	4.3
163.14810	7.8
165.16415	10.3
167.14362	19.4
169.15974	2.8
179.18034	6.8
189.11111	4.3
191.18008	4.0
193.12285	6.4
193.19489	3.2
211.13235	6.3
219.13783	5.9
227.12717	5.8
249.25760	5.0
267.15790	4.4
275.27286	11.2
293.28400	50.6
299.14993	2.8
306.45660	3.0
311.29544	7.0
367.22678	8.6
377.52536	2.8
385.23611	9.4
403.24777	3.1
419.31473	3.6
459.27335	11.0
477.28293	6.8
491.30655	2.9
509.20667	8.9
509.26657	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	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01880	1.8
55.05514	7.7
57.03436	2.1
57.07062	3.4
65.03930	2.2
67.05507	10.6
69.03416	2.1
69.07072	15.8
69.48954	2.1
69.49355	4.4
70.06583	0.9
71.04981	0.9
71.08620	1.6
73.16838	0.8
79.05492	8.3
81.03442	4.6
81.06594	1.7
81.07058	26.6
83.04971	2.0
83.08618	9.4
85.02910	7.1
85.06541	2.9
91.05477	17.3
92.05824	3.5
93.07045	8.1
95.04969	3.7
95.08612	22.9
97.02850	1.9
97.06537	3.0
97.10188	7.0
98.06894	1.0
98.18966	0.9
99.08082	3.3
105.07018	4.5
107.04948	2.4
107.08584	5.9
109.02859	0.9
109.06507	1.9
109.10153	16.7
111.08066	1.8
111.11742	5.5
115.24575	0.9
117.07005	1.1
119.04949	23.1
119.08577	3.1
120.05273	9.9
121.06524	2.1
121.10133	5.8
123.04436	1.0
123.11706	10.0
125.09634	2.0
125.13273	4.7
127.03901	2.1
129.07030	1.4
131.04851	1.0
131.08553	3.0
132.05676	1.1
133.06508	1.7
133.10141	3.6
135.08018	1.4
135.11699	3.3
137.05957	1.2
137.13268	6.8
143.14314	1.4
145.04985	1.1
145.06494	1.2
145.10120	2.6
147.04413	100.0
147.11693	1.8
148.04750	43.1
149.05984	0.9
149.13263	4.0
151.11218	1.0
151.14819	4.6
153.09117	1.2
155.08498	1.0
155.14304	1.6
157.10207	1.9
159.11655	1.2
161.06010	3.1
162.06398	1.6
163.06015	1.3
163.11244	1.1
163.14819	1.2
165.16400	2.9
167.06976	1.5
169.15903	1.8
173.13274	0.9
179.17902	2.1
180.07846	0.8
182.09424	0.8
183.17519	0.8
191.07068	1.5
191.17986	1.1
192.07753	2.0
193.08444	3.9
193.12263	1.9
194.08954	1.2
207.21075	1.5
209.08127	1.8
209.11720	1.4
210.08620	1.7
213.24135	0.9
219.13794	1.6
227.12744	1.5
239.98682	0.9
267.15891	1.6
275.27341	2.2
283.15546	1.0
293.28412	9.8
298.10992	1.9
299.11047	4.5
299.14572	1.9
311.29303	1.0
346.13470	1.3
362.15869	2.7
363.16513	4.6
367.22708	1.5
375.17120	1.9
385.23801	1.8
401.30322	1.1
419.30917	1.1
459.27280	2.6
477.28497	2.4
479.18869	2.4
491.26285	2.0
509.20563	5.5
509.26141	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
53.50384	1.4
55.01864	6.2
55.05519	16.7
56.44508	1.5
57.03427	5.3
57.07055	3.4
65.03944	1.8
67.05511	20.4
69.03427	4.4
69.07075	13.0
70.23755	1.5
71.04977	3.6
71.52657	1.3
79.05498	26.2
81.03435	7.4
81.07063	33.8
83.04966	6.5
83.08623	13.0
85.02900	5.6
85.06545	2.1
91.05485	18.6
93.07046	23.6
95.04972	20.8
95.08612	24.4
97.02887	2.8
97.06525	6.5
97.10164	10.8
99.08073	1.7
105.07054	9.3
107.04972	15.1
107.08610	16.3
109.06507	11.4
109.10167	15.3
111.08083	1.8
111.11725	2.7
117.07024	6.0
119.08597	8.4
121.06510	10.5
121.10157	12.1
123.08057	4.3
123.11724	6.9
125.09628	8.2
128.63792	1.5
129.06998	4.3
131.04915	1.5
131.08560	8.5
133.06459	3.0
133.10135	8.4
135.08102	6.9
135.11678	5.3
137.13245	2.5
139.11221	2.1
141.07005	2.6
142.07675	1.7
143.08583	3.3
145.02811	2.0
145.06461	6.6
145.10118	5.7
147.04433	1.6
147.08032	2.9
147.11696	3.5
149.09598	3.9
149.13232	3.7
151.14746	1.9
153.09097	2.1
155.08530	2.8
157.10107	1.5
159.08063	2.9
159.11665	1.9
161.09650	2.1
163.11206	6.3
163.14838	2.3
167.03101	1.5
167.10759	2.0
167.14339	2.1
171.11737	1.4
177.05499	2.6
177.12805	1.7
181.37128	1.4
185.09697	2.1
187.11235	2.3
189.11205	4.3
191.14320	2.5
193.12167	2.2
195.11595	1.6
199.13278	3.0
203.05266	2.6
205.12204	2.4
209.11722	1.8
211.13268	1.9
219.13783	6.9
223.13351	3.1
227.12730	4.4
233.15450	5.2
245.06407	7.3
261.18243	1.9
267.15793	1.7
273.14621	2.9
273.17215	3.6
275.16315	1.7
275.27588	2.2
287.03687	16.9
289.05319	100.0
293.17471	6.8
293.28506	5.6
331.20840	1.8
349.21649	4.9
367.22726	17.3
385.23779	19.1
403.24982	6.8
435.27328	1.6
441.26257	3.8
459.27466	23.8
465.24567	11.0
477.28494	14.6
491.22601	6.5
491.30121	6.8
509.23517	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	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.05513	12.9
57.02852	0.9
57.03186	1.0
57.03441	5.3
57.07074	3.7
65.03934	2.9
65.19853	1.1
67.05510	31.6
69.07075	14.8
71.08620	2.0
71.51968	1.2
74.33641	1.0
79.05500	9.6
80.69285	1.1
81.03442	1.2
81.07062	36.4
83.08625	6.4
85.06564	1.2
86.09696	1.5
91.05495	5.2
93.07056	10.7
95.08617	25.8
97.06554	1.5
97.10188	3.3
98.98473	30.0
104.10737	2.3
105.07031	3.5
107.08596	8.4
109.10162	10.8
111.08112	1.4
119.08588	4.0
121.10146	6.2
121.10931	1.1
123.11714	2.7
123.88872	1.2
133.10150	4.8
135.11699	3.7
137.13231	1.5
147.11725	3.1
149.13272	1.5
151.11171	1.2
155.01060	15.1
161.13300	1.4
173.02113	3.9
175.14825	1.5
183.43416	1.1
184.07375	3.0
229.04834	2.2
245.22713	2.7
247.05688	1.6
263.23737	5.3
313.27368	1.7
337.27380	100.0
394.71292	1.1
473.26831	6.8
481.76929	1.1
509.37033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.5
55.01868	12.9
55.05513	58.1
57.03427	18.6
57.07063	4.4
60.86276	5.6
65.03942	6.9
66.41671	4.8
67.05510	64.4
68.82523	4.7
69.03419	15.4
69.07064	24.8
69.82726	22.4
71.04982	18.3
73.02924	4.0
79.05499	82.3
81.03416	33.5
81.07051	68.6
83.04981	14.3
83.08628	26.6
85.02921	21.6
85.06552	7.9
87.00839	7.0
91.05487	50.2
93.07043	70.0
95.04971	73.1
95.08579	35.7
97.02895	10.0
97.06530	19.5
97.10178	45.3
99.04489	6.7
105.01900	6.1
105.07037	34.6
107.04968	51.0
107.08615	37.6
109.06514	58.5
109.10142	19.9
111.04425	6.6
111.06902	5.0
111.08071	11.0
114.63599	4.5
115.90913	5.2
117.07008	14.2
119.08598	32.3
121.06505	30.1
121.10151	35.5
123.08044	18.6
123.11685	7.4
124.88833	5.4
125.09637	33.3
127.03944	10.1
129.06993	20.6
131.04979	7.1
131.08592	24.1
133.06479	5.4
133.10146	14.4
135.08038	22.7
135.11655	7.4
137.09549	6.2
143.08569	11.8
145.06482	19.8
145.10150	22.1
147.08043	15.5
147.11711	9.8
149.09615	16.8
153.09125	7.4
153.12788	5.6
155.08566	7.6
157.10181	9.0
158.01740	4.2
159.08025	8.5
159.11714	16.8
161.05927	8.4
161.09576	5.4
163.07671	5.6
163.11195	17.1
165.09099	10.8
167.10696	9.3
171.08176	4.7
171.11679	7.2
173.13202	10.1
183.11736	7.6
185.09590	6.6
187.14845	6.2
189.11194	14.9
191.14346	8.0
193.12215	15.5
195.11765	6.0
199.11368	6.1
199.13272	20.0
199.14890	6.5
201.12846	6.9
213.12761	5.3
219.13835	24.1
223.13286	7.0
227.12747	18.4
233.15407	8.6
237.14949	5.1
243.21057	6.5
267.15860	13.6
273.14682	10.5
273.17203	10.9
275.16678	4.9
293.17609	27.4
339.23410	8.1
343.56827	4.9
349.21619	18.9
367.22723	77.5
375.17245	5.2
385.23709	73.7
403.24805	23.7
405.24380	6.6
438.66013	4.6
441.26181	16.1
459.27490	100.0
477.28461	55.6
491.30115	37.9
509.31281	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	509.2728
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
51.96404	0.3
55.05508	0.5
67.05508	0.7
69.07102	0.3
69.40244	2.4
72.08163	0.3
79.05497	0.6
81.07050	1.0
89.77488	0.3
91.05517	0.6
93.07063	0.5
95.08625	0.4
98.20798	0.6
105.07052	0.7
109.10176	0.5
119.08583	0.4
120.08116	0.9
131.08568	0.4
185.04207	0.4
234.03519	0.3
235.04854	0.4
336.71976	0.3
341.94302	0.3
378.13910	0.3
380.74393	0.3
453.77292	0.3
509.27267	100.0
510.27304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.4
55.01868	23.1
55.05511	33.3
57.03439	15.7
57.07076	8.6
61.02909	9.3
62.70674	2.8
67.05511	39.8
68.99799	5.7
69.03090	4.1
69.03433	62.2
69.07066	21.1
69.49075	8.0
69.49499	15.3
70.06605	3.8
71.05013	16.9
73.02907	12.1
73.70193	2.9
79.05499	38.8
81.03421	73.4
81.07066	54.3
82.13243	3.0
83.04962	8.1
83.08630	21.2
85.02908	100.0
85.06534	12.2
87.00836	45.8
91.05492	26.5
93.07050	45.1
95.04966	25.0
95.08597	42.3
97.02897	44.4
97.06520	13.0
97.10177	16.0
99.04471	25.7
99.08092	4.4
100.11245	4.6
102.84566	3.0
105.01863	31.7
105.07041	44.7
107.04952	17.9
107.08600	40.5
109.02891	66.1
109.06515	17.2
109.10160	26.1
111.04437	5.7
111.08103	3.8
113.09645	8.8
115.03973	5.8
117.01830	4.9
117.07025	15.2
119.08586	48.8
121.06502	13.9
121.10142	35.6
123.08094	7.4
123.11699	14.0
125.09645	7.4
127.03930	81.4
129.01854	7.6
129.06996	8.4
131.08554	30.8
133.10147	58.6
135.08031	12.5
135.11676	25.9
139.11188	5.3
142.07808	4.0
143.08569	6.7
144.09346	3.9
145.04945	31.9
145.06483	7.1
145.10124	36.5
147.02975	6.4
147.08051	5.3
147.11668	23.0
155.08577	7.5
156.13890	6.6
157.10117	14.1
158.10898	5.9
159.02888	31.9
159.08090	4.0
159.11711	29.4
161.09557	5.1
161.13266	14.3
163.11169	9.2
163.14830	3.5
169.10117	5.2
171.11722	9.9
172.12531	3.6
173.09668	4.3
173.13284	42.2
175.14818	14.8
175.80505	3.3
176.59027	3.4
177.12590	3.7
182.15363	6.4
184.13313	3.4
185.13235	6.3
187.14835	31.4
189.09135	3.4
189.11191	5.2
189.12816	3.6
189.16331	4.3
191.14418	3.8
193.12234	5.6
197.13144	4.3
199.13129	5.2
201.12744	3.7
201.16399	21.9
203.17975	10.0
205.15973	4.8
210.14880	6.6
211.13232	4.3
219.13783	6.3
227.12669	4.0
231.05037	16.3
233.15450	4.0
243.21060	47.7
259.20526	8.6
261.22086	27.6
267.15961	4.9
273.14661	4.1
273.22098	4.0
283.15524	2.9
285.22122	6.0
293.17465	5.4
303.22891	4.3
326.28299	4.0
349.21664	4.3
351.22952	3.3
357.63797	3.7
367.22742	14.7
375.17139	5.4
385.23676	17.2
403.24887	6.0
455.24368	3.4
459.27563	25.8
473.25076	6.6
477.28629	14.9
491.25558	3.5
509.27515	17.3
509.40332	12.0
522.68915	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01870	1.2
55.05505	3.0
57.03434	1.0
67.05512	5.9
69.03425	1.0
69.07063	3.0
70.06593	0.7
71.04987	4.0
71.53032	0.8
77.05197	0.7
77.79335	0.9
79.05477	4.4
81.03414	2.9
81.07061	8.4
83.04974	1.7
83.08620	1.9
85.02936	1.3
91.05471	2.9
93.07037	3.9
95.04951	1.3
95.08604	5.1
97.02921	1.0
97.06477	1.5
97.10116	1.0
105.07034	3.3
107.04948	1.0
107.08601	3.0
109.02883	0.8
109.06490	1.0
109.10177	4.0
111.04466	1.1
111.08022	0.9
117.07060	1.5
119.08590	2.2
121.06525	0.9
121.10138	2.2
122.35703	0.9
123.08112	0.7
123.11706	1.0
125.05933	0.8
131.08626	1.3
133.10129	1.7
135.08203	0.7
135.11671	1.7
137.05931	0.7
137.09616	1.1
143.01918	1.6
145.10127	2.7
146.97102	0.7
157.03381	0.7
163.11166	1.7
173.13094	0.8
177.09114	0.8
203.05290	2.7
227.05330	1.3
227.12791	3.1
228.23473	0.9
245.06364	7.4
266.54999	0.7
271.04190	1.1
283.15506	1.0
287.03726	8.4
289.05298	100.0
302.86301	0.8
375.17200	1.1
459.26852	0.8
465.24371	5.8
491.26495	1.0
492.74426	1.0
509.23505	78.5
510.23608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01861	2.2
55.05320	1.0
55.05515	11.1
57.03424	3.2
57.07071	2.5
65.03938	1.2
67.05509	20.0
69.03424	2.8
69.07075	13.4
70.88055	1.1
71.04988	2.7
71.08620	1.1
71.42010	1.5
78.46275	1.1
79.05497	17.3
81.03420	5.2
81.07058	28.9
83.04974	2.4
83.08629	8.4
85.02911	6.0
85.06548	3.3
89.52033	1.1
89.80376	1.0
91.05486	9.0
93.07049	14.3
95.04971	10.3
95.08064	2.1
95.08613	22.2
97.02892	2.2
97.06534	4.1
97.10185	8.5
99.04492	1.1
99.08095	1.3
105.07026	6.9
107.04964	7.9
107.08611	14.6
109.02886	1.1
109.06527	7.4
109.10163	17.2
111.04426	1.4
111.08112	1.8
111.11728	4.7
117.07009	4.2
119.08582	5.6
121.06509	4.5
121.10140	8.4
123.08059	2.9
123.11700	7.9
125.09640	6.5
125.13255	2.9
127.03921	1.5
129.06999	2.3
129.86014	1.1
131.08574	4.4
133.10129	3.8
135.08054	3.0
135.11676	4.2
137.13254	6.4
143.08560	2.2
145.06470	3.4
145.10155	3.0
147.08069	1.9
147.11667	2.7
149.09628	2.4
149.13219	4.7
151.14825	2.1
155.08516	1.4
155.14264	2.4
157.10126	2.4
159.08029	1.4
159.11668	1.4
161.09584	1.8
161.13275	1.1
163.11172	2.7
165.16380	1.7
167.10635	1.4
167.14316	2.7
171.11717	1.9
173.09608	1.6
173.13263	1.1
175.11137	1.6
177.05421	1.5
179.17809	1.9
189.11256	3.1
191.14275	1.5
193.12245	2.9
201.12822	1.5
203.05286	4.0
211.13354	1.8
215.14360	1.4
217.14430	1.2
219.13828	3.5
223.13219	2.3
227.12698	2.9
233.15352	2.9
237.14870	1.8
245.06424	6.9
261.18307	2.0
267.15952	2.0
273.17017	2.3
275.27283	2.4
287.03760	13.7
289.05313	87.8
293.17410	3.0
293.28381	8.5
311.29376	2.7
349.21704	3.1
367.22696	9.4
385.23874	9.7
403.24802	2.8
441.26254	1.7
459.27359	14.6
465.24628	12.6
477.28363	6.1
486.99759	1.2
491.22488	7.6
491.30026	3.8
509.23489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86361	0.4
55.05503	0.8
56.05006	0.5
56.12881	0.5
57.03423	1.0
60.08165	5.7
67.05521	2.4
68.81966	0.5
69.07080	0.9
69.16028	5.3
71.07369	2.3
72.08126	0.6
78.10197	0.6
79.05487	1.0
81.07043	1.6
82.07397	0.5
83.08607	0.8
86.09709	26.7
91.05469	0.6
93.07047	1.6
95.08612	1.3
97.06522	0.7
98.98474	3.8
104.10746	3.1
105.07037	0.8
107.08563	0.7
109.06439	0.5
109.10148	0.5
118.12364	0.4
119.08614	0.6
121.10149	0.5
125.00002	18.7
131.08418	0.4
135.88922	0.5
140.96266	0.5
184.07347	100.0
194.48555	0.5
263.63937	0.5
279.98236	0.5
336.26196	4.0
373.66708	0.5
448.83557	0.5
490.32614	1.2
508.33643	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01862	2.6
55.05514	12.4
57.03424	2.7
57.07064	2.5
60.79210	0.9
65.03928	1.0
65.49547	1.0
67.05185	1.1
67.05512	15.4
67.30663	0.8
69.03424	2.5
69.07073	14.2
71.04998	2.0
71.08606	1.3
71.37704	1.4
73.32103	0.9
79.05494	12.6
81.03411	5.0
81.06590	1.8
81.07061	28.6
83.04995	2.5
83.08633	10.0
85.02909	5.4
85.06548	2.2
86.10808	0.8
91.05478	12.7
93.07051	16.5
95.04967	9.7
95.08615	19.9
97.02891	1.1
97.06532	4.0
97.10165	8.6
99.08092	1.8
105.04563	1.1
105.07043	7.8
106.46469	0.9
107.04964	6.5
107.08591	11.1
109.06524	7.1
109.09480	1.2
109.10164	12.0
111.08073	2.4
111.11719	3.7
117.06989	3.4
119.08606	5.4
121.06522	5.0
121.10152	6.3
122.83389	0.9
123.08051	2.1
123.11697	7.0
125.09628	5.4
125.13287	3.2
127.03926	1.0
129.06989	2.1
131.04918	1.4
131.08568	5.7
133.06509	2.5
133.10121	3.9
135.04419	0.9
135.08066	3.0
135.11690	3.0
137.13268	5.0
139.11150	2.0
141.07016	1.0
143.08574	1.6
145.04993	1.4
145.06467	2.1
145.10144	3.9
147.08084	1.9
147.11725	1.8
149.13274	4.2
151.07523	1.1
151.11235	1.5
151.14803	3.2
153.09093	1.0
153.12706	1.1
155.08554	1.5
155.14359	1.0
157.10126	1.3
159.08051	1.1
161.09558	1.1
163.11189	1.8
163.14806	1.3
167.10655	1.3
167.14308	1.5
173.13275	1.8
185.09616	1.1
189.11243	2.7
193.12257	2.1
197.13383	1.2
199.13327	2.7
201.12619	1.3
203.05298	4.7
205.12292	1.0
209.11659	1.3
211.13332	2.2
215.14444	1.2
219.13852	2.7
223.13358	2.1
227.12799	1.4
233.15367	1.3
243.04828	1.4
245.06361	6.1
267.15851	2.2
271.04160	1.0
273.14777	2.3
273.17252	1.5
275.27393	2.9
287.03766	13.4
289.05316	89.0
293.17618	3.0
293.28348	5.9
311.29416	1.9
314.46487	1.0
323.88263	1.0
339.23254	1.4
349.21472	2.4
350.10608	1.2
367.22699	6.5
375.16980	1.9
385.23700	7.5
386.60883	1.0
403.25061	2.7
423.24796	1.3
441.26520	2.6
459.27408	12.1
465.24640	12.2
477.28372	7.0
491.22433	4.2
491.30139	3.8
509.23541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03946	3.3
55.01872	1.2
55.05511	0.6
57.03434	1.3
59.05008	0.7
60.23708	0.4
66.09381	0.4
67.05499	0.8
69.03432	8.4
69.07074	0.6
70.06593	1.2
70.95715	1.0
71.04988	1.2
72.08151	0.6
73.02901	0.9
78.03458	14.6
79.05470	0.9
80.05017	3.1
81.03424	18.2
81.07059	1.7
83.04996	1.8
85.02913	5.8
85.06583	0.5
86.09695	1.1
91.05481	3.3
91.95608	0.3
93.07058	4.8
95.04967	1.1
95.08607	1.8
95.13573	0.4
96.04491	2.4
97.02897	5.3
97.06569	0.5
99.04448	2.2
105.07042	1.9
106.02922	45.7
107.04945	2.5
107.08582	1.6
109.02888	8.2
109.05851	0.5
109.06511	3.5
109.10178	0.5
111.08114	0.5
115.05470	0.9
117.03402	0.4
117.07036	1.0
119.04977	0.6
119.08570	2.9
120.08082	0.4
121.06515	10.4
121.10141	1.3
123.08076	1.6
124.03960	100.0
125.09535	0.4
127.03933	3.8
129.10262	0.5
131.08609	0.8
133.06506	0.5
133.10144	1.1
135.08060	3.0
135.11743	0.8
136.07578	0.5
137.05992	4.0
137.09616	1.1
143.08443	0.4
144.09348	0.5
145.02873	0.9
145.06436	0.9
145.10103	2.0
147.08041	1.5
147.11725	0.6
149.05931	1.9
149.09618	1.2
149.13332	0.5
151.11182	1.1
153.09128	0.7
159.11682	1.6
160.08832	0.7
161.05923	0.5
161.09616	1.7
163.11198	3.8
165.09105	3.1
166.05019	0.5
167.07112	0.5
169.07658	0.3
171.04419	1.6
172.08875	1.0
175.07516	0.4
175.11176	6.1
175.56659	0.4
177.05510	1.0
177.12764	2.8
178.05026	0.5
179.10724	1.0
180.08830	0.4
187.11200	3.5
193.12233	5.0
196.06006	0.5
201.05545	0.6
203.07118	0.5
205.09073	0.4
205.12262	9.7
223.13316	4.1
232.05946	0.9
233.11758	0.6
250.07123	14.5
260.12961	0.5
268.08173	75.7
269.08484	0.4
277.08606	0.5
286.09195	5.5
309.11288	0.6
311.12531	0.6
392.17245	0.5
472.19485	1.1
490.20746	16.3
508.22723	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	508.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01866	0.2
55.05505	0.2
57.07092	0.2
65.03939	1.1
67.05496	0.3
68.91553	0.1
69.07072	0.3
69.74178	0.8
70.06591	0.3
71.01756	0.1
79.05486	0.5
81.03430	0.2
81.07056	0.4
83.08588	0.2
91.05483	12.1
93.03387	0.2
93.07043	0.6
95.04971	0.3
95.08618	0.3
97.06544	1.1
97.10166	0.2
98.06851	0.4
103.05460	0.4
105.07037	0.9
106.04160	0.3
107.04948	0.6
107.08559	0.2
109.02872	0.1
109.10161	0.3
111.79090	0.1
115.05462	0.3
119.04945	24.9
121.06499	1.0
121.10110	0.2
123.04427	0.2
123.08090	0.2
123.11736	0.2
130.07126	0.2
131.04910	0.6
131.08553	0.2
132.05717	0.7
133.02902	0.3
133.06508	0.9
135.04431	0.7
137.05937	0.3
145.10136	0.2
147.04414	100.0
148.04820	0.4
149.05994	0.7
152.07030	0.2
153.09120	0.2
154.06285	0.1
160.05173	0.5
161.05997	2.5
163.03903	0.1
163.07521	0.2
164.07133	0.7
165.05528	0.2
167.07056	1.7
173.06013	0.2
176.07097	0.6
177.05476	0.9
179.07057	0.6
180.07802	0.9
181.08636	0.6
182.09407	0.9
191.07007	1.4
191.08278	0.1
192.07831	2.2
193.08629	3.1
199.13185	0.1
204.06561	0.3
209.08084	2.1
210.08896	1.2
225.18626	0.2
251.00632	0.1
294.07849	0.2
295.09650	0.2
297.47037	0.1
298.10782	4.8
298.14133	0.3
300.12350	0.3
315.12418	0.4
324.12402	0.5
327.12360	0.4
332.14975	0.7
345.13364	1.4
362.15991	4.7
370.12967	0.2
373.16571	0.2
374.16910	1.1
478.18707	1.6
490.17966	0.2
490.28156	0.1
508.19809	5.1
527.68903	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01875	0.4
66.47092	0.4
70.06598	1.0
71.00311	0.9
74.56783	0.4
78.23067	0.3
79.05520	0.8
81.03420	4.6
84.04508	0.4
84.08156	0.7
86.09724	1.5
91.05488	3.5
93.07005	0.5
94.04168	1.9
103.05467	3.2
105.07057	1.4
105.74672	0.4
107.04965	25.7
109.06520	0.7
115.05477	4.1
116.04938	0.4
117.07029	1.9
118.04220	0.4
119.04980	3.2
120.08091	0.9
121.02927	0.8
121.06525	1.1
122.03667	4.7
123.04455	0.5
129.07048	0.5
131.04956	5.7
133.06485	1.4
134.06068	0.6
135.04378	0.5
135.29613	0.4
136.06122	0.4
136.07614	4.5
137.05992	100.0
139.05400	0.4
143.04944	2.8
144.04472	0.5
144.05664	0.7
145.06516	2.0
146.03587	0.6
146.06024	1.0
147.08095	0.7
149.05997	1.4
151.03937	2.0
151.07532	0.6
153.07001	0.9
155.06082	0.5
155.08611	1.0
157.06567	0.6
159.04562	0.4
160.05214	5.1
161.04871	0.5
161.06029	3.3
162.05557	2.4
163.07544	2.9
164.07042	0.6
165.07050	3.1
170.08122	0.5
171.04471	0.9
172.05159	0.4
173.05983	0.6
175.06052	0.8
175.07568	16.1
176.07018	0.9
177.05530	0.5
177.09085	0.8
183.08046	4.9
187.07602	5.1
188.07164	0.4
190.08640	0.8
192.06447	0.6
200.07043	0.5
201.05518	1.2
203.07039	1.4
205.08626	6.7
207.08018	0.6
211.07550	3.5
214.08670	0.8
219.08276	0.5
229.05092	0.4
230.08176	0.7
231.06458	0.6
232.09734	0.7
235.10858	0.4
237.09088	0.7
242.08203	1.5
243.10208	5.3
247.07683	0.6
251.10693	0.4
255.10307	0.6
259.09686	5.2
260.09125	2.6
263.10480	0.4
265.08505	0.5
270.11313	1.5
272.09338	1.0
277.08612	0.9
279.10077	1.2
281.11826	0.5
293.11343	0.5
297.11264	0.5
305.11737	0.5
309.11285	1.2
311.12759	2.4
324.12195	0.5
336.12372	4.1
337.10849	0.5
338.13882	2.7
348.12494	1.2
366.13431	13.0
460.17599	2.4
472.17398	1.8
490.18640	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	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01868	0.5
70.06593	1.6
70.49342	0.6
70.49670	1.0
81.03418	6.0
81.07059	0.6
91.05506	3.3
94.04194	1.6
95.05026	0.6
99.84113	0.4
103.05470	2.9
105.07010	0.6
107.04961	26.5
109.06524	0.9
115.05465	4.6
117.03371	1.0
117.07017	1.8
119.04981	2.8
121.02831	0.8
121.06492	1.4
122.03665	4.4
131.04933	4.4
133.06480	1.6
134.06029	0.9
136.07573	3.5
137.05983	100.0
138.06306	0.5
143.04915	2.0
144.04498	0.8
144.05734	0.6
145.02861	2.4
145.06505	2.7
146.03612	1.1
146.06006	0.8
147.07993	0.7
149.06018	1.6
151.03915	1.7
153.06975	0.7
155.06143	0.6
160.05215	4.6
161.06070	2.9
162.05519	2.3
163.07539	1.8
164.07074	0.6
165.06982	2.2
171.04408	1.1
173.06067	0.7
175.07545	14.1
176.07091	1.4
177.05466	3.6
177.09123	0.7
183.08049	3.8
187.07556	4.7
192.06531	1.0
201.05484	1.5
202.08586	0.9
203.07111	1.4
205.08629	6.6
205.10379	0.7
207.08078	0.7
211.07594	3.4
213.76015	0.5
230.08119	0.5
231.06505	0.9
235.07634	0.5
243.10176	5.4
244.09724	0.7
247.07510	0.5
250.19695	0.5
253.08701	0.6
259.09720	1.6
260.09149	3.5
265.08774	0.6
265.55881	0.4
270.11237	2.1
272.09238	1.1
277.08627	0.5
281.11786	0.7
304.09973	0.7
309.11322	0.8
311.12869	2.3
322.10916	0.7
336.12250	3.4
338.13870	2.2
348.12164	1.2
349.78613	0.4
355.11655	1.0
362.53769	0.4
366.13379	13.3
460.17731	2.1
472.17603	1.4
472.81180	0.4
490.18588	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09792	1.4
51.99272	1.5
53.03948	3.3
55.01872	2.6
55.05512	22.3
57.03426	6.4
57.06826	2.2
57.07081	21.5
57.79963	1.5
59.04988	2.6
65.03938	3.0
67.05510	100.0
68.05828	1.8
69.07068	15.6
71.04977	3.4
71.08636	14.0
71.52879	2.1
79.05497	31.2
81.03400	7.5
81.06603	3.9
81.07063	68.0
83.04960	2.4
83.08627	15.9
83.25203	1.7
85.06521	2.4
85.10176	7.7
91.05477	25.1
93.06487	2.6
93.07050	41.1
95.04980	2.7
95.08616	42.6
96.08880	1.6
97.06526	5.2
97.10182	12.4
99.08115	2.3
105.07036	14.9
107.08605	27.5
109.10159	50.2
111.08053	4.9
111.11720	1.8
117.07030	9.2
119.08576	15.6
121.06583	2.0
121.10148	18.1
123.11701	9.6
125.09624	6.4
129.07025	3.4
131.08575	12.9
133.10123	12.5
135.08096	2.1
135.11702	10.1
137.13268	5.3
139.11180	2.3
145.10143	8.0
147.11691	8.5
149.09669	2.5
149.13281	10.4
155.10634	2.0
157.10109	3.8
159.11713	10.2
161.13220	5.0
163.14838	2.9
163.77156	1.6
169.10081	2.0
173.11742	9.4
173.13301	6.4
177.12810	2.8
185.60892	1.6
187.14890	4.7
189.11240	3.2
193.12357	2.7
195.13835	3.6
227.12820	9.5
229.14354	27.4
239.23637	3.8
243.21071	3.9
259.20578	2.5
261.22180	17.7
291.23627	1.9
317.24716	2.8
335.25949	19.2
379.30063	3.0
397.31036	5.8
415.32059	5.8
423.45694	1.7
433.33075	3.6
471.34543	3.2
489.35767	38.4
507.39902	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	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64680	0.6
51.02389	0.5
53.03935	1.7
54.61406	0.5
55.01875	0.8
55.05272	0.8
55.05515	11.4
57.03422	2.4
57.07081	31.1
60.87121	0.5
62.95953	0.5
65.03945	1.4
67.05510	38.8
69.07074	16.3
70.75823	0.5
70.76165	1.2
71.04990	1.7
71.08636	24.4
79.05497	21.4
79.05965	0.8
81.03407	1.5
81.07062	49.9
83.04992	6.1
83.08160	0.9
83.08627	15.1
85.06537	2.3
85.10187	12.2
91.05486	14.3
91.76364	0.6
93.07050	27.5
95.04990	3.7
95.08614	31.2
97.06530	4.9
97.10176	5.2
97.73566	0.5
99.08123	1.0
99.11752	1.1
105.04498	0.9
105.07046	5.3
107.08609	12.4
109.06512	1.9
109.09479	0.9
109.10167	10.1
111.08117	2.8
111.11703	1.3
117.07014	5.3
119.08591	1.1
121.06499	0.8
121.10166	7.5
123.11732	4.5
125.13224	0.7
131.08580	5.1
133.10130	6.2
134.30493	0.6
135.08049	1.4
135.11713	4.2
137.13257	1.8
144.09323	0.7
147.11708	1.0
149.13272	13.7
151.14862	1.0
159.11703	7.6
165.16443	0.7
177.12735	3.4
195.13841	10.1
213.14871	1.0
221.22726	0.7
233.15396	1.2
239.23715	9.5
251.16512	1.6
298.34290	0.6
313.93170	0.6
348.63864	0.7
424.84677	0.6
507.40485	100.0
508.40652	1.0
531.36267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16227	1.0
53.03936	2.9
55.05517	12.3
57.03439	8.1
57.07068	3.2
65.03933	2.5
67.05510	45.9
69.06800	1.1
69.07076	13.1
69.76547	1.2
69.79223	4.0
69.79628	2.4
71.08648	1.2
72.08113	1.2
79.05495	29.4
81.07059	37.1
83.04979	2.9
83.08633	5.8
85.06544	1.4
86.09692	2.6
91.05482	14.7
93.07048	31.3
93.07635	1.6
95.04948	2.3
95.08611	35.4
97.06543	2.2
97.10164	1.7
98.98470	47.0
104.10758	7.5
105.06519	1.3
105.07049	13.9
107.08604	18.9
109.06525	2.3
109.10178	12.9
117.07007	2.9
119.08591	12.0
121.10146	13.8
123.11707	4.0
124.99971	1.8
131.08591	7.6
133.10141	9.2
135.11710	8.2
145.10098	5.0
147.11684	6.4
149.13322	5.9
155.01057	19.0
157.10175	1.3
159.11719	4.6
161.13251	3.8
163.14804	2.6
173.02142	5.1
173.13269	3.1
175.14842	2.4
184.07350	7.5
187.14740	1.6
229.04791	2.0
243.21085	6.0
247.05757	3.8
261.22128	12.0
309.33502	1.1
317.24637	4.8
327.27444	1.2
335.25821	100.0
336.26016	1.5
471.25037	5.8
507.34711	1.6
508.33661	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	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01867	1.6
55.05271	0.6
55.05513	13.3
57.03447	1.8
57.07079	4.7
60.25750	0.8
65.03973	1.0
67.05509	25.5
69.03434	3.0
69.07072	25.7
69.60870	4.9
70.06595	1.2
71.05003	2.0
71.08647	1.9
72.08162	1.6
73.06568	1.0
79.05495	12.5
81.03426	2.6
81.07061	100.0
83.08621	12.4
85.02911	6.2
85.06544	7.0
86.09718	1.3
91.05482	6.2
93.07056	21.4
95.04975	2.2
95.08613	77.0
97.02892	1.8
97.06528	6.5
97.10177	9.7
99.08105	6.4
105.04535	0.7
105.07036	6.6
107.08597	27.0
107.09308	1.3
109.02852	0.9
109.06490	1.2
109.10162	53.0
110.10528	0.9
111.08095	4.8
111.11716	7.3
113.09645	1.7
114.01115	0.7
119.04964	1.3
119.08606	3.2
120.08136	1.5
121.10153	16.9
122.51223	0.9
123.08079	1.1
123.11712	37.0
125.09669	2.8
125.13292	1.2
127.03947	1.6
127.11209	2.6
131.08585	1.7
133.10187	2.5
135.11700	16.9
137.05986	1.3
137.13266	13.3
139.11227	2.2
141.12772	1.7
143.08594	0.9
147.04436	2.3
147.11725	4.3
149.13263	23.4
149.14374	1.5
151.11217	1.0
151.14822	12.1
153.12755	5.8
155.14380	1.3
157.10184	1.5
159.11720	1.0
161.13318	3.2
163.13466	1.4
163.14830	25.9
165.12741	0.9
165.16464	2.3
167.14392	2.8
167.94392	0.9
171.13904	1.7
175.14893	1.4
177.16417	9.4
179.17967	1.5
181.15938	1.9
187.13312	1.4
189.16467	2.3
191.17960	5.1
193.19569	1.2
203.17989	4.0
205.19650	1.8
209.19113	1.2
217.19534	5.8
221.19031	1.2
223.20732	0.9
235.20712	2.3
245.06438	1.2
247.24261	1.4
253.25339	0.8
259.16776	1.0
261.25861	1.5
273.25803	9.3
279.26837	3.8
289.05466	3.0
291.26831	29.5
308.84610	0.8
309.27930	12.7
315.05060	0.8
327.29034	1.5
330.07498	2.3
345.09686	9.7
373.16672	3.4
399.29065	1.1
417.30420	1.0
421.22028	1.5
463.23190	3.9
475.17218	2.1
507.22107	28.3
507.34540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.1
54.00692	1.0
55.01875	1.6
55.05515	10.7
56.05037	1.5
57.03431	4.3
57.07080	7.1
60.08168	16.7
61.02912	4.1
65.03951	1.3
67.05508	46.6
69.07070	14.4
70.67593	2.6
71.07362	6.1
71.08630	2.1
72.56732	1.2
73.02930	1.9
79.05501	11.8
81.07063	52.8
83.08629	7.1
85.02899	5.7
85.06538	3.2
85.10181	2.6
86.09710	48.0
91.03965	1.3
91.05489	13.6
93.06574	1.4
93.07056	17.6
95.08617	43.6
97.02921	1.4
97.06504	5.0
97.10155	4.4
98.98457	2.9
99.08103	4.4
104.10751	100.0
105.07035	9.0
106.07317	1.3
107.08603	6.6
109.06516	1.4
109.10164	18.4
111.08044	2.3
111.11729	1.5
113.09665	3.3
119.08591	9.0
120.08101	1.6
121.10160	11.6
123.11700	11.3
125.00014	31.9
125.09644	1.7
127.11195	5.1
131.08563	1.9
133.10147	14.9
135.11699	13.0
137.09612	2.1
137.13278	12.6
139.11186	1.4
145.10049	1.3
147.11725	9.7
149.13251	2.9
151.14847	9.0
153.12727	1.6
160.23164	1.2
161.13286	10.2
175.14801	4.4
184.07352	93.6
194.31502	1.2
217.19525	47.7
229.14320	1.6
230.14609	2.6
235.20595	60.5
309.24216	27.0
327.25232	5.7
334.24344	2.2
471.29315	2.7
488.31326	8.5
506.32431	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.1
53.03958	17.8
55.01873	12.6
55.05511	17.4
57.03442	8.7
57.07075	3.7
59.14520	2.6
65.03951	26.5
67.05184	4.3
67.05514	64.1
68.05830	3.4
68.99773	3.3
69.03427	34.1
69.07076	24.9
71.04999	7.6
71.52607	4.6
79.05499	100.0
81.03421	51.7
81.07063	48.5
83.04984	7.6
83.08614	10.8
84.08146	9.2
85.02921	27.1
85.06555	6.4
87.00829	9.1
91.05490	45.8
93.03411	44.0
93.07050	34.1
95.01373	2.8
95.04993	24.4
95.08613	56.4
95.87695	3.0
97.02898	12.7
97.06522	8.5
97.10176	7.2
99.04466	11.6
99.08105	3.9
103.03918	2.8
103.05444	3.6
105.01911	5.5
105.04521	6.7
105.07047	27.5
107.04961	61.2
107.08601	19.2
109.02889	54.9
109.06528	10.3
109.10160	19.4
111.04453	6.1
115.05412	5.4
117.07044	17.6
117.43402	2.8
119.04964	3.3
119.08596	22.6
121.06522	9.4
121.10166	12.5
123.08062	3.0
127.03929	29.0
128.06203	6.2
128.09259	3.0
129.01810	3.3
129.07045	19.4
131.04842	3.3
131.08614	18.4
133.06487	7.0
133.10143	16.7
135.04430	14.4
135.08080	6.9
135.11728	6.8
141.06953	3.4
143.08571	16.0
145.02893	6.6
145.04971	5.1
145.06528	6.4
145.10178	15.8
147.08075	17.4
147.11697	10.0
149.09642	3.7
149.13283	6.8
152.50053	2.8
155.08543	5.4
157.10136	9.7
159.02937	3.8
159.08072	5.9
159.11734	8.6
161.13269	7.2
163.03928	68.3
167.08643	3.2
169.10110	5.3
171.08047	4.0
171.11761	8.0
175.14728	4.2
181.04973	6.0
185.09906	2.7
199.14932	3.1
215.06845	2.8
217.19540	3.5
241.19551	3.7
259.20605	37.1
277.21661	96.0
283.15485	3.6
301.21606	9.0
305.21024	7.0
309.24066	3.6
313.21774	3.7
327.25369	13.2
343.23065	3.5
349.21686	4.3
367.22922	7.0
385.23611	3.9
489.24869	9.3
507.25473	23.4
508.42719	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	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01865	1.1
55.05508	1.3
57.03431	0.7
57.07073	1.9
61.02932	0.7
67.01844	0.6
67.05507	5.9
69.03432	4.0
69.07075	4.9
69.28268	0.6
69.28670	3.2
71.04995	1.4
79.05496	10.0
81.03429	7.7
81.07062	100.0
83.04992	0.9
83.07190	0.5
83.08630	0.5
85.02898	3.6
85.06536	1.0
87.00846	2.3
91.05479	1.5
93.07068	2.4
95.04971	2.0
95.08612	19.9
97.02901	11.2
97.06536	15.8
97.07161	0.9
99.04475	3.5
99.08105	1.0
103.39940	0.5
105.01861	3.7
105.07035	0.7
107.08608	1.6
109.02885	8.3
109.10139	2.9
111.04364	0.5
113.09641	1.0
121.10149	1.1
123.11747	1.4
127.03923	24.8
129.07095	0.5
131.08551	0.5
133.10168	0.5
135.11700	1.3
137.13263	20.3
145.04982	1.4
147.04503	0.7
149.13295	1.6
154.15997	0.5
155.08560	0.5
161.06001	0.7
163.03972	1.1
163.15015	0.5
185.06105	0.4
187.07602	0.7
189.05550	0.5
189.07396	0.4
189.09198	0.6
195.08160	0.7
199.07597	0.8
203.07161	0.5
205.19620	0.8
209.09621	0.7
211.07599	0.8
213.03940	3.9
213.05557	0.4
213.09206	1.2
215.07037	0.6
223.20663	1.8
231.05003	5.2
231.10143	0.9
241.08627	2.0
241.12328	0.6
249.06183	0.6
259.09708	1.3
283.13324	0.9
285.14853	0.7
299.04105	0.8
309.14886	1.2
311.12817	3.1
311.16116	0.8
313.14374	1.2
317.05081	3.1
327.15881	2.1
335.06003	2.1
337.14468	1.4
355.15439	8.3
373.16501	1.9
398.56387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01865	0.8
55.05502	3.2
57.03419	0.9
57.07075	0.9
65.61576	0.6
67.05505	4.6
69.03420	2.9
69.07071	4.1
71.04994	0.8
71.52588	0.8
73.02919	1.1
79.05502	5.5
81.03404	2.9
81.07061	15.0
83.08632	1.6
85.02911	11.0
87.00829	3.9
87.04461	0.9
91.05466	2.8
93.06486	1.3
93.07050	17.1
93.07629	1.0
95.04959	1.0
95.08607	13.9
97.02886	7.2
97.06535	13.2
97.10168	1.6
99.04451	1.3
105.01855	6.7
105.07029	1.5
107.08605	15.2
107.42837	0.6
108.04439	0.8
109.02888	2.8
109.06534	1.0
109.10160	12.4
112.77491	0.7
119.08611	0.9
121.10149	8.3
123.11713	48.1
127.03931	9.5
135.11702	23.5
138.44159	0.9
145.04977	6.5
145.10208	0.9
147.04355	1.2
149.13266	90.0
159.02913	2.2
163.14821	1.6
189.09181	1.0
205.19528	100.0
213.09209	0.8
223.20641	2.7
231.05028	5.1
241.08513	1.1
248.07669	1.1
249.06032	5.8
266.08670	1.0
281.58810	0.8
284.09790	9.5
309.15021	1.3
311.12775	2.1
313.14450	1.2
327.15759	1.4
337.14328	1.9
355.15472	4.4
373.16528	3.7
379.65302	0.8
398.41333	0.8
507.18314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05862	1.0
69.03410	1.0
69.80836	4.1
69.81243	2.0
70.06580	1.0
72.08164	1.5
73.47308	0.9
84.08152	1.7
85.02879	2.6
86.09715	2.8
90.04665	1.1
91.05487	7.7
98.21456	1.3
103.05464	4.3
104.06269	1.7
104.07099	1.4
105.07048	1.5
115.05466	1.4
116.98602	1.2
118.04176	1.5
119.04975	5.1
121.06513	1.6
122.32000	1.0
128.33392	1.1
129.83414	1.0
130.73808	1.0
131.04951	15.6
132.05727	24.7
133.02824	5.6
133.06505	2.9
136.49750	1.2
137.05998	8.0
147.04416	1.5
148.05159	1.1
149.06015	4.6
150.06798	1.2
151.07544	2.6
160.05214	11.1
161.05978	4.6
163.07550	1.2
165.05492	23.6
166.06262	9.2
167.07030	3.9
177.05524	10.4
178.06255	10.7
179.07053	15.0
180.07829	98.1
181.08627	19.7
191.07063	18.4
192.07835	100.0
192.65411	1.2
193.08612	15.2
197.08163	1.6
207.06442	1.6
211.09714	1.7
219.06889	1.4
242.97665	1.2
271.74921	1.2
291.08588	1.3
307.08221	1.4
355.10269	45.4
367.10330	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	506.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11636	0.7
55.01868	3.0
55.05515	1.9
56.47926	0.7
57.03442	1.4
59.21339	0.8
67.05504	6.6
69.03430	2.6
69.07073	9.1
69.71972	2.2
69.72387	1.7
71.01362	1.7
79.05503	12.0
81.03426	1.4
81.07062	4.0
83.04982	1.8
85.02900	1.4
89.02389	0.9
91.05482	2.8
93.07071	1.4
95.04982	9.8
95.08625	1.0
97.02837	0.9
97.06537	100.0
98.21464	1.4
103.05415	0.9
105.07040	1.1
107.08561	0.9
109.02865	0.8
110.96854	0.8
116.10734	2.4
121.09293	0.7
121.10120	1.4
123.04438	1.0
138.05547	1.1
141.07027	1.5
143.08575	1.6
150.32193	0.8
153.06987	0.7
155.08580	1.7
155.31804	0.8
157.06474	1.4
157.10126	0.9
160.05237	1.1
161.06020	5.5
163.03912	4.2
165.07042	1.2
167.08513	4.0
169.06491	1.9
170.07208	1.0
173.05981	1.3
174.06770	2.3
175.07591	2.9
177.05551	0.9
179.08652	1.1
181.06497	1.3
183.08118	1.6
185.05994	1.3
185.09653	2.7
187.03906	1.0
187.07506	4.0
189.05496	1.7
189.09094	6.0
195.08075	5.3
197.05974	1.3
198.06798	0.8
199.07558	6.0
199.11293	1.1
201.05562	1.1
201.09154	2.5
203.07137	1.7
203.10721	2.1
209.09666	1.8
211.07610	2.9
211.11246	1.0
212.08344	1.2
213.05476	2.0
213.09108	7.5
214.06219	0.8
215.07050	5.8
215.10672	2.4
217.08661	1.6
223.07573	2.3
225.09097	1.4
227.10660	1.2
229.08676	1.1
231.10245	3.0
237.09129	1.5
239.07103	1.3
241.08615	9.4
241.12233	3.5
255.10312	1.6
257.08203	0.9
257.11670	2.2
259.09671	11.9
265.12314	2.4
267.13846	2.4
269.08130	1.7
271.13254	1.3
283.13229	4.3
285.11340	1.9
285.14966	4.2
293.11670	1.6
297.11426	0.8
297.14719	1.5
299.12863	5.0
299.16507	3.5
303.08704	1.8
309.14813	6.4
311.12842	21.5
311.16367	2.1
313.14331	7.9
326.11526	0.8
327.15915	11.4
337.14398	6.7
344.24365	2.9
355.15417	55.5
356.15790	0.9
373.16525	2.7
383.57663	0.8
453.15540	1.2
471.16730	3.7
489.17642	4.9
506.29065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
51.99801	0.3
53.03952	2.4
55.01876	3.4
55.05514	30.8
57.03441	1.9
57.07082	11.8
65.03954	1.8
67.05508	31.6
67.49500	0.3
67.75008	0.3
69.03442	0.5
69.07072	35.8
71.04997	1.9
71.08640	6.4
71.17279	0.7
73.05688	0.3
75.42502	0.3
77.27230	0.4
79.05498	20.3
81.03429	2.4
81.07060	42.1
81.72087	0.3
83.04984	5.0
83.08624	30.4
84.10255	0.3
84.50977	0.3
85.06541	1.7
85.10189	3.1
91.04904	0.6
91.05486	13.5
93.07050	26.9
95.04971	3.0
95.08612	12.0
97.06537	4.7
97.10175	19.6
99.08077	1.0
105.04527	1.1
105.07040	5.1
107.05031	0.4
107.07878	0.7
107.08603	13.6
109.06530	1.1
109.10175	2.3
111.08099	3.5
111.11726	6.1
115.05463	0.5
117.07025	4.6
119.08581	1.2
121.06524	1.1
121.10152	8.2
123.08079	0.3
123.11695	1.5
125.09617	0.5
125.13273	1.9
127.07545	0.3
129.07086	0.4
131.08572	4.9
133.10135	5.9
135.08055	0.8
135.11696	5.6
137.13225	0.7
139.11180	0.7
147.11700	0.8
149.09651	0.4
149.13269	12.1
151.11224	0.5
159.11693	6.2
167.14368	0.5
177.12747	2.7
195.13823	10.0
213.14857	1.5
214.01294	0.3
214.03363	0.3
215.42784	0.3
219.21037	0.5
233.15327	0.6
237.22147	8.0
251.16481	0.9
269.17270	0.3
311.25867	0.9
398.23923	0.3
467.51666	0.3
505.38913	100.0
506.39008	1.2
510.00961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73383	1.9
53.03947	3.4
55.05510	11.3
57.03434	3.0
57.07065	4.1
67.05506	27.4
69.03434	4.1
69.07070	20.1
69.28331	23.6
70.06579	2.6
71.04987	3.8
75.27383	2.6
79.05482	15.7
81.07063	67.4
82.62461	2.3
83.05006	15.3
83.08639	8.3
83.41320	2.5
84.08080	2.7
85.02899	9.7
85.06541	5.5
87.00870	3.7
91.05482	22.8
93.07053	29.0
95.04956	7.2
95.08614	69.1
97.02882	3.1
97.06539	5.0
97.10198	3.3
98.20779	3.7
103.05510	3.1
105.01883	3.9
105.06329	3.4
105.07035	64.3
107.08608	41.8
109.02887	2.7
109.06567	6.1
109.10156	38.8
111.08058	7.8
117.07019	14.4
119.08592	62.4
120.08915	5.0
121.06520	5.0
121.10149	31.3
123.08089	4.0
123.11715	36.8
125.09612	4.4
129.07016	5.4
129.14745	2.8
131.08572	34.2
133.10126	31.8
134.10446	2.4
135.08078	3.2
135.11728	16.4
137.05959	4.9
137.09622	4.7
137.13269	7.6
139.11163	3.1
143.08577	14.0
144.09348	3.6
145.09050	2.5
145.10130	66.9
146.10693	3.0
147.11696	38.2
148.12013	3.6
149.09552	4.7
149.13248	15.4
152.44734	2.7
157.10132	17.6
159.11702	44.8
161.09612	4.1
161.13251	25.9
163.07564	3.2
163.11182	3.8
163.14812	12.5
165.12787	3.8
169.10115	3.1
170.10957	3.1
171.11711	9.2
172.12431	4.3
173.13269	31.2
175.14828	36.2
177.12717	4.0
177.16414	27.2
179.14305	6.2
183.11748	4.7
185.13280	27.7
187.14821	65.1
189.12781	3.7
189.16418	25.6
191.14334	10.7
191.17923	3.0
193.15900	6.1
197.13341	4.4
199.14832	19.4
201.16389	30.5
203.14381	29.1
203.17949	29.3
204.18306	34.2
205.15897	100.0
207.17468	3.1
211.14824	4.0
213.16396	7.9
215.14406	3.1
217.15842	8.8
219.17493	20.6
221.15343	15.1
221.19106	3.1
227.18030	3.5
231.17426	3.3
232.11795	4.4
233.15468	3.1
233.19046	3.8
238.65503	3.0
239.97232	2.6
247.16875	5.5
253.96593	2.5
289.25183	7.4
307.26419	17.9
329.13516	3.7
360.87030	3.2
375.30453	4.6
387.30356	3.3
393.31540	11.7
405.31500	23.4
407.33197	3.7
411.32895	4.5
421.31039	4.4
423.32672	25.1
433.30765	6.3
439.31833	5.9
441.33554	6.0
451.32062	42.9
459.34451	4.6
469.33051	9.8
487.33966	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	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01874	2.2
55.05515	14.4
57.03429	1.4
57.07078	27.1
65.03932	1.3
67.05509	23.0
69.03427	1.1
69.07071	16.1
71.04995	1.3
71.08237	0.9
71.08635	17.9
79.05500	13.1
81.03423	48.3
81.07059	25.4
83.04991	2.6
83.08623	22.1
85.06538	1.5
85.10189	9.1
91.05484	13.9
93.07050	12.7
95.04976	13.0
95.08612	19.3
97.02895	1.0
97.06538	2.8
97.10178	8.5
98.20794	1.0
99.08092	0.7
99.11729	0.6
105.06395	0.8
105.07034	8.3
107.04940	2.9
107.08605	5.6
108.62489	0.4
109.06533	1.5
109.10159	6.9
111.04458	0.7
111.08073	4.4
111.11727	2.2
115.05452	1.0
117.07048	2.0
119.04941	0.6
119.08589	6.1
119.33703	0.5
121.06520	1.8
121.10146	5.0
123.08093	0.6
123.11703	3.2
125.13290	1.3
128.06171	0.7
129.07024	4.8
131.08562	5.4
133.06490	1.7
133.10138	3.3
135.08075	0.4
135.11716	2.4
137.09647	0.9
137.13260	1.3
142.07791	1.8
145.10104	0.8
147.08084	1.8
147.11687	3.5
149.09642	2.0
149.13245	3.7
151.14792	0.5
157.10103	4.1
159.11781	1.6
165.12779	1.1
165.16393	0.5
175.11191	4.8
177.12769	1.0
193.12263	17.6
195.13800	2.0
202.94977	0.5
203.14360	0.4
205.12279	0.4
213.12842	0.7
221.22667	0.9
237.22093	3.7
239.23669	5.4
249.14856	4.6
312.96240	0.4
313.27335	0.5
470.54532	0.5
505.38913	100.0
506.39359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13308	0.6
53.03948	4.3
55.01872	1.5
55.05270	1.2
55.05515	14.7
57.03434	2.0
57.07079	34.8
60.18721	0.6
65.03937	1.4
67.05507	23.0
69.03430	1.3
69.07071	14.8
71.05001	1.1
71.08239	1.1
71.08636	22.0
71.70407	0.6
78.66355	0.6
79.05492	13.4
79.05917	1.0
81.03423	67.1
81.07057	24.9
83.04994	2.3
83.08624	23.4
84.98399	0.6
85.06568	1.2
85.10192	11.2
91.05482	13.8
93.07045	8.2
95.04980	17.8
95.08615	22.0
97.02913	1.7
97.06534	1.8
97.10165	7.9
99.11745	1.0
105.07037	13.3
107.04954	4.0
107.08619	3.7
109.06519	1.9
109.10164	12.9
111.04432	0.8
111.08090	3.5
111.11729	1.4
115.05463	0.7
116.48911	0.7
117.07029	1.7
119.08583	8.1
121.06514	2.0
121.10160	4.7
121.10907	0.6
121.67274	0.6
123.08060	1.0
123.11713	4.7
125.09638	1.2
125.13271	0.7
129.07010	6.7
131.08565	5.0
133.06479	3.2
133.10139	2.2
137.09662	1.5
137.13297	2.0
139.14793	0.6
142.07825	1.7
145.10181	0.9
147.08060	1.9
147.11699	3.8
149.09654	2.3
149.13181	1.4
157.10144	6.3
165.12770	1.2
175.11176	6.2
189.11278	0.6
193.12247	24.4
195.09953	9.1
229.14523	0.9
237.22307	0.7
239.23697	6.9
249.14911	5.2
251.12549	3.0
289.76270	0.7
311.25671	1.9
392.24994	0.7
407.21118	0.7
505.34848	100.0
505.39383	45.9
506.35300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00558	1.1
53.03957	3.0
55.01875	2.2
55.05516	13.1
55.71157	1.1
56.76101	1.2
57.03434	4.2
57.07071	4.4
61.02946	6.2
65.03929	2.0
67.05510	47.7
69.03439	3.6
69.07071	9.5
69.34329	10.3
71.04999	4.8
73.02923	1.9
79.05498	54.3
81.03406	2.3
81.07061	60.6
83.04992	2.6
83.08606	7.6
85.02897	10.6
85.06541	8.6
91.03970	4.0
91.05477	25.2
93.07050	62.7
95.04984	4.2
95.08614	39.8
97.02928	5.8
97.06532	5.7
97.10162	2.8
98.21548	2.9
99.08092	7.4
105.07030	19.9
107.08602	37.0
109.06490	1.4
109.10157	26.3
111.08089	3.0
113.09644	3.1
117.07017	13.6
119.08602	15.3
121.10149	47.9
123.08058	2.9
123.11709	16.0
125.09637	2.7
125.69990	1.2
127.03889	2.7
127.49371	1.2
130.38837	1.2
131.08566	27.5
133.10133	24.0
135.08020	1.2
135.11702	54.5
137.09633	4.2
137.13272	4.1
145.04942	2.2
145.10130	22.6
147.11693	17.6
149.09669	3.7
149.12083	1.5
149.13271	29.0
151.11198	4.3
157.10161	1.3
159.11699	25.1
161.13225	5.8
163.06062	1.9
163.11201	3.4
165.12685	2.1
173.13268	17.9
175.14882	3.2
177.12729	2.5
187.14857	5.3
189.16371	1.9
191.18027	2.5
205.15863	3.1
205.19580	9.3
215.17966	86.9
216.18217	1.3
233.19016	100.0
235.20657	1.7
251.20116	2.7
307.22632	12.1
325.23737	31.3
351.24786	1.4
377.23422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26772	0.7
53.03935	1.2
55.05513	4.8
57.03428	0.7
61.02907	1.0
62.06083	1.5
67.05489	2.8
68.88148	0.7
69.03428	4.0
69.07054	2.0
69.43295	3.6
69.43703	1.6
70.06583	1.6
71.04977	0.8
71.08632	7.4
71.20017	0.6
72.08144	1.4
74.67800	0.7
77.86132	0.6
79.05479	2.6
81.03392	2.6
81.07054	6.0
83.04993	4.1
83.08582	1.0
84.08129	1.5
85.02916	8.7
86.06068	17.5
86.09694	1.2
87.00818	2.1
87.04460	0.9
91.05483	3.6
93.07050	5.9
95.08609	6.7
96.08131	5.0
97.02903	4.2
97.06551	1.2
98.09704	9.1
99.04459	1.1
99.08105	6.0
101.06016	3.2
105.01879	5.6
105.07027	9.1
107.08611	4.5
108.08096	1.2
108.78550	0.7
109.02877	2.5
109.10169	7.5
111.04460	5.9
116.10735	24.6
117.07015	1.0
119.08577	12.0
120.06987	0.6
120.08085	1.6
120.72118	0.6
121.08949	0.8
121.10126	5.7
123.08114	1.0
123.11688	2.8
124.07613	1.1
127.03928	6.5
129.05482	1.1
133.10152	4.0
134.09639	1.3
135.11642	1.5
137.05988	0.9
137.09595	1.1
142.08652	10.7
142.12280	2.5
143.10655	4.9
145.04953	3.1
145.10103	1.4
147.08000	0.8
147.10509	1.3
147.11691	14.5
149.09665	0.8
149.13200	1.0
155.07031	1.9
159.02898	0.8
160.13332	0.7
161.13260	2.5
162.12737	1.0
164.10706	4.2
166.12350	0.8
168.62935	0.7
169.93095	0.6
173.04419	0.6
173.08130	2.4
173.65834	0.7
180.13870	1.6
182.15393	3.7
184.13330	1.5
187.14601	0.6
190.12286	3.3
196.13377	0.6
198.14963	1.7
203.17966	29.6
208.13362	5.8
214.18053	6.8
217.10373	0.7
221.19014	2.4
226.14380	31.9
231.05014	1.7
232.11816	0.8
244.15454	100.0
245.15823	0.9
249.06065	1.9
261.13388	1.3
284.09720	1.8
302.89267	0.8
324.21851	3.1
331.77402	0.7
342.22766	34.8
388.19791	1.3
406.20724	8.1
504.20892	0.6
504.27866	2.3
509.37390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01865	6.1
55.05513	14.5
57.62800	2.3
59.04998	2.7
59.47480	2.3
61.02892	3.8
65.03933	3.2
67.05181	2.8
67.05508	31.6
67.24366	2.4
68.99782	2.6
69.03429	18.4
69.07071	21.7
69.53889	2.1
70.03269	8.3
73.02908	4.1
79.05488	14.4
79.49359	2.4
81.03409	16.7
81.07062	50.1
83.08633	12.2
85.02907	40.9
85.06503	4.5
87.00838	22.0
90.71528	2.5
91.05474	23.0
93.07046	69.4
95.04973	4.5
95.08610	64.7
97.02905	19.7
97.10195	2.7
99.02971	2.6
99.04460	7.4
105.01870	25.7
105.07030	54.7
107.08595	54.4
109.02857	9.9
109.10158	95.2
111.08077	9.3
119.08582	48.8
121.10154	33.5
123.11714	17.7
125.09597	5.8
127.03928	32.2
131.06473	2.8
131.08569	5.5
133.10127	30.9
135.11693	47.7
137.09564	3.9
145.04932	15.0
145.10091	6.5
147.11700	56.8
149.13243	3.0
159.02901	6.5
161.13281	23.5
163.14816	3.1
165.12720	5.1
175.14830	8.2
192.00630	2.8
201.16272	2.9
203.17963	100.0
221.19022	12.8
231.04967	7.5
249.06055	8.6
259.32108	3.0
284.09875	5.7
307.40256	2.6
402.16235	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01871	4.0
55.05517	8.4
57.03432	1.6
57.07077	1.6
61.02919	1.6
67.05505	15.7
69.03439	13.2
69.07072	12.1
69.70142	2.7
69.70558	6.2
71.04983	1.4
71.08637	1.6
72.67926	1.3
73.02891	2.9
77.92506	1.3
79.05499	9.6
81.03429	11.1
81.06588	2.4
81.07059	32.1
82.12397	1.2
83.08624	4.6
85.02915	24.0
87.00832	11.5
91.05480	11.6
93.07055	30.0
95.04963	2.9
95.08613	37.2
97.02896	16.1
97.06528	2.8
97.10181	3.2
99.04449	5.2
105.01872	13.0
105.07038	34.4
107.08595	26.1
109.02890	9.6
109.10163	43.6
111.08097	2.4
117.07032	2.2
119.08588	30.0
121.10150	17.1
123.11709	13.9
125.09626	5.9
127.03914	20.0
131.08554	3.2
131.52673	1.6
133.10149	15.8
135.11685	16.8
143.08632	1.3
145.04979	8.2
145.10136	4.3
147.02843	1.5
147.11691	34.6
149.13269	2.5
159.02901	5.7
161.13248	13.7
163.14833	1.4
165.12764	4.9
175.14838	5.9
177.16385	2.5
203.17967	100.0
210.10486	1.5
219.17506	1.5
221.19060	8.5
231.05026	4.8
239.20070	2.5
296.12726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01868	0.5
55.05512	2.9
56.05027	0.3
57.03436	0.6
59.04994	0.6
61.02907	0.6
62.06071	0.6
65.23135	0.2
67.05497	0.6
69.03432	2.2
69.07063	0.7
70.02295	0.4
70.02703	0.7
70.06583	0.7
71.07367	0.2
71.08635	4.1
72.08149	1.1
73.02926	0.3
79.05501	0.7
81.03433	1.3
81.07072	2.0
83.04984	2.3
83.08645	0.2
84.04488	0.4
84.08147	1.3
85.02907	4.4
86.06075	4.1
87.00811	0.3
87.04459	0.5
91.05482	0.6
93.07046	1.0
95.04980	0.3
95.08595	1.6
96.08132	2.1
97.02911	1.9
97.06530	0.5
98.06049	0.4
98.09692	2.7
98.20927	0.3
99.04456	0.6
99.08090	2.6
101.06024	3.0
105.01877	0.6
105.07034	1.0
107.08583	0.8
108.08128	0.9
109.02877	0.8
109.06506	0.3
109.10152	0.6
110.09643	0.3
111.04443	3.2
113.08372	0.3
114.09134	0.3
116.10738	14.5
119.08585	0.8
121.10117	0.6
122.09673	1.0
123.11702	0.4
124.07613	0.4
127.03925	1.4
129.05495	2.1
131.08644	0.3
133.10126	0.6
135.11688	0.2
136.11220	0.5
140.10707	0.7
142.08638	0.9
143.10664	1.4
145.01773	0.2
145.04953	0.8
145.10091	0.3
147.06511	0.8
147.11681	1.0
154.08710	0.3
154.15910	2.2
155.07021	0.5
161.13370	0.5
164.14420	0.4
166.15919	1.7
168.17479	0.5
170.38065	0.3
172.09711	0.5
173.08128	0.8
178.15869	1.2
182.15410	0.5
190.12315	0.4
196.16985	5.8
203.17978	2.3
208.13205	0.5
214.18027	100.0
215.18391	0.9
221.18993	0.8
226.14365	2.7
231.05005	0.4
244.15459	6.9
249.06142	0.4
273.09872	0.3
277.08749	0.3
291.10666	0.3
293.33951	0.2
324.21844	0.6
342.22754	13.2
376.23315	11.7
388.19562	0.3
406.20847	1.4
419.15228	0.2
504.28116	3.9
504.35568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01872	1.0
55.05515	30.8
57.03433	1.6
57.07079	12.4
65.03951	1.3
67.05506	11.8
69.03436	0.8
69.07072	35.5
71.04999	1.1
71.08636	8.5
71.12703	1.0
79.05499	10.3
81.03423	73.4
81.07068	10.4
83.04990	2.0
83.08624	42.1
85.02914	0.8
85.06552	0.6
85.10201	3.1
85.84404	0.5
91.04900	1.0
91.05486	17.6
93.07049	6.6
95.04969	19.7
95.08613	3.9
97.02892	1.8
97.06531	1.3
97.10177	24.3
103.05472	1.1
105.07036	12.2
107.04962	4.2
107.08604	2.1
109.06547	1.9
109.10190	1.5
111.04452	1.6
111.08092	6.1
111.11726	9.2
115.05473	1.1
117.07025	1.9
119.04943	1.3
119.08588	10.5
121.06516	2.1
121.10153	5.2
123.08095	0.7
123.11683	0.7
125.13268	1.8
128.06227	0.9
129.07013	8.0
131.08586	7.3
133.06485	2.7
133.10138	9.0
135.11707	0.8
137.09642	1.1
141.06931	0.4
142.07784	3.2
145.10167	0.8
147.08083	2.9
147.11697	4.7
149.09628	3.6
157.10124	7.7
159.11752	0.7
163.11224	0.6
165.12793	0.9
175.11217	8.7
185.13243	0.8
193.12251	32.6
203.14531	0.5
205.12613	0.4
211.13255	0.6
213.12730	0.6
231.13895	0.6
237.22231	1.5
249.14854	7.4
282.34479	0.5
323.80338	0.5
429.33411	0.9
503.37344	100.0
504.37781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64244	0.6
53.03953	5.2
55.01860	2.2
55.05519	34.6
57.03426	1.2
57.07081	13.0
59.56018	0.6
61.15271	0.6
61.94040	0.6
67.05513	14.9
69.03423	1.8
69.07074	35.8
69.17445	6.6
71.05003	0.8
71.08639	7.6
75.24919	0.7
79.05077	0.9
79.05510	13.6
81.03426	76.8
81.07063	15.1
83.05003	3.2
83.08627	41.6
83.09364	0.8
85.10207	3.7
91.05492	18.5
93.07061	8.5
95.04981	19.3
95.08617	6.0
97.02895	1.8
97.06535	1.8
97.10179	22.8
98.20797	1.4
105.07045	12.0
106.90209	0.6
107.04959	5.0
107.08606	3.9
109.06541	2.0
109.10178	1.9
111.04455	1.5
111.08081	6.4
111.11735	7.9
115.05450	1.0
117.07043	1.8
119.04915	0.8
119.08595	9.9
121.06533	1.6
121.10136	6.1
121.52165	0.6
123.08031	1.0
123.11673	1.2
125.13255	2.3
128.06197	1.0
129.07022	8.1
131.08585	7.7
133.06503	2.3
133.10129	4.0
135.11681	1.2
137.09628	1.5
142.07800	2.3
145.10141	1.8
147.08092	2.5
147.11673	5.1
149.09639	3.9
157.10136	7.8
165.12714	1.2
175.11186	8.0
193.12259	40.6
210.86810	0.7
213.12791	0.7
228.54890	0.7
231.13858	1.4
237.22166	1.9
249.14900	7.7
301.75415	0.6
313.72504	0.7
419.15637	0.8
429.33865	1.9
439.65869	0.8
503.37363	100.0
504.37402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.5
57.03449	10.7
57.80114	1.7
61.02932	2.4
63.41231	1.7
69.03420	4.8
70.06593	5.2
71.01345	3.4
71.51819	2.2
72.08159	2.0
73.02914	4.4
80.04999	5.1
84.04490	3.9
85.02895	10.2
86.09710	6.6
87.04469	3.0
96.04505	2.1
97.02897	2.8
98.36795	1.8
100.02193	2.5
103.05434	2.8
105.07022	2.3
106.02908	10.5
108.04472	4.1
115.03948	8.5
121.02885	1.8
123.05566	48.4
124.03949	4.2
132.04482	1.9
133.04959	13.3
136.03989	12.2
136.06195	100.0
146.02724	4.1
146.06032	4.1
148.06204	3.8
149.07037	1.8
157.13351	2.3
162.05544	2.0
174.05498	5.2
177.06737	1.8
178.05006	27.5
178.07263	14.1
185.12927	2.1
188.07127	8.4
189.05589	1.7
189.07449	3.1
194.04831	5.0
202.05032	6.6
203.03397	1.8
204.04237	4.4
205.05019	2.9
205.09685	3.4
207.06544	2.3
214.07222	2.0
219.06583	7.0
220.05861	9.2
221.08136	2.4
237.08752	14.1
247.05988	1.9
249.03911	7.8
255.09830	5.0
264.06213	9.3
265.07123	9.9
291.08704	6.8
305.06421	2.7
310.09183	8.1
311.07635	5.3
311.12131	1.7
319.09390	10.6
323.07568	3.8
325.09155	6.0
335.07498	4.0
337.10107	1.6
352.10300	3.4
353.08694	5.1
355.11493	40.0
365.08710	51.2
369.13022	3.4
372.14011	2.3
487.15723	18.6
504.11664	1.9
504.18607	10.3
504.25204	2.4
505.16608	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
53.32454	1.8
53.44043	1.7
55.01861	3.8
55.05515	11.3
56.61832	1.8
57.07051	2.9
65.03970	1.9
67.05517	25.4
69.03415	2.1
69.07075	17.4
70.53381	6.0
73.02265	1.7
78.39764	1.9
79.05502	16.6
81.03416	2.6
81.06596	2.8
81.07059	53.7
83.08626	7.1
85.02906	7.8
85.06560	3.8
91.05488	35.5
93.07046	100.0
95.04958	4.2
95.08611	52.8
97.02914	2.4
97.06528	2.5
97.10201	3.9
104.10730	3.3
105.01898	3.6
105.07034	50.1
107.08599	49.1
109.02874	2.2
109.10161	74.9
111.08087	20.0
117.07026	2.3
119.08588	37.1
121.10155	32.0
121.13656	2.0
123.11716	12.8
125.09636	3.3
127.03920	4.6
131.08568	2.0
133.10118	22.5
135.10710	3.6
135.11697	53.0
139.11211	2.8
145.04994	2.6
145.10133	3.2
147.11690	45.5
149.13240	2.9
158.74910	1.9
161.13231	15.7
163.14806	4.4
175.14818	7.4
179.99156	2.4
184.07346	4.2
203.17963	55.1
221.18980	5.1
228.29726	2.1
380.28851	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	503.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.7
53.03954	29.5
55.01879	19.0
55.05511	31.6
57.03431	10.1
61.02950	6.4
65.03938	6.6
65.38641	3.5
67.05508	66.9
68.99785	11.2
69.03432	47.2
69.07074	22.8
69.11360	3.3
69.76474	5.5
69.76886	14.0
70.19006	3.0
71.04979	12.2
73.02912	5.3
79.05076	3.9
79.05502	52.1
81.03426	100.0
81.07063	65.9
83.04981	19.8
83.08614	10.4
85.02922	32.5
85.06538	6.2
87.00818	15.5
91.04985	5.0
91.05491	71.5
93.07047	48.9
95.04965	22.7
95.08619	43.6
97.02896	28.6
97.06532	12.0
97.10148	3.6
98.21468	7.1
99.04462	9.8
103.03979	3.8
103.05482	9.4
105.01873	6.9
105.03388	9.4
105.04486	5.6
105.07041	48.0
107.04965	54.1
107.08595	20.3
109.02885	53.5
109.06506	5.1
109.10146	15.3
111.04440	17.5
115.05441	23.4
116.06245	4.4
117.07029	33.2
119.04935	13.2
119.08588	21.2
121.02870	22.2
121.06527	8.7
121.10131	8.0
123.04446	11.9
127.03905	22.2
128.06232	34.1
129.07014	50.1
131.04932	31.1
131.08583	34.1
133.06525	21.7
133.10141	10.7
135.04387	6.9
135.08034	4.8
135.11662	6.3
137.05960	6.7
141.06975	24.3
142.07849	7.8
143.08549	22.1
144.05714	8.1
145.06512	35.3
145.10144	22.5
147.04401	14.8
147.08026	9.8
149.06036	6.8
149.13329	4.9
152.06282	5.5
153.06996	14.4
154.07826	7.2
155.06021	4.9
155.08542	12.1
157.06512	27.6
157.10127	13.8
159.04454	5.0
159.08035	23.1
159.11691	6.4
161.05968	9.6
161.09563	4.0
161.13252	7.3
163.07533	5.1
163.11183	4.6
165.05736	3.4
165.07047	13.3
166.07799	4.9
167.08571	15.6
169.06488	12.3
169.10139	11.1
170.07179	4.8
171.02989	4.0
171.08066	28.8
171.11658	8.6
173.06000	12.9
173.09622	11.0
173.13321	5.7
175.07611	7.0
178.07825	8.1
179.08591	12.1
181.06470	13.9
181.10129	10.2
182.07227	5.4
183.08089	16.6
183.11621	5.3
185.05978	9.7
185.09641	19.2
185.13304	7.1
187.07539	8.5
187.11191	4.8
189.05557	4.8
191.08694	5.4
193.10181	7.7
195.08028	18.5
195.11769	3.9
197.06021	5.7
197.09659	12.4
197.13252	3.6
199.07568	8.5
199.11218	6.3
203.07048	6.2
205.10159	3.6
207.08041	8.2
207.11743	4.2
207.13745	5.2
209.09561	5.1
211.07532	7.5
211.11238	3.6
211.14914	5.2
213.09116	5.3
213.12634	3.7
214.23601	3.7
215.14394	3.8
219.08200	5.7
221.09546	8.5
223.07567	8.5
225.09048	7.4
233.09746	5.7
235.11057	4.3
237.08986	4.5
239.10753	6.7
249.09216	5.6
251.10817	4.6
255.17360	8.8
273.18588	30.9
297.18533	11.8
309.18524	5.4
313.17984	4.5
327.19565	4.4
339.19427	7.1
353.21262	4.4
357.20395	7.1
363.19534	17.2
381.20767	18.5
399.21625	9.2
459.23776	9.7
467.20352	5.7
485.21667	9.7
485.28192	6.5
503.22635	91.2
503.28891	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	503.1892
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
55.05507	0.7
56.05014	0.5
61.73654	0.5
67.05492	0.8
69.03399	0.5
69.07066	0.7
70.06602	2.2
70.47089	1.5
72.08160	0.6
79.05489	0.8
81.03431	0.6
81.07038	1.2
83.08638	0.5
84.04504	1.0
84.08128	1.5
85.02898	1.3
85.06541	0.7
86.09707	6.0
91.05466	1.0
93.07031	0.7
95.08583	1.3
97.02872	0.9
105.07014	1.1
107.08565	1.2
119.08588	0.6
121.10162	1.3
128.06259	0.5
133.10088	1.2
137.05952	3.3
137.09651	1.0
147.11725	0.6
149.09602	0.8
149.99625	0.5
159.11646	0.7
161.06024	0.7
162.07675	0.8
175.07593	0.6
185.84908	0.5
187.07541	0.7
201.12440	1.3
219.08145	0.5
219.17564	0.6
229.11917	1.5
254.59195	0.5
275.16010	1.0
311.12866	0.9
330.16714	0.5
337.14172	0.8
503.18921	100.0
504.19217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67734	0.4
53.82745	0.4
55.01867	0.7
57.03438	0.8
66.04727	0.4
69.03426	2.1
70.06592	1.4
70.76224	1.2
72.08135	0.9
79.05495	1.4
81.03419	1.0
81.07045	1.4
84.04508	0.9
84.08144	1.6
85.02911	5.2
86.09706	3.3
89.68198	0.4
91.05489	3.7
94.04179	2.2
95.04957	0.5
97.02894	2.8
102.05591	0.7
103.05462	1.2
105.07037	6.6
107.04935	1.4
107.48456	0.4
109.02885	0.7
109.06515	1.7
115.05447	3.4
117.07042	1.1
118.04215	0.5
119.04937	1.2
119.08571	1.9
121.06517	0.6
122.03645	6.1
122.17824	0.4
127.03941	1.4
128.06216	1.2
129.07014	1.9
129.10243	0.7
131.04927	1.4
132.05727	2.4
133.06482	3.5
137.05986	100.0
143.04993	0.7
144.05672	0.7
145.04900	0.6
145.06467	1.1
146.03598	0.7
147.04408	1.7
147.08072	2.5
149.05980	2.0
150.30287	0.4
151.07567	0.6
155.04922	0.7
156.05682	0.6
157.06404	0.8
159.08044	2.3
160.05202	1.3
161.05989	12.6
161.09612	0.5
163.07582	1.1
165.07031	0.6
171.08159	0.6
172.05241	1.0
175.07558	27.2
179.07079	1.4
179.08630	0.5
184.05188	0.9
185.05991	0.6
187.07542	9.5
189.06929	0.5
189.09120	0.8
190.07802	2.0
191.08563	6.2
199.07570	7.0
200.18594	0.4
201.05440	0.9
202.07825	2.5
203.08568	5.2
204.09334	0.4
205.06563	0.5
208.08759	1.0
214.10847	0.4
217.08662	1.2
218.07318	1.8
219.08075	10.6
220.08833	1.9
231.08044	4.7
232.08777	1.1
235.07581	1.1
235.11295	0.4
236.08353	1.9
237.09157	0.8
243.13559	0.6
246.06862	0.6
247.07541	5.7
248.08276	2.5
249.09119	0.8
251.10696	14.8
259.07584	3.8
260.08307	1.3
261.09155	1.0
261.14719	0.4
263.06866	0.4
263.10666	2.4
264.07913	1.4
265.08643	0.9
275.07013	0.5
276.07852	1.7
276.10623	0.5
277.08664	1.6
279.10175	10.8
280.10950	0.8
281.08112	0.7
291.10187	8.7
291.13470	0.6
292.10953	1.8
295.09787	0.8
295.13226	0.9
296.10538	1.5
308.10324	1.1
309.11368	0.6
311.12793	26.4
323.12799	13.5
324.11490	0.9
341.13788	1.2
503.19022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79687	0.6
53.03956	1.3
54.15244	0.5
55.01869	1.0
55.05529	0.6
57.03427	2.1
61.02932	3.4
63.14902	0.6
63.24906	0.6
65.03957	1.0
67.05476	0.7
69.03434	8.7
70.06589	2.6
71.04995	1.1
71.52892	0.6
73.02919	1.3
75.94231	0.6
79.05489	2.6
81.03419	3.6
81.07066	2.6
84.08115	1.7
85.02911	17.3
86.09706	1.9
87.04449	1.0
91.03945	0.9
91.05475	5.1
93.07036	0.9
94.04194	3.2
97.02892	6.6
103.05445	3.7
105.07029	4.7
107.04952	1.9
107.08617	1.0
109.02850	2.1
109.06519	2.7
115.05445	3.7
116.64895	0.6
117.07032	1.6
119.08596	3.7
120.97816	0.5
121.06560	0.7
122.03648	8.6
123.04372	0.7
127.03899	3.6
128.06216	2.2
129.06993	2.1
131.04950	5.7
131.08589	0.9
132.05711	3.2
133.06528	2.2
136.03952	1.1
137.05988	100.0
141.07010	1.6
143.04901	0.9
145.05008	2.3
145.06487	1.2
145.10207	0.8
146.03670	1.2
147.04396	1.3
147.08061	4.0
149.05989	1.7
156.05696	0.8
157.06494	0.8
159.08052	2.3
160.05202	2.5
161.05989	10.8
161.07269	0.9
161.13310	0.7
163.03972	1.2
163.07542	8.8
167.07115	1.1
168.05716	0.7
169.06470	1.0
171.04260	0.6
171.08018	1.2
173.09659	0.8
175.07561	39.8
179.03485	0.9
179.07088	1.0
183.48846	0.7
184.05269	1.4
187.07552	6.8
189.09067	0.9
190.07837	1.5
191.08591	5.6
199.07559	13.9
201.05463	1.8
201.09238	0.7
202.07693	3.8
203.08595	7.8
205.03232	0.6
208.08836	0.8
217.08676	0.6
218.07312	1.9
219.08072	7.9
220.08835	2.9
223.07358	0.7
230.07288	0.9
230.17671	0.8
231.08078	9.6
232.08791	1.3
235.07590	0.9
235.11249	1.1
236.08365	1.9
237.09174	0.7
245.09520	0.8
247.07541	4.2
248.08412	3.8
249.09230	1.4
251.10661	9.2
253.96931	0.6
258.06915	0.8
259.07587	5.0
260.08377	2.4
261.09122	1.5
263.10727	4.8
264.07971	0.9
265.08658	1.1
267.13464	0.9
275.07047	0.7
276.07935	2.6
277.08548	3.1
278.09445	0.6
279.10168	8.5
280.10953	1.4
291.10168	11.3
292.10986	3.8
293.08209	1.3
293.11685	1.3
295.09995	1.1
295.13373	2.1
296.03027	0.6
296.10312	0.6
308.10449	0.9
311.12811	23.7
323.12766	21.3
325.14404	2.2
337.14294	0.8
346.81406	0.6
414.27899	0.6
485.19669	0.9
503.18994	9.8
503.32108	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25093	1.4
55.05509	8.5
56.83691	1.3
57.03438	12.7
57.06797	1.7
57.07078	25.4
59.04998	3.3
59.91119	1.5
67.05508	64.7
69.07069	6.7
69.68551	8.0
71.05000	2.9
71.08634	18.9
75.60693	1.3
81.07066	15.9
82.30927	1.4
83.08618	9.0
85.06545	2.4
85.10198	11.0
89.06078	1.9
91.05451	2.3
93.07070	2.3
95.08604	13.5
97.10202	2.6
98.20718	1.8
107.08627	1.8
109.10161	59.7
111.08060	2.6
119.08569	3.9
123.11738	1.9
128.28641	1.2
133.77904	1.3
155.10707	6.2
164.74210	1.3
173.11755	18.0
229.14365	100.0
239.23732	1.7
257.24887	1.7
277.33716	1.3
313.27371	92.3
333.43484	1.3
467.37354	60.5
468.38809	1.3
469.45615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01880	2.4
57.03441	3.5
57.14927	0.5
58.94296	0.4
61.02924	3.3
62.97950	0.5
63.16327	0.4
65.25544	0.4
65.42042	0.5
69.03433	16.2
70.06573	1.6
70.75684	0.5
70.76003	0.8
71.01360	0.5
71.04984	5.1
72.08155	2.7
72.46999	0.5
73.02892	1.2
79.06453	0.5
79.83282	0.5
81.03422	21.0
84.04478	0.7
84.08125	2.4
85.02907	16.4
86.09695	3.4
87.04459	1.8
91.03928	1.1
97.02896	6.5
99.04465	6.8
109.02882	2.3
117.05493	1.0
120.08121	0.5
127.03915	3.7
129.10240	1.3
133.07585	2.2
134.06009	0.8
138.52669	0.5
145.04942	2.5
160.07588	0.7
161.07092	6.5
163.08687	3.9
178.07332	1.0
179.08171	1.2
189.06615	4.8
191.08168	6.1
207.07652	100.0
208.07977	0.8
219.07640	1.1
221.09213	0.6
231.07695	0.8
232.03845	0.5
247.10863	0.8
249.08653	1.7
254.44588	0.5
262.57278	0.4
269.16196	0.4
299.06250	0.5
305.11301	2.0
305.22787	0.5
323.12381	33.9
341.13437	95.8
342.13919	0.6
432.35974	0.6
442.95151	0.6
502.97125	0.7
503.18735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42973	1.4
53.03938	2.3
55.01860	4.2
55.05499	6.5
57.03426	5.6
61.02917	3.7
67.05511	16.8
69.03414	4.4
69.07076	12.8
69.62076	3.1
69.62484	6.6
71.04980	4.3
73.02885	1.7
75.62723	1.8
79.05504	15.2
81.03400	4.2
81.06603	1.8
81.07063	24.5
83.04966	3.9
83.08617	4.1
84.53429	1.4
85.02898	5.0
85.06535	3.8
86.09684	2.7
87.95415	1.3
91.03988	2.3
91.05486	17.2
92.05805	1.4
93.07058	22.0
95.04974	6.1
95.08627	16.5
97.02879	3.8
97.06541	8.3
98.21494	2.6
105.07046	17.0
107.04937	4.9
107.08620	14.4
109.06513	5.8
109.10138	6.5
111.08065	2.2
117.07037	8.4
119.08604	14.1
121.06518	8.1
121.10177	10.5
123.04491	1.7
123.08045	5.0
123.11692	2.9
127.03991	1.5
129.06999	3.4
131.08577	16.4
133.10181	11.3
135.08037	5.8
135.11708	7.5
137.09607	3.6
141.06956	1.8
143.08521	5.6
145.06534	1.8
145.10144	18.1
145.84724	1.4
147.08025	3.2
147.11679	5.3
149.09618	12.1
149.13231	4.1
151.11238	6.8
151.26372	2.0
151.27501	1.7
155.08653	2.8
159.02893	1.6
159.08070	2.9
159.11708	7.5
161.09596	5.8
161.13264	4.9
163.11200	16.2
165.09201	1.7
171.11714	1.9
173.09663	4.7
173.13234	1.8
175.11238	2.7
175.14758	1.6
177.12755	2.1
179.10692	5.2
187.11206	2.4
187.14868	4.0
191.10683	2.6
195.13681	1.8
201.16386	10.0
203.14279	3.2
205.12434	1.8
211.14857	3.7
214.18117	2.0
219.17436	11.4
229.15904	9.3
247.16911	19.1
251.56848	1.6
253.17967	2.3
265.15225	2.6
265.17957	17.4
269.10468	1.7
269.17447	4.6
271.19034	4.6
321.20621	100.0
333.62354	1.8
339.21680	50.9
367.17834	5.9
403.24203	1.9
465.32043	5.8
483.32986	3.0
501.32022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19612	1.7
53.03947	6.2
55.05521	15.8
57.03427	2.0
57.07078	3.4
62.73230	1.4
65.03941	3.6
67.05508	47.6
69.07068	13.2
70.06596	1.7
71.04973	3.2
71.52880	2.6
79.05495	53.0
81.03423	2.3
81.07061	58.8
81.07539	3.2
83.04993	2.9
83.08642	10.5
85.06548	2.4
87.90575	1.5
91.05487	25.0
93.07050	66.0
95.04964	4.3
95.08617	20.1
97.06536	5.6
97.10190	3.0
99.08103	3.1
105.04495	3.1
105.07040	14.3
107.08602	20.2
109.10185	7.7
111.08095	3.8
117.07028	8.3
118.98056	1.6
119.08599	10.0
121.06522	1.6
121.10155	28.3
121.10944	2.7
123.11731	3.9
125.09642	3.1
129.07076	2.7
131.08580	9.9
132.50571	1.6
133.10143	9.4
135.11711	8.4
139.43254	1.5
143.08604	2.5
145.10117	8.6
147.11702	4.2
149.13258	14.9
155.08620	2.5
157.10172	2.6
159.11702	11.5
161.13272	2.4
169.10188	2.0
171.11679	3.5
173.13297	4.0
177.12830	2.4
181.91896	1.5
183.11601	2.3
195.13844	8.2
197.13335	2.4
199.14790	1.9
206.07976	1.8
215.17934	2.0
233.18919	1.8
244.22873	3.6
245.23193	2.4
283.26331	3.7
284.26697	5.0
409.31110	5.6
483.34619	2.1
501.35812	100.0
501.46457	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	502.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.6
56.05033	2.6
57.03437	0.7
59.26658	0.4
60.99707	0.4
67.05527	0.7
69.03448	0.5
69.07072	5.4
70.06595	10.8
71.51405	0.6
72.08157	69.7
74.06090	3.2
79.05487	0.6
81.03419	1.0
81.07082	0.6
83.08598	0.7
83.48048	0.5
84.04507	3.1
84.08144	4.2
85.02911	2.6
86.06068	0.9
86.09710	100.0
87.10033	0.6
88.03999	0.8
89.06026	0.5
91.05501	3.2
93.08775	0.5
95.04966	0.5
95.08571	0.8
96.08165	0.6
97.02898	1.6
101.07134	1.7
101.64104	0.6
102.05558	1.2
105.07017	1.4
109.02893	0.9
112.03980	1.8
114.09147	0.6
115.08679	0.5
116.07088	0.9
116.10741	0.5
119.04973	0.6
120.08091	0.9
125.10766	1.9
127.03960	0.6
127.12357	0.6
129.10248	3.2
131.05031	0.5
136.07576	1.7
137.05971	0.6
138.05484	1.0
138.09134	0.9
139.08633	0.7
142.08644	0.8
142.12280	6.6
143.14302	1.3
144.06544	0.5
145.07610	0.6
147.04254	0.5
152.10718	2.9
154.08669	3.1
155.11790	0.6
156.05693	0.7
164.07190	0.6
169.13313	1.3
170.09644	1.1
172.09734	4.5
173.12839	4.7
183.11392	1.2
183.14882	0.9
184.07376	2.5
185.16487	10.3
187.14436	6.6
189.12347	7.6
193.12119	0.6
197.12863	23.4
199.18092	3.1
201.12489	2.4
210.63902	0.5
212.16434	2.4
213.15977	8.8
215.11751	6.2
215.13892	9.0
217.08626	2.9
227.17551	0.8
230.17566	0.8
243.11302	1.3
247.07468	0.7
251.17523	2.1
268.20059	1.0
286.06967	0.5
286.17401	1.1
288.19159	5.6
296.19705	34.6
314.20734	12.9
322.10812	0.6
328.20007	1.0
334.14719	0.6
340.21262	0.9
368.08420	1.7
374.21518	2.4
389.18002	2.0
389.23102	0.6
399.29672	6.0
406.20450	0.9
427.29132	5.3
448.34103	0.5
484.31070	0.8
502.18530	0.9
502.25992	2.2
502.32092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
55.05514	9.0
56.05043	0.8
57.05827	1.6
69.68746	2.1
70.06593	2.4
72.08158	100.0
78.71356	0.3
82.69148	0.3
84.04505	0.6
84.08156	0.9
86.06037	0.3
86.09710	1.2
90.54285	0.4
91.05483	3.2
107.04971	0.5
108.78845	0.3
119.04936	5.5
119.08672	0.4
120.08084	0.3
123.04441	1.0
129.10181	0.6
133.66257	0.3
136.07584	73.1
137.56868	0.3
141.29822	0.3
147.04486	0.8
152.05734	0.4
156.75969	0.4
165.05444	2.7
182.08136	6.9
188.08304	0.6
193.09737	40.3
203.03610	0.3
205.06525	0.3
221.09216	42.0
235.14490	1.1
242.15089	0.4
247.14156	0.5
250.06335	0.5
268.34555	0.3
275.13919	5.3
278.05670	0.7
281.14957	21.4
320.16046	13.0
322.13937	1.4
323.86392	0.4
324.06195	0.5
339.08643	1.4
367.08078	1.3
375.81235	0.3
448.80911	0.4
483.22314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36132	2.4
53.03945	9.5
55.01879	30.0
55.05516	25.6
57.03450	30.7
58.40332	3.3
61.02932	51.5
65.03922	4.6
67.05513	50.4
69.03438	36.1
69.06737	4.0
69.07076	57.1
70.06587	2.9
71.01348	5.2
71.04974	9.2
72.08137	3.6
73.02909	29.0
79.05078	4.9
79.05498	73.6
81.03427	29.3
81.07065	100.0
83.04977	9.9
83.08632	15.8
85.02455	3.8
85.02915	56.1
85.06535	4.9
86.09726	5.0
87.00855	3.9
87.04424	3.8
91.03971	21.1
91.05485	51.9
93.07052	62.6
95.04981	21.7
95.08620	56.7
97.02898	45.1
97.06538	43.9
97.10169	3.6
99.04447	7.6
99.08078	6.3
101.02370	8.2
103.03936	8.7
105.07036	38.5
107.04950	22.7
107.08597	50.3
109.02863	12.8
109.06522	27.8
109.10181	19.5
111.04430	3.9
111.08063	7.4
115.03948	4.4
117.07036	23.6
119.08577	38.8
121.06518	9.8
121.10158	30.8
123.04422	5.8
123.08073	22.5
123.11717	4.1
125.06003	4.6
125.09622	8.3
127.03915	21.6
129.05528	3.9
129.07001	7.3
131.08577	36.1
133.06485	9.8
133.10126	28.1
135.08070	34.5
135.11684	9.6
137.09633	22.1
139.11182	7.1
141.09171	4.1
143.07077	14.8
143.08516	5.8
145.04942	8.8
145.06430	3.9
145.10126	34.5
147.08017	8.5
147.11703	6.9
149.09634	65.0
151.07558	8.3
151.11148	12.3
153.09097	4.4
155.08556	3.8
157.10162	5.2
159.08099	4.1
159.11703	10.7
161.05992	4.0
161.08212	3.9
161.09628	7.6
161.13274	3.2
163.11163	14.0
165.09125	7.6
167.10686	5.7
169.10146	11.9
171.10173	6.1
171.11609	4.2
173.09610	9.4
175.11224	6.7
177.09026	6.0
179.10660	3.4
183.06528	5.2
183.08151	3.5
183.10077	4.5
183.11723	3.9
185.13316	4.7
187.11163	5.7
187.14787	7.6
189.12740	3.4
199.09711	4.3
201.07646	3.8
201.11131	3.9
201.16393	21.0
206.85048	2.8
211.14807	7.3
217.10704	8.3
219.17490	9.8
229.15919	21.7
235.16862	4.3
237.18365	3.5
241.14342	7.8
247.16957	53.4
253.18047	4.1
253.21631	5.0
265.15372	3.0
265.17963	16.4
321.20584	77.8
339.21655	68.6
363.21494	3.6
447.24002	4.0
483.26489	10.1
501.27884	26.6
501.34216	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	500.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.5
57.03435	14.6
57.07085	8.7
59.05004	4.4
65.03951	1.9
67.05507	80.2
69.07071	25.5
71.04992	3.3
71.08641	5.0
73.18029	0.9
79.05492	2.4
81.07055	13.9
81.71667	0.8
83.08620	23.2
85.06551	3.2
85.10183	2.8
91.05470	4.7
93.07056	3.8
95.08612	6.2
97.06523	1.1
97.10178	14.4
98.20769	1.6
107.08611	3.3
107.11102	0.8
109.10162	70.4
111.08094	3.4
111.11725	2.9
119.08583	4.8
121.10157	1.5
128.77858	0.8
135.11713	2.4
137.09697	2.0
140.37085	0.9
144.82564	0.7
155.10674	6.0
173.11720	20.6
175.00809	1.0
199.31850	0.8
210.24545	0.8
229.14357	100.0
283.26358	0.9
308.55008	0.9
311.25818	68.4
322.36603	0.9
355.57043	1.1
465.35791	69.3
500.46420	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.8
60.40705	0.6
61.01117	0.5
67.05434	1.2
69.03377	1.3
69.06995	1.2
69.23561	4.6
69.28827	0.5
70.06518	11.5
71.06857	1.0
72.08104	1.3
74.02383	0.6
79.05442	1.0
81.03345	1.6
81.06984	2.3
81.56226	0.5
83.08571	0.5
84.08056	0.7
85.02827	2.1
86.09704	4.1
87.05511	0.6
91.05458	1.3
93.06970	1.5
95.04928	0.9
95.08551	1.2
97.02842	1.2
97.06439	0.6
99.04382	0.7
105.01778	0.7
105.06969	1.9
105.07635	0.6
107.04887	0.7
107.08514	2.1
109.06457	1.2
109.10117	1.0
118.06884	3.8
119.08504	2.1
120.06422	1.0
120.08119	0.5
121.06356	0.6
121.10101	1.3
127.03800	0.7
133.06075	3.2
133.10066	1.9
135.07988	1.1
137.05975	1.4
145.04945	0.6
147.04346	2.1
147.11610	1.8
159.11670	0.9
161.09544	1.6
166.02621	0.7
175.14799	1.0
176.06180	1.3
177.06973	1.6
181.04953	9.2
181.06400	0.6
187.03876	0.7
189.16374	3.7
194.07211	1.1
195.08104	0.9
202.78119	0.6
204.05705	1.3
205.06497	5.9
208.05084	0.7
209.05905	1.3
209.51105	0.5
217.15840	3.7
221.06001	3.5
222.06906	3.0
223.07590	4.0
232.05128	0.8
233.06055	5.2
234.06720	1.6
235.07561	0.8
235.16943	9.4
236.04646	1.9
237.05386	1.3
238.06145	0.8
247.07730	0.8
249.05469	2.7
250.06271	22.1
251.07013	3.6
253.04854	1.6
253.17897	2.6
254.05658	1.5
260.04626	0.7
261.05392	2.2
262.06274	3.9
263.03668	0.8
263.06863	1.1
264.04123	1.5
265.04935	2.9
265.08408	0.9
266.05765	1.4
267.06519	1.1
268.06937	0.6
271.05801	0.6
274.12054	0.9
275.12399	0.5
277.04840	1.9
278.05759	39.5
279.06540	14.0
280.07370	0.9
281.04465	9.0
281.07513	1.1
282.05188	3.8
283.05783	0.8
290.05869	0.7
291.06326	0.7
292.03699	0.7
293.04544	1.4
293.08200	1.9
294.05103	3.1
295.06024	30.1
296.06772	1.6
305.04285	0.7
306.05209	14.2
307.06018	15.4
308.06772	2.5
309.03995	3.5
309.07016	0.6
310.04688	7.0
311.05719	0.7
311.09183	1.7
314.66635	1.0
315.08591	1.4
315.16895	1.4
315.66727	1.3
321.04053	1.2
321.07614	2.0
323.05579	12.3
323.09027	1.3
324.06293	20.5
325.07086	2.6
328.06003	0.7
334.04901	1.1
335.05569	0.7
339.08652	96.5
340.09286	1.3
343.08157	6.8
349.06989	4.5
351.04868	0.6
352.05798	2.0
367.08136	100.0
368.08350	1.1
375.19263	0.7
385.09207	5.5
437.78748	0.7
483.09329	2.5
501.10388	35.8
501.17358	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	500.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01876	1.9
55.05505	3.6
57.03428	4.1
60.02593	1.2
61.02927	3.1
67.05514	10.1
69.03419	4.0
69.07069	2.3
69.74640	7.2
70.06606	9.8
71.04981	1.5
72.08166	3.1
79.05493	11.2
81.03425	100.0
81.07063	11.0
83.04972	4.7
83.08157	1.7
83.08626	21.2
84.04501	1.9
84.08120	1.7
85.02898	5.2
86.09712	4.2
87.54896	1.2
89.76495	1.2
91.03965	1.5
91.05474	11.1
93.07053	7.5
95.04971	32.9
95.08614	2.7
97.02888	5.1
97.06567	1.5
97.10252	1.2
98.06017	1.3
105.07052	8.6
107.04962	6.7
107.08575	2.2
109.02892	1.3
109.06542	3.1
111.04436	2.1
111.08090	8.9
115.05457	1.6
117.07025	1.6
119.04920	2.2
119.08578	11.3
121.06510	1.4
121.10128	5.6
123.04419	1.6
125.02339	1.9
127.03924	2.3
129.07036	7.7
129.10223	2.2
131.08592	7.7
133.06464	2.1
133.10117	3.6
134.82265	1.1
134.92052	1.2
137.05959	1.2
137.09688	1.5
145.10101	1.5
147.08086	2.0
147.11674	6.9
149.09618	4.8
157.10146	9.2
175.11177	15.3
193.12260	63.0
204.23181	1.2
211.13338	5.7
267.15952	43.0
285.16983	84.8
301.14255	1.2
309.17010	11.1
351.17786	1.5
375.18005	2.5
383.07474	1.3
393.19138	2.7
430.66959	1.2
447.22345	2.3
500.15396	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01875	12.5
55.05511	5.4
57.03446	7.9
61.02930	7.9
65.03910	1.8
67.05175	1.7
67.05504	17.0
68.99796	6.7
69.03434	42.0
69.07059	4.4
69.40627	8.4
71.01354	1.4
71.05009	9.0
72.90096	1.1
73.02913	6.4
74.99438	1.2
79.05493	16.6
81.03420	43.4
81.07057	15.0
81.80654	1.2
83.01331	1.5
83.04993	2.3
83.08621	1.6
85.02908	100.0
85.06525	1.5
87.00314	2.2
87.00836	40.2
87.04443	1.6
91.03937	3.0
91.05486	29.1
93.07049	13.0
95.04996	8.2
95.08608	9.0
97.02293	2.1
97.02894	30.6
97.06535	3.3
97.10116	1.4
98.21500	1.7
99.03938	1.4
99.04463	14.0
103.03932	4.9
103.05462	5.1
105.01205	2.4
105.01871	33.6
105.06397	1.8
105.07040	19.6
107.04964	9.1
107.08594	8.7
109.02885	36.3
109.06498	2.1
109.10138	5.6
111.04430	1.8
115.05463	8.8
116.06226	2.2
117.01808	3.6
117.07028	14.9
119.04936	3.9
119.08596	11.9
121.02821	1.6
121.06525	7.2
121.10122	3.2
123.04465	7.4
123.20657	1.2
127.03925	54.6
128.06238	10.8
129.01839	5.4
129.07011	16.9
131.04909	3.8
131.08574	16.8
133.06493	6.7
133.10112	5.7
135.04448	1.5
135.08026	4.3
135.11703	2.4
137.06032	1.5
141.06999	5.8
142.07794	4.2
143.08569	10.0
145.04947	19.8
145.06474	11.0
145.10126	4.2
147.02832	3.7
147.04379	1.6
147.08057	6.4
147.11681	3.4
149.05980	2.0
149.13228	3.5
151.03886	1.7
153.07011	2.1
155.05981	1.3
155.08545	4.8
157.06485	6.3
157.10120	6.9
159.02899	13.7
159.08054	6.9
159.11665	3.8
161.06015	1.4
161.09654	2.2
163.03975	1.4
165.06999	2.4
165.09126	2.6
167.08549	2.9
169.04906	2.0
169.06398	1.6
169.10121	3.1
171.08043	4.9
171.11691	1.4
173.09674	1.3
173.13210	1.8
175.07545	1.7
175.14775	2.9
177.12798	1.6
179.08501	1.4
181.10046	2.1
183.08014	2.7
185.06013	1.8
185.09599	2.3
187.07532	3.0
189.03899	4.0
189.16446	1.3
195.08122	1.9
197.09703	1.9
199.07594	2.0
199.14787	2.0
202.69066	1.1
213.03958	4.8
213.09106	1.2
215.14339	1.1
217.15869	4.3
231.05005	11.1
235.16945	16.4
249.06216	1.4
259.17023	5.9
267.84839	1.2
277.18008	1.8
283.16782	1.8
297.18460	1.9
301.18033	4.8
325.17889	4.0
343.19034	3.7
356.69571	1.3
373.28641	1.3
447.20059	1.4
465.21133	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30704	1.6
53.03933	6.8
55.01870	5.5
55.05268	2.6
55.05513	31.4
57.03192	2.6
57.03441	30.0
57.07074	5.5
58.30174	1.6
60.08155	4.4
61.02931	58.4
65.03925	3.4
67.05508	81.1
69.03429	34.1
69.06733	2.9
69.07076	36.2
71.01337	4.7
71.04987	5.3
71.08624	4.4
71.53217	2.4
73.02927	31.2
75.04438	2.6
78.12180	1.6
79.05496	32.1
81.03419	30.5
81.07058	87.3
83.01330	1.7
83.04993	4.4
83.08626	24.4
85.02910	62.9
85.06547	3.9
86.09724	11.0
87.04442	4.2
87.10044	5.8
91.03965	37.5
91.05482	21.7
93.07047	39.2
95.04968	4.3
95.08611	66.0
97.02900	54.4
97.06522	5.3
97.10186	14.6
99.04468	11.6
99.08122	4.1
101.02396	13.4
101.41682	1.5
103.03938	7.9
104.10750	23.0
105.07039	19.4
105.11075	9.1
106.11247	3.2
107.04960	2.0
107.08591	23.3
109.02889	10.4
109.06490	2.3
109.10162	38.1
111.04454	2.2
111.08103	4.4
111.11724	4.0
115.03952	3.5
117.05508	2.9
117.07034	3.4
119.08591	16.2
121.06525	1.6
121.10155	17.7
123.08070	3.0
123.11716	13.1
125.00018	4.2
125.05939	1.7
125.09622	4.9
127.00459	4.2
127.03922	25.8
129.05489	5.9
129.07008	4.8
131.08585	7.9
133.10143	14.6
135.11737	11.1
137.13243	5.1
139.11214	3.5
143.08617	3.1
145.04953	9.7
145.06326	1.6
145.10146	7.2
147.11711	11.2
149.13226	8.1
151.11214	2.4
151.14822	6.0
153.12691	2.2
157.10133	5.2
159.06522	2.5
159.11670	4.8
161.13225	10.5
162.82399	1.7
163.14821	5.9
165.12689	2.6
169.10164	2.8
171.11745	4.1
173.13251	3.2
175.14795	6.4
181.10172	2.1
183.06528	6.8
183.11719	2.5
184.07390	12.6
185.07690	9.3
186.07758	12.1
187.08080	2.2
187.14867	2.3
189.16432	3.3
191.76743	2.1
193.12335	2.6
197.13368	2.7
201.07599	5.5
215.17960	2.4
241.19730	1.7
243.21147	2.2
245.22650	12.3
263.23688	22.6
317.24649	1.8
337.27386	100.0
365.26929	2.5
371.25830	4.5
384.76303	1.8
407.29077	6.9
425.30356	2.2
443.31842	2.1
445.29242	3.5
463.30646	3.7
481.32007	10.4
499.33701	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26047	1.3
51.57822	1.3
53.24200	1.4
56.96577	3.4
66.19270	1.2
69.03430	1.6
70.07409	5.8
82.99877	3.1
85.01432	1.8
85.02927	2.6
94.39062	1.4
97.02853	1.7
98.97606	6.1
101.00890	19.8
103.02477	4.1
109.02905	2.1
110.97586	2.1
113.00863	6.4
116.98619	1.4
119.01053	1.9
119.01932	23.4
127.02424	18.4
128.98706	2.0
131.01909	19.8
133.03511	3.7
137.00867	1.3
137.02858	1.5
139.02414	2.2
142.96609	1.4
143.01897	28.4
145.03484	45.0
146.99622	1.8
147.01398	1.8
149.03008	1.9
151.00755	1.3
155.01909	34.3
157.03490	18.5
158.99727	2.8
161.02969	21.5
163.03827	10.0
167.01907	16.6
169.02269	1.5
169.03445	8.0
171.01445	7.8
171.05043	2.6
173.02974	48.8
174.99162	2.5
175.04549	4.2
179.01938	4.5
181.03444	2.6
185.02966	49.1
187.04550	4.7
189.00932	1.9
189.02443	7.7
190.98776	1.7
191.03976	2.3
197.02939	20.0
199.00890	7.1
199.04578	3.2
201.00758	1.7
201.02512	3.4
203.03986	13.7
209.03061	4.9
211.04584	2.6
215.04021	11.5
217.01944	63.6
217.05597	2.5
221.02954	7.7
221.05107	4.6
227.03947	13.0
229.01979	9.7
233.05090	1.5
235.03027	15.9
239.04068	1.8
245.05095	100.0
246.05289	2.4
247.02946	13.6
247.06665	2.4
257.05099	13.8
259.02902	2.1
263.04001	2.3
263.06226	13.3
265.04199	1.9
275.06146	17.7
277.04062	18.7
281.05124	5.8
293.07413	2.7
295.08807	2.3
301.04037	11.6
305.07208	12.7
311.06348	2.6
319.05197	28.3
323.06342	3.2
335.08289	5.8
337.06186	38.5
365.09308	15.5
379.06024	1.7
383.08273	5.6
388.98700	3.9
402.64603	1.5
435.01840	1.6
439.13062	3.7
447.12732	1.4
481.10138	2.4
499.11447	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	30.5
57.03434	3.9
64.28912	2.3
64.33972	3.0
69.03412	5.6
69.94978	2.4
70.06590	6.0
71.51649	3.9
73.02899	3.3
84.04498	2.5
84.96033	6.5
85.01395	2.7
85.02898	8.5
97.02895	7.1
98.97581	53.7
101.00869	19.6
102.96876	2.7
103.02489	2.9
110.07129	3.2
110.97557	23.7
113.00880	6.7
116.98624	19.9
119.01946	28.6
124.99123	3.8
127.02398	17.7
128.98637	19.8
131.00163	3.5
131.01898	19.8
133.03520	4.2
134.99654	4.0
139.02429	5.7
140.98581	6.1
143.00156	7.3
143.01895	32.2
145.03503	47.3
146.99652	9.1
147.01381	5.8
147.04343	3.1
149.01161	4.6
149.02960	3.5
152.98572	4.3
155.01894	39.0
156.98132	9.0
157.03488	19.8
158.99681	22.1
161.01422	4.9
161.03001	27.2
163.03835	28.3
167.01942	14.3
169.03398	5.0
170.99666	14.1
171.01303	6.3
172.46834	2.5
173.02982	65.0
174.99159	26.4
175.04521	3.9
177.00725	22.3
179.01965	6.3
181.03448	3.0
182.99677	6.3
185.02971	54.5
187.04510	8.2
189.00720	11.0
189.02483	10.0
190.98679	3.8
191.04080	4.1
193.00238	18.4
197.02927	16.0
199.00920	9.7
199.04500	3.5
201.00726	23.8
201.02380	4.5
203.04041	18.6
209.02888	6.0
213.00751	3.3
215.03973	13.8
217.00136	10.6
217.01947	57.0
217.03993	4.6
219.01749	26.7
221.01215	2.7
221.02959	17.9
221.05083	10.3
227.04044	17.1
229.01941	11.3
231.01758	5.0
235.00961	5.4
235.03108	15.5
237.02800	22.3
239.02203	13.2
239.06093	3.9
243.01770	7.8
245.02637	6.8
245.05087	100.0
247.03082	14.4
248.04622	2.6
251.00937	2.9
255.03822	5.7
257.05182	10.4
261.02808	22.9
263.03830	5.3
263.06241	12.3
275.03946	2.8
275.06207	24.5
277.04211	25.7
279.03967	7.8
281.05057	10.9
291.03793	4.8
293.04773	3.4
301.04089	14.6
305.07266	15.4
311.06311	4.8
319.05496	27.5
321.04971	11.8
335.08270	4.2
337.06357	37.1
351.06281	4.3
353.03830	8.4
353.07480	4.1
365.05399	21.3
365.09427	11.0
379.05185	5.7
381.06955	4.0
383.08209	13.9
399.07913	3.3
439.13269	3.4
481.08636	10.6
499.11160	68.7
499.26132	3.5
509.81290	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	498.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01880	6.9
55.05505	5.7
57.03438	6.5
57.07080	8.8
59.05007	37.1
61.02919	6.1
67.05503	4.9
68.99780	2.2
69.03432	34.7
69.07072	28.4
69.97179	5.4
69.97551	2.2
71.05007	6.5
71.08613	4.5
73.02570	1.5
73.02906	6.8
73.06553	9.9
77.06038	2.6
79.05492	2.8
81.03420	26.0
81.07067	8.9
83.08637	1.8
85.02910	79.4
85.06545	2.1
85.10165	2.2
87.00835	41.5
87.04474	22.1
91.03956	1.5
93.07046	4.5
95.08635	1.8
97.02301	2.5
97.02898	43.9
97.06522	2.1
99.04468	12.9
105.01875	72.1
105.05508	29.7
107.08625	1.5
109.02888	32.5
109.10138	2.5
111.11729	46.7
115.03883	1.8
117.01840	3.5
117.05447	1.6
123.08089	1.3
123.11710	2.6
127.03929	71.4
129.01836	2.9
129.12764	100.0
133.10149	2.0
135.11766	2.0
138.38179	1.3
145.04976	31.4
147.02878	1.6
149.13333	1.9
159.02888	12.2
159.11693	3.0
177.12758	4.0
189.53259	1.3
195.06615	1.6
213.03972	5.8
215.16478	5.3
231.04991	30.1
233.17514	3.4
243.15924	5.3
249.06055	10.9
251.16322	1.8
269.17456	14.5
344.04630	1.6
359.16898	3.1
422.13501	1.7
437.77911	1.5
498.22073	1.6
498.29413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62172	1.0
56.96562	2.2
61.11142	1.0
70.86571	2.0
82.99857	2.4
86.99315	1.0
89.03911	3.8
91.34656	1.4
94.99837	1.2
98.97576	2.5
101.00881	12.8
103.02468	1.4
105.00386	1.2
110.97580	1.5
113.00874	7.1
117.03391	5.7
119.01931	12.4
127.02436	7.7
131.01918	16.7
133.03508	1.5
135.04417	10.1
137.00940	1.1
139.02399	2.3
143.01913	17.1
145.02599	2.4
145.03647	18.2
149.03008	2.1
155.01900	36.0
157.03476	9.5
158.99591	1.4
161.02969	9.1
163.03912	100.0
164.04253	2.6
167.01927	9.1
169.03520	3.1
171.01396	4.8
173.02979	52.8
174.99135	2.4
175.04459	1.4
177.00719	1.0
179.01935	2.6
185.01277	1.7
185.02965	26.8
187.04515	3.4
189.02463	3.0
191.04025	1.7
193.00175	1.5
193.03453	1.2
196.04527	1.1
197.02982	8.0
199.00963	2.5
199.04462	2.3
201.00688	1.5
203.01904	7.5
203.03992	12.6
209.02969	2.6
215.04033	7.7
216.99956	1.9
217.01949	26.9
219.01776	2.3
221.02985	79.4
221.04973	3.5
227.04111	5.9
229.01953	6.2
233.40538	1.1
235.02979	3.7
239.04013	6.8
239.06171	2.1
245.02910	11.5
245.05096	36.6
247.02580	2.2
247.04527	5.3
247.06828	2.3
257.02811	2.5
257.05072	6.1
261.02835	1.5
263.03958	27.3
263.05923	2.3
275.03873	7.7
275.06421	21.2
277.04077	7.4
279.03815	1.2
281.05087	69.9
291.05756	2.5
293.04944	8.7
299.06058	9.0
300.05960	1.2
301.04443	5.3
304.06631	2.5
305.07211	2.9
311.06128	18.3
319.02924	14.4
319.05536	6.3
323.06183	13.4
335.06256	4.8
337.06409	13.9
351.05777	1.8
353.07227	4.2
365.09100	4.0
379.05112	17.3
383.08258	43.2
391.05063	3.6
397.06186	6.6
409.06198	2.1
486.64304	1.1
499.11340	19.3
504.73056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49347	1.4
56.96567	8.7
58.67234	1.1
59.41668	1.0
69.33490	8.1
81.03408	1.3
82.99867	2.9
84.96019	4.3
85.01421	2.2
86.99312	1.3
94.99857	1.4
96.86636	0.9
97.02906	1.6
98.97587	34.4
98.98211	2.3
101.00882	22.8
103.02452	3.5
109.02939	1.4
110.97582	16.7
113.00866	7.6
115.02500	1.6
116.98646	7.3
119.01932	19.0
124.99151	2.7
127.02430	21.7
128.98610	9.2
129.00356	1.3
129.03955	1.4
129.42342	1.1
131.01912	13.6
133.03458	2.7
139.02443	4.4
140.98610	5.5
143.00241	7.1
143.01900	30.5
145.03473	41.7
146.99657	1.8
147.01401	2.8
152.98587	1.6
153.03967	1.2
155.01900	39.6
156.98094	16.8
157.03496	17.9
158.99677	11.7
161.01283	3.1
161.02975	19.8
163.03883	6.7
167.01889	21.0
169.03453	6.0
170.99673	11.8
171.01398	9.2
171.05052	3.7
173.01450	2.9
173.02971	44.4
174.99167	39.0
175.00700	2.6
175.04448	5.6
177.00774	6.5
179.01866	6.3
181.03520	2.2
182.99690	9.2
183.01433	3.3
183.04974	1.6
185.02974	49.4
187.04570	4.8
189.00740	7.9
189.02489	6.4
191.02249	1.3
191.27638	1.2
193.00233	20.2
193.01921	1.8
195.01591	1.2
197.02977	17.6
198.00732	1.3
199.00893	6.2
199.04636	3.3
201.00735	24.6
201.02458	2.9
203.03998	13.7
209.03091	2.6
211.00903	1.6
213.00681	2.3
215.03984	8.2
217.00166	17.0
217.01990	65.5
218.02068	1.3
219.01756	16.4
219.03632	1.3
221.03238	7.5
221.05106	6.9
227.04037	11.9
229.01974	10.7
229.05583	1.4
231.01767	3.0
233.05157	1.4
235.01154	3.3
235.03148	13.2
237.02901	7.4
239.04037	3.3
243.01743	9.1
245.05086	100.0
247.01202	2.3
247.03171	14.3
247.06718	2.5
257.05112	13.8
261.02814	24.5
263.03870	2.4
263.06201	9.3
265.04285	2.0
273.02805	2.1
275.06189	17.9
277.04251	20.9
279.03909	11.6
281.05121	5.3
288.20041	1.1
291.03836	4.4
293.07306	2.6
295.08640	1.7
301.04364	8.2
305.07196	11.7
311.06192	2.4
319.05557	24.0
321.04980	11.6
333.04953	2.0
335.08344	5.4
337.06451	32.1
351.06049	3.7
361.04233	1.6
365.09314	11.4
379.06195	2.2
381.07117	5.9
383.08279	3.7
399.08148	4.4
439.13245	1.6
481.08701	9.7
499.10791	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	497.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01870	4.7
55.05522	9.2
57.03431	6.2
57.07075	5.3
65.03941	2.0
67.05510	22.3
69.03451	2.1
69.07071	26.5
70.06594	5.4
71.04998	11.3
71.52371	1.4
72.08158	3.2
79.05099	2.2
79.05491	12.5
81.03401	3.6
81.07066	23.3
83.04990	4.6
83.08601	2.2
84.04487	1.3
84.08163	2.5
85.06551	39.5
86.09699	4.4
91.05491	14.9
93.07050	19.9
95.04993	9.3
95.08619	26.5
97.02889	3.2
97.06535	10.6
99.08114	2.7
105.07048	22.7
107.04915	1.7
107.08594	18.8
109.06545	6.0
109.10184	5.3
110.29247	1.5
111.08112	2.8
113.06017	11.4
113.09657	2.2
115.07603	8.1
117.07023	7.2
119.04956	16.6
119.08588	13.8
120.08113	2.4
121.06511	12.0
121.10140	9.7
123.08063	23.2
125.09630	3.8
128.06250	2.8
129.07018	6.3
131.08562	21.6
133.06526	2.5
133.10132	13.6
135.08080	7.6
135.11694	3.0
137.05978	3.5
137.09619	3.3
139.07568	1.8
141.07014	1.8
141.09129	18.7
143.08569	11.5
143.10692	2.5
145.06548	2.3
145.10149	13.6
147.08066	8.5
147.11667	8.5
149.05981	1.9
149.09654	5.1
151.11195	1.9
155.08574	9.4
156.09402	2.4
157.10126	9.4
159.08086	10.5
159.10190	6.0
159.11719	10.1
161.09662	4.6
161.13298	2.7
163.11186	4.1
165.12779	1.9
166.13097	1.6
167.08638	2.2
168.09332	2.1
169.10175	6.7
171.08066	5.8
171.11711	6.5
173.09627	19.1
173.13298	5.0
174.98477	1.3
175.11227	6.1
179.08617	3.8
179.10672	1.6
181.10155	9.1
181.12244	3.0
182.10976	2.0
182.15529	1.7
183.08130	1.8
183.11649	10.2
185.09694	4.9
185.13309	5.1
187.11189	6.8
189.09142	3.7
191.10648	8.3
193.10223	2.1
193.12260	4.2
195.11734	9.3
197.09575	3.6
197.13350	10.2
199.11127	7.4
201.12759	8.1
203.14375	1.7
205.10274	1.9
207.11700	5.3
208.12529	2.2
209.13295	4.7
211.11226	2.4
211.14781	2.1
213.12772	8.5
215.14360	4.5
221.13277	3.9
223.11208	3.0
223.14784	10.9
225.12787	7.6
225.16327	3.1
227.14384	4.2
229.15979	1.6
231.13780	2.6
233.13229	1.5
235.14838	2.8
237.16313	8.6
239.14276	2.2
239.18053	2.3
241.15904	3.3
243.13803	1.8
247.14899	4.2
247.55472	1.7
249.16498	3.1
251.18098	2.3
253.15938	3.0
255.17439	3.0
263.14212	1.7
265.15945	18.1
265.18716	2.3
267.17667	6.8
267.20224	1.5
269.18973	1.9
271.17087	2.0
277.19781	1.9
280.25385	1.4
281.15439	2.1
283.17001	23.2
285.18552	11.4
293.19104	5.9
295.20554	4.2
301.18152	2.4
311.16660	2.2
311.19916	7.3
313.21652	5.5
321.18475	1.8
329.21359	1.9
335.20160	4.6
337.21762	1.9
339.19470	2.1
349.21765	2.5
353.21133	21.4
355.22775	5.2
365.24951	2.6
367.22714	7.3
371.22415	2.8
379.25806	3.3
389.24799	6.4
397.27539	2.1
407.25839	28.2
411.19934	1.9
425.26898	54.1
443.27969	44.3
453.20981	4.3
461.29037	41.4
479.30109	13.7
497.20224	15.8
497.31152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01870	4.7
55.05522	9.2
57.03431	6.2
57.07075	5.3
65.03941	2.0
67.05510	22.3
69.03451	2.1
69.07071	26.5
70.06594	5.4
71.04998	11.3
71.52371	1.4
72.08158	3.2
79.05099	2.2
79.05491	12.5
81.03401	3.6
81.07066	23.3
83.04990	4.6
83.08601	2.2
84.04487	1.3
84.08163	2.5
85.06551	39.5
86.09699	4.4
91.05491	14.9
93.07050	19.9
95.04993	9.3
95.08619	26.5
97.02889	3.2
97.06535	10.6
99.08114	2.7
105.07048	22.7
107.04915	1.7
107.08594	18.8
109.06545	6.0
109.10184	5.3
110.29247	1.5
111.08112	2.8
113.06017	11.4
113.09657	2.2
115.07603	8.1
117.07023	7.2
119.04956	16.6
119.08588	13.8
120.08113	2.4
121.06511	12.0
121.10140	9.7
123.08063	23.2
125.09630	3.8
128.06250	2.8
129.07018	6.3
131.08562	21.6
133.06526	2.5
133.10132	13.6
135.08080	7.6
135.11694	3.0
137.05978	3.5
137.09619	3.3
139.07568	1.8
141.07014	1.8
141.09129	18.7
143.08569	11.5
143.10692	2.5
145.06548	2.3
145.10149	13.6
147.08066	8.5
147.11667	8.5
149.05981	1.9
149.09654	5.1
151.11195	1.9
155.08574	9.4
156.09402	2.4
157.10126	9.4
159.08086	10.5
159.10190	6.0
159.11719	10.1
161.09662	4.6
161.13298	2.7
163.11186	4.1
165.12779	1.9
166.13097	1.6
167.08638	2.2
168.09332	2.1
169.10175	6.7
171.08066	5.8
171.11711	6.5
173.09627	19.1
173.13298	5.0
174.98477	1.3
175.11227	6.1
179.08617	3.8
179.10672	1.6
181.10155	9.1
181.12244	3.0
182.10976	2.0
182.15529	1.7
183.08130	1.8
183.11649	10.2
185.09694	4.9
185.13309	5.1
187.11189	6.8
189.09142	3.7
191.10648	8.3
193.10223	2.1
193.12260	4.2
195.11734	9.3
197.09575	3.6
197.13350	10.2
199.11127	7.4
201.12759	8.1
203.14375	1.7
205.10274	1.9
207.11700	5.3
208.12529	2.2
209.13295	4.7
211.11226	2.4
211.14781	2.1
213.12772	8.5
215.14360	4.5
221.13277	3.9
223.11208	3.0
223.14784	10.9
225.12787	7.6
225.16327	3.1
227.14384	4.2
229.15979	1.6
231.13780	2.6
233.13229	1.5
235.14838	2.8
237.16313	8.6
239.14276	2.2
239.18053	2.3
241.15904	3.3
243.13803	1.8
247.14899	4.2
247.55472	1.7
249.16498	3.1
251.18098	2.3
253.15938	3.0
255.17439	3.0
263.14212	1.7
265.15945	18.1
265.18716	2.3
267.17667	6.8
267.20224	1.5
269.18973	1.9
271.17087	2.0
277.19781	1.9
280.25385	1.4
281.15439	2.1
283.17001	23.2
285.18552	11.4
293.19104	5.9
295.20554	4.2
301.18152	2.4
311.16660	2.2
311.19916	7.3
313.21652	5.5
321.18475	1.8
329.21359	1.9
335.20160	4.6
337.21762	1.9
339.19470	2.1
349.21765	2.5
353.21133	21.4
355.22775	5.2
365.24951	2.6
367.22714	7.3
371.22415	2.8
379.25806	3.3
389.24799	6.4
397.27539	2.1
407.25839	28.2
411.19934	1.9
425.26898	54.1
443.27969	44.3
453.20981	4.3
461.29037	41.4
479.30109	13.7
497.20224	15.8
497.31152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01878	0.9
55.05504	3.6
57.03444	4.1
60.32405	0.8
61.02938	1.1
67.05514	13.3
67.05847	1.6
69.03420	5.3
69.07063	2.4
70.06615	1.3
70.51735	0.7
70.66504	1.0
70.66838	1.2
71.04991	2.2
79.05500	8.8
81.03429	16.4
81.07063	47.8
83.04992	3.4
83.08630	6.4
85.02919	9.5
85.06567	1.0
86.09697	1.0
87.04477	0.9
91.05497	10.7
93.07058	9.4
95.04974	6.4
95.08065	1.4
95.08618	17.3
97.02892	2.9
97.06512	2.3
104.07148	0.8
105.07042	21.9
107.04944	1.3
107.08614	11.1
109.02909	0.9
109.06560	3.7
109.10162	2.1
111.08089	1.5
119.08593	11.8
121.10158	15.0
123.08076	0.9
123.11714	36.9
127.03947	1.0
127.07598	0.8
129.07034	0.9
131.08578	1.7
133.10129	2.3
137.09695	0.8
137.13278	9.0
145.10207	0.7
147.11699	43.8
149.09618	0.8
157.01814	0.7
157.10179	1.6
165.12767	100.0
175.11226	2.3
179.10625	0.8
183.13828	6.3
193.12273	11.5
211.13235	1.0
225.11218	1.6
267.15915	8.9
285.14081	1.2
285.17007	16.1
299.14938	11.6
309.17105	1.2
333.86600	0.9
429.21646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
56.05037	0.5
57.03429	0.2
57.07076	0.7
58.06632	0.6
59.07396	0.1
60.08165	5.8
67.05524	0.2
69.07059	0.2
70.06594	0.1
71.07375	2.6
71.08624	0.4
71.53296	0.1
81.07059	0.4
85.10172	0.3
86.09707	28.5
93.07010	0.2
95.08607	0.3
98.98463	2.6
101.12133	0.1
104.10741	3.1
125.00005	20.4
143.01044	0.1
184.07341	100.0
185.07732	0.2
193.03760	0.1
254.98215	0.1
258.11035	0.2
271.76715	0.1
302.36072	0.1
313.27332	0.2
478.32965	1.1
496.33945	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	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05030	0.8
57.03423	0.6
57.07082	3.2
58.06610	1.4
60.08168	16.6
63.57114	0.3
67.05503	0.8
69.07071	0.6
69.51091	2.6
71.07382	5.6
71.08639	2.4
81.07037	0.6
83.08623	0.5
83.97670	0.4
85.10181	0.9
86.09713	47.6
90.08303	0.4
92.25355	0.4
95.08622	0.9
98.98489	3.0
104.10752	99.2
122.76797	0.4
125.00018	26.8
163.01631	0.7
166.84207	0.4
184.07353	100.0
258.11066	1.1
313.27469	1.9
419.25067	0.5
478.33005	9.3
481.86887	0.4
496.34021	38.0
497.34097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27433	2.5
53.03953	3.2
55.05510	14.0
57.03428	10.9
57.07059	5.5
59.04972	2.9
65.03921	2.7
67.05513	100.0
69.07047	8.2
71.04984	3.9
71.08648	4.3
71.21653	2.8
71.53551	4.3
74.94319	3.0
79.05496	32.2
81.03356	3.3
81.07060	35.6
83.08622	7.6
88.04358	2.7
89.06042	15.3
91.05495	19.1
93.07037	28.4
95.04974	3.3
95.08620	27.3
105.04356	2.7
105.07046	9.0
107.08596	15.1
109.10163	67.0
111.08073	5.1
117.07012	3.7
119.08576	10.9
121.10116	18.8
131.08565	6.8
133.08627	8.2
133.10100	6.0
135.11728	14.2
137.09563	3.9
145.10103	5.2
149.13225	6.9
155.10640	6.7
159.11740	3.3
173.11751	19.9
215.17986	9.4
229.14391	89.8
233.18974	10.9
283.17496	10.5
307.22690	91.9
335.12085	3.0
416.30078	3.5
461.32535	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	497.311
Annotation	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide
Peak:m/z	Relative Intensity
50.50153	0.6
53.03947	2.3
55.01873	2.0
55.05515	5.8
57.03426	1.5
63.99504	0.8
65.03925	1.1
67.05504	8.4
69.03431	1.7
69.07069	52.9
69.71164	4.4
71.04987	2.3
71.08633	0.9
79.05492	15.6
81.07057	63.3
82.89447	0.6
83.04979	2.9
83.08619	1.5
84.57094	0.8
85.06523	1.1
89.29665	0.6
91.05473	11.6
93.07049	14.0
95.04964	20.9
95.08610	8.1
97.06531	19.2
97.10179	3.0
98.21483	1.4
99.04457	3.7
99.08095	24.1
105.07024	15.9
105.07676	0.9
107.04948	3.7
107.08595	33.0
109.06509	4.6
109.10145	7.8
111.08088	2.5
113.09636	1.0
115.05495	1.6
117.07002	4.5
119.04954	1.0
119.08572	12.3
121.06519	8.0
121.10136	6.8
123.04412	1.3
123.08057	9.6
123.11702	2.5
125.06010	0.9
125.09629	45.2
127.11195	7.0
128.06238	2.7
129.07051	3.5
130.07779	1.0
131.04955	1.7
131.08566	14.2
133.06491	1.9
133.10112	7.9
135.04430	4.1
135.08058	4.5
135.11705	4.8
137.05995	1.8
137.09645	1.6
139.07515	1.0
141.06990	1.9
142.07767	2.3
143.08572	10.2
143.10672	19.9
144.09300	0.9
145.06454	6.2
145.10121	7.6
146.07257	0.8
147.08047	11.0
147.11661	5.1
149.06024	1.5
149.09566	4.2
149.13292	3.9
151.07552	1.1
153.07034	0.9
154.01376	0.8
155.08588	4.2
157.06555	2.4
157.10126	8.5
158.07233	0.8
159.08043	7.8
159.11699	6.9
161.05933	1.1
161.09610	11.4
161.13319	2.2
163.07494	2.2
163.11186	1.2
165.07036	1.3
165.12759	12.5
166.07767	1.0
167.08582	2.4
168.09369	1.2
169.10101	5.3
171.08064	16.0
171.11708	5.3
173.09615	13.0
173.13289	3.3
175.07504	1.5
175.11209	4.1
177.09142	1.9
177.12781	2.4
178.07716	0.8
179.08566	1.9
179.14384	1.0
180.09338	2.0
181.06531	0.9
181.10109	6.1
182.10828	1.0
183.08083	2.5
183.11737	6.0
184.08823	1.4
185.09622	6.4
185.13235	3.4
187.07550	2.6
187.11215	3.9
189.09123	19.9
189.12744	4.9
191.08665	0.9
191.10680	2.3
193.10181	4.1
194.10875	1.4
195.08044	1.3
195.11774	6.3
197.09677	5.7
197.11278	0.8
197.11580	0.8
197.13232	5.9
198.10387	1.0
199.07620	0.8
199.11180	12.4
199.14861	1.8
200.11940	0.8
201.09099	2.4
201.12770	9.1
203.10608	4.0
203.14313	1.1
205.10220	2.1
205.12279	3.0
206.10936	1.4
207.10181	6.4
207.11818	1.4
209.09595	1.5
209.13228	4.1
210.10307	1.1
211.11349	4.2
211.14868	3.5
213.09177	1.4
213.12733	6.6
215.10693	1.8
215.14268	1.3
217.12341	0.9
217.15855	0.9
218.11052	1.2
219.11778	1.1
219.17365	0.9
220.12428	0.8
221.09764	1.0
221.13277	5.7
223.11160	4.9
223.14828	2.7
225.12767	3.6
225.16347	1.3
227.10762	1.7
227.14278	5.2
229.12262	5.4
229.15906	3.3
231.13805	4.8
233.13341	1.7
235.11223	1.7
235.14772	4.5
237.12732	3.6
237.16388	2.0
239.10732	1.2
239.14365	5.8
241.12199	3.5
241.15880	4.4
243.13841	1.7
245.15442	1.1
248.12164	0.9
249.16400	2.3
251.14380	3.3
251.18045	1.7
253.12228	1.9
253.15895	5.0
255.13904	2.6
255.17436	2.7
257.15366	2.0
259.13226	1.4
263.14334	5.7
265.14349	2.5
265.16467	1.0
265.19391	0.9
267.17487	1.7
269.15396	13.5
269.18939	2.4
271.16986	1.2
279.13754	1.0
281.15359	13.7
281.18567	1.8
283.16959	13.8
283.20374	1.1
285.18631	1.5
291.17542	2.6
293.15463	2.4
293.19080	3.4
295.16965	1.0
299.16431	6.4
301.17966	9.1
305.19098	1.0
307.20551	1.8
309.18570	7.3
311.16440	3.4
311.20093	9.3
313.17932	1.1
317.17456	2.0
319.18994	4.6
323.20221	1.3
325.21603	8.2
327.19531	4.1
329.21069	2.4
333.18527	2.3
335.18573	2.7
339.19525	1.7
343.22650	9.6
345.20630	1.3
347.23224	0.8
347.77948	0.8
349.21725	1.8
351.19562	26.4
361.25317	1.0
363.21558	4.2
365.24792	2.4
367.22775	3.4
369.20575	21.1
381.24490	0.9
383.25720	4.0
385.23788	2.5
387.21622	9.2
389.24893	6.2
397.27576	1.0
407.25806	23.3
425.26865	47.1
443.27908	52.1
461.29028	22.4
479.30011	9.8
497.31107	100.0
498.31241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Herkesterone
Peak:m/z	Relative Intensity
55.01871	3.8
55.05509	6.6
57.03432	9.0
57.07069	6.5
60.85939	1.9
62.21078	1.9
63.06760	2.0
67.05514	18.9
67.15907	1.7
69.07076	53.4
69.33229	10.3
69.33631	5.0
70.06595	8.5
71.04990	9.1
72.08150	3.8
73.06563	2.9
79.05492	8.0
81.07063	15.4
83.04968	4.4
84.08160	4.3
85.06551	35.9
86.09719	7.0
91.05473	9.8
93.07047	13.6
93.28462	2.4
95.04980	29.9
95.08607	17.5
97.06541	15.5
97.10151	2.7
99.04440	3.9
105.07027	15.1
107.04977	7.2
107.08582	8.6
109.06519	5.1
109.10139	3.3
113.06020	12.4
115.07561	19.1
116.34721	1.8
117.07034	4.6
119.04981	3.7
119.08616	10.7
120.08127	5.3
121.06512	4.8
121.10172	4.8
123.08113	12.3
123.11687	2.2
128.06233	3.8
129.07005	6.6
131.04916	5.4
131.08527	10.2
133.10156	5.5
135.04463	9.9
135.08063	4.2
137.06010	9.7
141.07027	3.8
141.09131	11.3
143.08546	14.2
143.10704	4.0
145.06491	5.0
145.10100	9.5
147.08066	7.8
147.11740	4.3
153.07053	2.8
155.08569	9.4
157.06577	2.5
157.10115	7.5
159.08069	8.3
159.10199	5.3
159.11700	8.0
161.09671	6.9
163.11171	3.2
165.07036	3.2
167.08485	2.8
168.93907	1.9
169.10188	11.1
171.08072	17.2
171.11707	8.1
173.09660	6.9
173.13152	3.4
175.11330	2.5
179.08554	4.7
180.09355	3.4
181.10139	11.1
181.12172	2.9
183.08134	4.4
183.11731	6.8
184.08827	2.3
185.09644	7.3
185.13266	2.6
187.11206	2.4
189.09126	16.9
192.09517	2.7
193.10181	8.7
193.12225	2.3
195.08109	4.0
195.11769	9.3
196.09056	2.5
197.09631	15.1
197.13293	6.8
199.11185	61.1
199.14835	3.0
201.12770	5.1
204.32451	2.2
205.10298	2.6
207.08298	1.9
207.10101	4.9
207.11769	5.5
208.08684	2.5
209.09621	3.9
209.13348	5.5
210.10432	2.4
211.11275	6.2
211.14925	3.7
213.12704	7.4
219.11726	3.7
221.09546	2.8
221.13309	7.3
223.11206	17.0
223.14740	3.5
224.12015	3.9
225.12779	8.9
227.10646	2.6
227.14406	6.1
229.12204	4.2
229.15837	4.0
230.10889	2.3
233.09650	2.7
233.13280	4.4
235.11131	2.2
235.14819	5.5
237.12804	6.6
237.16429	2.4
239.14333	22.7
241.12270	7.1
241.15862	2.9
245.13293	2.8
247.11070	2.3
249.12755	3.3
251.14320	9.0
251.17963	1.9
253.15977	9.1
259.15216	2.9
261.12793	3.0
261.16464	2.6
262.13684	2.3
263.14301	10.5
265.16052	4.7
267.17383	3.2
269.15323	3.0
269.19174	2.4
271.17047	4.4
277.15851	2.5
279.13895	4.9
281.15396	47.9
281.18561	4.1
282.16171	3.1
283.17081	3.6
291.17520	3.0
293.19083	3.0
297.14999	3.3
299.16470	19.7
307.16608	2.5
309.18436	10.5
311.20096	8.0
317.17484	63.7
323.20120	4.2
327.19586	20.6
329.21124	3.7
341.21039	12.3
345.20758	6.3
355.18982	2.3
359.22446	3.8
365.21228	4.3
369.20764	2.7
377.23352	5.5
381.24234	3.9
383.22369	5.8
387.22821	3.2
399.25577	2.6
401.23315	7.6
405.23962	11.7
419.24289	4.4
423.25339	32.9
441.26437	39.2
459.27457	99.0
477.28494	41.0
480.65973	2.1
495.29575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.01847	1.3
55.05518	4.6
56.05042	3.5
57.03395	2.4
60.04531	82.5
60.04964	2.2
61.02901	1.8
67.05513	10.2
68.05006	0.8
69.03435	8.1
69.07078	5.7
69.77647	3.2
70.06548	3.4
71.04970	1.7
71.08622	0.9
72.04474	3.1
72.08116	1.8
73.02898	1.6
74.06062	3.8
79.05497	9.2
79.74976	0.7
80.04992	1.1
81.03431	6.6
81.07061	12.7
82.06528	2.6
82.08361	0.7
83.04945	1.1
83.08577	2.3
84.04463	2.2
84.08108	0.8
84.67135	0.8
85.02910	22.8
86.06029	2.4
86.09660	1.3
87.04479	1.0
88.11240	1.8
90.05520	1.4
91.05481	6.0
93.07056	8.2
94.06544	1.5
94.38810	0.8
95.04929	2.9
95.08095	0.7
95.08610	10.1
96.08084	1.9
97.02898	7.9
97.06472	0.8
97.10132	1.4
98.06015	1.0
99.04400	3.2
102.05501	2.6
103.03893	1.0
103.05436	1.0
104.07053	2.5
105.07026	3.5
107.04947	1.2
107.08589	3.7
108.08056	0.9
109.02837	3.1
109.06488	1.9
109.10140	4.1
111.04446	1.1
112.47171	0.8
117.07023	1.0
119.08559	4.0
120.08085	1.3
121.06460	3.0
121.10154	5.1
122.06787	1.4
122.09628	0.8
123.11646	2.0
125.09605	1.0
127.03912	4.6
131.08543	1.6
133.10078	2.6
135.08020	1.6
135.11650	3.3
137.05911	2.3
138.06203	0.9
145.04936	2.1
145.10112	1.5
147.04326	1.0
147.11618	2.0
149.13264	1.0
161.13290	0.7
170.08182	0.7
175.07506	0.8
175.14812	0.9
188.09230	0.8
201.05649	0.9
206.10181	1.3
211.17009	5.3
224.11253	2.2
248.23689	1.3
254.24838	2.2
260.23688	1.9
266.24591	1.0
278.24811	6.4
293.17374	0.9
296.25897	8.3
297.16995	1.3
314.26926	17.6
332.27969	100.0
356.28433	0.9
374.29047	2.8
440.30054	1.8
458.31168	2.0
476.32455	3.4
494.20859	1.9
494.33282	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60947	1.1
53.03944	4.9
55.05516	23.7
55.32526	1.0
57.03442	12.4
59.04989	1.8
61.65057	0.9
65.03932	2.7
66.26199	1.0
66.92699	1.0
67.05508	33.6
69.03431	5.4
69.07071	10.7
69.44868	5.3
69.45292	2.6
70.06622	1.1
71.04995	6.0
71.90475	1.0
79.05024	1.0
79.05496	32.6
81.03423	68.4
81.07063	39.5
83.04988	16.0
83.08158	2.0
83.08627	27.1
83.09123	1.5
85.02911	33.6
85.06523	2.6
85.82845	1.0
88.83518	1.0
91.05484	41.5
93.07047	24.2
94.07387	1.1
95.04971	33.6
95.08607	16.0
97.02903	5.3
97.06535	7.2
97.10168	6.1
99.04458	1.8
99.08091	1.7
103.05511	1.2
105.07037	30.7
107.04967	8.5
107.08601	11.1
109.06523	7.0
109.10161	7.3
111.04454	4.4
111.08087	13.2
113.06017	4.2
113.88779	1.0
115.05396	1.2
117.07051	4.3
119.08595	25.8
121.06501	2.6
121.10152	14.3
123.08082	3.2
123.11711	2.4
125.06013	1.2
125.09648	2.9
127.04015	1.3
127.07589	1.2
129.07027	13.0
131.08577	16.4
133.06502	4.6
133.10133	14.4
135.08055	2.2
135.11694	1.9
137.09639	3.5
142.07813	3.2
143.08597	1.1
145.06526	1.2
145.10168	4.6
147.08063	4.3
147.11684	21.6
149.09634	7.7
149.13226	2.4
157.10123	15.9
159.11670	2.3
163.11182	2.8
165.09145	9.9
165.12811	5.0
166.09444	1.8
171.11673	1.7
173.13284	1.9
175.11191	15.4
189.11282	2.4
191.10634	1.1
191.14392	1.1
193.12260	58.3
194.12643	1.3
211.13300	82.2
227.12822	2.5
253.14404	1.9
267.15924	16.1
283.15582	1.1
285.17108	5.2
294.46796	1.1
312.14474	1.1
359.22037	1.7
367.22656	2.2
385.23914	3.9
403.24771	4.0
421.25955	2.0
451.26984	2.6
459.27478	5.4
477.28629	14.8
495.29572	100.0
496.29132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
55.01865	1.0
55.05507	1.7
55.96687	0.3
57.03428	0.8
59.04985	0.6
60.45758	0.3
61.02925	0.6
67.05517	2.9
69.03447	1.7
69.03751	0.4
69.06719	0.5
69.07060	2.8
70.06596	0.9
71.04990	3.3
71.51842	0.4
72.08146	0.8
73.02905	0.3
79.05494	1.4
81.03426	2.0
81.07062	3.8
83.04975	0.8
83.08614	1.0
84.08138	0.3
85.02930	2.9
85.06552	7.4
86.09701	0.8
87.00835	1.1
91.05478	1.7
93.07052	6.2
95.04955	0.4
95.08621	5.2
97.02890	1.0
97.06534	0.6
99.04452	0.9
99.08111	4.4
101.72646	0.3
105.01869	0.8
105.07011	1.6
107.08601	7.1
109.02892	1.2
109.06531	0.4
109.10164	14.0
111.08080	1.0
111.11723	0.3
113.05989	1.1
119.08597	4.4
120.08089	0.8
121.06527	0.5
121.10177	2.7
123.08097	0.7
123.11702	2.8
127.03902	1.2
127.11238	1.7
133.10150	3.4
135.11703	20.4
137.09604	1.4
139.11195	0.8
141.73235	0.4
145.04944	0.5
145.10188	0.4
147.11703	0.8
149.13266	5.8
151.11140	0.8
151.14819	1.0
153.11526	0.7
153.12758	12.7
165.12782	0.6
167.14360	1.6
175.14838	9.4
193.15901	2.3
211.16943	100.0
212.17322	0.9
233.55176	0.3
241.08575	0.5
274.04254	0.5
283.15466	0.4
288.06036	0.4
316.05518	1.3
317.06168	2.4
331.08121	3.5
332.04822	0.7
332.08511	9.5
332.12466	0.5
440.24588	0.7
458.25644	1.0
476.26938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.05025	0.3
57.03425	0.3
57.07067	0.3
58.06610	0.4
58.08998	0.3
60.07885	0.4
60.08166	5.4
67.05489	1.0
69.07062	0.7
70.11526	0.8
71.07381	2.9
79.05480	0.7
81.07049	0.8
83.08626	0.4
86.09710	28.7
88.07651	0.3
91.05450	0.3
93.07030	0.3
95.08624	0.4
98.20809	0.3
98.98466	2.4
102.09216	0.3
103.02210	0.2
104.10751	4.1
115.40244	0.3
125.00010	19.3
131.08553	0.3
149.02361	0.7
184.07350	100.0
185.07915	0.3
193.05020	0.6
237.07578	1.0
258.11224	0.3
284.29446	0.6
441.26199	0.3
459.27252	0.6
476.31396	1.1
494.32343	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.05025	0.3
57.03425	0.3
57.07067	0.3
58.06610	0.4
58.08998	0.3
60.07885	0.4
60.08166	5.4
67.05489	1.0
69.07062	0.7
70.11526	0.8
71.07381	2.9
79.05480	0.7
81.07049	0.8
83.08626	0.4
86.09710	28.7
88.07651	0.3
91.05450	0.3
93.07030	0.3
95.08624	0.4
98.20809	0.3
98.98466	2.4
102.09216	0.3
103.02210	0.2
104.10751	4.1
115.40244	0.3
125.00010	19.3
131.08553	0.3
149.02361	0.7
184.07350	100.0
185.07915	0.3
193.05020	0.6
237.07578	1.0
258.11224	0.3
284.29446	0.6
441.26199	0.3
459.27252	0.6
476.31396	1.1
494.32343	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.05027	0.3
57.03443	0.3
58.06596	0.4
59.85077	0.2
60.07896	0.3
60.08169	6.3
67.05505	0.6
67.85754	0.2
69.07057	0.7
71.07382	3.0
71.52346	0.4
73.08777	0.3
81.07047	0.4
83.08636	0.6
86.09711	29.2
86.35925	0.3
91.05495	0.3
95.08610	0.3
97.10197	0.3
98.98463	2.4
104.10754	3.7
107.21439	0.3
125.00015	20.9
130.06224	0.2
140.05138	0.2
149.02208	0.3
184.07349	100.0
311.25757	0.3
353.26904	0.3
469.43759	0.3
476.31360	1.5
494.32413	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	493.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	1.3
55.05513	3.2
55.96918	0.5
57.03431	0.7
57.07082	0.6
67.05510	8.4
69.03419	0.6
69.07082	2.7
69.74565	0.5
71.04997	1.1
71.52604	0.8
79.05508	5.1
81.03424	5.6
81.07068	8.5
81.34904	0.5
83.04984	2.1
83.08613	2.4
85.02912	1.4
85.06549	0.8
87.00837	0.7
91.05490	6.0
91.22452	0.6
93.07046	5.1
95.04998	3.4
95.08614	5.8
95.12163	0.6
97.02901	0.8
97.06539	1.1
97.10167	1.0
102.83900	0.5
105.07042	4.0
107.04967	2.5
107.08627	3.4
109.06488	0.8
109.09560	0.7
109.10181	6.5
111.04487	0.6
111.08115	0.8
113.14132	0.6
117.07030	1.3
119.08605	4.9
121.06539	1.4
121.10165	2.9
122.07294	2.4
123.08073	0.8
123.11700	1.8
125.09641	1.2
129.06999	1.3
131.08559	2.2
133.10156	1.3
135.08029	1.3
135.11690	2.9
137.06013	0.7
137.09621	10.7
143.08635	0.6
145.10143	2.1
147.08058	0.8
147.11688	1.3
149.09622	1.8
151.11281	0.7
151.14890	0.7
157.10153	1.3
159.11725	0.6
163.11191	2.5
165.09132	100.0
166.09418	0.6
171.11699	0.9
175.11154	1.0
177.09131	0.7
179.10715	1.1
191.10727	1.1
193.12254	2.6
205.12248	2.6
209.11758	1.7
211.13322	1.7
213.12833	0.8
227.12772	2.9
247.76047	0.6
249.14830	0.7
267.15936	2.4
283.15073	1.3
323.25839	1.3
349.20230	0.6
354.23746	0.6
365.21033	0.7
383.22424	1.0
401.23154	1.8
475.26831	3.0
475.33685	1.1
493.28491	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	493.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35670	0.9
55.01866	0.8
55.05519	1.2
56.05040	22.7
56.17765	0.8
57.03432	1.5
58.06595	1.8
59.14864	0.7
59.76686	0.8
59.94093	0.8
61.01155	19.2
61.86167	0.8
68.05024	1.3
69.03451	4.9
69.07067	1.4
70.03775	1.2
70.06596	13.7
71.51639	1.8
72.08150	4.9
73.02899	1.1
74.06086	6.7
81.03411	1.6
81.07052	1.3
82.06566	1.2
84.04514	9.8
84.08161	4.6
85.02909	4.5
86.03209	1.1
86.06062	1.4
86.09711	100.0
87.04444	3.6
91.05462	1.8
94.64236	1.0
95.06059	1.3
96.04487	1.0
96.65880	0.8
97.02885	4.6
98.03201	1.4
98.06017	1.1
98.09685	0.9
98.97599	1.3
101.07144	6.3
102.05544	3.4
104.05333	26.6
104.07111	1.0
106.85833	1.0
108.20452	0.8
109.02859	1.0
112.03966	1.4
112.07616	28.3
115.03932	3.9
116.04279	1.1
116.07104	1.2
120.08085	2.9
121.10190	0.9
124.11216	1.2
129.10251	2.1
130.05006	4.1
133.04965	4.1
134.05348	1.4
135.04433	1.0
136.07559	1.9
139.08643	1.9
141.13846	2.1
142.12294	2.2
143.11787	2.2
145.02875	2.0
147.04448	2.5
148.06055	17.3
157.09767	1.4
160.07924	39.9
163.03891	8.4
163.11180	2.1
164.04268	6.4
167.08148	1.8
169.13367	3.4
171.11453	0.9
177.05466	1.7
178.05852	0.9
181.04977	4.7
182.05330	3.0
187.09036	2.1
187.14424	21.9
188.07416	1.0
189.07059	1.2
197.12862	3.5
198.05867	2.6
205.10066	10.9
215.08507	27.8
215.13943	9.9
233.09604	14.4
243.13472	1.2
261.14471	61.9
279.13824	1.2
300.17313	1.6
324.11685	1.5
328.16925	32.5
344.18076	1.4
346.18063	6.4
354.17087	1.1
362.19318	6.5
372.17749	1.3
449.19608	1.1
475.22412	5.3
490.16180	1.2
493.15448	1.8
493.23361	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	493.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.7
55.01866	8.9
55.05508	29.2
57.03439	12.0
57.07056	7.7
67.05511	49.4
69.03419	7.9
69.07079	25.9
69.41742	12.5
69.42144	24.5
70.06602	5.7
71.04985	6.6
72.22278	5.4
73.02927	6.5
76.44600	5.2
79.05499	59.7
81.03409	53.3
81.07063	89.1
83.04993	19.7
83.08621	23.5
85.02917	8.3
85.06542	8.6
85.65517	5.4
91.05489	65.0
93.07050	59.4
95.04981	29.7
95.08612	43.9
97.02898	10.2
97.06530	14.9
97.10190	13.5
98.21559	10.7
99.04442	10.8
105.07024	65.9
107.04961	19.5
107.08599	58.1
109.06503	18.9
109.10174	23.0
111.04451	18.3
111.08082	13.3
117.07030	17.0
119.08588	45.4
121.06512	8.4
121.10169	37.1
123.08083	12.5
123.11726	8.6
125.09721	7.5
129.07030	18.5
131.08583	42.2
133.10150	42.8
135.08087	9.5
135.11693	20.4
137.09554	7.8
139.07527	7.3
143.08606	12.5
145.06500	7.9
145.10146	39.7
147.11674	30.8
149.09633	9.3
149.13234	5.8
151.11188	6.4
157.10143	28.0
159.11729	33.1
159.56938	5.5
161.09682	8.1
161.13263	9.4
163.11201	17.5
165.09125	18.0
165.12688	5.8
169.10107	11.2
171.11743	15.5
173.09581	4.9
173.13229	12.7
175.11198	11.7
175.14821	6.7
181.12302	5.9
183.11705	8.9
185.13280	14.1
187.14919	6.9
191.10724	15.3
193.12224	25.5
196.67221	5.6
197.13248	10.0
199.14880	17.1
205.12265	7.3
209.11678	7.5
211.13199	9.9
211.14964	8.4
213.16437	15.7
217.15948	8.7
223.13248	6.7
225.16391	8.2
227.12794	23.0
229.19708	8.0
267.15952	16.5
267.21289	7.0
269.77707	5.3
281.22733	6.1
307.24197	14.7
325.25345	28.1
335.23724	10.5
343.26193	13.4
353.24713	25.8
371.25873	6.8
426.87021	7.1
457.25864	100.0
461.28378	11.0
475.26700	27.0
493.27509	65.4
495.24295	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	493.1349
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.02385	0.2
53.03935	0.5
55.01888	0.5
55.05504	0.7
57.03443	0.4
59.05011	0.3
61.02932	1.7
65.45820	0.2
67.05500	0.9
68.39294	0.2
69.03442	1.2
69.07072	0.6
70.06597	1.3
70.06913	0.2
71.04992	0.3
71.52389	0.3
72.08158	1.1
73.02916	0.7
79.05484	0.9
81.03414	1.1
81.07070	1.1
83.04989	0.4
83.08622	0.3
84.04512	0.4
84.08156	0.5
85.02907	2.1
85.06523	0.2
86.09716	1.5
87.04531	0.3
91.03975	0.7
91.05488	1.3
93.07053	0.8
95.04970	0.9
95.08602	1.0
97.02890	1.3
97.06544	0.5
99.04456	0.4
99.08077	0.4
103.05450	0.3
105.07032	0.7
106.02940	0.5
107.04950	0.5
107.08578	0.6
109.02886	0.7
109.10146	0.5
116.07083	0.4
117.07015	0.3
119.08595	0.6
120.08135	1.4
121.02910	0.3
121.06523	0.8
121.10159	0.7
123.08122	1.1
123.11739	0.3
124.03962	0.7
125.09610	0.3
127.03896	0.6
129.06944	0.3
133.10141	0.9
135.08087	0.3
135.11711	0.3
136.07585	0.4
137.02344	1.2
137.05994	0.9
137.09604	0.3
138.09109	0.5
145.04984	0.3
145.06490	0.3
145.10144	0.4
147.08028	0.3
147.11668	0.3
149.09644	0.4
150.39070	0.2
154.51479	0.2
157.10156	0.3
157.66959	0.2
159.08049	0.5
159.11607	0.2
163.11232	0.4
164.07053	0.4
166.08635	0.4
167.03418	0.7
167.07115	0.6
169.10213	0.2
171.11803	0.3
173.06030	0.4
174.36855	0.2
175.11255	0.3
177.05479	0.3
181.05054	0.3
187.07550	0.2
199.17958	0.3
205.08719	0.4
207.02888	0.5
211.17058	0.4
217.04922	0.3
227.17882	0.3
231.16788	0.3
235.10829	0.5
241.12187	0.4
242.05731	1.0
243.06650	0.5
245.04512	0.8
257.04486	0.3
259.06073	0.7
263.10364	0.7
267.80957	0.2
268.08228	0.3
270.05243	0.3
271.05966	0.7
273.03973	4.3
273.06735	0.4
286.04770	0.4
287.05573	2.5
288.06393	2.2
299.05481	0.6
315.05008	5.6
315.08279	0.4
316.05811	21.7
317.06100	0.5
331.08148	100.0
332.08362	1.2
340.10419	0.3
457.30215	0.5
475.20627	0.4
475.26892	0.8
493.28223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50451	0.6
52.60088	0.6
55.03171	0.5
56.50224	0.5
63.49972	0.5
64.27599	0.5
69.94263	0.5
71.50600	0.7
75.47248	0.5
76.98724	0.6
92.49861	0.5
94.93018	2.4
98.97605	0.8
112.89629	2.1
113.95588	0.5
121.75557	0.5
136.94087	1.0
151.76543	0.6
186.96796	0.6
192.31046	0.7
232.90250	1.3
248.89685	1.8
254.95584	0.8
254.97881	0.9
256.98291	0.8
258.99658	0.8
262.89310	0.7
266.97653	1.4
312.96857	1.9
312.98151	2.4
330.97849	1.1
349.00519	0.7
419.03674	1.4
453.89310	0.6
493.16855	100.0
494.16977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.202
Annotation	Grossamide K
Peak:m/z	Relative Intensity
52.01966	0.4
53.03936	1.0
55.01879	0.5
59.07882	0.3
69.03435	0.7
69.95381	1.4
75.30298	0.4
79.05505	0.8
81.03428	3.2
81.07050	0.7
86.09722	0.4
91.05489	4.4
93.07051	4.4
93.59031	0.3
94.04194	2.1
95.04984	0.9
103.05470	5.7
107.04964	0.7
109.06526	0.6
115.05459	7.1
116.06252	0.4
117.07001	3.5
119.04948	0.7
119.08618	0.4
121.06513	28.8
122.03635	4.5
125.05962	0.5
129.07008	0.4
131.04938	5.4
135.04416	0.6
137.05981	100.0
138.06384	0.5
138.09148	0.7
143.04942	5.3
144.05722	1.5
145.06485	3.9
146.03621	2.3
146.06013	0.7
147.04414	0.8
147.08055	0.4
149.06006	0.9
151.03909	0.9
153.05426	0.6
156.18375	0.4
160.05193	7.4
161.05998	7.0
162.06732	1.2
163.07555	3.7
163.78009	0.3
164.07077	4.0
167.07132	0.5
171.04427	1.6
172.05168	0.6
173.06009	0.5
175.07553	33.3
176.07877	0.5
177.09128	2.2
187.07549	10.3
190.07985	0.4
191.07011	0.6
191.08554	0.9
201.05482	1.5
203.07060	3.0
205.08597	11.5
207.08084	0.6
208.08888	0.4
218.07280	0.4
219.08102	2.0
234.06654	0.5
235.07620	0.9
236.08321	0.7
237.09058	0.7
247.07700	1.7
249.09021	0.5
251.10713	1.2
253.08641	0.4
259.09729	3.0
265.08630	1.2
267.10248	0.5
270.08972	0.7
277.08688	0.7
279.10098	3.4
283.09610	1.4
284.10449	1.1
286.09177	0.3
296.10434	1.4
297.11249	0.7
299.12811	0.8
305.08252	0.5
309.11255	1.3
311.12793	10.4
325.10718	1.5
337.10837	0.6
338.13947	1.0
340.15469	2.8
354.13562	0.4
355.11911	0.7
368.14670	1.8
462.19006	1.3
474.19061	1.5
492.20242	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	492.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.5
51.02378	1.1
53.03951	2.4
55.01871	0.8
55.05511	0.5
55.97709	0.2
57.03441	1.2
59.05005	0.5
61.02920	0.2
67.05513	1.4
69.03438	8.5
69.07063	0.6
70.06589	0.3
70.64356	0.2
70.64746	0.9
71.01373	0.3
71.04990	1.0
73.02916	0.8
78.03459	16.1
79.04247	0.3
79.05496	1.1
80.05022	2.2
81.03423	20.1
81.07064	1.1
83.04979	1.0
83.44223	0.3
85.02914	6.6
86.09695	0.4
91.05494	1.7
93.07059	1.3
95.04954	0.7
95.08598	0.9
96.04495	2.3
97.02898	4.4
97.06474	0.3
99.04471	3.0
100.82095	0.2
103.05473	0.4
105.07039	4.5
106.02921	55.5
107.08607	2.6
109.02888	10.4
109.06537	1.8
109.10151	2.0
117.06970	0.5
119.06060	0.3
119.08583	3.5
121.06513	0.9
121.10149	0.8
123.08101	1.6
124.03961	100.0
125.04298	0.5
127.03925	5.3
128.90717	0.2
131.08626	0.6
133.06506	0.5
133.10106	0.9
135.08049	2.0
135.11696	0.4
137.05992	0.5
137.09625	13.5
145.04958	0.5
145.10149	0.7
147.04375	0.2
147.08041	1.1
147.11707	1.8
149.09572	0.4
149.13246	0.3
151.07536	0.9
153.09099	0.5
156.09314	0.4
159.11626	0.3
161.09705	0.3
161.13289	1.3
163.11186	0.5
164.97527	0.2
166.05046	0.6
166.08611	0.3
171.11685	0.5
177.12743	0.6
189.12749	2.4
196.06047	0.7
202.04965	0.2
207.13815	4.7
208.06015	0.6
232.06020	0.4
250.07129	16.0
268.08176	67.5
269.08496	0.7
286.09204	0.9
331.08163	0.4
474.21283	30.0
475.20953	0.6
492.15482	0.4
492.22272	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	492.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03932	1.3
55.01868	0.4
62.65745	0.4
65.03934	0.5
65.61936	0.4
69.85066	1.1
69.85457	0.8
71.03577	0.4
77.03922	0.5
79.05490	0.9
81.03430	2.8
81.07036	0.8
84.04524	0.7
91.05481	5.0
93.07063	5.2
94.04191	2.2
95.04962	1.6
103.05471	6.5
105.03391	0.5
105.04553	0.5
105.07063	0.6
105.10274	0.4
107.04947	0.9
109.06519	0.9
111.04442	0.5
115.05473	5.6
117.07037	4.0
117.79267	0.4
119.04953	1.4
120.08942	0.4
121.06516	32.4
122.03660	5.0
131.04942	4.6
135.04411	1.0
136.07567	0.4
137.05986	100.0
138.06328	0.8
138.09160	0.8
143.04936	5.8
144.05714	1.7
145.02881	0.4
145.06491	4.4
145.35803	0.4
146.03618	2.3
146.05984	0.8
147.04445	1.1
149.06020	1.0
151.03886	1.5
151.07521	0.4
153.05508	0.7
160.05206	9.4
161.05981	6.2
162.06779	1.4
163.07532	4.5
164.07097	4.3
166.08633	0.7
167.07004	0.5
171.04402	1.7
172.05182	0.8
173.06000	1.7
175.04063	0.8
175.07558	30.8
177.05513	0.7
177.09152	1.9
186.03128	0.7
187.07541	10.9
189.05530	0.5
191.07060	0.7
191.08649	1.0
201.05475	12.7
203.07045	3.5
205.06740	0.6
205.08607	10.0
207.08121	0.9
219.08095	1.8
220.09604	0.5
231.06551	0.5
233.06058	0.7
234.06725	0.9
235.07561	1.0
236.08357	0.7
237.09129	0.8
247.07628	1.8
249.09036	0.7
251.10741	0.9
259.09689	3.3
262.06271	0.6
264.07898	0.9
265.08640	1.5
270.09027	0.7
277.08575	0.7
279.10147	3.2
281.07788	0.5
283.09714	1.3
284.10440	1.7
293.08264	0.6
294.08932	0.6
296.10599	1.1
297.11224	0.5
299.12704	0.9
305.08038	1.0
307.09473	0.6
309.11368	1.2
311.12799	11.2
311.16223	0.6
325.10709	1.2
329.13895	0.7
337.10745	1.3
338.13861	1.2
340.15250	2.8
343.88736	0.4
355.11761	6.7
368.15070	1.3
372.35562	0.4
386.16220	0.5
462.19168	0.6
474.19174	1.5
492.20258	13.2
492.27411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	0.8
55.05507	1.1
57.03439	10.5
59.05000	2.2
60.04527	1.6
61.02930	1.5
61.83393	0.8
65.59946	0.7
69.03433	35.5
70.06590	6.9
70.08019	2.9
70.95776	0.7
72.08159	2.5
73.02924	1.2
74.06072	0.9
75.04483	0.8
79.05490	0.9
81.03404	1.9
81.34753	0.7
84.04484	1.9
84.08131	2.1
85.02909	24.6
86.09702	4.2
87.04475	22.8
89.03928	4.8
91.05476	1.5
95.04964	0.9
97.02899	33.6
99.04440	1.2
103.03965	0.9
103.05480	1.2
105.06969	0.8
105.33981	0.7
107.04955	1.5
108.78614	0.7
109.02850	0.9
111.04446	1.0
112.07710	0.8
115.03933	33.0
116.07087	1.3
117.03384	8.3
120.08115	2.6
127.03917	2.8
129.10281	1.0
131.04930	1.5
133.04973	30.7
133.73833	0.7
135.04427	11.5
139.03937	1.5
145.02850	16.9
145.04977	2.9
147.04393	1.1
149.05977	2.7
150.07605	6.1
161.05969	2.6
163.03915	100.0
169.05023	0.9
175.03864	1.6
177.05472	17.6
180.08769	1.7
181.04962	45.4
187.03874	1.2
201.05461	1.0
205.04999	5.8
205.06641	0.9
213.05434	1.3
223.05995	1.9
229.04990	1.6
229.07135	0.7
233.23637	0.8
241.04904	1.4
241.07158	1.0
259.06030	2.7
259.08334	1.2
261.14529	1.0
295.08157	2.6
312.12454	5.3
451.33649	0.9
458.18839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.56163	2.1
53.95876	2.0
55.01860	5.3
55.05512	36.9
57.03437	7.7
57.07079	11.8
60.76649	2.5
65.03947	2.8
66.05436	2.4
67.05180	3.6
67.05508	42.0
69.03419	9.8
69.07073	59.7
71.04985	5.8
71.08639	2.4
74.29347	2.0
79.05500	28.2
81.03407	15.4
81.07059	100.0
83.04977	5.3
83.08627	35.9
84.08144	2.5
85.02437	3.6
85.02904	40.1
85.06535	6.2
91.05486	17.2
93.07053	23.0
95.04951	11.7
95.08609	96.9
97.02900	8.8
97.06532	9.2
97.10177	33.1
99.08091	7.0
105.07024	16.0
107.04961	13.1
107.08601	22.8
109.02874	9.7
109.06522	9.2
109.10158	65.7
111.04442	2.6
111.08080	5.0
111.11728	19.8
113.09637	3.8
117.07014	6.6
119.08572	13.1
121.02854	7.0
121.06509	12.2
121.10148	14.0
123.04468	3.0
123.08095	3.8
123.11710	35.0
125.09659	16.2
125.13278	15.5
127.03932	9.2
129.07008	5.1
131.08568	8.9
133.06512	4.1
133.10129	9.3
135.04451	4.4
135.08049	5.5
135.11697	9.2
137.05989	4.1
137.09637	3.1
137.13268	19.5
139.11226	3.3
139.14815	3.2
143.08556	5.0
145.04939	12.0
145.10101	5.4
147.08078	5.2
147.11684	6.3
149.09653	3.3
149.13287	10.3
151.11185	3.6
151.14839	10.9
153.09116	5.3
155.14250	2.8
157.10114	4.4
159.11702	3.2
161.09622	3.4
161.13206	6.5
163.06044	10.8
163.07448	2.0
163.11191	3.7
163.14821	4.2
165.09122	6.6
165.16376	7.3
169.10132	2.5
169.15842	4.7
171.11603	2.9
173.13329	4.8
175.11304	2.4
177.16310	2.3
179.17897	5.5
183.11671	4.7
185.09569	3.9
187.11267	2.4
189.11273	7.9
191.14268	3.2
191.17989	3.8
193.12239	3.7
193.19539	3.9
203.10753	3.9
205.19397	4.2
209.11650	2.7
209.79260	2.4
211.20596	2.9
219.12022	2.1
219.13795	14.6
223.20619	2.2
227.12817	11.8
247.13264	6.9
263.12839	4.6
275.27347	9.3
280.37924	2.3
293.28302	18.4
372.56506	2.3
381.20526	5.4
399.21848	4.1
417.22543	3.3
419.31448	4.5
443.33691	3.3
445.25836	3.2
459.27164	10.3
463.26685	4.2
473.24976	13.0
491.26361	36.2
491.34610	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	491.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01846	0.9
55.05510	3.7
57.03412	0.7
57.07071	0.3
65.03913	0.3
67.05505	6.4
69.03410	0.7
69.07065	1.5
69.82272	0.6
69.82667	0.7
71.04999	1.5
79.05500	5.8
81.03391	1.2
81.07063	8.4
83.04964	1.0
83.08604	1.4
85.06516	1.0
91.05485	3.8
93.06491	0.4
93.07042	6.4
93.26601	0.3
95.04964	2.1
95.08057	0.5
95.08609	4.7
97.06518	1.0
97.10179	2.0
102.61002	0.3
103.05383	0.3
105.07036	2.6
107.04961	4.9
107.08597	3.0
109.06524	3.0
109.10159	7.5
111.08057	0.8
115.05487	0.4
117.07020	1.5
119.04918	0.3
119.08598	4.2
121.06512	4.7
121.10162	2.1
122.07279	1.4
123.08044	0.9
123.11713	6.7
125.09624	1.4
128.06206	0.3
129.06975	1.1
131.04924	0.6
131.08594	2.2
133.06454	0.5
133.10109	0.8
135.08029	1.3
135.11665	0.5
137.09624	12.4
139.07489	0.5
139.11205	0.7
143.08522	0.9
145.06476	1.3
145.10109	1.1
146.06004	0.3
147.08012	1.1
147.11679	0.5
149.05977	0.3
149.09619	1.2
149.13255	0.6
153.06953	0.3
155.08583	0.3
155.10652	0.9
157.06529	0.4
157.10117	0.6
159.08044	0.8
159.11725	0.7
161.05984	0.4
161.09552	0.4
163.11148	0.5
165.09119	100.0
167.10678	0.8
171.08041	0.6
171.11664	0.4
173.09602	0.4
173.13225	0.6
175.07448	0.4
175.11218	0.5
181.10182	0.4
183.10175	0.8
183.11566	0.4
185.09721	0.3
189.11125	0.7
189.12796	0.6
191.14351	0.6
193.12219	0.5
197.13284	0.3
199.11649	0.3
199.13335	0.8
201.11201	1.4
203.14316	0.4
205.12294	0.6
213.12706	0.5
215.14372	0.4
219.13728	1.6
223.13223	0.4
229.16002	0.4
233.15514	0.3
247.17068	0.5
249.14931	0.9
255.13589	0.3
257.15317	0.4
271.16968	0.5
273.14944	1.1
275.16446	0.7
339.25803	1.6
349.21512	1.4
357.24295	0.5
367.22714	3.3
385.23746	5.0
399.25378	0.4
403.24921	1.0
417.26462	0.6
429.41840	0.3
435.27521	0.3
441.26556	1.2
445.33035	0.3
459.27435	12.6
473.29086	0.6
491.30170	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06529	0.2
50.61003	0.2
53.03941	0.5
55.01860	0.6
55.05517	5.9
57.03443	2.2
57.07082	1.0
65.03928	0.9
67.05508	7.3
69.03438	0.2
69.07072	7.7
69.40464	0.6
69.40891	0.7
70.06588	0.2
70.57657	0.2
70.64329	0.2
71.05017	0.9
74.71355	0.2
79.05501	3.3
81.03419	0.6
81.07063	9.8
83.04970	0.7
83.08167	0.1
83.08624	4.4
85.06541	0.8
91.05488	9.6
92.05814	0.2
93.07046	3.5
95.04961	0.9
95.08612	8.6
97.06539	1.5
97.10172	3.2
99.08095	0.5
105.07032	2.1
107.04974	0.4
107.08615	2.7
109.06548	0.3
109.10162	3.8
111.08105	0.9
111.11710	1.1
113.09630	0.2
114.79678	0.2
117.07024	0.3
119.04950	18.1
119.08558	1.9
121.06547	0.2
121.10155	3.2
123.04437	0.4
123.08081	0.6
123.11682	1.5
125.09624	0.6
125.13284	0.3
129.05513	0.4
129.07037	0.2
129.09070	0.2
131.08600	0.4
133.10126	2.2
135.08028	0.2
135.11696	3.1
137.09619	0.4
137.13272	0.5
139.11205	0.6
143.08669	0.2
145.10181	0.2
147.04417	100.0
147.11697	1.8
148.04738	0.5
149.13263	0.7
151.11197	0.5
151.14828	0.6
153.12779	0.7
159.11728	0.2
161.13312	1.0
163.11237	0.2
163.14902	0.2
165.05489	13.0
165.12842	0.5
173.02356	0.5
173.13255	0.3
175.14879	0.3
179.14288	0.4
189.12877	0.2
189.16295	0.2
193.19649	0.2
209.15218	0.2
217.19543	2.5
221.08138	1.1
235.20573	3.2
253.21558	1.1
281.17642	0.3
291.23251	0.3
309.24268	2.9
327.25317	17.1
340.16302	0.4
438.92172	0.2
473.28882	1.6
491.30353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03932	13.2
54.10839	3.5
54.30093	3.5
55.01867	8.6
55.05515	35.0
57.03423	11.4
67.05183	4.5
67.05511	56.3
69.03429	5.4
69.07058	14.3
71.04984	4.6
71.52247	3.3
71.52642	4.8
79.05498	61.8
79.86052	3.3
81.03424	56.4
81.07056	73.5
83.04979	12.1
83.08627	27.9
85.10125	4.1
91.05482	82.4
93.07049	49.9
95.04975	28.0
95.08626	30.5
97.06536	8.5
97.10178	19.3
103.98505	3.8
105.07036	47.8
107.04950	11.1
107.08585	26.1
108.20419	3.2
109.06503	13.8
109.10151	9.7
111.08077	5.0
117.07022	24.9
119.05013	4.3
119.08566	31.9
121.06516	9.9
121.10130	10.2
123.08048	4.5
123.11701	17.1
125.09620	10.7
128.06207	5.4
129.07010	20.7
131.08597	22.3
133.06541	4.7
133.10149	16.8
135.08055	8.3
141.06940	4.0
142.07889	3.7
143.08566	20.6
145.06479	4.7
145.10083	11.6
147.07985	4.5
147.11713	26.0
151.14532	3.1
155.08554	6.6
157.10112	10.6
159.07950	3.9
161.09627	3.3
161.13322	6.3
163.11139	5.0
165.09171	5.9
169.10077	4.2
171.08054	4.8
171.11693	15.2
181.10089	4.6
185.13239	4.7
187.13281	8.0
189.11156	5.5
189.12766	8.6
193.12251	15.0
199.11093	3.6
205.12109	3.6
207.13818	17.6
212.32643	4.1
227.12752	3.8
243.15872	7.9
249.14793	10.2
267.15897	41.8
272.09827	3.7
277.18134	4.9
281.17395	35.3
305.17587	7.5
363.23380	4.1
381.24054	8.2
399.25043	9.2
455.28021	5.1
473.29068	100.0
474.28940	3.7
491.30551	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	491.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46195	0.2
55.05496	0.3
56.05030	0.3
62.94498	0.3
67.05496	0.7
69.03448	0.3
69.07040	0.4
70.06601	3.0
70.82139	0.3
70.82482	0.7
72.08169	1.9
81.03417	0.9
81.07066	0.6
84.04526	0.7
84.08134	1.9
85.02923	1.7
85.06544	1.0
86.09717	2.6
90.79149	0.3
91.05476	0.7
93.07081	0.5
97.02869	0.7
97.06548	0.3
99.04446	0.4
102.05553	0.3
107.04970	0.5
107.08555	0.5
110.07139	0.4
113.64513	0.3
114.05519	0.3
119.04959	0.3
120.08115	1.3
121.06520	0.3
121.10187	0.4
126.69878	0.3
127.03921	0.5
129.10265	0.8
130.05061	0.3
136.07542	0.7
137.05981	0.7
142.27016	0.3
145.02870	0.4
145.04947	0.4
147.04433	0.4
149.09654	0.4
151.03964	0.4
152.34912	0.3
163.11244	0.5
167.07030	0.9
177.05495	0.6
187.07547	0.4
191.14203	0.5
201.12483	0.4
203.05316	1.0
209.15393	0.4
255.11917	0.5
259.07919	1.2
329.15793	2.9
431.18875	0.8
441.17267	0.5
456.20181	0.4
459.18631	0.7
473.21976	0.4
491.21042	100.0
492.21082	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75031	2.0
53.03937	5.3
53.84006	1.9
55.01879	12.3
55.05515	76.7
57.03429	6.9
59.04999	2.9
63.56578	1.8
65.03931	4.2
67.05508	45.4
69.03439	12.1
69.07072	15.6
69.18240	17.8
71.04980	7.4
72.08146	1.6
79.05495	53.0
81.03421	17.0
81.06597	2.4
81.07062	45.3
83.04961	9.9
83.08625	40.6
85.02923	2.1
85.06522	4.4
91.04913	2.2
91.05487	32.6
91.13577	2.1
93.07047	38.4
95.04971	24.0
95.08608	16.5
97.02896	3.7
97.06520	9.5
97.10175	90.5
99.00803	2.1
99.04461	2.0
99.08101	2.4
103.05431	2.7
105.07036	21.8
107.04962	40.5
107.08593	37.2
108.08085	1.9
109.02870	8.0
109.06528	26.6
109.10168	15.8
111.04458	2.6
111.08082	9.1
115.05430	3.0
117.07038	18.7
119.04935	2.3
119.08564	14.3
121.02877	4.2
121.06514	28.9
121.10152	12.9
123.04385	2.3
123.08067	5.9
123.11726	5.6
125.05978	2.9
125.09640	76.2
127.03870	1.9
128.06239	2.2
129.06987	9.0
131.04921	5.1
131.08568	18.2
133.06497	4.4
133.10103	11.7
135.04469	3.1
135.08051	15.7
135.11699	6.0
137.09593	7.5
139.11237	2.3
141.07021	3.7
143.08554	5.8
143.10695	2.5
145.06517	9.0
145.10130	11.1
147.04384	3.2
147.08018	6.6
147.11691	5.6
149.02295	3.6
149.05954	2.3
149.09601	6.5
151.03920	3.0
153.09090	9.9
155.08560	5.6
157.08783	1.8
157.10138	6.4
159.08025	2.6
159.11690	4.3
161.05995	5.1
161.09633	7.0
163.03871	2.0
163.11169	6.8
165.09126	39.0
167.10721	3.2
169.10081	3.5
171.08017	2.4
171.10197	7.0
171.11606	2.6
173.13228	9.9
175.03906	4.2
175.07639	2.2
175.11209	3.4
179.10738	2.9
181.12202	2.9
183.11693	2.3
183.33032	1.7
185.09753	2.9
186.09172	3.7
187.09642	2.8
189.09283	3.4
189.11217	44.1
191.10718	2.7
191.14291	11.9
193.05101	2.6
193.12215	6.9
195.11708	1.9
197.13261	2.8
199.11224	2.9
199.13274	3.5
201.12799	6.2
205.12131	2.0
209.11693	2.9
217.12256	3.1
217.49593	1.8
219.13814	74.0
221.11658	2.3
225.11147	6.4
227.12733	24.6
229.12317	2.4
233.15369	3.4
237.14821	2.4
247.13129	2.5
249.14868	3.6
263.12833	14.0
265.14316	2.2
267.15924	4.7
269.15253	1.8
273.14819	4.8
275.16431	3.9
281.13995	3.1
281.17151	2.1
297.80078	1.9
341.19260	2.2
349.21774	3.6
353.21091	4.4
354.30994	2.1
367.22723	13.8
371.22037	9.6
381.20868	4.0
385.23755	16.2
389.23288	11.1
399.21631	8.7
403.24701	3.7
407.24405	3.4
417.22635	5.7
441.26117	3.8
445.25824	22.4
447.27454	5.2
459.21350	2.5
459.27478	42.1
463.26862	19.1
473.24875	20.3
491.25574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.5
58.06619	0.8
60.04525	0.9
68.06753	0.6
69.04564	1.6
69.07075	10.5
70.06597	6.1
70.35670	2.3
72.08157	3.7
74.06089	9.8
75.05606	7.7
76.69292	0.6
77.08340	0.6
84.04514	22.9
84.08144	2.9
86.06087	6.4
86.09714	100.0
87.10031	1.7
96.04504	2.9
98.09711	1.0
98.97597	0.9
102.05549	8.0
104.05361	0.8
107.31100	0.7
109.04015	4.8
110.09693	0.7
112.04004	1.6
113.07142	10.5
114.05533	1.1
115.05033	1.2
116.07103	3.1
119.08602	0.9
120.08142	1.5
125.07143	1.1
129.06697	0.7
129.10300	0.9
130.04985	1.3
131.08168	6.0
132.81467	0.6
137.03441	3.8
137.06026	1.9
141.06602	45.9
143.11810	32.7
143.12961	1.0
144.06584	21.2
147.07674	1.5
153.06590	6.0
154.06111	4.0
158.99724	0.9
159.07690	4.7
159.11385	1.5
162.07635	39.2
169.06206	0.7
170.09254	3.7
171.11339	2.9
172.11641	0.8
187.10783	0.9
198.08765	22.2
199.14575	1.1
201.12442	0.9
205.53688	0.7
216.09837	6.6
217.13716	1.5
222.12361	9.1
227.13968	1.2
239.15094	2.5
245.13162	1.1
246.14519	1.1
250.11986	1.0
275.16061	6.0
278.05988	0.7
283.17661	11.4
284.16107	1.5
301.18732	45.2
310.14523	0.8
311.17130	2.3
328.11938	2.4
329.18228	19.9
332.18127	4.0
411.18912	2.2
428.21439	3.1
472.24277	4.8
490.25546	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	490.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94339	0.8
51.16315	0.8
55.05503	3.5
56.05036	8.7
58.06617	4.2
60.04512	1.3
66.82274	0.8
69.03430	1.4
69.07076	6.3
70.06587	6.2
70.57756	0.8
71.51560	0.8
72.08157	40.5
73.04055	1.2
74.06080	24.8
75.05609	8.9
84.04499	8.7
84.08150	6.1
84.31511	0.9
86.09710	65.9
87.05592	1.3
91.05498	2.1
92.66918	0.8
96.08121	1.5
97.02892	0.9
98.95992	0.9
101.07146	21.1
102.05543	3.9
109.02915	1.0
110.07134	1.1
110.09678	3.6
112.07591	2.3
112.11256	1.8
117.03419	1.5
120.06566	9.1
120.08065	1.2
127.08630	0.9
128.10721	13.5
129.06546	1.1
129.10229	10.7
129.17934	0.9
136.07585	2.4
137.06012	1.8
141.10175	1.2
143.11795	44.5
145.02861	3.8
149.06010	1.0
155.11777	2.6
157.09753	2.1
159.07643	1.1
159.11255	5.8
161.06044	1.4
163.03925	1.9
171.11296	22.4
173.12866	100.0
177.05452	7.8
179.03499	1.3
183.11316	1.4
187.07208	2.0
187.10771	3.2
192.11307	0.9
196.10973	1.1
201.12338	43.1
215.13971	2.1
221.24818	0.9
229.11914	1.4
233.11467	1.1
233.14992	3.6
240.13409	3.1
247.07184	1.0
258.14496	39.1
265.20096	0.9
270.18137	1.3
272.16089	10.5
286.13950	1.8
290.17160	9.9
311.09061	0.9
320.14590	1.7
328.11856	2.4
339.20337	2.2
343.19406	1.8
343.23422	28.6
343.27576	1.9
351.81528	1.0
353.21774	1.9
371.22882	25.0
385.20847	1.0
409.18570	0.9
428.25021	1.7
472.27618	3.0
490.18185	1.1
490.28723	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	490.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.1
55.05518	7.1
56.05025	4.3
57.05812	1.3
60.04527	15.2
60.43769	0.9
69.07067	7.5
70.02940	1.6
70.06593	6.6
70.41421	3.6
71.88005	0.9
72.08159	99.9
74.06071	3.3
75.05606	15.2
76.02188	1.3
81.07057	1.1
83.06081	1.3
84.04510	5.3
84.08138	4.1
85.02901	1.6
86.09711	100.0
87.05604	10.4
87.10028	1.1
88.03977	3.6
91.05449	1.6
96.08112	1.1
98.09680	1.2
101.07114	3.2
102.05545	1.5
105.07047	1.9
109.95774	0.9
110.07176	2.1
113.10719	1.0
114.09173	11.4
116.07120	1.6
120.06551	1.8
120.08103	1.0
124.07624	1.0
128.10765	2.0
129.10275	5.9
134.04471	1.4
138.69897	0.9
141.10245	4.6
143.11804	79.4
144.06517	1.6
145.02858	1.2
147.07687	1.1
147.11687	1.2
148.96472	0.9
153.05507	1.1
155.04474	1.8
157.09721	1.5
159.11299	73.4
161.05965	1.3
161.09253	0.9
163.03983	1.9
169.09712	1.1
171.11304	32.6
173.12872	12.9
177.05463	2.9
179.04845	1.7
183.11290	4.5
185.12743	1.1
187.10789	42.5
198.12460	1.2
201.12369	6.8
201.13956	1.0
204.06627	1.2
205.11888	2.3
209.09039	1.0
213.12375	1.4
221.56783	1.0
223.11470	1.3
225.15948	1.7
230.11688	1.0
233.11322	15.4
240.13461	29.3
252.76926	1.1
258.10858	1.6
258.11359	1.8
258.14514	28.8
272.12466	1.1
272.16110	1.3
286.14063	6.5
289.87991	1.1
290.16928	1.6
294.18066	3.8
302.13620	1.4
310.14615	5.4
311.20724	11.5
320.14517	14.5
321.19403	1.9
325.18573	1.2
328.11639	1.7
329.21942	6.5
339.20313	31.0
343.23453	4.1
357.17447	1.3
357.21381	6.5
358.16559	1.1
361.73914	1.1
371.22910	1.7
385.20944	2.3
472.23969	6.2
490.25494	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05490	0.7
65.03932	1.9
69.03419	1.6
69.07066	1.2
69.98791	3.0
70.06600	8.4
72.08159	3.9
74.06081	1.3
78.04327	0.6
79.05511	1.3
81.03431	1.2
81.07025	0.8
84.04488	2.1
84.08125	2.7
85.02893	2.6
85.16409	0.7
86.09711	11.4
87.10015	0.9
89.03893	1.6
91.05485	22.8
93.07056	0.7
94.04187	1.4
95.04962	1.5
97.02898	1.3
98.21484	0.9
102.05573	0.8
103.05469	2.6
104.07101	1.2
106.06527	1.0
107.04963	24.0
109.02850	0.7
109.06507	1.8
110.07136	1.5
115.05457	21.0
116.04985	2.8
116.07079	0.8
117.07067	1.0
118.06554	0.7
119.04955	11.5
120.08084	1.9
121.06521	2.1
122.03663	1.9
129.10213	1.0
131.04907	3.1
132.05705	0.9
133.06436	0.9
134.06010	3.1
136.07588	32.0
137.05991	20.5
137.06764	0.4
143.04938	19.7
144.04451	8.4
144.05688	3.8
145.02806	0.9
145.06468	1.9
146.06033	1.0
147.04419	2.3
148.07549	1.7
149.06047	0.8
151.03879	0.8
156.07718	1.1
159.07997	0.8
160.05179	6.2
161.05968	2.2
162.05518	33.7
162.06654	1.2
163.07556	1.7
167.07068	0.7
171.04424	100.0
172.05214	11.9
173.05904	0.8
174.05553	1.2
175.07574	11.1
176.07072	1.6
177.05569	0.8
180.06577	4.8
186.05534	0.9
187.07552	41.0
188.04619	1.2
188.08313	0.9
189.07040	2.1
190.07697	1.4
191.08647	4.5
201.05446	2.5
202.08623	1.1
203.07037	39.0
205.06612	1.2
206.07353	1.2
207.08076	1.0
208.08899	2.3
211.07529	1.4
217.06537	1.1
218.07404	2.2
219.08060	10.9
220.08902	1.0
221.06020	1.2
222.06660	0.7
223.07448	0.9
227.05740	2.6
230.08093	0.9
231.08690	1.1
232.09668	1.2
233.05945	1.4
233.09615	2.1
234.06796	3.7
235.07521	3.3
236.08325	4.1
237.09001	1.8
242.08139	11.1
243.08221	0.9
244.13663	0.8
247.07564	7.6
248.08383	1.4
249.05415	1.0
249.09177	4.2
251.07057	1.4
251.10704	8.5
253.08722	2.3
253.12927	1.2
254.08139	0.8
259.09729	1.2
261.09085	4.3
262.06247	7.2
263.07111	4.5
264.07852	3.8
265.08627	2.4
270.11533	1.0
275.10797	0.8
277.08615	16.3
279.07056	1.0
279.10162	21.6
280.10934	1.4
281.08029	3.3
287.05383	0.7
289.08282	0.7
291.10123	1.6
293.08273	1.4
293.11688	1.9
294.08765	2.2
296.10495	18.6
300.12344	2.9
301.83356	0.7
303.10117	2.3
305.07874	0.9
306.11371	1.1
309.11215	17.7
310.10760	0.9
311.09491	1.5
311.12781	30.1
315.13397	1.2
321.11246	1.4
328.11853	8.3
328.15463	1.3
335.12820	3.2
337.10812	0.8
338.13867	24.2
348.12250	4.5
355.11926	1.1
366.13397	1.2
397.14349	1.0
444.18033	1.3
472.17462	4.5
490.17352	7.2
491.21475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05490	0.7
65.03932	1.9
69.03419	1.6
69.07066	1.2
69.98791	3.0
70.06600	8.4
72.08159	3.9
74.06081	1.3
78.04327	0.6
79.05511	1.3
81.03431	1.2
81.07025	0.8
84.04488	2.1
84.08125	2.7
85.02893	2.6
85.16409	0.7
86.09711	11.4
87.10015	0.9
89.03893	1.6
91.05485	22.8
93.07056	0.7
94.04187	1.4
95.04962	1.5
97.02898	1.3
98.21484	0.9
102.05573	0.8
103.05469	2.6
104.07101	1.2
106.06527	1.0
107.04963	24.0
109.02850	0.7
109.06507	1.8
110.07136	1.5
115.05457	21.0
116.04985	2.8
116.07079	0.8
117.07067	1.0
118.06554	0.7
119.04955	11.5
120.08084	1.9
121.06521	2.1
122.03663	1.9
129.10213	1.0
131.04907	3.1
132.05705	0.9
133.06436	0.9
134.06010	3.1
136.07588	32.0
137.05991	20.5
137.06764	0.4
143.04938	19.7
144.04451	8.4
144.05688	3.8
145.02806	0.9
145.06468	1.9
146.06033	1.0
147.04419	2.3
148.07549	1.7
149.06047	0.8
151.03879	0.8
156.07718	1.1
159.07997	0.8
160.05179	6.2
161.05968	2.2
162.05518	33.7
162.06654	1.2
163.07556	1.7
167.07068	0.7
171.04424	100.0
172.05214	11.9
173.05904	0.8
174.05553	1.2
175.07574	11.1
176.07072	1.6
177.05569	0.8
180.06577	4.8
186.05534	0.9
187.07552	41.0
188.04619	1.2
188.08313	0.9
189.07040	2.1
190.07697	1.4
191.08647	4.5
201.05446	2.5
202.08623	1.1
203.07037	39.0
205.06612	1.2
206.07353	1.2
207.08076	1.0
208.08899	2.3
211.07529	1.4
217.06537	1.1
218.07404	2.2
219.08060	10.9
220.08902	1.0
221.06020	1.2
222.06660	0.7
223.07448	0.9
227.05740	2.6
230.08093	0.9
231.08690	1.1
232.09668	1.2
233.05945	1.4
233.09615	2.1
234.06796	3.7
235.07521	3.3
236.08325	4.1
237.09001	1.8
242.08139	11.1
243.08221	0.9
244.13663	0.8
247.07564	7.6
248.08383	1.4
249.05415	1.0
249.09177	4.2
251.07057	1.4
251.10704	8.5
253.08722	2.3
253.12927	1.2
254.08139	0.8
259.09729	1.2
261.09085	4.3
262.06247	7.2
263.07111	4.5
264.07852	3.8
265.08627	2.4
270.11533	1.0
275.10797	0.8
277.08615	16.3
279.07056	1.0
279.10162	21.6
280.10934	1.4
281.08029	3.3
287.05383	0.7
289.08282	0.7
291.10123	1.6
293.08273	1.4
293.11688	1.9
294.08765	2.2
296.10495	18.6
300.12344	2.9
301.83356	0.7
303.10117	2.3
305.07874	0.9
306.11371	1.1
309.11215	17.7
310.10760	0.9
311.09491	1.5
311.12781	30.1
315.13397	1.2
321.11246	1.4
328.11853	8.3
328.15463	1.3
335.12820	3.2
337.10812	0.8
338.13867	24.2
348.12250	4.5
355.11926	1.1
366.13397	1.2
397.14349	1.0
444.18033	1.3
472.17462	4.5
490.17352	7.2
491.21475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01857	1.0
57.03419	1.8
61.02919	2.0
63.83498	0.4
65.03934	0.5
69.03431	6.0
69.97606	1.0
69.98008	1.1
70.06597	2.3
71.04981	0.6
72.08132	0.8
73.02912	1.2
73.17702	0.6
75.19999	0.4
77.57781	0.4
79.05490	0.5
81.03401	1.6
84.04500	0.9
84.08131	1.4
85.02910	11.3
86.06062	0.5
86.09721	2.6
87.04446	1.5
91.05486	2.2
97.02901	3.0
99.04441	0.9
103.03920	0.6
103.05439	1.2
104.07111	1.0
105.06981	0.5
107.04964	2.0
107.81604	0.4
108.76125	0.4
109.02857	1.6
109.06512	0.6
110.07165	0.6
115.05466	1.3
118.05558	0.4
119.04934	1.8
122.03642	1.1
123.04446	0.6
123.08064	0.5
127.03918	1.6
131.04926	1.7
134.04512	0.5
136.07530	0.9
137.05988	27.0
143.04979	2.2
145.02872	0.7
145.05028	1.0
145.06480	0.9
146.06018	0.8
147.04385	2.2
148.07555	0.7
149.05992	2.3
149.09645	0.7
150.05550	3.0
150.06688	0.7
151.03934	1.3
151.07605	0.6
152.07118	0.6
156.07675	0.5
158.06010	1.0
160.05205	0.7
161.05994	2.8
162.05534	2.5
163.06305	3.6
164.07076	6.6
167.07098	0.5
173.05986	0.9
175.03928	3.6
175.07506	0.9
176.07077	1.7
177.05482	1.3
177.06931	0.7
178.07756	0.4
179.08600	0.7
181.12120	0.4
183.08083	0.4
186.05493	0.5
187.07570	0.4
192.06529	0.9
193.06458	0.5
194.07341	0.5
201.05479	7.3
204.06551	1.8
205.06490	3.2
205.08313	0.8
207.08104	0.9
207.13875	1.1
211.07562	1.0
213.05548	0.5
215.13934	0.8
221.05933	1.1
222.06833	1.1
223.07527	3.5
225.09102	0.7
233.05981	3.1
234.06743	1.4
235.07500	1.0
237.09062	1.7
239.07091	0.9
240.07971	0.5
243.10272	0.6
247.07591	0.7
250.06230	2.8
250.08730	2.1
251.07040	7.0
252.07751	0.9
253.08739	0.6
261.05475	0.6
263.07025	0.9
265.08643	4.3
266.08060	1.0
267.09280	0.5
268.07364	0.6
268.09781	4.5
271.09656	0.7
278.05487	3.4
278.08395	4.8
279.06439	2.4
279.09091	0.6
281.08057	0.6
283.09619	2.2
284.09158	1.2
285.09955	6.5
292.09824	0.6
293.08090	10.0
293.11417	0.6
295.08432	2.0
296.06711	0.7
298.10855	1.1
299.09094	2.9
300.12320	17.4
305.08154	0.8
310.10806	6.1
311.09134	9.6
311.80618	0.5
328.11810	100.0
329.12082	0.7
337.10681	0.9
355.11810	5.3
366.13348	0.7
370.12802	1.2
462.17831	0.7
490.17276	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	490.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01857	1.0
57.03419	1.8
61.02919	2.0
63.83498	0.4
65.03934	0.5
69.03431	6.0
69.97606	1.0
69.98008	1.1
70.06597	2.3
71.04981	0.6
72.08132	0.8
73.02912	1.2
73.17702	0.6
75.19999	0.4
77.57781	0.4
79.05490	0.5
81.03401	1.6
84.04500	0.9
84.08131	1.4
85.02910	11.3
86.06062	0.5
86.09721	2.6
87.04446	1.5
91.05486	2.2
97.02901	3.0
99.04441	0.9
103.03920	0.6
103.05439	1.2
104.07111	1.0
105.06981	0.5
107.04964	2.0
107.81604	0.4
108.76125	0.4
109.02857	1.6
109.06512	0.6
110.07165	0.6
115.05466	1.3
118.05558	0.4
119.04934	1.8
122.03642	1.1
123.04446	0.6
123.08064	0.5
127.03918	1.6
131.04926	1.7
134.04512	0.5
136.07530	0.9
137.05988	27.0
143.04979	2.2
145.02872	0.7
145.05028	1.0
145.06480	0.9
146.06018	0.8
147.04385	2.2
148.07555	0.7
149.05992	2.3
149.09645	0.7
150.05550	3.0
150.06688	0.7
151.03934	1.3
151.07605	0.6
152.07118	0.6
156.07675	0.5
158.06010	1.0
160.05205	0.7
161.05994	2.8
162.05534	2.5
163.06305	3.6
164.07076	6.6
167.07098	0.5
173.05986	0.9
175.03928	3.6
175.07506	0.9
176.07077	1.7
177.05482	1.3
177.06931	0.7
178.07756	0.4
179.08600	0.7
181.12120	0.4
183.08083	0.4
186.05493	0.5
187.07570	0.4
192.06529	0.9
193.06458	0.5
194.07341	0.5
201.05479	7.3
204.06551	1.8
205.06490	3.2
205.08313	0.8
207.08104	0.9
207.13875	1.1
211.07562	1.0
213.05548	0.5
215.13934	0.8
221.05933	1.1
222.06833	1.1
223.07527	3.5
225.09102	0.7
233.05981	3.1
234.06743	1.4
235.07500	1.0
237.09062	1.7
239.07091	0.9
240.07971	0.5
243.10272	0.6
247.07591	0.7
250.06230	2.8
250.08730	2.1
251.07040	7.0
252.07751	0.9
253.08739	0.6
261.05475	0.6
263.07025	0.9
265.08643	4.3
266.08060	1.0
267.09280	0.5
268.07364	0.6
268.09781	4.5
271.09656	0.7
278.05487	3.4
278.08395	4.8
279.06439	2.4
279.09091	0.6
281.08057	0.6
283.09619	2.2
284.09158	1.2
285.09955	6.5
292.09824	0.6
293.08090	10.0
293.11417	0.6
295.08432	2.0
296.06711	0.7
298.10855	1.1
299.09094	2.9
300.12320	17.4
305.08154	0.8
310.10806	6.1
311.09134	9.6
311.80618	0.5
328.11810	100.0
329.12082	0.7
337.10681	0.9
355.11810	5.3
366.13348	0.7
370.12802	1.2
462.17831	0.7
490.17276	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.19901	0.8
52.78749	0.7
53.03957	2.1
55.01867	1.7
55.05517	14.1
56.02391	0.8
56.68145	0.7
57.03427	2.9
57.07071	1.8
59.04991	1.9
62.45458	0.8
65.03922	2.7
67.05508	72.5
69.07070	10.8
71.04987	2.6
71.52754	1.1
78.08440	0.8
79.05498	24.3
81.07059	29.0
83.04984	1.1
83.08633	7.0
85.06554	2.2
89.46018	0.8
90.11959	0.9
91.05486	20.0
93.07045	26.3
95.04966	2.4
95.08614	21.3
97.06536	2.8
97.10159	3.1
98.23210	0.8
99.15125	0.9
105.07030	16.8
107.08600	14.9
109.06483	1.6
109.10161	38.3
111.08091	2.4
115.05485	1.2
117.07048	5.1
119.08593	20.5
121.10146	12.3
123.08076	0.9
123.11694	1.4
124.18505	0.9
125.09644	1.8
129.06969	1.8
131.08578	11.9
133.10129	12.6
133.44263	0.9
135.11713	7.5
137.09633	2.5
139.11150	1.2
143.08571	3.6
144.89130	0.9
145.10127	10.9
147.11699	7.6
149.13284	2.9
155.08588	1.4
155.10645	2.0
157.10133	3.8
159.11729	8.0
161.09621	0.9
161.13290	4.9
169.10162	1.6
171.11710	3.3
173.11751	10.1
173.13271	5.6
175.14865	1.7
181.10127	1.0
183.11722	2.4
185.13275	3.4
187.14857	3.7
189.16388	1.1
195.11708	1.1
197.13304	1.9
199.14890	1.7
201.16306	1.7
202.92636	0.9
211.14955	1.6
245.46635	0.9
259.20523	1.8
261.22147	4.4
283.21030	1.0
285.22229	0.9
299.23700	1.0
303.57129	0.9
317.24866	2.0
377.26740	1.2
379.29956	4.6
391.28613	0.9
397.30988	8.0
415.32196	3.1
471.34781	6.1
489.35773	100.0
490.36084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03954	3.1
55.01869	1.9
55.05520	10.7
57.03440	4.1
57.07065	1.6
59.04993	1.8
60.57764	0.9
65.03949	1.9
67.05511	44.4
69.03457	0.7
69.06728	1.2
69.07076	11.6
71.04984	2.5
71.08609	1.1
71.52748	1.1
71.53210	1.2
74.48318	0.7
79.05501	20.5
81.07061	28.2
83.04998	1.6
83.08617	5.8
85.06554	1.6
91.05487	18.6
93.07053	24.3
95.04991	2.1
95.08612	19.0
97.06562	2.4
97.10178	1.9
105.07035	18.1
107.08607	13.8
109.10165	25.5
111.08106	2.1
117.07006	6.9
119.08596	21.6
119.88618	0.9
119.93815	0.8
121.06447	1.1
121.10149	10.4
123.08085	1.7
123.11729	2.2
125.09632	1.6
129.07014	4.0
129.10495	0.8
129.32895	0.7
131.08583	12.9
133.10135	13.4
135.08099	1.5
135.11708	7.7
137.09613	1.8
137.13254	0.8
139.11191	1.4
141.07008	1.4
143.08566	5.0
145.10129	13.3
147.11716	8.7
149.13281	3.8
155.08582	2.3
155.10619	1.3
157.10121	5.1
159.11714	10.2
161.13257	5.7
163.14850	1.7
167.08600	0.9
169.10153	2.4
171.11691	5.1
173.11761	5.9
173.13298	7.2
175.14856	2.3
183.11737	1.6
185.13315	3.7
187.14850	3.0
197.13263	2.9
199.14853	2.4
211.14888	1.4
211.82393	0.8
213.14671	1.1
213.16479	1.5
217.15756	1.2
225.16415	0.9
227.18137	1.5
231.17433	1.0
243.21205	1.3
245.19176	1.0
260.80875	0.8
261.22153	1.4
261.53476	0.9
271.20389	0.9
285.22073	1.7
297.22324	0.8
299.23764	2.1
317.24918	1.3
337.37024	0.8
363.25320	1.3
377.27014	1.7
379.29877	6.3
397.31091	10.6
415.32147	3.4
430.64618	0.9
471.34677	12.2
489.35803	100.0
490.35831	1.5
499.98914	0.8
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
53.03947	1.8
55.01866	1.0
55.05278	0.8
55.05519	12.1
57.03428	3.0
57.07075	1.8
59.04989	1.0
65.03937	2.3
67.05512	45.6
69.07076	8.9
70.96564	1.7
71.04993	1.7
75.17120	0.6
79.05070	1.3
79.05499	18.7
81.07064	27.5
83.04990	0.9
83.08624	4.8
85.06559	1.9
91.05484	15.5
93.07052	23.5
95.04973	1.7
95.08618	21.1
97.06541	2.4
97.10172	2.8
105.04539	1.0
105.07047	14.5
107.08598	13.0
109.06497	1.2
109.10168	22.5
111.08072	1.0
117.07034	6.1
119.08592	19.2
121.10147	11.3
123.08041	1.3
123.11711	1.8
125.09682	1.2
126.05087	0.7
129.07034	4.0
131.08580	11.3
133.10161	13.4
135.08044	1.1
135.11708	7.3
137.09639	1.8
139.11218	1.5
141.07059	1.0
143.08591	4.1
145.10143	11.5
147.11688	9.8
149.09624	1.0
149.13271	3.3
155.08566	1.9
155.10692	1.4
157.10156	5.0
159.11720	10.1
159.12933	1.3
161.13271	5.4
167.08675	0.7
169.10127	2.0
171.11713	4.0
173.11765	5.7
173.13300	6.0
175.14914	1.7
183.11731	3.0
185.13268	4.5
187.14853	2.9
189.16348	0.9
195.11763	1.6
197.13322	1.6
199.14835	3.3
201.16389	1.8
211.14857	1.8
213.14778	1.4
213.16524	1.1
225.16518	1.5
227.18086	1.1
229.14406	1.5
239.17729	0.8
243.21159	1.6
253.66806	0.8
259.20602	1.6
261.22266	2.5
285.22269	1.8
287.20123	1.0
317.24789	1.5
319.13446	0.8
333.24289	0.8
377.26633	1.0
379.29956	6.8
397.31155	11.3
415.32175	3.3
433.33203	2.3
453.33411	1.2
471.34695	10.6
489.35806	100.0
490.36450	1.7
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	Cimigenol
Peak:m/z	Relative Intensity
53.03920	2.1
55.05275	0.9
55.05513	11.4
57.03429	2.7
57.07082	1.7
62.13966	0.9
65.03925	1.2
67.05508	35.7
69.07068	10.1
70.56984	2.4
71.04984	1.9
73.25235	0.8
79.05073	1.4
79.05500	18.7
81.06594	1.4
81.07063	24.1
83.05029	1.0
83.08620	5.5
83.83273	0.8
85.06567	2.6
91.05483	14.9
93.06484	1.5
93.07047	21.8
95.05003	2.0
95.08068	1.3
95.08617	16.6
97.06561	1.9
97.10152	2.0
105.07044	14.9
107.08596	13.3
109.06530	1.2
109.09470	1.6
109.10164	17.5
111.08090	2.3
115.05424	1.1
117.07026	6.5
119.08581	18.6
121.10152	11.0
123.08095	0.9
123.11703	2.3
125.09631	1.7
129.07022	3.9
131.08577	12.0
133.10146	12.1
135.11700	7.9
139.11157	2.5
143.08598	4.8
145.10115	11.1
147.11705	10.0
149.13278	3.4
155.08545	1.6
155.10577	1.2
157.10182	5.8
159.11707	9.0
161.13316	6.2
169.10114	2.2
171.11681	6.6
173.11754	4.8
173.13297	6.6
175.14888	1.3
183.11710	2.8
185.13277	3.8
187.14906	2.6
197.08040	0.9
197.13274	2.8
199.14873	2.2
201.16518	1.7
209.13223	1.3
211.15018	0.9
211.85422	0.8
213.14684	1.8
213.16519	2.0
239.17912	1.2
243.21397	1.0
259.20804	0.9
261.22275	1.3
271.20847	0.8
273.22070	1.5
277.21667	1.3
285.18671	1.1
285.22116	2.4
287.23676	1.2
297.22098	1.4
299.23764	2.0
313.25519	1.0
317.24710	1.5
336.28394	1.1
363.25275	1.1
377.26508	0.9
379.29874	7.8
391.28552	1.7
397.31079	14.4
415.32111	3.0
471.34750	12.9
489.35800	100.0
490.36124	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03936	1.5
53.37516	0.8
55.01871	2.3
55.05514	12.3
57.03441	4.2
57.07077	3.3
62.82905	0.8
64.45099	0.8
64.99149	0.8
65.03938	1.4
67.05508	30.3
69.07075	9.9
69.28276	6.7
71.05003	1.9
71.08643	1.2
79.05496	16.7
81.03444	1.0
81.07061	23.7
83.05000	1.1
83.08624	5.8
85.06540	1.1
87.04477	2.9
88.04803	1.1
91.05483	17.1
91.06036	1.5
93.07049	24.1
95.04981	1.9
95.08614	16.7
97.04479	0.8
97.06544	2.4
97.10162	4.0
99.08125	0.8
100.87984	0.9
105.07036	20.9
107.08601	11.9
109.06514	1.0
109.10161	13.4
111.08129	1.4
117.07011	7.7
119.08585	26.6
121.10142	8.0
123.08048	1.3
123.11723	1.3
125.09628	1.2
128.06245	0.8
129.06998	5.5
131.08575	16.9
133.10132	11.3
135.08073	1.1
135.11716	3.2
137.09639	1.2
137.13379	0.7
139.11189	0.8
141.07030	1.8
142.07727	0.7
143.08571	6.7
145.10129	17.3
145.11177	1.4
147.11668	7.4
149.13313	4.6
154.98073	0.8
155.08586	3.2
157.10159	6.5
159.11708	10.2
161.09744	1.0
161.13268	7.8
169.10204	2.8
171.11673	6.9
173.11841	1.4
173.13292	7.0
175.14873	3.4
177.12782	1.0
177.16418	1.3
181.10162	1.0
183.11662	4.9
185.13213	6.0
186.25581	0.8
187.11211	1.2
187.14850	4.1
189.11145	1.2
189.16394	1.1
195.11736	1.3
197.13260	4.2
199.14859	3.6
201.16454	4.0
209.13309	1.4
211.14885	3.0
213.14648	1.0
213.16441	2.3
215.17868	1.2
225.16417	2.5
227.17992	2.1
229.19926	0.8
241.19530	1.8
243.21317	0.9
253.19461	1.2
255.21208	1.7
259.20636	1.3
261.22229	2.1
267.21207	1.7
273.22327	1.0
281.22510	1.0
285.22116	1.8
296.57605	0.9
299.20313	0.9
299.23718	2.6
301.28619	0.9
317.24817	2.2
327.23312	1.5
369.31863	1.1
377.27017	2.5
379.29999	9.4
391.28592	2.0
397.31036	17.9
415.32278	2.1
433.33493	1.2
453.33841	1.4
471.34741	15.2
489.35849	100.0
490.36142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
53.83892	0.7
55.01873	1.4
55.05513	4.1
56.05008	0.8
57.03434	4.3
58.99578	2.7
61.02919	1.4
65.03945	1.2
67.05510	5.4
68.05030	1.0
69.03419	2.2
69.07077	4.1
70.02943	2.6
70.06573	0.9
71.01340	3.3
71.04998	2.0
71.24316	0.7
71.52524	1.2
72.08156	1.1
73.02924	8.9
74.00668	0.9
77.30824	0.7
79.05490	6.2
80.05018	1.9
81.03417	1.6
81.07056	6.4
83.04984	2.6
83.08623	1.6
84.04482	0.9
84.08170	1.1
85.01119	1.4
85.02901	3.5
86.00655	17.5
86.09693	2.5
86.99049	2.1
88.04004	1.5
91.05490	3.9
93.07053	6.7
94.06570	1.9
95.04961	1.6
95.08619	4.1
97.01134	4.8
97.02894	2.0
97.06524	3.2
99.02706	1.3
103.05471	1.1
105.05794	1.5
105.07024	3.2
105.68571	0.8
106.06546	2.2
107.04957	1.1
107.08601	4.0
109.10152	2.3
111.02682	5.9
112.02206	1.7
113.00634	4.2
113.05997	0.9
115.03931	1.0
117.07015	1.3
117.99635	1.1
118.06519	1.1
119.04951	0.7
119.08583	3.3
121.06519	5.4
121.10134	1.7
122.06056	1.7
122.10445	0.9
123.02625	1.1
123.11714	1.0
124.07716	0.8
126.03741	2.9
128.01688	1.4
129.06970	0.9
129.99612	1.4
131.08575	1.4
132.01161	25.0
133.04976	0.9
133.10123	1.8
135.02675	1.3
136.02100	0.8
137.04210	0.7
137.05959	0.8
138.03734	38.0
139.02135	1.0
140.05371	0.8
143.10677	1.8
145.10106	1.1
147.11647	1.3
157.10146	0.8
159.09232	1.4
162.03751	0.9
164.05235	0.8
165.09013	0.8
166.03189	1.3
172.04285	3.2
173.13103	0.9
174.02243	1.5
184.04286	88.2
191.14310	1.2
201.05479	2.4
208.04260	6.7
219.01836	1.2
225.18600	1.1
235.16873	4.0
250.06038	0.7
259.09631	0.9
262.05356	1.7
267.14185	2.3
273.18460	0.8
279.03870	1.3
280.06384	1.5
282.08780	1.3
285.15216	0.8
291.19595	3.0
305.13458	0.9
309.20590	1.0
310.18231	0.8
321.04950	1.1
323.09192	2.4
327.13129	0.9
338.17831	5.9
356.18921	100.0
357.19028	1.3
394.12741	0.7
398.19785	3.0
434.19928	1.9
452.21103	2.6
460.17630	1.4
470.22238	4.2
488.17294	0.8
488.23114	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.05033	3.4
59.80552	0.4
59.98537	0.5
60.04521	1.9
67.05506	0.9
68.05006	0.8
69.03426	0.9
69.07037	0.7
69.11458	0.5
70.06593	28.2
71.52211	0.9
72.08142	3.1
74.02454	0.6
79.96073	0.4
80.04984	0.5
81.03429	1.0
81.07029	0.6
82.06577	0.8
84.04516	1.7
84.08146	100.0
85.02917	1.3
85.06558	0.6
86.09708	47.2
87.05602	1.8
91.05532	0.6
96.04510	0.9
96.08118	2.0
97.02887	0.8
101.10780	4.8
111.09208	1.4
112.02192	1.6
112.07606	1.3
112.62270	0.4
117.06609	2.0
122.75801	0.5
127.08699	0.7
129.10245	44.5
133.06085	11.5
137.03778	0.6
140.01654	5.8
141.10204	0.8
142.03235	0.6
143.11772	1.6
145.05038	1.0
145.06062	5.8
152.14326	3.2
157.06104	1.0
163.03871	1.0
163.63301	0.4
168.01167	1.1
170.09016	0.4
173.09229	29.4
183.96695	0.5
197.03799	0.8
197.16508	11.7
197.18224	0.9
198.16707	0.6
199.18069	3.3
199.71164	0.5
202.08191	4.4
214.19209	1.6
215.05046	1.0
224.17538	2.8
225.15974	1.2
227.17500	2.6
228.13452	0.6
229.11925	2.3
237.15823	0.6
242.18658	5.2
243.04420	2.5
245.11401	1.0
246.14514	8.7
287.17191	3.9
292.23849	0.8
303.13437	0.6
315.16595	2.9
320.23318	1.5
327.27634	1.3
337.25922	2.5
338.24329	1.4
355.26996	6.9
359.22977	1.7
373.28082	0.9
452.28873	0.7
470.29822	5.6
473.56448	0.5
487.32422	61.6
488.32669	0.7
500.91412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32453	0.7
53.03950	1.3
53.87045	0.6
55.01865	1.7
55.05509	2.9
57.03448	4.7
58.99584	2.0
60.55640	0.7
61.02924	1.8
67.05508	6.4
68.42448	0.7
69.03430	0.9
69.07066	2.5
70.02950	2.4
70.06598	3.5
70.49395	1.0
70.49743	1.1
71.01356	3.0
72.08160	1.2
73.02924	9.0
76.02239	1.0
79.05504	5.5
79.70058	0.7
80.05024	1.1
81.03415	1.3
81.07061	5.1
82.07401	0.7
83.04982	1.1
84.04494	0.7
84.08131	1.6
85.01134	2.0
85.02920	2.9
86.00661	9.6
86.09701	2.5
88.03992	14.9
91.05490	5.6
93.07050	5.3
94.06593	0.8
95.04971	1.5
95.08621	4.8
97.01121	1.9
97.02895	1.8
97.06551	1.7
100.02220	2.5
101.06024	0.9
103.05460	1.0
105.04552	0.9
105.07040	5.6
106.06552	2.0
107.04945	0.7
107.08549	3.5
108.08924	1.0
109.01131	0.8
109.06501	0.9
109.10152	1.8
111.08077	0.9
112.02204	2.0
115.03947	1.2
115.05475	1.3
117.05764	1.8
117.07024	2.7
118.06586	3.9
119.08580	4.9
120.08086	2.1
120.08925	1.5
121.06509	3.7
121.10175	2.9
122.10453	0.8
123.02660	1.6
123.11691	1.5
127.03951	1.0
128.06242	1.3
129.07019	1.9
130.06526	3.6
131.04871	0.7
131.07327	0.8
131.08577	1.9
132.01163	16.5
132.08069	2.2
133.08878	0.7
133.10139	2.9
135.02649	0.7
135.11618	0.7
136.02180	0.9
137.09680	1.2
138.03726	1.9
143.08562	0.9
144.08092	2.1
145.10143	2.8
147.02644	4.0
147.11700	2.4
148.12012	0.8
149.04268	1.1
149.13240	1.2
150.03630	1.6
156.01160	1.8
159.11678	1.6
164.05309	5.8
171.11720	0.7
175.14774	1.3
182.02666	0.7
184.04373	1.0
187.14790	0.8
188.15202	1.0
191.14301	0.9
199.14792	0.9
201.05402	4.6
203.17955	0.8
204.18282	0.8
205.15918	1.6
206.16238	1.2
208.04282	1.0
210.05904	1.3
217.15933	0.7
219.17484	0.9
244.06075	0.7
258.18781	0.8
259.09631	0.7
264.26846	1.4
265.08652	0.8
280.26385	2.3
282.08835	0.8
292.17200	2.2
320.16937	0.9
323.09131	1.6
326.26993	1.2
338.17859	100.0
339.18286	1.8
356.18951	1.6
371.63428	0.7
380.19000	1.6
424.32886	1.5
434.19925	1.2
452.21094	1.8
470.22064	7.9
470.32968	0.9
488.16791	2.0
488.32401	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01858	5.4
55.05517	16.4
57.03440	8.7
57.07067	10.1
61.02914	8.6
65.03933	4.1
66.97673	2.8
67.05511	100.0
67.58207	3.0
69.03419	10.3
69.07067	17.0
69.31643	5.5
69.32049	23.7
71.04973	9.6
73.02931	4.4
73.96856	3.0
79.05498	85.7
81.03405	10.7
81.07067	90.7
83.04946	3.8
83.08607	11.0
85.02914	24.1
85.06529	9.8
91.03947	6.8
91.05489	49.4
93.06492	6.1
93.07053	94.6
95.04964	9.9
95.08619	67.8
97.02904	7.2
97.06522	13.9
97.10129	4.7
99.08086	10.5
105.07029	33.1
107.04980	3.4
107.08605	56.0
109.06551	5.2
109.10169	35.2
111.08089	6.8
113.09634	3.6
117.07003	19.5
119.08603	29.4
121.06464	3.6
121.10151	70.5
122.60725	3.0
123.08068	5.5
123.11707	25.1
127.03932	6.8
129.06990	7.5
130.07788	3.5
131.08586	38.9
133.06505	3.9
133.10135	39.6
135.08064	6.7
135.11702	67.7
137.09616	7.9
137.13232	9.7
143.08633	5.5
145.04982	7.4
145.09221	3.9
145.10146	41.9
147.11691	25.6
149.09616	7.7
149.13287	38.3
151.11142	6.4
157.10094	6.6
159.11702	37.2
161.13245	13.1
163.06030	7.7
163.11189	8.3
171.11650	4.9
173.13280	26.9
175.14766	5.7
177.12808	4.4
183.11646	5.0
187.14812	10.6
189.16522	4.7
200.88007	3.3
205.19498	12.7
215.17993	90.3
233.18999	80.3
247.97937	3.2
261.63376	3.7
299.19861	3.6
307.22717	13.7
317.21222	3.6
325.23764	20.3
341.21243	4.5
377.23669	3.8
417.87726	3.6
469.28012	11.9
487.34244	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	487.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01854	2.8
55.05516	21.1
56.91272	1.5
57.03444	12.2
57.07064	7.1
61.02923	6.1
64.23774	1.6
65.03957	2.0
67.05508	97.1
69.03439	8.4
69.07074	16.0
69.31343	3.5
69.31744	12.2
71.05011	7.7
72.08159	21.4
73.02919	2.2
73.08482	2.0
74.09720	6.0
75.04484	2.1
76.33765	1.8
79.05498	82.5
81.03413	8.0
81.07063	100.0
83.04984	5.7
83.08631	10.3
85.02924	8.4
85.06548	8.8
91.03956	4.5
91.04907	3.0
91.05484	49.2
93.07052	93.9
95.04971	7.0
95.08613	72.4
97.02886	6.2
97.06564	7.7
97.10158	4.1
98.21475	3.1
99.04458	2.0
99.08076	5.9
105.04517	2.2
105.07040	35.6
107.04987	3.4
107.08597	48.4
109.06528	6.8
109.09483	2.6
109.10166	35.3
111.08104	7.0
112.11567	1.4
113.09626	4.2
117.07018	18.5
119.07815	2.7
119.08591	32.9
121.06549	1.7
121.10154	53.4
123.08057	3.8
123.11723	21.5
125.09664	4.0
127.03923	2.0
129.05417	2.1
129.07002	4.6
131.08580	39.8
133.10143	30.2
135.08035	4.7
135.10706	3.7
135.11705	65.9
137.09625	6.3
137.13251	5.5
137.24928	1.6
139.11212	2.9
143.08479	3.0
145.04994	3.6
145.09058	2.5
145.10135	29.2
147.06270	1.6
147.08092	2.5
147.11684	22.7
149.09627	7.0
149.13278	33.4
151.11183	5.6
157.10130	3.8
159.11694	29.1
161.09521	1.8
161.13261	6.2
163.07515	1.6
163.11176	6.2
163.14958	1.7
165.12859	2.5
167.10690	1.6
171.06502	1.8
171.11658	3.8
173.13266	22.8
175.14850	3.0
177.12756	3.3
183.11646	2.2
185.13284	2.5
187.14833	6.5
189.12907	2.2
189.16353	3.6
191.17986	2.0
205.15842	3.4
205.19632	8.0
215.17957	76.4
217.19516	3.0
233.19023	71.9
245.19250	1.8
251.20097	6.7
265.02136	1.7
275.20187	2.3
307.22681	24.5
325.23691	14.3
341.21048	2.1
351.70026	2.0
391.24744	2.3
398.24335	1.8
415.24911	2.0
451.26627	3.1
469.28503	8.0
487.34167	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77772	0.9
53.03934	2.6
55.01876	1.9
56.05025	1.0
57.03435	3.1
60.08151	1.2
63.93470	0.8
69.03433	12.9
70.06593	12.2
71.01347	1.0
71.04984	4.2
71.15797	2.2
72.08149	3.2
72.23737	0.9
79.39826	0.8
81.03417	23.9
82.03028	1.0
82.03748	2.6
84.04501	2.6
84.08157	6.7
85.02895	3.2
85.06538	1.1
86.09716	10.0
91.05493	1.5
93.91254	1.3
97.02883	2.3
98.97591	1.1
99.04441	6.5
104.10708	1.3
117.05528	1.6
118.06557	3.3
119.08601	1.2
120.08074	1.4
125.00004	1.4
127.03912	1.1
129.10272	3.7
136.07578	2.8
145.07623	4.9
146.63518	1.0
147.09183	4.9
165.09155	3.4
166.09483	3.2
173.07124	8.0
175.08701	6.9
184.07349	8.0
185.07649	2.6
191.08165	100.0
215.11668	0.9
226.15633	1.0
239.12723	1.8
242.49536	0.9
257.13858	1.6
258.14178	3.2
258.89835	1.0
259.62848	1.0
273.04263	2.5
289.11835	1.7
307.12894	23.8
325.13947	87.2
334.67999	1.0
451.23004	1.6
487.21133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.0
60.04525	6.4
69.03433	0.6
70.06594	82.8
70.62914	1.5
72.04473	0.6
72.08162	2.6
84.04502	1.8
84.07634	0.9
84.08147	16.8
84.78683	0.4
85.02925	0.7
86.09708	47.0
87.05618	0.5
89.07149	1.1
97.02884	0.5
98.09652	0.4
99.94270	0.5
101.07146	0.6
101.10787	0.8
102.05550	0.5
115.05080	1.1
116.07116	0.7
117.06621	8.9
129.06523	0.7
129.10257	6.9
133.06111	1.4
134.29854	0.5
136.07545	0.5
141.91689	0.5
143.11801	3.9
145.02905	0.6
145.04936	1.1
145.06084	17.7
157.06105	3.8
157.09752	0.7
163.03888	2.1
165.17166	0.5
173.09227	100.0
184.07309	0.7
185.12848	0.6
197.16461	1.5
199.18005	0.6
200.13942	1.0
201.84026	0.5
202.08232	16.2
246.14441	1.5
270.14340	0.7
286.17587	1.0
287.17142	14.2
297.15433	0.6
315.16626	8.9
341.21811	0.6
355.26932	1.0
384.22382	0.6
412.21646	1.0
420.07047	0.6
487.25250	2.0
487.32147	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	486.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05486	1.0
57.03435	2.0
61.02929	1.7
67.05502	1.6
68.28783	0.8
68.42931	0.9
69.83125	1.7
69.83540	2.8
70.06583	2.0
78.81738	1.0
79.05477	2.4
80.32340	0.8
81.03422	100.0
81.07050	1.9
83.04966	2.1
84.04556	0.7
85.02909	1.3
86.09713	2.0
91.05502	6.9
93.07061	4.3
95.04961	0.8
95.08610	2.0
97.02898	1.1
104.10728	2.8
105.07007	1.0
109.10109	1.5
117.07050	0.8
119.08589	10.9
121.06492	4.7
123.04425	1.9
123.08099	2.0
137.09622	16.3
147.08020	5.1
165.09126	59.9
183.10178	2.7
184.07375	2.8
239.12804	26.8
241.74199	1.0
257.13858	58.6
281.13788	6.2
335.14825	1.4
336.33539	1.0
344.55078	1.0
347.14755	1.3
383.17172	1.4
401.18042	2.7
423.06879	0.8
462.92786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01865	1.1
55.05307	0.4
55.05516	4.5
57.07072	0.5
61.02907	0.5
62.06075	0.8
65.29735	0.4
67.05491	1.7
69.03416	0.5
69.07071	2.8
70.06559	1.1
71.08630	6.0
71.52254	0.6
72.08147	2.2
73.02884	0.7
79.05486	1.5
81.03406	0.8
81.07065	3.0
83.08630	7.1
84.04507	0.7
84.08138	1.8
85.02882	0.9
86.06078	6.6
89.53732	0.5
89.71334	0.5
91.05483	1.4
93.07071	2.4
95.04925	1.3
95.08588	2.8
96.08138	4.0
97.02893	0.6
97.06549	1.0
98.06062	1.9
98.09701	6.0
99.00839	0.5
99.04459	2.1
99.08099	3.4
102.10232	0.5
105.07027	0.9
105.68459	0.4
107.08577	1.0
108.08142	2.4
109.10176	0.8
110.09631	0.8
111.08093	2.7
114.09161	0.9
116.10741	27.2
119.08591	1.9
121.06495	1.5
121.10123	0.5
122.09682	2.2
124.07619	0.9
126.09170	1.1
133.10147	0.8
135.11696	0.5
136.11145	0.9
139.07504	0.8
142.08655	0.6
143.10712	3.6
145.10149	0.7
147.11729	0.6
152.70720	0.5
154.15900	2.7
157.08589	2.1
161.13329	0.5
164.14420	0.5
166.15938	2.4
166.71690	0.5
168.17456	1.2
175.09679	0.7
178.15915	1.6
182.11707	0.5
183.10190	3.2
185.11613	0.5
194.15579	0.5
196.16997	6.4
201.11247	1.8
212.16577	0.6
214.18037	100.0
215.18393	0.6
229.47437	0.5
236.16476	1.6
254.17528	11.4
272.18558	5.7
273.09821	0.6
291.03326	0.5
352.24658	0.7
370.18561	3.2
370.25720	0.5
388.19678	36.6
461.26245	0.5
468.26273	0.6
486.27191	10.5
486.33649	0.4
487.21323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.8
57.03420	8.5
57.07064	3.9
61.02923	18.0
67.05509	24.2
69.03426	6.9
69.07073	18.0
71.04987	4.8
71.53244	5.4
72.08091	3.5
73.02912	6.0
79.05482	36.0
81.03384	4.7
81.07056	27.2
83.08609	6.2
84.08132	2.4
85.02919	18.3
85.06537	6.0
86.09686	8.3
91.03934	5.9
91.05483	43.9
93.07038	47.5
95.04973	8.5
95.08604	26.6
97.02892	12.0
97.06534	7.5
99.08088	3.6
105.01830	4.2
105.07036	46.6
107.04977	4.6
107.08611	27.1
109.06520	5.7
109.10139	10.3
117.06995	12.7
119.08588	48.9
121.10152	31.5
123.08045	4.3
127.03891	2.8
128.06123	3.2
129.05472	6.0
129.06996	17.0
131.08577	21.2
133.10141	63.2
135.07968	3.9
135.11716	20.4
143.08545	6.2
144.41820	2.9
145.04982	4.8
145.10133	29.2
147.08020	6.1
147.11685	55.6
149.09625	11.5
154.26254	2.8
157.10130	18.0
159.11667	15.3
161.09647	4.3
161.13234	6.3
163.11151	3.9
169.10086	4.2
171.11688	22.8
173.13301	6.4
175.11200	8.6
185.13309	7.3
187.14836	10.4
189.16345	20.7
203.14256	4.2
203.17934	16.7
213.16426	53.1
215.17778	3.4
231.17438	79.2
249.18468	10.6
305.21072	13.1
321.20816	4.6
323.22168	100.0
324.22229	4.0
335.21948	3.9
347.22083	3.0
347.84244	3.4
357.20264	2.8
368.90335	2.5
389.23392	2.9
413.23029	7.3
449.25726	3.2
467.26544	7.7
485.22733	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	486.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93723	0.6
53.03945	2.5
55.01876	1.1
56.96550	1.0
57.03440	2.2
61.02932	2.0
67.05499	2.4
69.03443	1.3
69.07059	1.4
70.06598	6.4
70.11208	2.8
70.78197	0.6
71.05008	1.0
72.08144	3.6
72.51820	0.6
79.05495	1.8
81.03423	100.0
81.07050	1.4
83.04987	2.2
84.04517	1.9
84.08156	2.7
85.02905	5.1
86.06056	0.8
86.09716	6.3
91.03943	1.1
91.05488	7.1
93.07049	4.2
93.20110	0.6
95.04985	1.6
95.06083	0.9
95.08615	1.5
97.02884	3.8
97.06522	1.1
98.21510	0.8
98.97620	1.6
104.10767	2.5
105.07047	1.5
107.08604	1.1
109.02895	0.9
109.10123	1.0
116.98685	1.0
119.04945	1.2
119.08595	11.9
120.08114	1.4
121.06527	4.2
123.04452	2.3
123.08093	3.0
127.03903	1.6
129.10255	0.9
130.05031	0.8
136.07587	1.4
137.09625	15.8
145.04944	1.0
147.04382	3.2
147.08075	5.1
149.05937	0.7
150.13184	0.7
152.05679	5.9
153.06667	0.7
155.11798	0.9
165.09125	61.1
183.10196	3.0
184.07365	1.9
204.10248	0.7
207.10129	0.8
219.01773	1.0
237.02901	1.6
239.12804	19.1
257.13861	74.5
258.14151	1.2
271.15347	1.6
281.13907	6.6
324.08646	2.3
335.15036	1.3
383.16977	0.8
450.23123	1.0
483.14798	0.7
486.25555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12945	0.5
53.03931	0.9
55.05523	1.0
61.02923	0.5
67.05518	3.4
69.03094	0.7
69.03438	9.6
69.07069	1.2
69.72107	1.8
69.72512	1.1
71.05004	0.6
72.08145	0.6
76.02190	0.5
79.05483	2.1
81.03431	1.7
81.07074	2.9
83.04974	2.0
84.04478	1.5
85.02913	4.8
85.06534	2.3
86.09723	0.7
86.26030	0.5
87.00840	3.4
90.58691	0.5
91.05495	2.4
93.07054	13.8
95.04984	0.8
95.08609	2.3
97.02897	1.2
97.06543	1.3
99.04459	0.7
105.01871	5.8
105.07027	2.3
107.04891	0.7
107.08607	6.5
107.47182	0.5
109.02855	1.5
109.06517	2.7
109.10168	9.5
110.55886	0.5
111.08084	3.0
117.07024	1.1
119.08607	2.8
121.06509	2.4
121.10155	4.0
122.07303	1.8
123.08073	4.1
123.11724	2.9
123.12472	0.5
125.09657	0.9
127.03922	3.5
130.04997	0.8
131.08607	0.6
133.10133	1.7
135.08076	9.3
135.11708	22.4
137.09631	26.7
138.01646	0.5
145.04938	1.6
145.10159	3.5
149.09616	1.0
149.13239	0.9
159.11714	2.6
161.09618	3.3
161.13261	1.9
163.11197	6.6
166.08583	1.2
173.13371	0.7
175.14818	0.6
176.11998	4.4
177.12715	1.2
177.16367	0.8
179.04997	0.5
182.93059	0.5
191.17935	0.6
196.17041	0.5
201.16411	4.2
219.17458	100.0
220.17761	1.2
231.04967	1.2
237.18466	4.9
249.05962	1.1
353.43207	0.5
420.76801	0.5
457.52371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79729	0.9
70.06580	2.2
70.49276	2.5
84.08160	1.1
87.98872	0.8
91.05479	1.0
115.05460	1.1
117.05726	1.2
117.06992	1.1
118.06541	13.8
130.06500	1.1
132.08119	5.8
142.06508	1.8
143.07318	2.0
144.08095	12.7
146.06015	60.4
147.06287	1.0
149.59218	0.9
159.09164	5.3
160.07448	0.8
170.06052	4.7
188.07071	100.0
189.07393	1.9
190.07648	0.8
192.25758	0.9
205.09734	42.4
224.80820	0.8
281.11194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34214	2.5
50.51950	2.3
53.03951	5.0
55.01872	3.6
55.05527	12.1
57.03424	11.2
57.07066	4.4
59.39669	2.2
61.02924	18.9
65.03915	2.4
67.05507	26.2
69.03416	8.1
69.07082	12.1
69.88048	2.1
71.04993	6.8
71.38586	3.9
73.02920	4.6
76.63357	2.2
79.05496	34.1
81.03421	5.0
81.07056	37.3
83.04976	3.9
83.08624	7.3
85.02911	17.0
85.06554	4.9
91.03948	6.0
91.05476	44.4
93.07049	43.2
95.04972	6.1
95.08607	28.8
95.37588	2.5
97.02923	12.5
97.06570	5.1
99.08121	3.4
105.07030	53.0
107.08612	31.6
109.06564	2.4
109.10136	9.2
111.04389	2.8
111.08112	3.3
117.06989	12.9
119.08589	51.3
121.10136	33.1
123.08105	2.9
123.11770	2.8
127.03939	3.3
128.06267	4.0
129.05464	6.4
129.06995	10.8
131.08562	17.7
133.10136	65.4
135.08047	6.1
135.11685	20.3
135.38054	2.9
137.09653	4.4
143.08569	10.9
145.10144	24.4
147.07936	2.7
147.11688	58.4
149.09625	7.5
149.13246	4.8
155.08508	3.0
157.10118	20.0
159.11714	11.3
161.09596	5.6
161.13248	6.0
163.11243	6.5
169.10123	5.4
169.15375	2.6
171.11719	21.3
173.13193	3.8
175.11150	7.0
175.14787	3.9
185.13275	7.5
187.11270	2.7
187.14810	7.7
189.12724	6.0
189.16362	17.6
196.69881	3.0
203.14325	5.7
203.17920	15.1
213.16399	46.8
214.18092	17.7
231.17453	75.6
243.17169	2.8
249.18561	7.4
257.56528	2.3
299.88333	2.3
305.21082	14.6
321.20694	4.9
323.22174	100.0
335.22314	4.4
347.22244	4.5
413.22952	8.1
431.24179	3.4
449.25327	6.4
467.26273	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05495	1.9
57.07064	0.8
61.02909	0.7
63.25314	0.4
67.05506	3.3
69.03437	4.2
69.07074	2.3
70.76328	1.0
70.76691	0.7
72.07756	0.5
79.05492	2.2
81.03413	1.6
81.07050	4.7
83.04990	0.8
83.08619	1.2
84.04470	0.5
84.08126	0.5
85.02906	5.0
85.06567	0.7
86.09695	0.7
87.00835	2.4
91.05476	2.1
93.07043	5.7
95.04969	0.5
95.08595	3.7
97.02875	1.9
97.06528	4.2
100.40962	0.5
105.01858	4.8
105.07016	2.0
107.08600	5.8
109.02853	1.1
109.06513	1.2
109.10163	4.6
111.08084	35.4
117.07025	0.9
119.08590	3.4
121.06494	1.2
121.10153	4.7
123.08077	1.3
123.11705	6.3
127.03928	2.8
131.08551	1.6
133.10118	2.1
135.08034	2.1
135.11693	14.9
137.09625	1.0
145.04936	1.2
145.10132	3.5
149.09619	9.9
149.13167	0.7
159.11707	1.9
161.09564	0.6
161.13240	6.1
163.11163	5.0
175.14755	0.9
176.88855	0.5
177.12730	0.9
177.16451	2.5
189.12724	1.0
191.17973	1.3
197.93802	0.6
201.16376	2.2
214.61729	0.5
219.17448	100.0
220.17807	0.7
231.04913	0.9
237.18524	6.6
351.43628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13993	0.2
53.03936	0.4
55.01874	0.3
55.05511	0.9
55.43658	0.2
57.03436	0.3
57.07064	0.2
57.77335	0.1
58.75771	0.2
66.53417	0.2
66.85959	0.2
67.05503	1.3
69.03419	0.8
69.07053	0.8
69.40516	1.2
69.98866	0.2
76.02241	0.2
79.05480	0.9
79.81526	0.2
81.03414	0.6
81.07065	1.3
83.04969	0.4
83.08617	0.5
84.04494	0.2
85.02902	1.6
87.00818	0.9
91.05474	0.7
93.07041	2.9
95.08612	1.8
97.02897	0.5
97.06532	4.2
99.04504	0.2
105.01876	1.1
105.07037	2.0
107.08599	3.6
109.02892	0.3
109.06500	0.4
109.10156	3.1
111.08085	14.2
117.07004	0.2
119.08576	2.3
121.06498	0.4
121.10142	4.1
123.08044	1.1
123.11698	0.8
127.03945	1.2
129.01833	0.2
131.08557	0.6
133.10121	0.8
135.08066	2.7
135.11703	4.2
137.09622	0.8
138.64131	0.2
143.08536	0.3
145.04909	0.4
145.10114	1.9
147.11688	4.0
149.09663	0.8
149.13239	0.3
159.11705	1.8
161.09619	0.3
161.13252	0.9
163.11192	6.6
163.12569	0.4
173.13217	0.4
175.14799	0.5
176.12001	0.5
177.12804	0.6
177.16400	0.4
189.12750	3.7
191.14478	0.2
191.17876	0.3
201.16393	1.9
204.15103	9.2
219.17442	100.0
220.17780	1.5
231.05067	0.3
237.18501	19.9
238.18906	0.3
249.06177	0.4
350.78687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.4
57.03442	7.7
57.07081	8.0
67.05513	3.8
67.19532	0.7
69.07073	22.8
69.28735	5.3
71.08637	4.8
77.78036	0.6
79.05470	2.2
81.07047	3.8
83.04990	0.8
83.08620	19.4
85.10176	1.9
85.10698	0.7
93.07041	1.9
95.08605	3.5
97.06516	2.0
97.10172	12.4
98.20767	0.9
98.98473	9.4
107.08602	2.1
109.10138	1.4
111.08131	0.9
111.11714	3.3
121.10143	2.3
123.11792	1.1
125.13241	1.0
135.11690	1.7
155.01045	4.8
165.66426	0.7
173.02087	0.9
175.99939	0.6
229.04675	0.7
237.22121	1.2
307.74228	0.8
311.25812	100.0
447.25021	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
53.15258	2.1
55.01864	8.0
55.05512	14.4
57.03436	4.1
57.07071	5.9
60.22830	2.6
61.02918	2.7
67.05510	26.1
68.99802	3.2
69.03435	24.0
69.07069	13.7
70.06589	3.9
71.04992	18.9
71.51721	2.6
72.08141	3.3
72.59141	2.1
73.02924	3.9
79.05479	19.1
81.03417	18.6
81.07063	87.4
83.05000	6.8
83.08619	4.6
84.08128	3.1
84.84300	2.5
85.02912	39.0
85.06534	2.9
86.09698	6.1
87.00835	14.9
91.05479	29.0
93.06486	3.9
93.07048	47.9
95.04975	13.1
95.08613	39.4
97.02905	17.0
97.06525	7.9
97.10176	3.0
99.04446	4.5
99.08075	5.0
103.05473	2.7
105.01839	9.2
105.04529	2.7
105.07036	96.7
107.07895	2.5
107.08601	42.2
109.02887	12.6
109.06506	5.6
109.10159	40.3
115.03925	10.3
117.07014	7.4
119.04932	3.1
119.08591	56.6
121.06493	5.4
121.10159	28.7
123.05487	4.7
123.08079	7.0
123.11712	28.9
125.09640	23.2
127.03903	17.9
127.07577	5.4
127.11208	5.2
128.06198	2.8
131.08583	12.6
133.10139	63.6
135.11717	18.9
135.59200	2.7
137.09599	8.9
143.08574	5.4
143.10698	12.2
145.04988	5.5
145.09128	3.6
145.10117	19.8
147.07991	3.2
147.11703	100.0
149.13272	7.0
150.35178	2.5
151.07509	2.9
151.11159	7.0
155.08565	3.1
157.10147	10.8
159.02888	5.6
159.11729	21.0
161.09596	7.0
161.13235	12.5
163.07544	4.6
165.12779	3.4
167.10580	3.6
169.10097	3.5
171.11670	7.4
173.13275	4.6
189.03925	3.4
201.03815	3.1
201.16357	15.4
203.17926	21.3
209.11703	3.0
219.13933	2.5
219.17442	36.2
221.19034	3.6
229.15852	3.7
233.11729	6.6
235.02531	2.5
237.18541	6.7
243.17485	3.8
247.04483	5.5
327.19647	2.8
369.76999	2.8
377.43552	2.6
449.21448	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01866	0.5
55.05513	1.5
57.03414	0.5
57.07062	0.7
59.93418	0.3
61.02913	0.3
67.05505	2.0
69.03430	4.0
69.07066	2.4
69.12383	0.3
69.28197	0.9
69.28623	1.7
71.04997	0.4
79.05482	1.3
80.61343	0.3
81.03422	1.4
81.07054	4.0
83.04975	0.3
83.08616	1.9
85.02449	0.4
85.02917	5.1
85.06539	0.3
87.00839	2.8
91.05465	1.5
93.07043	5.1
95.04947	0.5
95.08616	3.1
97.02886	1.2
97.06532	4.2
99.04472	0.6
105.01868	5.7
105.07033	2.2
107.04955	0.4
107.08593	5.4
109.02858	1.2
109.06518	0.9
109.09479	0.3
109.10160	3.5
111.08086	23.8
117.07018	0.9
119.08591	2.8
121.06509	1.4
121.10149	3.7
123.08109	1.5
123.11713	4.9
125.09614	0.7
127.03914	3.1
131.08556	1.2
133.10170	1.6
135.08072	3.1
135.11694	12.2
137.09583	0.7
145.04944	1.4
145.10124	3.4
147.11604	0.3
149.09627	9.0
149.13272	1.0
159.02846	0.5
159.11684	2.5
161.09586	0.9
161.13258	6.2
163.11185	15.3
173.13318	0.4
175.14835	0.6
176.11955	0.9
177.12738	1.2
177.16357	1.8
189.12816	0.4
191.17970	1.2
201.16394	2.6
204.15118	1.0
219.17447	100.0
220.17786	1.3
231.05031	1.2
237.18500	12.7
249.06078	0.4
357.37143	0.3
381.28992	0.3
468.34750	0.3
501.82962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01868	1.9
55.05500	2.5
55.55847	0.6
56.14219	0.7
57.03428	2.2
61.02921	1.7
65.03935	0.9
67.05514	5.4
69.03435	10.5
69.07069	4.5
71.04998	1.0
71.52431	1.0
72.08125	0.9
73.02927	1.2
79.05079	0.7
79.05499	8.4
81.03422	8.9
81.07062	14.6
83.01305	0.6
83.04990	7.5
83.08615	1.5
84.04505	0.8
84.08140	1.4
85.02444	1.1
85.02914	16.1
85.06551	0.8
87.00837	5.8
87.04475	0.7
91.03976	0.6
91.05484	11.3
93.07055	15.0
95.04957	2.4
95.08610	9.8
97.02896	5.4
97.06541	4.6
99.04463	2.8
103.05437	1.0
105.01873	4.1
105.07041	15.1
107.04977	3.0
107.08600	9.6
109.02891	4.9
109.06520	3.9
109.10170	4.8
111.08085	8.7
115.05509	0.7
117.01873	1.1
117.07022	2.4
119.08592	17.9
121.06501	3.1
121.10153	8.5
123.08066	5.5
123.11710	0.9
125.09627	1.7
127.03917	10.4
128.06245	1.1
129.01830	1.2
129.07039	1.4
131.04947	0.8
131.08583	4.9
133.06627	0.8
133.10147	9.4
135.08058	3.6
135.11723	1.7
137.05981	1.5
137.09598	4.0
142.07806	1.8
143.08557	6.1
144.09270	1.0
145.04990	3.9
145.10132	4.4
147.08078	4.9
147.11705	7.3
149.09624	2.1
156.09375	0.7
157.10132	7.3
159.02905	2.7
159.08130	0.8
159.11694	8.7
161.09624	5.2
161.13329	1.7
163.11203	2.5
165.09129	1.4
171.08092	1.2
171.11615	3.1
173.09656	1.1
173.13272	4.2
175.02406	1.4
175.11234	2.8
175.14865	6.1
176.94829	0.7
177.12724	6.8
184.12358	0.6
187.14940	0.8
189.12772	1.5
189.16379	3.8
197.13216	0.7
199.14842	8.6
205.75061	0.8
207.06606	0.9
217.15889	15.8
219.53941	0.6
231.04778	1.2
235.16951	100.0
236.17160	0.8
245.15543	0.6
260.06427	0.6
270.52298	0.6
286.17490	0.6
301.10739	0.7
302.10977	1.3
317.70718	0.7
319.07175	2.2
320.07330	1.6
321.07626	1.9
349.21634	1.0
399.19891	0.7
429.29327	0.7
444.79745	0.6
465.25327	1.2
483.24823	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12543	0.8
56.91840	1.0
56.96563	1.7
69.50205	3.8
69.50631	1.8
82.99873	3.7
85.02917	2.7
94.93004	1.7
94.99825	1.1
97.02894	2.1
98.97583	2.7
101.00892	17.6
108.38174	0.9
109.02921	1.2
110.97609	1.0
111.37281	0.8
113.00887	4.5
115.02416	1.5
119.01932	17.6
125.00938	1.0
127.02395	4.4
131.00241	1.2
131.01918	13.0
133.03513	1.8
137.00830	1.6
137.03009	0.9
139.02411	2.7
143.00221	1.1
143.01907	28.9
145.03471	11.3
147.01471	1.6
149.02899	1.5
153.03958	1.4
155.01907	28.7
157.03502	9.1
158.99629	1.1
159.01418	2.0
161.02966	18.6
164.06421	0.9
167.01900	14.3
169.03499	4.9
171.05017	1.8
173.02966	36.1
175.04588	2.0
177.02466	5.9
179.01878	5.7
181.03444	1.3
183.01395	3.8
183.05011	1.8
184.04636	1.1
185.02965	49.3
187.04544	5.5
191.04044	1.3
195.01385	1.4
196.04500	0.9
197.02954	15.1
198.19275	1.0
201.00874	2.3
201.02460	64.7
203.04036	11.7
205.36911	1.1
209.02979	3.6
213.02477	13.8
215.04019	9.9
219.03519	84.7
221.05086	4.9
224.04057	1.5
225.02472	3.5
227.03951	11.6
231.03563	9.3
233.05157	1.5
237.02541	3.8
237.04663	1.5
242.05141	2.3
243.03577	4.1
245.05095	100.0
246.05313	2.0
249.04575	5.5
255.03514	4.9
257.05038	7.1
260.89691	2.7
261.04617	20.3
263.06128	11.7
273.04556	2.1
275.06107	14.5
279.05594	5.9
281.07065	1.6
285.04694	1.8
291.05505	1.1
293.07312	3.2
303.05643	31.0
305.07178	13.6
317.07053	1.3
321.06714	47.5
335.08173	3.9
339.07742	1.5
349.10764	1.2
363.07663	3.0
365.09299	12.8
393.09061	1.0
455.58420	1.1
483.11978	47.8
484.12308	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01872	0.9
55.05318	0.5
55.05515	5.2
55.47029	0.5
57.03446	5.0
61.02922	2.2
61.04005	0.5
65.03906	0.5
67.05183	0.7
67.05509	8.1
69.03413	2.1
69.07077	3.0
69.60366	3.2
70.06582	2.0
71.01369	0.6
71.04975	2.2
72.08147	0.6
73.02925	0.9
75.09049	0.5
76.94559	0.5
77.76415	0.5
79.05499	8.7
81.03422	27.7
81.07060	12.1
83.04984	6.5
83.08624	10.9
84.08128	2.0
85.02909	11.9
85.06541	1.4
86.09699	2.3
91.03946	0.9
91.05483	9.7
93.07049	5.4
95.04974	10.2
95.08606	2.9
97.02888	2.3
97.06525	2.1
97.10194	1.2
99.08104	1.1
105.06393	0.9
105.07037	9.9
107.04958	2.0
107.08586	2.0
109.06507	2.2
109.10136	1.0
111.04447	1.3
111.08109	4.9
113.06017	1.3
117.07034	0.8
119.08600	7.3
120.08126	2.6
120.08876	0.6
120.19994	0.6
121.06530	0.6
121.08472	0.9
121.10159	3.1
123.08053	1.2
123.11707	0.6
125.09641	0.6
129.07007	4.4
131.08595	4.8
133.06459	1.5
133.10143	4.3
137.09631	0.9
142.07736	0.9
145.10086	0.6
146.10445	0.6
147.08018	1.0
147.11699	8.1
149.09607	2.1
157.10121	6.4
165.12729	1.5
166.08662	0.9
173.12859	0.6
175.11179	7.1
193.12263	27.6
211.13289	18.8
229.14487	0.6
232.11713	1.4
266.10196	1.2
267.15924	8.4
282.11365	0.6
285.16974	100.0
286.17157	0.7
428.28165	1.3
429.20868	0.8
446.29120	2.5
447.22827	2.5
448.02310	0.6
464.29877	2.4
482.31012	2.3
491.71146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05510	5.6
57.03439	3.4
61.02919	3.2
67.05499	7.5
69.03420	2.9
69.07070	3.2
70.04294	3.4
71.04990	1.9
73.02922	1.2
79.05506	9.0
81.03424	32.4
81.07056	8.6
83.04989	6.8
83.08623	12.5
85.02904	10.0
86.89954	1.0
91.03986	1.6
91.05484	9.3
93.07037	6.2
95.04973	11.6
95.08607	3.7
97.02905	2.7
97.06570	1.3
97.10207	1.7
98.20850	1.5
105.07039	9.1
106.11324	0.9
107.04973	3.2
107.08610	3.7
109.06533	1.6
109.10156	1.2
110.59308	0.9
111.04474	1.0
111.08092	6.4
113.66585	0.8
119.08589	8.3
121.10181	2.9
125.07284	0.9
125.09640	1.5
129.07016	3.5
131.08575	4.5
133.10127	3.6
136.96776	0.9
142.07750	1.2
145.05042	1.4
147.08098	2.2
147.11693	7.8
149.09618	4.2
153.12776	3.5
157.10132	7.4
163.11203	1.1
165.12776	2.9
175.11192	8.8
193.12257	38.1
206.98973	1.0
211.13301	32.4
211.15331	1.9
229.14363	1.9
240.56427	1.0
250.14093	0.9
267.15942	16.7
285.16983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18748	0.3
56.05031	0.9
57.07081	3.3
58.06603	1.3
59.07404	0.3
60.08168	17.5
67.05499	1.0
69.07069	0.8
70.56804	0.9
71.07377	6.5
71.08635	2.1
74.86514	0.4
79.05470	0.3
81.03400	0.4
81.07050	1.1
83.08627	0.4
84.08141	0.4
85.10184	1.1
86.09710	45.8
95.08650	1.5
98.98470	2.8
104.10749	100.0
105.07049	0.4
107.08606	0.4
109.10150	0.4
125.00014	26.9
143.01057	0.4
157.60416	0.3
163.01605	0.9
184.07349	97.3
185.07799	0.3
258.11011	1.0
299.25778	3.1
464.31409	9.2
482.32468	38.7
483.32870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.5
57.59504	1.2
69.03415	1.4
70.06605	1.8
70.98109	4.1
71.51613	1.5
71.51964	1.2
72.17402	1.2
81.03440	1.4
82.99871	3.4
84.04497	1.8
84.96022	2.7
85.02904	3.8
86.03300	1.0
91.05493	1.5
97.02910	3.1
98.97578	15.6
101.00883	13.7
109.02898	1.8
110.97582	4.6
112.99141	1.9
113.00906	5.3
113.21542	1.2
115.02547	1.2
116.98626	6.4
119.01152	2.0
119.01936	20.8
127.02434	3.2
127.03942	3.1
128.98611	5.5
131.01897	16.7
133.03450	2.0
134.99696	2.0
135.04485	1.7
136.07468	1.8
137.01903	2.2
137.02895	2.1
139.02426	3.3
143.00172	2.4
143.01906	27.4
144.51321	1.4
144.98129	1.3
145.00783	1.4
145.03468	11.7
145.04971	1.6
146.99646	5.7
147.01369	2.9
147.04420	3.3
149.02986	1.5
153.98601	2.9
154.00443	1.2
155.01892	28.8
157.03482	10.9
158.99702	5.1
159.01384	3.3
161.01193	1.6
161.01407	1.8
161.02963	21.4
162.99126	5.4
163.03864	6.4
165.00726	2.3
167.00423	1.8
167.01860	12.8
168.01894	1.9
169.03500	3.8
170.99684	1.5
171.05078	2.7
172.97614	2.1
173.01456	2.2
173.02977	44.3
174.99161	4.5
175.04536	1.6
176.00813	2.9
177.00739	3.7
177.02455	3.9
179.00520	1.5
179.01955	5.2
183.01511	2.8
183.04817	1.6
185.01445	1.6
185.02965	47.9
186.99281	1.5
187.03020	1.5
187.04550	5.3
188.00760	2.0
190.98633	1.8
193.00282	2.5
195.03490	1.8
196.04549	1.4
197.02943	18.6
201.00746	3.3
201.02444	63.2
203.03998	19.0
203.53943	1.3
205.00229	5.1
207.01624	1.3
209.03003	4.9
211.04695	1.5
212.04221	1.9
213.02464	14.9
215.04015	9.5
218.01868	1.5
219.01765	5.8
219.03523	89.7
221.03011	2.1
221.04962	9.1
223.00998	1.5
223.99182	3.0
224.04301	1.9
225.02550	3.0
227.04091	9.9
231.03535	11.1
232.99792	3.3
237.02654	9.5
237.04840	1.9
239.02252	3.3
239.06339	2.4
242.05142	3.4
243.03514	5.0
245.05084	100.0
246.05286	1.5
247.01256	1.9
249.04602	8.3
250.98222	1.4
253.01407	1.8
255.03671	6.3
257.05222	6.4
260.02917	1.9
261.04672	17.4
261.07492	2.0
263.06131	12.4
265.05905	1.6
273.04782	1.9
275.06143	20.8
279.05603	5.6
284.06253	3.7
285.04596	3.1
287.06152	1.7
291.05634	1.7
293.07172	2.5
303.05670	32.6
303.08868	1.3
304.08572	2.0
305.01761	2.8
305.07095	17.8
307.08566	2.0
321.06693	49.5
322.09619	5.6
335.08224	4.4
349.10883	21.7
363.07562	4.2
365.05142	4.6
365.09314	13.4
367.08746	2.7
483.11798	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01889	1.6
55.05511	11.5
57.03438	3.7
57.07087	2.7
58.06594	2.5
59.04995	1.7
60.04514	4.5
61.02927	2.3
65.03954	2.1
67.05513	16.6
69.03420	3.2
69.07074	49.3
69.51968	3.0
69.52373	7.9
70.06590	5.3
71.05023	3.0
72.08146	3.9
79.05496	17.4
81.03407	5.0
81.07062	63.0
82.26665	1.5
83.04974	4.1
83.08629	5.7
83.71119	1.8
84.08158	2.1
85.02901	7.6
85.06529	7.9
86.09700	3.7
88.55161	1.5
91.05489	15.4
93.07052	22.1
93.65079	1.8
95.04972	6.0
95.08606	17.1
96.08974	1.5
97.02890	4.8
97.06532	17.8
97.10187	6.4
99.08098	21.5
105.07050	24.9
107.04953	4.6
107.08601	34.6
109.06525	6.5
109.10190	11.1
111.08105	6.0
117.07024	6.3
119.04951	14.7
119.08625	12.9
120.08113	3.1
121.06513	8.4
121.10159	8.9
123.08102	10.1
123.11713	5.4
125.09644	36.4
125.10562	2.2
127.03952	2.8
127.11216	5.9
128.06247	2.0
129.07025	6.2
131.08585	19.4
133.06512	3.5
133.10138	13.1
135.08066	5.7
135.11713	5.5
136.06223	4.1
137.05989	8.4
137.09598	3.7
139.07730	1.7
139.11217	2.1
140.10721	2.6
141.06964	1.8
141.11143	2.0
142.07834	2.9
143.07013	2.1
143.08603	10.7
143.10704	15.9
145.06491	3.6
145.10135	15.7
147.08049	8.7
147.11705	6.0
149.05966	3.1
149.09639	4.5
149.13290	4.5
152.05734	3.0
153.09140	2.0
154.07771	2.4
155.08591	6.9
157.06471	2.2
157.10094	9.7
158.11794	2.0
159.08072	8.4
159.11708	13.3
161.09644	4.8
161.13275	4.3
163.03935	1.8
163.11217	3.6
163.14803	1.6
165.06935	1.7
165.09120	2.1
165.12769	15.3
167.08603	1.9
168.09402	2.7
169.10158	6.5
171.08110	4.6
171.11687	9.2
173.09651	19.5
173.13292	4.8
175.11102	3.8
177.12790	3.5
179.14391	1.9
181.06569	1.9
181.10150	6.8
183.08163	1.7
183.11685	8.1
185.09639	5.3
185.13297	3.6
187.11198	5.6
187.14876	2.3
189.09174	4.2
189.12793	2.5
191.10675	6.9
192.09418	1.7
193.10228	2.2
195.08035	1.6
195.11705	7.0
197.09607	4.3
197.13275	8.1
197.19125	2.0
199.11224	8.1
199.14711	2.0
201.09599	1.8
201.12785	4.0
205.10185	1.8
209.09750	2.2
209.13335	3.2
211.11182	3.5
211.14934	3.0
213.12677	3.6
215.10684	1.7
215.14354	6.1
215.18167	1.7
215.20093	2.5
217.12370	1.9
219.11867	2.7
219.13901	2.1
221.13420	1.8
223.11218	3.3
223.14810	9.6
225.12798	5.2
225.16469	4.8
227.14264	3.0
229.12259	3.1
229.15942	1.8
233.15372	2.5
235.14926	2.9
237.16426	7.1
239.14351	3.5
240.98608	2.0
241.15988	2.8
247.14830	3.8
251.17943	2.6
253.15652	2.0
253.19684	2.6
255.17479	4.2
265.15869	12.8
267.17459	10.2
271.17007	1.9
275.17950	1.9
277.19757	2.0
283.17007	20.6
285.18561	20.3
287.16388	1.7
293.19067	3.3
295.20508	7.7
299.28214	1.7
301.18103	3.9
303.19565	4.4
305.28488	1.9
311.20261	7.7
313.21649	5.0
317.06601	6.7
318.06903	6.6
319.07059	12.5
319.19031	2.2
329.21060	2.9
335.20068	13.3
339.19559	1.8
341.21356	2.5
349.25299	2.9
353.21140	52.2
371.22168	11.3
391.26260	15.0
409.27399	51.2
427.28448	62.7
445.29431	28.6
445.34641	2.3
463.30475	11.3
480.80219	2.1
481.31635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01862	3.3
55.05515	8.9
57.03444	2.8
57.07076	3.0
58.06613	2.4
58.12395	1.8
59.04993	2.0
60.04514	2.2
61.02916	3.1
65.03941	1.8
67.05523	12.0
69.03426	3.1
69.07077	48.0
70.06585	2.4
71.52519	2.4
72.08173	2.4
79.05503	14.1
81.03436	4.1
81.07066	61.0
83.04977	4.5
83.08624	3.7
84.08149	3.2
85.02908	4.5
85.06555	6.1
86.09718	4.8
91.05492	15.4
93.07056	22.0
95.04976	6.2
95.08620	16.1
97.02905	7.6
97.06532	17.3
97.10172	3.3
97.13435	1.7
99.08094	19.3
105.07043	22.7
107.04951	4.9
107.08602	27.6
109.06536	5.8
109.10162	9.3
111.08106	2.4
117.07024	4.8
119.04959	12.3
119.08593	11.9
120.08160	2.0
121.06532	6.3
121.10165	7.4
123.08080	7.7
123.11740	2.8
125.09645	32.2
125.10466	3.0
127.03922	1.7
127.11198	3.3
128.06273	2.1
129.07013	7.5
131.08594	19.1
133.06497	2.4
133.10147	12.9
133.52318	1.6
135.08095	4.7
135.11700	5.7
136.06223	4.9
137.05957	9.0
141.06992	3.1
142.07788	2.8
143.08591	10.5
143.10680	10.3
145.04996	2.3
145.06479	5.0
145.10161	12.3
147.08072	5.3
147.11690	5.4
149.09654	3.6
149.13268	2.6
152.05724	3.9
155.08565	6.8
157.10121	9.3
158.07271	2.8
159.08101	6.6
159.11749	11.4
161.09639	4.9
161.13307	3.2
163.11179	3.0
165.12785	11.0
167.08527	2.8
169.10144	5.8
171.08087	4.6
171.11734	6.1
173.09627	15.7
173.13252	4.0
175.11243	4.2
177.12770	3.8
179.08649	3.1
179.14282	1.7
181.10126	4.7
183.11703	7.1
185.09622	4.5
185.13339	2.9
187.11221	6.8
187.14796	2.0
189.09207	2.0
191.10730	9.9
195.11720	5.9
197.09647	2.5
197.13318	6.8
197.19130	2.0
199.11263	7.0
199.14861	2.0
201.12823	4.9
203.14246	2.2
205.10255	2.6
205.12309	2.6
207.11772	4.9
209.13243	4.9
211.11101	2.0
213.12779	3.8
215.14413	7.2
215.20042	1.9
217.12202	2.0
219.13828	1.9
221.13257	3.8
222.14153	2.2
223.14867	8.4
225.12788	3.3
225.16408	3.0
233.15408	4.1
237.12869	3.6
237.16466	7.4
239.14275	2.8
239.17937	2.1
241.15900	3.2
243.14056	1.8
247.14938	2.5
251.17863	3.0
253.15880	4.1
255.17455	3.9
257.19077	2.0
265.15900	12.9
267.17545	12.4
277.19522	1.9
283.17007	17.6
285.18494	19.3
293.19034	4.6
295.20633	3.9
301.18307	1.7
303.19720	2.7
311.20102	5.3
313.21616	6.2
316.42328	1.7
317.06622	5.0
318.07022	5.0
319.07217	12.3
327.23230	2.3
329.21194	2.7
335.20117	13.7
339.19797	2.6
341.21442	2.0
349.25369	2.1
353.21179	42.7
353.25266	3.4
357.20944	1.7
363.26443	2.0
371.22406	10.3
373.25308	2.8
381.27933	1.9
391.26309	14.7
409.27420	45.8
409.32437	3.0
427.28415	61.0
445.29303	29.1
463.30557	14.6
481.31653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01868	11.1
55.05514	29.4
57.03425	14.5
57.87259	3.8
65.03957	4.3
67.05507	48.7
69.03410	6.0
69.07064	34.9
69.38168	30.8
71.04988	13.9
76.48492	3.7
79.05495	60.0
81.03435	23.9
81.07056	47.8
83.04967	6.5
83.08622	15.3
85.02881	4.8
90.16983	3.7
90.54903	4.7
90.99771	3.8
91.05481	46.0
93.07048	71.5
95.04962	55.6
95.08607	30.0
97.02951	4.3
97.06536	20.2
97.10188	20.9
98.20769	7.6
105.07051	28.3
106.49173	4.3
107.04974	57.2
107.08593	27.1
109.06535	34.1
109.10143	15.4
111.08123	14.5
113.06037	5.7
117.07028	20.2
119.08540	27.7
121.06500	22.1
121.10123	16.1
123.04454	8.4
123.08064	8.9
123.11699	4.4
125.05976	10.1
125.09640	15.0
126.40589	4.1
129.07010	12.5
131.08571	21.5
133.06442	11.7
133.10133	10.7
135.08064	20.9
135.11731	6.7
137.05943	8.1
137.09604	12.1
139.07521	6.4
140.10823	4.2
141.06998	9.6
142.07710	4.0
143.07047	5.3
143.08575	11.8
145.06476	11.0
145.10104	10.4
147.04356	4.3
147.08067	18.3
147.11653	8.6
149.09645	12.4
151.11005	4.1
157.10124	10.0
159.08047	7.9
159.11646	9.5
161.05904	4.9
161.09627	5.5
163.07452	4.3
163.11177	22.3
165.09117	10.9
167.10767	5.8
169.10164	12.1
171.08037	6.4
171.10184	5.2
171.11613	6.4
173.13142	6.0
175.11119	5.3
177.09109	11.3
177.12581	4.5
178.40204	4.2
181.10085	4.8
185.09605	7.7
187.11169	12.5
189.11211	10.6
191.10680	32.3
193.12256	4.9
195.08235	6.3
195.10197	8.6
197.09650	8.0
199.11246	7.0
199.13257	5.7
203.14401	4.3
205.12263	10.0
213.12921	6.0
219.13814	10.7
227.10847	7.6
229.50511	4.1
233.15585	3.9
237.12724	5.6
239.12692	5.3
245.13881	7.5
255.13632	4.3
265.14322	9.8
267.16058	5.4
273.14743	9.8
293.17508	10.1
303.17661	5.9
311.19998	10.4
321.18369	20.7
329.21112	13.4
339.19565	58.9
341.69885	4.9
357.20569	56.7
375.21732	11.2
389.23224	10.1
413.23203	17.7
431.24326	100.0
441.37314	5.3
445.25217	4.5
449.25290	41.7
463.26804	28.8
481.28705	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3165
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
53.03945	3.8
55.01868	4.2
55.05517	12.7
55.87036	1.7
57.03429	2.5
57.07080	5.0
61.02925	2.1
67.05238	1.7
67.05515	20.1
69.03423	7.5
69.07076	44.3
69.46104	10.3
70.06596	2.3
70.50375	1.7
71.04975	3.5
73.02909	1.7
79.05499	23.0
80.94897	1.8
81.03437	9.0
81.06589	3.5
81.07060	56.4
83.04968	5.7
83.08621	6.7
85.02911	4.6
85.06558	13.2
86.09738	1.8
87.04474	2.0
91.05479	19.7
93.07047	20.2
95.04999	10.3
95.08614	21.7
97.02882	5.1
97.06538	19.4
97.10171	5.0
99.08109	18.4
101.93988	1.7
105.04539	1.7
105.07040	30.2
107.04963	6.7
107.08604	31.7
109.06519	7.4
109.10169	18.5
111.08040	3.8
117.07035	7.2
119.04938	11.8
119.08618	13.5
121.06504	5.1
121.10139	12.4
123.08059	8.5
123.11723	7.0
125.09641	29.1
127.11214	9.8
129.07002	6.9
131.08575	22.1
133.06497	6.5
133.10124	17.5
135.08054	8.5
135.11687	8.9
137.05988	10.7
137.09613	4.2
139.11157	4.8
142.07741	2.0
143.08607	11.3
143.10675	11.8
145.06470	4.4
145.10150	19.9
147.08064	6.5
147.11697	7.8
149.09619	5.8
149.13208	4.5
151.07565	4.4
151.11194	2.6
155.08563	7.6
157.10164	14.9
159.08067	5.6
159.11703	14.0
161.09656	4.7
161.13261	3.7
163.07608	2.6
163.11177	4.0
165.12755	16.0
167.08629	4.4
169.10117	6.6
171.08066	4.1
171.11722	8.9
173.09630	13.0
173.13290	6.5
175.11263	4.6
177.12729	5.1
181.10124	6.3
183.08054	2.6
183.11725	9.1
185.09607	2.3
185.13251	4.2
187.11163	7.5
189.09021	2.4
191.10689	8.5
193.10175	4.2
193.12270	2.0
195.11688	4.2
196.12564	2.2
197.09605	4.5
197.13191	12.2
199.11221	7.7
199.14699	2.1
201.12796	3.4
201.16484	2.4
207.09792	1.9
207.11775	3.3
209.13312	5.6
211.11246	2.8
211.13158	4.0
211.14957	4.3
213.12787	3.4
215.14326	5.6
221.13252	3.8
223.11285	2.7
223.14830	5.6
225.12756	5.5
225.16391	4.2
227.14401	4.4
229.16014	2.1
231.48387	2.0
233.15479	2.5
237.16403	5.2
241.16010	2.2
243.17509	2.9
247.14796	3.0
253.16089	2.9
253.19411	3.3
255.13960	2.8
255.17412	3.3
257.18921	2.3
265.15811	5.8
265.25400	2.1
267.17401	6.3
269.19000	3.6
283.16919	9.3
283.26257	3.0
285.18591	19.1
295.20544	6.2
301.18134	3.1
303.19568	10.7
311.20041	5.1
313.21545	5.2
329.21198	2.5
335.20090	7.4
349.25397	3.1
353.21176	30.0
357.20685	2.9
371.22202	43.1
381.28021	6.5
391.26355	9.6
399.28857	10.1
409.27448	30.3
417.30261	11.1
427.28479	70.0
441.57608	2.3
445.29562	40.5
463.30774	17.2
481.12695	2.3
481.24225	10.8
481.31604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12933	0.2
53.03949	0.3
55.01858	0.4
55.05523	0.4
57.03419	0.5
60.04532	6.2
61.94342	0.3
67.05525	1.3
69.03430	0.4
69.07074	1.8
69.69193	1.5
70.02953	0.5
70.06600	1.9
71.04974	0.3
72.04497	0.4
72.08150	0.4
79.05496	1.2
81.03412	0.9
81.07058	3.4
81.89480	0.3
83.04980	1.9
84.04493	0.6
84.08136	0.4
85.02893	0.8
86.09711	22.9
87.05608	4.6
88.04015	0.3
91.05482	1.4
93.07072	2.3
95.04973	0.5
95.08609	1.0
97.02900	0.7
97.06541	0.9
98.20790	0.3
99.08089	0.6
103.05483	2.9
105.07041	0.7
107.04951	0.8
107.07968	0.3
107.08604	1.7
109.02789	0.3
109.06535	0.4
109.10144	0.6
110.07121	0.3
116.07031	0.3
117.07040	0.4
119.08580	0.5
120.08113	100.0
121.06549	0.3
121.08442	0.6
121.10120	0.7
123.08067	0.4
125.09611	1.0
126.05532	0.4
127.11193	0.3
128.10739	3.1
129.06993	0.3
131.04892	0.3
133.10153	0.5
134.04489	0.5
135.11713	0.6
136.07533	0.4
137.05989	1.0
137.09633	0.5
138.05457	0.4
143.08571	0.5
143.10658	0.4
145.10135	1.2
146.05989	0.3
147.08092	0.3
149.13298	0.4
151.11140	0.4
152.07097	0.4
159.08040	0.4
159.11763	0.4
163.11176	0.7
165.09146	0.3
165.12724	0.6
171.08089	0.4
173.09689	0.9
173.12872	26.4
183.11658	0.4
191.10756	0.3
197.13219	0.3
201.12360	12.7
231.13525	0.3
233.16476	0.4
259.12787	0.3
263.10172	0.3
281.11340	33.5
283.15027	1.6
301.16357	1.3
303.16998	2.0
317.11050	0.3
348.19238	2.9
361.54047	0.4
371.22266	0.7
389.22269	0.8
391.26135	0.6
394.19739	0.4
409.27585	1.0
427.28448	1.6
445.29233	2.8
463.29855	0.6
481.22809	0.5
481.31464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12933	0.2
53.03949	0.3
55.01858	0.4
55.05523	0.4
57.03419	0.5
60.04532	6.2
61.94342	0.3
67.05525	1.3
69.03430	0.4
69.07074	1.8
69.69193	1.5
70.02953	0.5
70.06600	1.9
71.04974	0.3
72.04497	0.4
72.08150	0.4
79.05496	1.2
81.03412	0.9
81.07058	3.4
81.89480	0.3
83.04980	1.9
84.04493	0.6
84.08136	0.4
85.02893	0.8
86.09711	22.9
87.05608	4.6
88.04015	0.3
91.05482	1.4
93.07072	2.3
95.04973	0.5
95.08609	1.0
97.02900	0.7
97.06541	0.9
98.20790	0.3
99.08089	0.6
103.05483	2.9
105.07041	0.7
107.04951	0.8
107.07968	0.3
107.08604	1.7
109.02789	0.3
109.06535	0.4
109.10144	0.6
110.07121	0.3
116.07031	0.3
117.07040	0.4
119.08580	0.5
120.08113	100.0
121.06549	0.3
121.08442	0.6
121.10120	0.7
123.08067	0.4
125.09611	1.0
126.05532	0.4
127.11193	0.3
128.10739	3.1
129.06993	0.3
131.04892	0.3
133.10153	0.5
134.04489	0.5
135.11713	0.6
136.07533	0.4
137.05989	1.0
137.09633	0.5
138.05457	0.4
143.08571	0.5
143.10658	0.4
145.10135	1.2
146.05989	0.3
147.08092	0.3
149.13298	0.4
151.11140	0.4
152.07097	0.4
159.08040	0.4
159.11763	0.4
163.11176	0.7
165.09146	0.3
165.12724	0.6
171.08089	0.4
173.09689	0.9
173.12872	26.4
183.11658	0.4
191.10756	0.3
197.13219	0.3
201.12360	12.7
231.13525	0.3
233.16476	0.4
259.12787	0.3
263.10172	0.3
281.11340	33.5
283.15027	1.6
301.16357	1.3
303.16998	2.0
317.11050	0.3
348.19238	2.9
361.54047	0.4
371.22266	0.7
389.22269	0.8
391.26135	0.6
394.19739	0.4
409.27585	1.0
427.28448	1.6
445.29233	2.8
463.29855	0.6
481.22809	0.5
481.31464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05507	3.7
57.03426	2.4
61.02910	2.2
67.05247	0.5
67.05517	5.3
69.03426	2.1
69.07077	2.8
70.06567	1.2
70.95921	0.6
71.04967	1.2
71.52373	0.8
72.08137	1.4
73.02913	1.8
79.05083	0.6
79.05501	9.1
81.03403	1.7
81.07059	8.4
83.04962	1.1
83.08613	3.1
84.04516	0.7
84.08110	0.7
85.02917	4.2
85.06551	0.8
86.09715	1.4
88.11271	1.1
91.03962	1.5
91.05499	4.0
93.06481	1.1
93.07050	12.4
95.04985	2.8
95.08614	16.7
97.02900	3.0
97.06529	1.6
99.04465	2.3
99.08073	0.7
105.07030	3.4
107.04958	3.8
107.08610	9.8
109.06513	1.0
109.10159	2.1
111.04417	1.1
117.07014	3.4
119.08598	4.6
120.08128	0.7
121.06491	2.6
121.10164	6.2
122.02753	0.7
123.08073	0.6
125.05988	1.8
131.08572	0.9
133.10144	1.2
135.08115	0.9
135.11703	24.0
136.06227	1.0
139.07521	0.8
143.08592	0.8
145.10135	13.2
163.11195	36.5
167.07072	0.8
181.12257	6.6
184.07368	1.5
204.38525	0.6
209.10054	0.7
209.11783	2.2
212.04655	0.7
227.12796	45.1
241.08667	0.7
263.05688	0.5
283.15417	100.0
301.16513	4.0
317.06735	1.5
318.06976	5.3
318.13092	0.9
390.56873	0.6
444.16470	0.8
445.20227	1.0
462.28632	1.0
480.19363	1.5
480.29871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38952	1.1
55.58683	1.3
71.51961	1.1
98.68739	1.2
98.97585	2.3
101.51977	1.0
117.07083	1.6
118.06544	19.0
130.05139	1.1
130.06549	3.2
132.08073	5.4
142.06514	2.2
143.07278	1.9
144.08096	11.6
146.06018	64.1
159.09193	6.3
170.06044	3.8
188.07077	100.0
200.33365	1.1
205.09727	47.0
239.32414	1.4
277.12949	2.3
302.12717	1.6
317.11453	1.2
319.15103	3.0
325.67422	1.2
468.34238	1.1
481.13147	4.7
481.19547	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	481.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01853	2.2
55.04914	0.7
55.05517	12.9
57.03438	9.4
57.07080	9.2
59.04998	6.3
59.51147	0.7
61.02929	0.9
65.03963	0.8
67.05508	13.9
69.03430	9.3
69.07072	28.3
70.06611	1.2
71.04993	3.4
71.08643	1.2
71.41332	1.6
73.02921	2.2
73.06566	1.7
77.21692	0.9
79.05485	3.4
81.03421	9.8
81.07069	6.4
83.04997	1.4
83.08626	6.0
85.02438	1.4
85.02913	19.5
85.06550	1.8
86.09709	1.2
87.00835	10.0
87.04481	8.5
89.06046	2.5
91.05490	3.1
93.07038	3.2
95.04987	1.4
95.08616	4.2
97.02896	11.2
97.06516	1.0
97.10178	25.7
99.04467	2.9
105.01871	13.1
105.05523	8.7
105.07047	3.1
107.08617	2.9
109.02876	7.7
109.10163	43.1
111.11742	7.3
115.11214	17.4
117.01897	1.2
117.07016	1.0
119.08624	2.6
120.08150	1.0
121.06562	1.0
121.10140	2.4
123.08079	1.1
125.09649	1.7
127.03922	16.9
127.11201	100.0
129.01805	0.8
129.12764	15.0
131.08574	1.6
133.10129	1.6
137.05991	5.0
143.08636	0.8
145.04956	6.3
145.10149	2.6
145.12244	15.0
159.02939	2.9
161.09612	0.8
183.11693	0.8
187.11194	0.9
189.04102	0.9
192.31404	0.8
201.73314	0.9
213.03824	1.2
214.83493	0.7
215.09027	0.9
215.14413	1.5
215.16452	2.2
231.05019	5.6
233.17471	10.5
249.16263	1.0
285.18506	2.5
303.19513	0.8
319.07263	1.8
427.27963	1.1
437.21994	0.9
481.20380	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	480.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	6.0
57.03429	1.5
61.02943	1.0
63.32858	0.9
65.03933	2.8
67.05519	1.2
69.03392	1.1
70.06599	5.0
71.52550	1.4
72.08156	4.7
79.05487	5.6
79.20091	0.8
84.04518	1.1
84.08157	1.7
85.02894	1.2
86.09722	5.3
87.04481	1.2
91.05485	56.4
93.07040	5.1
94.04194	1.8
95.04949	4.0
95.08630	1.1
97.02878	1.2
99.96259	0.8
102.04711	1.1
103.05468	8.2
105.03397	14.2
105.07037	12.2
107.04984	7.5
108.05709	1.1
109.06512	11.8
114.09135	1.1
115.05448	1.2
115.31633	0.9
117.07043	2.2
118.04179	1.7
119.04945	85.1
119.08571	1.7
120.08125	4.9
121.06501	5.6
121.08451	1.0
122.03609	4.5
123.04421	1.1
123.08067	5.6
128.06213	0.9
129.07034	1.7
129.10207	2.5
130.04152	2.8
131.04918	6.0
133.02893	1.1
133.06497	11.3
135.04414	1.2
135.08025	1.9
135.71803	0.8
137.05981	100.0
143.04919	1.7
143.06023	1.2
144.05701	1.0
145.06470	2.6
147.04417	33.5
147.08000	1.9
149.05994	9.0
150.06766	2.4
151.07547	44.6
157.06477	1.2
159.08037	3.5
161.00661	1.1
161.05994	33.8
162.06772	15.1
163.07556	4.0
165.05446	3.5
167.07007	1.1
172.05191	2.1
173.06099	1.0
175.07542	24.3
177.09120	1.6
178.00728	0.9
179.07040	44.0
187.07538	13.5
189.08928	1.5
190.06148	1.1
191.08548	2.5
193.03169	9.9
193.06985	1.4
193.08601	8.7
198.08818	0.9
203.08580	1.7
205.06828	0.8
205.08592	21.3
206.04497	1.4
217.08508	1.8
219.08017	5.3
231.08072	2.4
235.07585	1.2
235.09576	5.9
243.08850	1.1
244.09505	4.6
245.09804	3.8
247.07578	2.4
251.10689	3.6
259.07581	2.1
263.10684	1.9
265.08765	1.4
279.10211	4.7
282.07904	1.6
291.10159	4.8
296.10416	1.7
309.11206	17.2
311.12820	7.4
318.15189	1.6
323.12878	3.4
329.13797	6.6
341.13852	10.9
359.14868	1.6
380.16623	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	479.3008
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
51.99872	2.6
55.01860	4.3
55.05510	4.6
55.28105	2.5
55.45763	2.4
60.25368	2.4
67.05507	5.1
69.06738	4.0
69.07075	49.5
70.96254	3.3
79.05494	12.3
81.07063	80.4
81.86336	2.2
83.04994	4.5
91.05489	6.4
92.98865	2.6
93.07037	7.7
95.04979	16.7
95.08609	6.3
97.06551	14.0
99.04455	2.7
99.08098	36.4
105.07059	12.5
107.08595	16.3
109.06537	5.1
109.10155	11.1
115.05472	2.9
119.08577	7.2
121.06540	5.4
121.10137	8.3
123.08060	6.3
123.11692	3.4
125.09652	20.7
127.11176	9.3
129.07028	3.1
131.04941	3.4
131.08583	10.2
133.10114	8.5
135.04388	6.5
143.08597	13.3
143.10699	11.4
145.10150	10.6
147.08032	5.1
147.11650	3.9
155.08540	6.6
157.10130	7.6
159.08089	4.7
159.11745	7.3
161.09573	7.0
165.12740	7.2
167.08548	3.3
169.10165	7.6
171.08067	17.5
171.11783	5.9
173.09630	6.9
173.13161	3.8
179.08498	3.4
180.09323	3.0
181.10101	4.3
183.11722	7.9
185.09639	8.6
187.11122	3.2
188.84016	2.7
189.09122	15.3
193.10023	2.9
195.11691	5.6
197.09639	6.9
197.13243	7.6
199.11208	38.5
201.12924	5.9
205.10295	3.4
207.10130	3.4
207.11823	3.7
209.09482	2.9
211.14844	4.5
213.12743	6.1
215.10382	2.7
217.10240	3.0
221.13222	5.2
223.11191	8.9
225.12807	6.9
227.14285	5.8
229.12212	3.7
229.15924	3.4
233.13268	2.5
235.14835	7.0
237.12701	3.6
239.14259	13.0
241.12291	3.7
241.15947	3.5
251.14316	4.6
253.15948	9.1
263.14398	7.7
267.17319	3.1
279.13849	2.9
281.15344	21.6
293.18979	5.9
299.16391	12.0
307.20590	4.6
309.18546	10.1
311.20090	7.2
317.17487	32.4
319.19101	2.9
325.21646	7.3
327.19510	11.1
333.18448	2.7
343.22562	7.4
345.20673	7.1
347.43634	2.7
351.19278	6.1
363.21768	2.6
369.20572	7.5
389.24887	4.6
401.27454	2.7
407.25848	18.2
425.26871	40.9
443.27985	100.0
461.28964	82.7
461.46991	2.9
462.28720	3.4
479.30042	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	479.3372
Annotation	Dolicholide
Peak:m/z	Relative Intensity
53.03941	2.1
53.70321	0.9
55.01873	1.1
55.05513	9.3
57.03441	5.4
57.07061	1.2
65.03934	1.5
67.05508	29.2
69.07076	12.1
71.05000	1.5
79.05495	26.3
81.07059	100.0
81.13081	0.9
83.04993	1.5
83.08605	6.6
85.06516	1.0
91.05486	10.6
93.07050	19.8
95.04950	2.0
95.08613	26.6
97.06531	3.8
97.10156	3.2
98.20770	4.1
99.08118	5.1
105.07038	11.5
107.08599	12.9
109.06509	1.8
109.10159	13.7
111.08073	1.9
117.07025	3.7
119.08591	10.7
121.10136	10.3
123.11726	4.7
125.06020	1.2
125.09639	1.9
127.07552	6.5
129.06970	2.2
129.86931	1.0
131.08595	8.7
133.10135	7.6
133.62881	0.9
135.11720	8.0
137.13283	1.9
143.07034	5.0
143.08546	2.0
145.08557	4.4
145.10153	7.2
147.11702	6.6
149.09624	1.3
149.13284	4.5
151.14735	0.9
155.08588	1.6
157.10124	2.0
159.11722	6.8
161.13258	5.5
163.11163	1.3
163.14827	2.3
169.10237	1.7
171.11684	2.9
173.13271	6.7
175.14867	1.7
177.12758	1.7
177.16481	1.1
183.11676	1.3
185.13228	2.2
187.14841	3.0
191.14314	1.0
199.09641	5.1
199.14851	1.3
201.11227	31.9
201.16420	1.0
203.12724	1.2
205.06122	1.0
215.17924	0.9
219.17374	1.0
229.60422	1.3
241.19540	1.2
243.21109	4.2
259.20483	1.2
261.22141	16.4
263.23483	1.1
271.20654	1.4
289.21454	1.9
317.24802	2.1
333.24478	1.1
335.22018	1.8
335.25803	21.1
351.26260	2.6
363.25171	1.6
369.27972	6.9
385.76935	1.1
387.28897	2.8
405.30234	1.5
443.31369	3.2
452.50043	0.9
461.32648	34.2
462.32916	1.1
479.33664	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	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01863	0.3
57.03430	0.5
59.04978	0.1
60.56757	0.1
61.02932	5.1
67.05505	0.2
68.99818	0.2
69.03439	1.3
71.59431	0.1
73.02921	1.4
73.94900	0.1
81.03418	0.8
85.02909	5.2
91.03969	2.4
93.03421	0.2
95.04961	0.5
97.02315	0.1
97.02901	2.6
99.04458	0.3
107.05056	0.2
109.02878	0.4
121.02862	0.9
123.04440	1.3
124.01540	0.4
125.02345	0.6
127.03933	0.9
135.04404	0.2
137.02362	2.9
137.03381	0.3
141.05505	0.3
145.04945	0.7
149.02333	0.4
151.03911	0.9
163.03914	0.6
167.03412	4.0
179.03407	1.8
180.04225	0.2
187.03986	0.2
187.07463	0.3
193.05176	0.2
193.62851	0.2
197.04420	0.7
200.04712	0.3
201.83488	0.2
209.04428	0.3
215.07097	1.2
219.02905	0.2
228.04175	0.4
233.08173	0.2
242.05890	0.2
243.06552	3.4
244.52046	0.2
256.03677	0.3
257.04611	0.2
261.07559	0.7
271.06042	2.2
273.03967	0.4
274.04730	3.3
288.06265	0.6
299.05432	1.0
302.04248	2.4
316.05624	0.2
317.06570	100.0
318.06824	1.2
329.06586	1.1
359.07635	0.8
383.07776	0.4
443.09506	0.2
450.28250	0.2
479.11929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23038	0.1
52.29010	0.1
53.03932	0.2
55.01866	0.2
55.05470	0.2
57.03427	0.5
58.82061	0.1
60.97683	0.2
61.02932	5.8
65.03948	0.2
65.80171	0.1
69.03441	0.7
69.20529	1.4
73.02922	1.4
73.97103	0.2
81.03406	0.5
85.02908	4.5
91.03416	0.3
91.03960	3.3
93.03429	0.4
95.04990	0.4
97.02895	3.0
99.04456	0.4
109.02917	0.3
111.04486	0.2
115.03863	0.2
121.02885	0.8
123.04440	1.1
124.01598	0.3
125.02361	0.5
125.21480	0.1
127.03940	0.7
137.02357	2.3
141.05498	0.3
145.02806	0.2
145.04993	0.6
149.02350	0.5
151.03922	0.8
155.04936	0.2
163.03896	0.6
167.03410	3.2
169.06505	0.2
179.03403	1.4
180.04234	0.2
183.04411	0.1
184.05243	0.2
187.07608	0.3
193.04906	0.2
197.04468	0.6
199.04201	0.1
200.04712	0.5
201.05711	0.2
215.07051	1.5
225.05502	0.1
227.07030	0.2
228.04184	0.4
233.08083	0.3
243.06528	4.0
243.08994	0.2
256.03867	0.2
257.04480	0.2
261.07565	0.5
271.06039	2.2
273.03976	0.3
274.04739	3.3
288.06342	0.7
289.06979	0.1
299.05563	1.0
302.04202	2.5
317.06570	100.0
318.06900	1.1
329.06540	0.2
359.07468	0.2
479.12015	0.2
479.19055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.10303	0.1
52.40508	0.1
53.03950	0.1
55.01863	0.2
55.05508	0.2
57.03427	0.4
61.02929	5.6
65.03938	0.1
66.75033	0.1
67.05513	0.2
69.03432	1.2
69.18377	1.2
71.04971	0.1
73.02922	1.5
76.27032	0.1
81.03414	0.4
85.02909	4.9
87.04466	0.1
91.03410	0.2
91.03955	2.7
91.05472	0.1
93.03401	0.4
95.04963	0.5
97.02899	2.8
99.04437	0.3
109.02899	0.3
110.03664	0.1
115.03977	0.2
121.02874	0.9
123.04436	1.2
124.01550	0.3
125.02344	0.6
125.05987	0.1
127.03917	0.8
135.04364	0.2
137.02341	2.2
139.03909	0.2
140.04846	0.1
141.05457	0.3
145.04956	0.6
149.02332	0.3
151.03891	0.8
155.04936	0.2
163.03885	0.7
167.03407	3.7
172.05257	0.1
179.03395	1.7
180.04271	0.2
183.04439	0.2
187.07597	0.2
197.04401	0.6
200.04683	0.3
209.04372	0.2
215.07074	1.4
228.04164	0.4
233.08203	0.3
235.38609	0.1
242.05695	0.2
243.06517	3.7
253.04991	0.2
256.03607	0.4
257.04343	0.3
261.07611	0.6
271.05972	2.0
271.08749	0.1
273.03934	0.3
274.04730	3.3
274.07562	0.3
288.06277	0.6
289.06888	0.2
299.05539	0.9
302.04239	2.4
317.06561	100.0
318.06906	1.1
442.61810	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42347	0.3
53.03940	0.6
55.01860	0.9
55.05505	0.7
57.03439	1.3
61.02927	1.8
67.05499	1.5
69.03432	3.9
69.07064	2.5
70.06586	1.3
70.34619	1.1
71.04966	0.8
72.08157	2.0
73.02911	0.5
79.05477	1.1
79.07736	0.3
81.03424	3.2
81.07057	2.4
84.04519	0.5
84.08137	0.5
85.02909	11.2
85.06549	1.3
85.30027	0.4
86.09700	2.5
87.52851	0.5
91.03967	0.9
91.05476	0.9
92.02641	0.5
93.03395	0.6
93.07041	1.5
95.04976	0.8
95.08634	1.8
97.02905	3.5
97.06523	1.3
99.04428	0.5
99.08111	0.6
105.07035	1.1
107.08581	1.3
109.02869	1.5
109.06509	0.4
109.10188	0.7
112.00053	0.4
117.07006	0.5
119.04956	0.9
119.08601	0.8
120.08134	2.4
120.26491	0.4
121.02852	0.9
121.06487	0.5
121.10175	0.7
123.06833	0.4
125.09634	0.9
127.03923	1.6
130.08662	0.4
131.08566	1.3
133.10139	0.9
135.08076	0.5
136.06165	0.6
137.02361	0.4
139.03908	0.5
143.10667	0.7
145.04958	1.9
145.10149	0.8
147.11736	0.4
151.03949	1.0
153.01843	7.1
157.10130	1.0
165.01862	0.6
169.04984	0.3
173.09586	0.6
175.11276	0.5
181.10080	0.4
185.09698	0.4
193.12282	1.8
195.11726	0.4
199.11079	0.4
201.05583	0.4
203.03395	0.4
217.04980	1.0
218.05856	0.5
219.17503	0.7
225.12697	0.8
228.04269	1.0
229.04915	2.9
231.02893	0.5
233.16502	0.5
237.16330	0.7
243.06512	0.7
245.04533	0.9
246.05325	1.5
257.04477	2.5
263.14279	0.5
265.15939	1.8
267.15994	0.7
273.03937	1.4
274.04721	3.8
281.15466	0.8
283.16898	1.7
284.02985	0.4
285.03970	4.1
285.17026	0.7
292.89294	0.4
301.18063	1.6
302.00797	0.8
302.04227	12.4
302.07565	0.7
311.19934	0.6
317.06577	100.0
318.06955	1.1
359.07999	0.5
389.24701	0.5
407.25922	0.9
425.26956	1.7
443.27942	2.4
461.29037	2.1
479.30319	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	478.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05035	1.1
57.07073	0.3
58.06580	1.3
59.07375	0.4
60.08166	15.5
61.12239	0.2
67.05495	0.7
69.07067	0.6
69.26910	1.5
71.07377	6.9
71.08621	0.2
79.05485	0.4
81.03427	0.3
81.07063	1.4
83.08626	0.4
86.09708	55.1
93.07061	0.5
95.08603	0.9
97.10155	0.2
98.98466	6.1
104.10747	100.0
105.11056	0.2
109.10170	0.3
111.21348	0.2
119.08614	0.2
123.31937	0.2
125.00008	32.8
143.01073	0.2
163.01637	0.3
166.02663	0.4
184.07344	73.5
324.11032	0.2
403.49036	0.2
454.22504	0.2
460.35623	2.9
478.36652	37.2
479.36984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81255	2.5
94.93008	16.2
100.33331	2.4
112.89626	2.6
136.94034	71.4
141.85597	2.8
148.94020	16.7
166.95100	31.0
196.96126	10.5
248.89658	9.5
256.98358	21.3
261.81525	2.5
279.00476	2.7
298.99277	2.9
381.07928	100.0
388.92911	3.0
419.03580	71.0
419.09076	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	479.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.5
53.35403	0.8
55.01878	4.5
55.05500	2.7
56.00457	0.8
57.03448	7.8
57.83836	0.8
61.02946	4.3
65.03941	1.2
67.05512	4.8
68.99794	6.7
69.03437	47.9
70.06599	7.6
71.01363	2.4
71.05005	9.0
72.08151	3.7
73.02908	2.4
79.05473	2.4
81.03425	60.1
81.07047	1.1
83.01363	1.5
83.04996	11.9
84.04498	1.6
84.08128	3.0
85.02913	67.8
86.09718	9.2
87.00837	21.7
91.05470	3.2
93.03383	1.1
93.07048	2.4
95.04968	3.5
95.08600	2.4
97.02901	16.2
97.06538	1.3
97.92841	0.9
99.04460	20.0
101.02411	1.8
103.03922	3.9
105.01872	6.3
105.07021	2.0
107.04999	1.3
109.02893	45.8
109.10139	0.9
110.07140	1.3
111.00829	1.0
111.04494	6.9
111.08031	0.8
113.02388	1.9
113.05907	0.8
117.67603	1.0
119.08601	1.2
120.08113	6.6
121.02869	1.2
122.09713	1.3
123.04448	6.7
125.02370	4.1
127.03931	100.0
129.01807	2.3
129.05472	1.3
129.07021	1.0
129.10234	1.7
130.06491	1.2
133.02748	1.3
135.04390	1.2
136.07530	0.9
137.05957	1.5
139.03908	2.6
141.05450	2.3
143.08559	1.4
145.04951	4.8
146.06104	1.8
147.02936	1.8
147.04402	2.0
147.08032	1.0
148.06091	1.0
151.03931	3.1
153.01820	1.0
154.06535	2.0
158.09695	6.2
159.02905	1.9
161.05971	1.3
163.03833	1.1
165.05489	1.5
166.08627	1.4
168.08105	4.6
169.04994	8.6
171.02928	4.5
181.04977	1.0
187.06053	7.0
188.07141	2.0
189.03970	14.2
193.04936	1.6
195.02924	0.9
213.03964	9.0
214.08641	2.4
217.04994	1.7
219.11288	1.2
231.05029	10.3
231.11221	1.0
233.06360	1.0
235.06039	1.7
243.08940	1.3
253.07170	2.1
253.89059	1.0
255.04936	4.3
261.14368	1.1
261.22238	0.9
271.07935	1.0
273.06085	15.0
286.12869	2.7
317.06622	1.4
321.06003	1.5
339.07114	2.6
443.08365	4.2
461.09430	15.3
461.22739	2.7
479.08902	1.8
479.18936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	6-Methoxykaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03937	0.4
55.01860	0.5
55.05489	0.3
57.03443	1.2
61.02927	4.7
65.03917	0.3
67.05495	0.6
69.03439	1.4
69.07069	0.3
70.06591	0.2
70.23257	0.4
70.23645	0.4
71.04973	0.2
72.08131	0.2
72.34317	0.2
73.02905	0.9
79.05468	0.6
81.03418	6.6
81.07053	0.8
83.04987	0.3
83.08610	1.3
85.02908	5.0
86.09705	1.0
91.03957	2.5
91.05475	1.0
93.03377	0.4
93.07027	0.5
95.04974	2.2
95.08606	0.2
97.02890	2.9
97.10171	0.2
99.04443	0.3
101.02386	0.2
102.69425	0.2
105.07010	0.7
107.04937	0.6
107.08530	0.4
109.02847	0.6
111.04488	0.2
111.08070	0.6
113.08727	0.2
115.03923	0.3
119.08586	0.8
120.08058	0.3
121.02885	1.0
121.06482	0.3
121.10108	0.3
123.04434	1.5
124.01574	0.5
125.02338	0.8
127.03912	0.7
129.06958	0.5
131.08546	0.6
133.10132	0.2
135.65027	0.2
137.02330	3.6
137.03326	0.4
141.05510	0.2
145.04927	0.7
147.11671	0.5
149.02353	0.6
149.09628	0.5
151.03897	1.0
157.10115	0.8
163.03876	0.6
167.03416	3.5
167.04761	0.4
175.11157	0.9
179.03432	1.9
180.04243	0.3
187.07613	0.4
188.16197	0.2
193.12247	5.3
197.04387	0.5
200.04688	0.3
209.04465	0.4
210.36211	0.2
211.13284	0.4
215.07040	1.8
228.04213	0.5
235.13374	0.2
243.06551	3.9
256.03775	0.3
257.04547	0.2
261.07596	0.7
267.15912	3.8
271.06046	1.8
273.03851	0.3
274.04703	3.9
285.17004	3.3
285.19916	0.4
288.06302	0.6
299.05493	1.4
302.04205	4.5
309.17023	0.6
311.72192	0.2
315.04977	0.3
316.05737	0.4
317.06558	100.0
318.06870	0.9
327.04807	0.3
329.06561	2.4
343.08478	0.3
359.07620	2.3
383.07608	0.4
425.08322	0.4
443.09784	0.4
479.11847	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	478.2934
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	0.6
55.01881	0.4
55.05513	11.3
57.03444	6.7
57.06882	0.2
57.07077	1.8
62.06100	0.3
65.03939	0.8
67.05509	22.3
69.03410	0.3
69.07072	14.0
69.70586	0.5
69.71002	0.7
71.04992	0.9
71.08624	0.8
79.05503	7.0
81.07061	23.0
83.04988	1.0
83.08623	6.0
85.06551	0.7
85.10195	0.3
88.30250	0.2
91.05491	3.9
93.07053	6.5
95.04960	0.4
95.08611	17.6
97.06525	1.6
97.10178	3.7
98.06046	0.3
98.98438	0.3
99.08098	0.6
101.06030	0.2
105.07047	2.4
107.08594	3.3
109.06516	0.4
109.10165	6.6
111.08076	0.5
111.11683	0.5
119.08582	2.6
121.10146	2.1
123.08102	0.3
123.11729	2.5
124.01617	0.4
133.10141	2.6
135.11665	1.6
137.13257	0.8
147.11679	1.3
149.13257	0.9
151.14836	0.4
153.12790	0.2
161.13287	0.9
163.14819	0.8
175.14867	0.6
177.16393	0.2
179.14365	0.3
189.16371	0.3
198.05254	0.3
209.14618	0.2
216.06337	0.5
245.22697	0.4
263.23700	1.1
306.27988	2.3
337.27383	100.0
338.27771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.01872	1.0
55.05516	10.2
57.03439	4.1
57.07074	1.5
62.06096	30.1
65.03941	1.0
67.05512	27.9
67.87676	0.6
69.07074	13.6
69.73512	1.1
69.73927	3.3
70.17665	0.7
71.04979	1.4
73.02971	0.6
74.41613	0.6
79.05505	7.0
80.43195	0.6
81.07066	25.8
83.04971	0.9
83.08636	4.9
85.06541	1.0
91.05494	5.1
93.07056	7.0
95.08618	20.6
96.18270	0.7
97.06531	2.0
97.10168	3.1
98.06044	2.9
98.20723	0.7
98.98482	9.5
101.34830	0.7
105.07039	3.1
107.08605	5.7
109.10178	6.6
119.08563	3.3
119.19241	0.8
121.10172	3.7
123.11722	3.7
124.01619	2.2
125.09680	0.7
133.10164	3.4
135.11690	2.1
137.09689	0.7
137.13260	1.1
142.02658	1.9
147.11661	1.6
149.13275	2.0
150.38020	0.6
155.01076	4.7
161.13283	1.4
163.14935	0.8
165.16499	0.8
173.02124	1.7
175.14865	1.1
177.16449	1.1
178.77769	0.6
181.84431	0.6
198.05275	2.1
216.06367	3.8
245.22699	1.3
263.23703	6.9
306.27939	29.6
337.27396	100.0
338.27936	1.5
374.70853	0.7
417.24173	1.9
460.28134	6.4
478.29379	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	13.6
55.05515	60.3
57.03441	13.8
59.04984	2.6
65.03922	2.7
65.53640	1.5
67.05507	54.0
69.03436	10.0
69.07071	11.7
69.72266	6.6
71.04987	4.3
77.03889	1.4
79.05495	59.9
81.03419	50.3
81.07061	50.9
83.04976	10.1
83.08618	32.8
85.02905	4.0
85.06537	4.7
91.05486	48.0
93.07047	33.8
95.04970	26.4
95.08057	2.3
95.08607	22.2
97.02863	1.8
97.06551	10.1
97.09555	2.9
97.10173	48.8
98.21518	2.2
101.09652	1.5
103.05459	1.9
105.04496	1.8
105.07037	33.6
107.04961	31.4
107.07882	2.0
107.08599	30.7
109.02880	1.5
109.06551	9.9
109.10159	13.1
111.04427	1.9
111.08111	7.9
113.05990	1.9
115.05462	4.7
117.07023	13.7
119.04960	3.7
119.07796	2.5
119.08585	25.5
121.06516	28.3
121.10167	11.0
123.04391	2.7
123.08071	9.0
123.11702	5.4
125.05982	2.7
125.09632	38.1
128.06189	2.6
129.07019	19.6
130.07724	1.9
131.04935	5.9
131.08580	21.8
133.06480	10.0
133.10146	13.2
135.08055	12.6
135.11693	5.2
137.05939	1.6
137.09637	3.4
139.07550	2.1
141.06978	5.7
142.07782	2.9
143.08580	13.2
145.06491	22.4
145.10129	12.4
147.04399	3.5
147.08035	13.2
147.11705	12.9
149.05974	1.5
149.09584	5.5
150.55789	1.5
151.07504	2.4
153.09087	10.2
153.12744	3.7
155.08549	6.2
157.06529	3.2
157.10150	11.1
159.08043	5.8
159.11671	4.0
161.06004	4.9
161.09647	4.2
163.11180	6.0
165.12773	1.7
167.08571	3.0
169.10143	4.6
171.08026	7.7
171.10199	3.9
171.11703	9.8
171.74149	1.7
173.09648	5.1
175.11177	7.9
177.12737	2.0
179.08531	1.8
181.10149	4.1
183.11795	2.1
185.09619	2.8
185.13335	3.2
187.11244	4.2
187.14879	1.7
189.11237	23.3
189.12813	4.7
193.12236	27.6
195.11726	3.8
197.13280	2.6
199.11153	7.7
203.14288	2.7
205.12189	3.8
209.13148	1.6
211.11299	3.3
211.13315	8.4
213.12805	4.0
215.14314	5.7
217.12300	4.1
223.11220	2.4
223.13275	4.1
225.12726	3.0
226.55402	1.5
227.12637	15.6
231.13762	4.0
233.15335	13.7
235.13281	3.3
237.12695	3.7
239.14253	1.9
241.12180	2.2
241.14371	6.2
245.15424	2.4
249.14877	2.9
253.16101	1.5
255.13834	4.4
259.13248	2.4
263.16296	1.6
267.15915	28.0
271.16907	2.0
273.14862	16.9
275.16550	2.7
287.16373	1.8
291.15942	4.0
311.12854	2.3
321.21982	1.8
323.20099	2.0
339.22986	8.0
341.20956	2.7
349.21692	19.0
357.24161	8.4
367.22699	53.1
368.23297	2.5
385.23749	100.0
386.24109	1.7
403.24835	26.4
405.24368	2.4
415.24811	2.3
421.25766	2.3
423.25330	2.6
433.25964	7.4
441.26379	9.0
459.27435	95.0
477.28476	66.3
501.46530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05284	0.4
55.05518	5.6
57.07065	0.8
62.06073	1.5
63.18593	0.4
67.05505	7.0
67.05847	0.8
69.07065	5.2
71.52818	0.6
79.05476	2.6
81.03384	0.4
81.07053	7.6
83.08619	2.0
85.05286	1.3
86.06067	1.0
91.05486	1.0
93.07038	2.4
95.08597	4.4
97.10156	0.7
98.06059	9.9
98.98472	0.6
105.07027	0.9
107.08585	1.0
109.10156	1.6
110.09646	0.4
111.63061	0.4
112.07587	0.9
119.08560	0.9
121.10143	0.7
123.11742	0.4
124.11262	0.4
133.10097	0.5
135.11661	0.5
140.10701	0.7
145.10168	0.5
149.02332	1.1
149.13210	0.4
153.34004	0.4
193.04993	1.0
196.16931	0.6
208.17001	0.6
222.18521	0.4
236.20250	0.5
256.26355	0.8
306.27914	100.0
307.28183	1.3
324.28854	0.6
337.27368	1.7
478.29276	0.8
478.35577	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
52.55428	1.1
55.01886	6.1
55.05508	5.4
55.56907	1.1
57.03442	7.5
57.07080	9.7
63.34279	1.2
65.03944	1.4
66.69130	1.2
67.05180	2.1
67.05511	31.6
69.03426	3.8
69.07076	13.9
69.33855	11.0
70.06586	11.3
71.04996	7.8
72.08160	3.0
79.05495	7.8
81.07061	10.1
83.04996	3.2
83.08632	1.4
84.08138	3.0
85.02908	2.2
85.06548	70.6
86.09715	4.6
91.05486	6.9
93.07045	8.6
95.04983	22.5
95.08611	14.3
97.06551	8.7
97.10174	2.0
99.04445	4.3
105.07033	11.9
107.04939	6.4
107.08606	9.0
109.06517	5.3
109.10143	3.8
113.06012	32.7
113.09649	2.9
115.05512	1.6
115.07578	3.8
117.07021	4.5
119.08611	8.5
121.06514	5.4
121.10126	6.3
123.08067	6.0
123.11741	2.3
125.09625	3.6
128.06253	4.3
129.07027	4.5
131.04933	5.5
131.06989	2.4
131.08583	11.8
133.06487	1.8
133.10103	7.4
135.04453	11.1
135.08089	4.6
135.11696	2.8
137.02341	3.8
137.05980	4.6
137.09592	1.6
141.07018	3.4
141.09099	2.9
143.08585	15.5
143.10681	3.9
145.06506	4.6
145.10110	7.9
146.06107	1.3
147.08067	11.5
147.11693	3.7
149.09567	3.6
151.07556	1.9
151.11198	1.3
153.06920	1.6
154.07704	1.4
155.08543	5.7
156.09334	1.3
157.06531	2.9
157.10147	7.2
159.08057	10.7
159.11679	9.6
161.09645	10.2
161.13223	2.1
163.11186	2.5
165.07010	2.6
167.08577	3.3
168.09146	1.6
169.10133	6.6
171.08067	25.8
171.11705	4.4
172.72702	1.4
173.09668	9.8
173.13280	6.8
175.07491	2.2
175.11234	4.2
179.08591	3.8
181.10103	5.9
183.08122	3.7
183.11690	8.0
184.08812	2.6
185.09619	8.5
185.13277	2.5
187.07559	9.8
187.11217	2.6
189.09117	37.4
189.12770	2.2
191.10722	2.9
193.10144	4.8
193.12064	1.9
195.08023	1.4
195.11742	5.3
196.08875	1.6
197.09616	10.6
197.13222	6.6
198.10376	2.1
199.07471	1.7
199.11206	32.9
199.14832	3.8
200.11967	3.9
201.09123	2.9
201.12820	3.8
203.10669	1.8
205.10158	3.2
207.10199	13.2
207.11844	3.5
209.09631	4.1
209.13290	3.3
211.11226	5.1
211.14931	3.0
213.09126	1.9
213.12813	5.6
215.10689	3.4
215.14381	2.1
217.12100	1.7
220.12517	2.4
221.09659	1.6
221.13298	3.7
223.11223	8.4
223.14813	2.5
224.11943	2.6
225.12671	6.3
225.16382	1.8
227.10728	1.9
227.14386	8.8
229.12285	5.4
229.15823	8.3
230.10941	1.8
231.13838	2.4
233.09602	1.5
235.11348	2.0
235.14839	5.5
235.16937	1.9
237.12772	4.7
237.16628	1.4
238.13559	1.4
239.14343	13.6
240.14966	2.7
241.12183	3.2
241.15874	2.5
245.13249	2.3
248.12167	1.9
249.12755	2.2
249.16487	2.4
251.14375	5.7
253.12173	2.8
253.15906	9.3
255.13695	1.5
257.15445	1.6
263.14325	13.4
265.16098	3.0
267.13837	1.6
267.17560	3.5
269.15323	2.1
269.18985	3.6
271.16953	2.6
277.16010	2.1
279.13861	2.0
281.15387	39.5
281.18613	1.9
282.16180	6.0
283.16946	2.9
291.17459	2.4
293.18976	7.3
294.57602	1.6
295.17041	1.7
299.16458	11.1
305.19107	3.0
307.17133	1.6
309.15170	2.2
309.18530	12.0
311.20004	17.3
316.05878	3.8
317.17365	10.1
323.20120	5.5
327.19504	11.2
329.21301	1.6
341.21133	15.1
345.16934	3.4
345.20834	5.9
347.19940	1.7
350.03394	1.3
353.20953	1.9
359.22168	13.5
363.22168	4.0
365.21158	5.5
369.20728	3.1
377.24457	1.6
381.24286	5.8
383.22272	10.6
387.23035	3.8
395.26334	1.6
399.25388	5.2
401.23196	6.6
405.24139	15.9
423.25333	66.1
441.26395	58.3
459.27444	77.7
460.27628	2.7
477.08466	13.0
477.28510	100.0
478.08295	1.7
478.28821	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
51.49051	1.6
51.89163	1.7
53.03942	5.4
55.01877	9.6
55.05513	50.0
57.03431	9.4
57.07076	1.8
58.32287	2.1
62.72662	1.8
65.03957	3.2
67.05508	48.7
69.03423	5.7
69.07080	9.5
70.77039	3.7
71.04983	2.5
79.05494	55.0
81.03420	30.5
81.07058	39.3
83.04986	8.7
83.08627	25.9
85.06538	2.2
89.41994	2.2
91.05495	32.1
93.07042	28.7
95.04980	25.8
95.08617	18.8
97.06527	6.8
97.10169	41.8
103.05502	2.8
105.07032	21.7
107.04967	27.8
107.08588	24.5
109.06536	4.9
109.10163	9.0
111.08069	7.8
113.06039	2.0
115.05468	2.6
117.07030	14.5
119.04982	2.5
119.08607	15.6
121.06514	26.6
121.10175	6.4
123.08102	9.3
125.09634	33.6
128.06232	1.9
129.07001	14.2
131.04945	5.7
131.08583	18.8
133.06502	10.4
133.10112	7.0
134.86874	1.8
135.04283	1.8
135.08051	10.4
135.11681	4.1
137.09598	2.3
141.07002	6.4
142.07800	2.5
143.08553	7.6
143.10626	2.9
145.06482	16.2
145.10048	11.1
147.04366	3.1
147.08031	10.7
147.11725	7.9
149.09610	8.2
149.67691	1.9
153.09094	6.7
155.08568	9.6
157.06470	4.2
157.10175	9.4
159.08064	4.1
159.11702	3.6
161.05986	4.0
161.09596	5.1
163.11119	3.4
165.09203	2.4
167.08638	2.3
169.10123	6.3
171.08047	4.2
171.10216	4.6
171.11713	5.1
173.05896	1.9
173.09654	5.4
173.13272	2.9
175.11220	9.5
177.12788	2.9
181.10156	2.4
183.08041	3.1
183.11781	4.0
185.09604	5.3
185.13303	3.7
187.11208	4.8
187.14859	2.9
189.11232	16.2
189.12807	5.0
193.12230	18.9
195.11694	3.6
197.13339	5.3
199.11169	4.0
201.12538	2.3
203.14420	2.5
205.12177	3.1
211.11162	2.3
213.12813	3.7
215.14333	5.4
225.12704	2.4
227.12630	10.8
229.12315	2.5
231.13686	2.1
233.15384	16.3
235.13368	2.9
237.12769	2.8
241.14339	4.6
243.13649	2.7
245.15463	4.0
249.14804	2.8
255.13689	3.4
259.13400	3.5
267.15936	29.5
273.14847	12.7
273.17517	2.0
291.15878	5.0
305.81015	2.4
321.22144	3.3
323.20087	4.3
327.38116	2.0
339.23178	10.6
341.21188	2.9
349.21674	15.9
357.24280	13.8
367.22665	56.2
375.25452	3.7
376.32205	2.2
385.23721	90.0
403.24811	28.4
409.33240	2.0
415.24704	4.9
433.25638	13.0
441.26328	8.9
459.27408	100.0
477.28503	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62885	1.7
55.01868	3.9
55.05515	5.7
55.59986	1.7
57.03446	1.8
57.07086	2.7
67.05511	11.7
69.03425	5.2
69.07060	6.0
69.33997	13.3
69.55759	1.4
70.06596	7.7
71.04996	25.6
72.08157	5.2
74.54657	1.6
79.05511	8.5
81.03422	3.1
81.07055	10.7
83.04995	3.4
84.08131	3.8
85.02924	3.4
85.06539	5.0
86.09715	4.9
91.05478	9.9
92.81392	1.5
93.07061	8.6
95.04436	2.9
95.04973	21.1
95.08605	7.0
97.02882	2.8
97.06527	9.3
98.21497	3.1
99.04449	5.8
99.08109	2.3
105.07035	14.6
107.04971	9.3
107.08607	5.8
109.06504	13.9
109.10155	4.7
113.06017	38.0
115.05501	2.4
115.07581	6.7
117.03371	2.2
117.07036	5.0
119.08598	10.3
121.06535	12.7
121.10126	7.7
121.50737	1.6
122.06893	2.8
123.08110	11.2
123.11732	4.1
124.73682	1.5
125.09616	4.1
128.06226	7.5
129.07016	5.3
131.04955	5.2
131.08540	12.4
133.06461	1.6
133.10130	15.3
135.04434	13.6
135.08057	3.7
137.02347	4.6
137.06010	5.6
141.06946	2.5
141.09116	6.4
142.07764	1.8
143.08577	14.9
145.02831	8.8
145.06409	3.8
145.10150	7.1
146.03188	4.3
147.08073	14.0
147.11732	2.7
149.05952	1.8
149.09619	8.0
153.06960	2.4
155.08559	5.9
157.06534	2.9
157.10112	7.5
159.08060	11.6
159.10271	3.4
159.11716	10.4
161.09627	12.3
161.13112	1.8
163.11154	2.9
165.07182	1.8
166.07697	2.4
167.08578	4.4
169.10120	8.0
171.08043	33.6
171.11745	6.7
173.09668	9.7
173.13301	9.8
175.11203	3.1
177.05504	16.8
177.12799	2.0
177.39810	1.8
178.05804	9.3
178.07651	1.7
179.03442	3.3
179.08566	3.5
180.09398	2.6
181.06601	2.2
181.10161	6.5
182.10980	2.9
183.08116	5.1
183.11696	6.5
184.08870	2.3
185.09631	11.3
185.13217	4.1
187.07597	14.4
187.11118	4.4
189.09135	47.2
189.12778	1.9
191.08612	1.8
191.10710	2.5
193.10138	6.1
193.12256	5.4
194.10925	3.0
195.08067	2.6
195.11742	6.7
197.09674	11.9
197.13249	8.0
199.07532	4.5
199.11192	27.5
199.14911	3.1
200.12006	4.0
201.09256	2.6
201.12810	4.8
203.10756	2.7
205.10158	5.0
206.10985	2.8
207.10202	21.2
207.11803	4.5
209.09668	3.9
209.13290	7.3
211.11307	9.2
211.14894	3.6
212.11977	3.0
213.12738	5.2
215.10658	2.8
217.15842	2.3
218.10928	3.9
219.11649	4.4
221.09698	2.6
221.13272	7.2
222.10410	2.5
223.11226	14.0
223.14893	4.2
224.11925	3.8
225.09161	2.2
225.12762	11.1
225.16235	2.5
227.10687	3.6
227.14333	17.0
229.12184	9.0
229.15837	4.9
232.12621	1.8
233.13321	2.3
235.11162	5.2
235.14838	7.7
237.12701	9.0
239.10925	2.0
239.14308	18.5
240.15054	3.6
241.12270	5.5
245.13382	1.9
247.11099	1.9
247.13220	2.4
248.11925	2.2
249.12848	2.9
249.16298	3.6
251.14294	11.6
253.12300	4.6
253.15881	14.2
255.13776	10.1
257.15594	3.6
261.12717	2.7
263.14322	19.1
263.17813	4.6
265.14328	3.5
267.13852	4.4
267.17499	8.2
269.15451	5.7
269.19012	3.2
271.16995	3.8
279.13824	5.6
281.15424	51.5
281.18942	5.8
282.16147	5.9
291.17526	8.4
293.19095	7.3
295.16980	7.9
299.16431	10.6
299.19424	2.0
301.15732	2.3
305.19135	1.7
309.18530	33.5
311.20081	27.1
314.13843	6.7
315.14139	14.9
317.17334	9.7
319.16925	7.2
323.20105	3.5
327.19550	18.8
329.21054	10.3
335.20081	7.0
337.18024	15.5
341.21155	12.0
345.16589	2.5
345.20541	12.7
351.19421	2.4
353.21039	8.5
355.19055	10.9
359.22159	12.0
363.22235	2.3
365.21237	3.2
369.20703	16.0
371.22144	3.0
373.20157	8.6
381.24387	5.5
383.22244	5.3
387.22327	3.3
399.25235	2.6
401.23236	3.7
405.24130	18.3
423.25333	76.8
441.26401	61.1
441.32602	2.1
459.27448	62.1
459.33884	3.0
477.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1949
Annotation	Kanokoside A
Peak:m/z	Relative Intensity
53.92073	0.5
55.05508	0.7
55.33417	0.4
56.96577	0.5
59.02990	0.5
69.03432	0.7
70.06600	3.5
71.51292	0.8
72.08169	2.9
74.06088	1.1
84.04526	1.3
84.08162	2.4
85.02914	1.7
86.09746	2.3
95.06082	0.7
97.02889	1.0
98.97596	0.5
102.05518	0.7
113.07166	0.6
115.03914	0.8
116.07120	1.5
129.10269	1.3
133.04993	1.0
133.06197	0.6
147.04424	1.1
148.04796	0.8
159.09210	0.8
163.03922	0.9
165.05472	0.8
166.05775	0.5
169.09811	0.5
179.39600	0.5
187.07343	0.7
203.05333	0.7
215.13950	0.5
216.09662	0.7
217.08218	0.7
229.15555	1.4
259.08041	1.8
261.14548	0.7
271.11664	0.7
315.14133	1.7
331.09991	2.1
358.31937	0.5
376.91791	0.6
387.16617	0.5
415.15811	1.1
433.12497	0.3
433.16830	14.1
459.18378	9.5
477.19495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.3
53.72388	1.7
55.01876	15.7
55.05516	58.9
57.03455	9.4
65.03934	2.8
67.05510	52.3
69.03442	10.6
69.07069	15.2
69.67204	4.7
69.67599	3.1
71.04995	3.1
79.05499	62.8
81.03434	29.3
81.07059	48.6
83.04996	12.8
83.08163	2.3
83.08629	32.6
85.02914	3.4
85.06551	3.6
91.05488	38.6
93.07053	28.9
95.04978	23.9
95.08616	22.5
97.02885	2.2
97.06537	7.6
97.10181	50.8
103.05507	2.2
105.07046	30.1
107.04958	32.1
107.08607	31.4
109.02840	2.2
109.06519	9.5
109.10170	16.6
111.04452	2.1
111.08061	6.6
113.09626	2.3
115.05480	2.6
117.07021	13.9
119.04969	3.0
119.08585	20.2
121.06515	29.4
121.10163	8.0
123.04461	3.1
123.08079	10.8
125.05972	2.4
125.09638	38.1
128.06244	2.1
128.67981	1.9
129.07002	16.3
131.04958	5.0
131.08574	16.8
133.06499	12.4
133.10106	11.2
135.04390	3.4
135.08072	14.5
135.11699	6.1
137.09576	2.7
141.07047	3.8
143.08583	8.9
145.06487	23.8
145.10114	13.1
147.04396	4.1
147.08069	13.2
147.11705	8.4
149.09660	5.8
151.11151	2.3
153.09117	8.5
153.12715	2.0
155.08580	6.9
157.06644	3.7
157.10165	10.2
159.08101	7.0
159.11705	3.7
161.06044	4.2
161.09637	4.1
163.11263	3.5
165.09151	2.2
165.12785	2.0
167.08519	4.0
169.06619	2.0
169.10167	5.7
171.08081	6.4
171.10324	4.3
171.11700	6.5
173.09653	4.2
175.11200	7.2
181.10162	4.7
181.12224	2.1
183.08034	2.4
183.11714	3.1
185.13297	3.4
187.11256	3.2
187.14900	4.1
189.09583	2.7
189.11253	17.6
189.12802	5.9
193.12265	15.1
195.08009	3.0
195.11707	3.2
197.09673	3.8
197.13327	4.7
199.11188	6.4
205.12241	2.9
207.31143	2.0
209.13330	2.9
211.13199	2.6
211.14984	2.4
211.16913	2.5
213.12762	2.9
215.14354	7.3
217.12225	4.1
223.11243	4.4
223.13185	4.4
225.12703	2.9
227.12526	9.6
227.14679	2.7
229.17986	4.1
233.15324	15.3
237.12727	4.1
241.14346	5.5
243.13803	3.2
245.15501	4.1
249.14896	4.7
252.63876	1.8
255.13843	4.4
259.13306	3.0
267.15912	18.7
271.17114	3.9
273.14877	17.6
287.16367	2.3
291.16061	4.0
321.22122	2.6
331.20636	2.0
339.23294	6.2
349.21707	18.5
357.24216	8.4
367.22711	58.4
385.23758	100.0
386.24185	2.1
403.24854	30.3
433.26035	8.5
441.26367	7.4
459.27432	88.3
460.27811	2.4
477.28494	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01865	3.1
55.05514	6.6
57.03433	1.1
57.07078	1.0
58.99585	1.0
60.04531	0.8
65.03930	1.3
66.91524	0.9
67.05508	13.7
69.03422	2.1
69.07064	4.3
70.04099	1.5
70.06600	2.2
71.04987	2.2
72.04539	1.2
72.08131	0.9
74.00668	1.0
79.05496	11.7
80.05017	6.1
81.03410	3.7
81.07062	31.5
82.06131	1.4
82.06588	26.7
82.07327	1.1
83.04971	1.7
83.08620	3.5
83.68496	0.8
84.08146	0.9
85.02896	1.8
85.06538	0.9
86.09698	2.5
88.04017	0.8
88.28207	0.7
91.05487	11.6
92.85988	0.8
93.07044	10.5
94.06575	33.1
95.04978	6.6
95.07355	1.7
95.08619	9.4
96.08128	2.5
97.02902	1.5
97.06525	2.9
97.10158	2.8
101.02372	2.0
104.54176	0.8
105.07028	5.4
107.04972	5.9
107.08605	7.7
108.08118	18.2
109.06511	3.4
109.09447	1.4
109.10158	10.7
111.04493	0.8
111.08105	1.0
116.10688	0.9
117.07012	1.9
119.04939	2.7
119.08570	7.6
121.06526	2.7
121.10160	7.8
123.08040	1.2
123.11703	3.7
124.07597	16.0
124.41984	0.9
125.05974	2.1
125.09629	2.1
126.09151	2.5
127.03912	1.0
129.07045	1.4
131.08578	3.2
132.01089	1.0
133.10139	5.7
135.08067	1.4
135.11703	4.8
136.07584	12.4
137.06032	4.0
137.09583	1.9
139.11154	0.9
142.08649	46.6
143.08556	1.4
144.10187	1.0
145.10136	2.7
147.04358	1.3
147.11691	3.8
149.13251	1.8
151.11162	1.5
153.07225	0.9
153.09161	0.9
154.08641	100.0
155.07040	1.0
156.10245	0.9
157.10120	2.2
159.11729	1.4
160.50464	0.7
161.09660	2.3
161.13264	1.3
165.09137	5.7
166.09554	1.9
172.09688	11.1
173.13287	1.2
175.11169	1.1
175.14807	1.2
185.13292	1.2
205.19492	1.2
214.18018	2.8
215.18159	1.0
223.20650	0.9
248.01604	0.8
268.22775	1.5
301.21698	3.2
367.22754	1.9
368.18900	3.2
374.26685	2.6
384.22223	1.1
385.23761	2.7
386.26865	1.4
392.27997	8.8
394.24158	2.8
403.24600	1.0
404.27963	10.6
410.28851	2.7
422.24457	2.8
422.29034	62.4
440.24628	5.8
440.30081	28.4
458.25677	3.2
458.31317	3.1
459.27240	2.3
476.26920	7.2
476.32904	3.3
477.28769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01866	1.9
55.05517	3.8
56.05016	1.0
57.07063	1.2
60.04541	0.9
65.03937	1.6
67.04243	1.5
67.05504	10.0
68.05033	0.8
69.03426	1.3
69.07072	3.1
69.40707	1.7
69.41130	2.9
70.06587	1.4
71.04991	1.3
73.02918	1.3
79.05495	9.6
80.05027	5.6
81.03402	1.2
81.05792	0.8
81.07057	26.0
82.06582	29.5
83.04947	1.4
83.08628	1.9
85.02915	2.0
85.06538	1.1
86.06052	2.0
86.09718	0.6
91.05492	6.7
93.05785	1.0
93.07048	7.0
94.06570	35.9
95.04965	4.8
95.08615	7.8
96.04514	1.0
96.08113	2.1
97.02917	1.0
97.06542	2.0
99.04411	0.6
99.08094	0.9
101.02390	1.4
101.04263	1.0
105.07025	2.6
106.06551	1.0
107.04974	4.5
107.08620	3.6
108.08115	20.1
109.02860	0.7
109.06512	2.7
109.10155	8.0
119.04939	2.2
119.08566	2.3
121.06519	1.0
121.10136	4.1
123.11732	3.6
124.07597	16.1
125.06034	0.9
126.09158	1.8
131.08553	1.3
133.10147	2.1
134.02650	0.9
135.08084	0.9
135.11700	3.7
136.07574	14.4
137.05981	5.1
137.09587	1.2
142.08635	44.0
145.10100	1.3
147.11707	1.7
149.09554	0.8
149.13220	2.0
154.08633	100.0
155.07001	1.7
159.11714	0.7
165.09116	2.7
170.11700	0.8
172.09688	10.7
175.14789	0.9
185.13240	0.7
198.11270	5.4
205.19569	1.5
211.05777	0.6
216.12260	3.3
219.13588	0.6
223.20564	2.4
231.29330	0.6
250.21506	0.9
268.22729	4.6
286.23798	2.0
360.16531	1.8
368.26019	0.8
374.27090	1.1
378.18011	1.0
386.26926	0.8
392.27859	5.1
404.24161	0.6
404.28171	5.9
410.28976	3.8
422.24194	2.0
422.29010	43.7
440.25107	2.3
440.30081	41.1
440.36316	1.3
458.24936	1.8
458.31201	2.9
459.27423	0.7
476.26382	1.9
477.28497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01873	1.9
55.05511	2.8
56.05021	2.2
56.87168	0.7
57.03435	0.9
61.02924	1.3
62.06078	3.2
66.83217	0.7
67.05505	2.7
69.03448	5.8
69.07051	2.2
70.06588	1.4
71.05006	1.5
71.08633	8.5
72.04536	1.1
72.08154	1.7
73.02905	2.2
74.02450	0.9
79.05489	5.3
81.03417	1.6
81.07069	8.7
83.08621	1.3
85.02918	5.4
86.06071	24.4
86.09729	4.4
88.03996	1.1
91.05470	5.7
93.07042	7.3
94.06563	0.8
95.08603	2.8
96.08132	1.3
97.02892	3.2
97.06539	1.9
98.09682	3.6
99.04456	1.6
99.08107	6.4
100.11225	1.3
101.02378	3.5
105.07044	10.6
107.04939	0.9
107.08611	7.6
108.08099	2.5
109.02837	1.0
109.06515	9.9
109.10163	1.0
111.08085	7.9
112.02169	1.0
114.09148	0.9
116.10749	11.8
117.07006	1.2
119.04915	1.0
119.08592	4.5
120.08146	1.4
121.06509	4.9
121.10136	4.2
124.07580	1.0
124.11246	1.1
127.03905	2.3
131.08588	2.5
133.10141	1.7
134.09653	3.0
135.08041	4.2
135.11705	2.0
137.05971	5.4
138.43147	0.9
140.01730	1.1
142.08669	1.4
142.12241	2.6
143.10699	7.9
145.04962	2.2
145.10126	10.1
147.04449	0.9
147.11676	2.1
149.09605	1.7
152.06754	0.9
152.10686	3.5
154.08592	0.9
159.11789	1.2
160.13344	1.2
163.11192	11.4
170.11775	6.6
172.07956	1.3
173.09518	0.9
175.07582	1.2
175.14856	2.5
180.10213	3.2
186.02187	2.6
191.10683	16.3
193.15892	1.1
198.11267	100.0
209.11786	3.1
216.12325	68.0
227.12794	0.8
238.67317	0.7
261.13406	1.2
279.35370	0.8
296.18494	2.6
299.10837	1.3
301.21619	1.0
307.11691	3.0
314.19641	57.4
317.11676	3.4
319.22424	0.8
325.12820	2.4
334.76129	0.8
360.16629	10.1
378.17487	5.1
385.23535	0.8
403.88760	1.0
440.24573	1.3
457.55167	0.8
458.25775	6.0
476.19400	0.9
476.25156	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01876	0.5
55.05515	7.1
57.03444	6.6
57.07076	0.5
58.27583	0.3
62.06083	0.8
65.03929	1.1
67.05509	27.3
69.03436	0.4
69.06739	0.5
69.07072	6.5
69.16096	1.6
69.16525	1.6
71.04992	0.7
71.08645	0.4
79.05498	14.3
81.03426	0.5
81.07063	24.0
83.04975	0.8
83.08629	2.6
85.06539	0.5
91.05483	7.3
93.07049	15.2
95.04961	1.2
95.08611	18.4
97.06532	1.3
97.10188	0.7
98.06081	0.6
98.21486	0.6
98.98486	0.3
105.04510	0.5
105.07043	3.6
107.08598	6.5
109.06499	0.7
109.10159	7.2
111.08092	0.5
116.89413	0.3
117.07025	1.4
119.08599	3.5
121.10147	5.6
123.08077	0.4
123.11707	1.5
124.01549	0.4
131.08585	1.7
133.10143	2.3
135.11670	2.2
145.10162	1.0
147.11716	1.4
149.13269	1.6
159.11708	0.8
160.40274	0.3
161.13318	0.8
173.13275	0.6
187.14803	0.4
201.35092	0.3
210.32004	0.3
216.06310	0.7
261.22305	0.4
279.78772	0.3
304.26364	2.6
329.43484	0.3
335.25812	100.0
336.26154	1.2
376.97382	0.4
476.27032	0.4
501.82056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	1.5
55.05293	1.2
55.05517	9.0
57.03429	4.7
60.63369	0.8
62.06092	37.3
65.03949	0.8
67.05506	30.6
69.03445	0.9
69.07078	9.2
69.86050	5.3
76.33842	1.0
79.05498	18.5
81.07058	23.8
83.08632	3.0
91.05479	11.4
93.07052	18.1
95.04971	1.5
95.08607	20.5
97.06555	1.5
97.10188	1.3
98.06042	2.6
98.20830	1.5
98.98469	9.4
99.08060	1.1
105.07022	6.6
107.08604	10.4
109.10171	7.3
112.07586	1.1
115.66714	0.9
117.07026	2.1
119.08594	5.8
121.10155	6.4
123.11730	2.0
124.01555	2.1
131.08568	3.0
133.10130	5.3
135.11699	4.0
142.02626	1.6
145.10112	3.1
147.11664	3.6
149.13277	2.4
155.01059	2.9
157.10284	0.9
159.11714	2.6
161.13232	2.5
163.14842	1.4
173.13287	1.3
187.14853	1.3
216.06339	4.3
243.21126	2.6
261.22128	7.1
304.26370	20.6
312.62677	1.0
317.24799	1.7
335.25815	100.0
384.37659	1.0
415.22446	1.8
458.26602	7.8
476.27313	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	476.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.5
57.03426	1.2
60.16148	0.8
69.03446	4.5
69.04552	2.4
69.06738	1.0
69.07077	13.1
69.54615	5.8
70.06589	1.9
72.08156	2.8
74.06082	10.5
75.05604	7.5
84.04516	12.8
85.02908	3.2
86.06070	7.9
86.09709	100.0
87.04472	2.0
87.05585	0.9
90.63917	0.8
91.05573	1.0
96.04487	4.5
96.38895	0.8
97.02883	3.4
102.05551	6.3
107.91895	0.7
109.04011	5.3
112.03966	2.9
113.07130	13.6
115.03928	3.4
115.05074	1.4
119.04956	0.9
130.05006	8.8
131.08163	5.8
133.04976	3.6
137.03424	4.6
141.05713	0.6
141.06593	41.5
143.11803	43.5
147.04410	5.7
148.06053	28.2
150.07487	1.1
153.06578	5.5
154.06104	4.4
158.95746	0.9
159.07646	5.2
161.67764	0.7
165.05482	2.9
169.06062	1.0
170.09279	3.1
171.11316	6.8
182.04955	2.4
198.08746	22.7
199.14346	1.3
216.09837	8.1
222.12366	9.5
227.13969	0.9
239.15088	2.1
250.12067	1.2
261.14478	7.6
283.17639	13.1
284.16052	2.2
301.18695	46.4
302.05734	0.9
311.17050	2.6
312.20108	0.9
318.16568	4.7
329.18213	26.3
329.21729	0.9
376.24911	0.9
397.17377	2.2
414.19894	2.8
419.21143	1.2
440.21222	1.1
458.22385	7.7
476.23483	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58610	0.3
53.03940	1.1
55.01862	1.1
55.05523	2.0
57.03418	0.6
61.02938	0.6
67.05502	0.9
69.03431	3.1
69.07076	5.6
69.46229	1.0
69.46649	1.4
70.06593	0.9
71.05013	0.7
73.02917	0.7
74.85522	0.3
74.94358	0.3
79.05485	1.2
81.03419	4.0
81.07057	2.7
83.08619	1.6
84.04478	0.3
84.08152	0.3
85.02448	0.6
85.02911	8.3
86.09713	1.2
87.00832	3.4
87.10045	0.4
91.03957	0.4
91.05460	3.3
93.07059	1.9
94.06562	0.5
95.04984	0.4
95.08614	4.6
97.02887	3.2
99.04465	1.5
105.01886	3.4
105.07045	7.2
107.08585	3.0
109.02889	3.1
109.06508	0.3
109.10181	1.5
117.07051	0.8
119.08588	28.8
120.08190	0.4
121.06403	0.3
121.10178	2.5
123.08107	0.4
123.11692	0.4
127.03925	5.5
129.01898	0.4
131.08527	0.9
133.10141	24.9
135.11725	1.5
137.09628	0.5
145.04964	3.1
145.10110	1.7
147.11688	4.5
154.08647	0.7
158.10890	0.3
159.02913	2.0
160.12503	1.3
173.13239	1.2
175.14835	100.0
176.15196	1.2
177.16347	1.6
193.15878	4.9
198.11278	0.5
201.26315	0.4
213.04054	0.4
231.04970	1.4
249.06119	0.4
310.14371	0.4
342.05579	0.3
458.26529	0.4
476.19418	0.6
476.26834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
53.51638	0.5
55.01859	2.0
55.05504	1.7
56.05015	0.9
57.03424	0.8
61.02934	1.0
62.06083	1.8
65.10741	0.7
67.05521	2.7
69.03149	0.6
69.03432	6.6
69.07063	1.6
70.02954	1.2
70.06594	1.0
71.05000	0.8
71.08638	6.3
71.51756	0.7
71.52133	0.5
72.08115	1.0
73.02905	2.4
79.05504	3.3
80.05007	0.6
80.47094	0.5
81.03394	1.3
81.07058	6.9
82.06577	2.1
83.08617	1.6
83.76859	0.6
84.08153	0.6
85.02905	7.0
86.06074	20.3
86.09689	0.8
87.04479	1.6
91.05499	3.1
93.07048	3.7
94.06562	2.0
95.04953	0.8
95.08605	2.7
96.08119	1.4
97.02906	4.8
97.06532	1.1
97.10128	0.7
98.09702	2.2
99.04462	1.9
99.08102	9.0
101.02399	3.9
102.05552	0.6
105.07019	2.0
107.04949	0.7
107.08594	1.6
108.08093	2.5
109.02885	1.5
109.06526	6.8
109.10152	1.8
110.06012	0.6
111.08105	4.3
116.10735	9.2
119.08624	1.2
120.08121	0.6
121.06502	1.0
121.08850	0.7
121.10188	0.6
123.11675	0.9
123.35025	0.7
124.07578	1.4
124.11265	1.4
127.03952	4.7
131.08514	0.7
133.10124	1.3
134.09644	2.5
135.08023	0.6
135.11717	0.5
136.07529	1.2
137.05959	2.5
137.09589	0.7
142.08684	4.4
142.12279	0.8
143.10651	2.1
145.04948	2.2
145.10112	0.8
148.12392	0.6
152.10703	2.0
154.08604	7.0
163.11250	0.6
165.09106	1.2
166.09523	0.8
170.11761	5.3
173.13283	0.7
175.14848	0.7
180.10234	3.0
191.14316	0.9
193.34874	0.6
198.11266	100.0
214.18091	0.7
216.12325	59.2
221.15370	1.0
243.12254	0.7
252.38440	0.6
261.13239	3.7
279.19562	1.8
287.65063	0.7
296.18655	2.3
314.19696	6.2
360.16534	18.0
378.17581	11.9
392.27841	0.8
404.27927	0.7
422.29163	3.6
440.30402	1.0
458.24472	2.4
476.24881	6.7
476.31039	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1919
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03941	1.3
55.01871	0.9
57.03421	0.6
61.02925	0.7
65.68131	0.5
69.03422	1.2
69.07069	1.1
69.77383	0.5
70.06597	3.1
70.15079	0.8
70.15465	1.6
71.05006	0.6
72.08147	1.3
79.05505	0.5
81.03407	0.6
84.04490	0.9
84.08122	1.9
85.02902	5.1
86.09721	3.1
87.04478	0.7
88.03967	0.6
89.03900	3.4
91.05486	4.7
93.07047	7.3
95.04966	2.0
97.02887	1.8
98.97587	0.5
103.05473	5.3
105.04529	0.7
105.07072	0.5
106.04078	0.5
107.04946	0.5
107.08623	0.6
109.02849	0.4
109.06541	0.5
114.82633	0.5
117.03384	17.1
117.07017	2.4
119.04934	0.6
120.08133	0.9
121.06509	46.5
121.10110	0.8
127.03923	1.2
129.10216	0.9
129.37219	0.4
134.03581	0.8
135.04353	1.1
137.05971	1.1
145.02849	53.1
145.10165	0.8
147.04413	1.6
149.06000	4.5
151.07544	0.8
163.03903	0.8
163.11160	0.6
177.05475	100.0
186.05496	0.7
191.10648	0.6
194.08128	1.1
227.12723	0.5
265.49670	0.5
314.13864	84.7
315.14203	0.9
476.17184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46732	0.4
55.01869	2.2
56.05041	0.5
57.03433	0.9
60.04529	0.9
63.27377	0.4
69.03436	3.7
69.07086	0.7
70.06593	8.0
71.05006	0.6
71.16135	1.0
72.08170	3.2
74.06078	2.8
75.04460	0.6
79.05501	5.4
83.06133	0.8
84.04527	2.4
84.08155	2.3
85.02907	2.9
86.06077	0.8
86.09709	9.4
87.04465	2.3
87.10020	0.5
88.03999	1.4
89.03930	0.8
91.05479	2.0
95.04971	0.8
97.02915	3.3
101.07134	1.8
103.05472	5.8
105.07037	52.4
112.08760	0.6
115.03957	3.3
115.05466	11.3
116.07101	16.2
117.03395	0.8
118.04183	3.9
119.04952	1.7
122.02751	0.5
126.05519	0.5
129.10249	1.2
131.04951	1.7
131.08199	0.6
131.46982	0.5
133.04915	3.2
133.06502	52.3
135.04434	0.5
136.07622	0.6
143.04939	1.4
143.06049	5.1
145.02795	1.0
147.04419	7.5
150.07620	0.7
159.07697	0.9
161.05992	100.0
162.06390	0.9
162.31244	0.6
163.03917	3.4
165.05490	4.0
177.05489	1.6
178.05823	0.8
180.08818	0.5
187.14429	6.4
189.05330	0.6
193.08621	79.9
194.08974	1.0
207.06479	0.9
215.13934	6.3
229.15549	1.6
244.09322	0.9
257.14993	1.0
261.11118	0.6
284.07956	1.0
297.18057	0.7
330.19891	0.7
477.19083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99994	0.7
54.21640	0.8
55.01868	1.9
55.05495	0.8
57.03443	14.5
58.96687	0.8
59.05006	3.7
60.04510	2.0
61.02928	1.8
69.03435	51.0
70.06577	1.7
71.04968	1.0
71.51294	1.2
72.08160	1.5
73.02915	1.8
74.06055	1.2
74.09720	1.4
75.04499	0.9
76.21226	0.6
77.49686	0.8
81.03417	2.1
83.04961	1.0
84.04505	1.3
84.08122	1.5
85.02913	31.9
86.09707	5.3
87.04475	32.4
91.03967	1.3
91.05486	6.3
97.02901	39.9
99.04428	1.1
99.50385	0.8
109.02884	1.0
115.03940	53.1
119.04954	17.8
121.06544	1.2
123.04440	1.3
127.03911	2.6
129.10291	0.9
130.37985	0.7
133.04974	52.6
143.04933	1.0
145.02823	2.0
145.04964	4.5
146.03241	0.9
147.04422	100.0
148.04747	0.9
150.07628	17.6
161.05980	1.8
162.07631	0.8
165.05492	54.6
171.04408	2.8
177.05470	3.8
177.08105	0.7
178.05803	1.8
180.08696	2.5
189.05505	6.8
193.40446	0.7
197.05984	0.7
207.06538	10.3
215.13974	0.9
223.06076	0.8
241.07184	1.3
243.06535	3.5
259.08118	1.4
261.07639	2.1
277.09262	1.4
279.08643	5.5
295.10431	0.7
312.12988	1.5
314.13550	2.4
339.90155	0.8
476.15967	1.3
484.57260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01876	3.9
55.05516	1.0
56.05037	0.9
57.03431	3.3
60.04513	1.0
61.02918	2.9
68.99775	1.2
69.03085	1.1
69.03432	12.5
69.07051	0.8
69.26009	5.7
70.06603	7.0
71.04984	1.9
72.04520	5.0
72.08145	2.7
73.02914	3.3
74.06068	0.8
78.04733	1.0
79.05487	1.9
81.03423	13.9
81.07053	1.0
82.07375	0.6
84.04496	1.9
84.08141	3.6
85.02911	32.5
86.09710	8.6
87.00829	11.6
87.04471	1.7
87.10021	1.4
89.06034	23.8
91.03954	0.8
91.05470	2.9
93.07030	1.5
95.04978	0.9
97.02293	1.0
97.02894	13.3
98.06021	1.0
99.04453	6.2
102.05558	1.0
103.03936	1.6
103.05453	0.7
105.01877	9.5
105.07037	3.8
106.04155	0.8
107.04955	2.5
108.04478	4.3
109.02885	15.7
109.06522	0.8
109.10143	1.0
110.07188	1.1
111.04420	1.0
115.03915	0.8
115.05460	1.0
116.07095	2.4
117.01874	2.0
117.06958	0.8
119.04924	0.9
119.08549	0.8
120.08092	2.3
121.06489	1.7
122.68420	0.7
123.04428	2.7
126.05518	1.8
127.03928	22.1
129.01804	1.6
129.10260	1.4
129.34372	0.7
131.03386	0.9
131.04881	0.7
131.07033	0.7
133.06502	1.5
133.08614	15.3
134.06042	1.0
135.08086	0.9
136.07484	0.7
137.05965	1.3
137.09624	2.4
144.06528	0.9
145.04970	10.1
145.06068	1.1
145.10132	0.8
147.02890	1.5
147.07957	1.1
149.05997	1.0
149.09595	3.2
150.09970	2.3
151.03947	0.9
151.07645	0.7
152.07140	0.9
152.10353	0.9
159.02910	8.4
159.09213	3.2
161.06000	2.4
162.07550	0.9
163.07594	2.0
163.11104	0.8
167.07047	100.0
173.05920	1.6
175.07483	1.2
176.03520	0.6
177.05458	1.0
177.11250	6.5
179.07056	1.2
181.08611	2.7
189.03906	2.0
193.08627	17.1
195.10217	1.1
205.08682	1.6
207.10052	1.1
207.13809	2.5
207.36176	0.6
208.10257	0.7
208.14168	2.1
211.07741	0.6
211.09659	13.8
213.03873	1.1
220.08163	5.1
223.09665	1.1
230.06577	1.6
231.04976	4.9
231.10210	0.9
235.09691	2.0
248.07658	3.7
251.09218	2.0
253.10640	0.8
266.08627	1.1
273.11139	0.7
282.00662	0.6
297.20374	0.7
301.10773	1.6
301.16785	0.6
315.14810	1.0
319.11798	2.8
333.16568	6.5
337.12854	1.3
361.16132	1.1
449.91833	0.8
459.28091	6.8
476.14902	0.9
476.22278	0.8
477.08649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01865	2.1
55.05514	7.7
57.03195	1.2
57.03446	13.6
57.07083	33.2
59.04999	1.0
60.54334	0.8
61.02933	39.3
64.44763	0.9
67.05196	0.9
67.05514	13.5
69.03436	17.9
69.07075	10.4
71.01360	3.3
71.04984	3.4
71.08640	26.7
73.02926	18.5
75.04489	1.7
79.05499	5.7
81.03423	13.2
81.07067	22.1
83.04976	1.8
83.08623	13.0
85.02912	39.9
85.06525	1.3
85.10189	15.1
87.04460	1.7
89.06020	1.1
91.03961	28.3
91.05483	4.0
92.07485	0.9
93.07037	4.3
93.67735	1.0
95.04988	1.3
95.08614	26.8
97.02901	40.3
97.10171	6.8
99.04461	7.1
101.02396	8.9
103.03947	5.9
103.07593	1.6
105.07028	2.0
107.04989	1.3
107.08578	1.9
109.02901	8.9
109.06534	1.3
109.10165	11.3
111.04455	1.2
111.11772	1.3
115.03930	3.5
117.05479	3.2
117.30241	1.0
119.08591	2.4
121.16922	1.0
123.11702	6.5
125.13231	1.7
127.03931	16.4
129.05478	4.1
129.07074	1.2
135.11725	1.4
137.13281	2.4
137.88478	1.1
139.14859	1.1
141.05478	1.4
145.04985	7.4
145.10129	1.4
157.36057	0.9
159.06540	2.7
171.11674	1.1
173.02658	1.0
175.55116	0.9
183.06628	5.2
201.07579	5.3
207.13902	1.4
219.08714	1.1
239.23721	26.2
257.24759	3.8
313.27386	100.0
341.27032	3.1
355.28357	3.6
383.27725	2.3
397.29099	1.1
457.31726	7.5
475.26270	1.2
475.32748	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	475.2695
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
52.83138	0.9
53.03935	2.9
55.01877	6.8
55.05271	1.3
55.05516	17.6
57.03446	5.2
57.07071	1.3
59.04995	2.0
65.03951	2.2
67.05143	1.4
67.05510	25.4
69.03422	2.5
69.07065	8.7
69.87170	4.8
71.04992	2.5
79.05499	24.7
81.03426	12.9
81.07059	20.7
83.04973	3.0
83.08632	9.5
85.02908	1.4
85.06561	1.5
91.05485	17.3
91.47324	0.9
93.07052	13.9
95.04974	9.8
95.08607	13.3
97.02908	1.3
97.06544	2.5
97.10177	11.4
98.20878	1.3
103.05465	1.2
105.03364	1.3
105.07036	15.2
107.04967	8.4
107.08608	12.0
109.02892	5.8
109.06524	2.9
109.10165	9.4
111.08076	2.0
115.05509	2.3
117.07018	9.6
119.04964	3.2
119.08591	8.5
121.06498	7.6
121.10155	5.1
123.04472	2.2
123.08095	3.7
123.11682	1.3
125.02362	3.5
125.09639	9.4
128.06215	2.2
129.07025	7.2
131.05000	4.3
131.08557	9.2
133.06512	7.3
133.10097	4.5
135.04431	2.9
135.08055	3.9
135.11703	4.3
137.06012	1.6
137.09639	1.4
139.07513	1.4
141.07002	3.3
143.08588	6.5
144.05710	1.1
145.06512	8.0
145.10117	6.9
147.04431	3.8
147.08041	5.8
147.11681	3.6
149.06015	2.4
149.09644	3.7
151.07556	1.5
153.07104	1.4
153.09142	1.7
155.08574	4.3
157.06525	3.4
157.10144	4.2
159.04405	1.8
159.08061	4.7
159.11639	1.5
160.05244	2.5
161.05998	18.2
161.09674	3.2
163.07552	1.7
163.11183	7.1
165.07071	1.8
165.09134	1.5
167.08583	2.1
169.06548	2.3
169.10153	3.8
171.08096	5.6
171.11678	2.1
173.06056	3.6
173.09599	5.7
173.11835	1.4
173.13286	1.7
173.93861	0.9
175.07582	3.5
175.11208	2.5
175.14786	1.2
177.09119	1.2
179.08510	1.2
181.12399	1.2
183.08064	2.6
183.11717	3.1
185.06029	1.7
185.09630	2.2
185.13240	2.5
187.07581	1.7
187.11215	2.6
189.09177	2.7
189.11246	3.3
191.10680	2.6
193.10490	0.9
193.12300	3.9
194.08707	1.0
195.08229	1.4
195.11710	2.1
197.05986	1.5
197.09618	1.9
197.36440	1.0
199.11240	1.7
201.09113	1.3
201.12836	1.9
203.14360	1.1
205.12329	2.5
211.11162	4.2
213.12656	2.1
215.10829	1.1
225.12801	2.6
227.12674	4.7
229.12169	1.3
231.13840	4.3
235.11157	1.6
237.11067	1.8
239.10710	1.3
241.12108	1.1
243.13844	3.0
249.14909	1.7
255.13774	1.2
257.15378	1.3
259.13254	1.2
269.15381	2.8
271.13242	4.5
273.14899	4.1
273.22150	1.2
285.14877	2.2
287.16464	1.6
289.14349	13.9
303.16098	2.4
313.17834	1.2
315.15561	1.2
337.21664	2.7
347.20163	1.8
355.22592	5.6
365.21082	11.9
373.23761	1.2
383.22198	55.3
401.23282	23.1
403.22659	1.8
419.24368	3.9
421.23660	3.0
431.24210	5.6
439.24939	8.5
457.25858	53.9
458.26456	1.1
475.26950	100.0
476.27054	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	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01870	3.5
55.05516	3.9
56.05032	1.5
57.03439	4.1
59.04983	2.0
61.02927	4.3
67.05505	5.1
68.99796	1.6
69.03434	16.0
69.07070	4.1
70.06590	10.1
70.41497	4.1
71.04998	24.7
72.08179	3.0
73.02930	2.3
79.05486	4.3
81.03422	17.1
81.07052	10.3
83.08627	5.1
84.08153	1.6
85.02908	26.5
85.06542	9.6
86.06052	1.3
86.09707	5.7
87.00834	14.3
91.03966	1.5
91.05478	5.8
93.07055	9.5
95.04977	5.7
95.08620	8.6
97.02893	9.7
97.06544	6.5
99.04458	75.5
99.08138	1.5
101.16548	1.2
103.05511	1.5
105.01871	8.2
105.07028	10.4
106.47501	1.2
107.08586	17.2
109.02882	11.0
109.06530	13.8
109.10163	9.6
111.04432	1.4
111.08163	2.0
113.09660	3.7
115.07560	2.2
117.01855	1.6
117.07005	2.1
119.04951	1.3
119.08590	7.8
120.08078	1.4
121.06502	4.2
121.10151	12.6
123.08064	18.6
123.11716	7.4
123.65767	1.2
125.09638	4.0
127.03925	20.2
127.07567	1.6
129.01886	2.0
129.06998	2.2
131.08572	6.7
133.06514	2.2
133.10138	25.3
135.08116	3.8
135.11710	2.1
137.05965	1.7
137.09622	2.1
139.11195	4.2
141.12794	1.4
143.08549	2.4
145.04959	5.7
145.10133	4.7
147.08041	2.1
147.11705	11.1
149.09639	2.5
149.13287	6.5
151.11143	8.9
153.09125	4.9
158.10942	1.5
159.02945	3.9
163.11182	1.9
163.14844	3.0
165.09172	2.3
165.12733	5.7
167.10684	2.9
167.14236	1.5
169.12248	13.5
169.34908	1.3
173.09647	1.4
173.13274	12.4
177.05426	1.6
183.13812	18.1
191.14301	18.1
209.13565	1.5
209.15363	36.5
211.16983	2.3
227.16422	100.0
231.04965	2.1
299.44910	1.3
338.11105	2.1
349.96521	1.2
351.71671	1.2
353.15451	1.3
413.97247	1.4
457.25876	3.5
471.45105	1.4
475.20874	2.5
475.26938	1.6
475.32568	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	475.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01871	0.8
55.05502	0.6
57.03440	0.4
61.02925	0.8
61.40414	0.4
65.03943	6.3
65.04282	0.4
67.05502	1.3
67.79464	0.3
68.99784	1.7
69.03440	0.8
69.07063	0.4
71.04996	0.3
71.52447	0.4
79.05482	1.3
81.03410	0.9
81.07061	1.5
83.08596	0.5
83.56738	0.3
85.02926	1.6
85.24326	0.3
86.03226	0.3
87.00822	0.8
91.05480	100.0
92.05813	0.4
93.03403	4.4
93.07050	1.3
95.04969	1.0
95.08575	0.7
97.02888	1.6
97.06516	0.4
103.03951	0.5
103.05447	0.6
105.03378	0.7
105.07027	4.0
107.04970	0.6
107.08611	0.8
109.02916	0.5
109.10165	1.2
115.05465	0.8
117.07020	0.5
119.04941	0.9
119.08543	0.7
121.10168	0.8
123.08031	0.3
123.11694	0.5
125.09618	0.5
128.06212	0.4
129.01837	1.2
129.07005	0.5
131.04912	0.7
131.08569	0.4
133.06496	0.4
133.10149	0.8
135.04453	0.3
135.08009	0.5
135.11703	0.4
143.04971	0.7
143.08627	0.5
147.02911	0.6
147.04408	0.6
149.02328	1.9
149.09616	0.4
151.11226	0.3
155.04932	0.6
157.06404	0.4
159.04456	0.7
159.08174	0.3
161.02353	1.4
161.06012	0.8
163.11143	0.5
165.09125	1.8
167.03398	2.2
173.02396	2.2
173.05939	0.4
175.03903	2.0
178.07800	0.9
179.03398	3.2
179.08635	0.3
181.01318	0.6
186.03111	0.4
187.03941	1.2
189.05540	0.9
191.03389	5.6
193.10036	0.3
197.04460	0.5
199.03951	0.4
201.05455	1.5
203.03433	3.2
205.04996	0.7
207.08063	0.4
209.06029	0.4
209.18886	0.4
211.07602	0.3
213.05444	0.6
214.18166	0.3
215.03394	3.5
217.05058	0.8
221.04410	0.3
221.09712	1.6
227.03363	0.7
227.20171	0.3
229.05058	1.0
233.04454	6.7
235.07620	0.4
237.09206	0.4
239.07014	5.0
239.10689	0.3
244.03726	0.8
245.04434	2.5
249.09140	0.4
251.07095	2.1
257.04425	3.0
257.08139	2.8
263.05304	0.6
265.08557	1.5
269.08084	2.0
275.05630	1.3
279.10190	2.3
281.08051	0.8
289.08563	0.5
291.10333	0.4
293.08075	15.4
294.08304	0.3
300.20419	0.5
305.08139	0.9
307.09637	1.2
311.09161	8.1
317.08047	4.0
323.09180	3.0
331.04474	0.4
335.09152	22.4
336.09476	0.6
343.04330	0.3
349.05649	0.6
353.10190	8.9
361.05563	0.6
367.06735	0.6
371.11258	0.8
383.22107	1.1
401.23282	0.3
404.36774	0.3
409.09253	0.9
421.09290	2.2
439.10236	6.9
457.11383	3.0
457.25461	0.7
475.26801	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	474.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
57.03438	0.3
61.02928	0.4
62.18164	0.3
63.02377	0.5
69.03437	1.0
70.06591	0.3
70.69122	0.8
72.08141	0.6
72.69613	0.3
81.03427	0.5
83.12898	0.3
85.02904	3.0
86.09711	0.9
89.03912	4.8
91.05485	0.5
97.02915	0.6
103.05466	0.3
106.04150	0.4
107.44785	0.2
109.02919	0.5
117.03382	16.6
117.07012	0.6
121.02872	0.5
127.03902	0.5
134.03625	0.8
135.04437	0.5
136.07516	0.3
137.05988	0.5
141.14688	0.2
144.04355	0.3
145.02847	48.5
145.06488	4.3
149.05981	5.1
155.05994	0.3
159.04405	0.3
160.05081	0.2
162.05511	1.4
164.38783	0.2
175.07582	0.4
177.05472	100.0
178.05853	0.6
186.05452	0.4
188.07065	1.9
235.07494	0.3
312.12296	24.7
472.69659	0.3
474.17346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01875	1.0
55.05511	1.2
56.05012	1.5
57.03410	1.5
57.07075	3.9
60.04511	1.4
61.02921	1.7
66.86919	0.8
67.05513	6.4
69.03417	5.1
69.25583	2.9
69.26015	4.6
70.02974	1.1
70.06596	11.1
71.04994	1.8
72.08157	12.8
74.06055	0.8
80.57512	0.8
80.66042	0.7
81.03416	3.5
84.04518	5.1
84.08150	5.1
85.02911	14.2
85.06545	36.2
86.09715	14.1
87.04472	0.8
87.05593	1.6
88.03989	2.2
89.03912	3.4
91.05476	8.7
95.04979	10.3
95.06053	1.0
97.02893	5.0
98.21547	1.4
102.05511	0.9
103.05485	1.6
107.04959	4.0
109.02863	1.2
109.06571	1.2
113.05998	3.5
117.03394	10.6
119.04945	34.5
120.08109	0.8
121.06520	3.7
123.04433	57.4
127.03906	2.8
129.10252	3.4
130.05032	1.1
131.07048	1.5
133.06081	1.0
136.07590	22.6
137.05962	1.6
141.06577	1.5
145.02852	33.4
145.04945	2.3
145.06502	2.9
147.04416	26.4
147.07655	1.5
149.05992	3.0
157.06229	1.3
162.05403	1.0
163.03899	1.5
165.05482	59.8
167.07043	0.9
175.07401	1.0
177.05479	60.8
180.08829	13.0
182.08144	1.7
183.14897	0.9
187.10805	1.6
220.13286	3.8
228.13406	1.3
247.12820	1.0
266.11032	1.5
266.13882	31.1
295.11761	12.6
312.14606	100.0
313.14816	1.3
354.15671	1.3
410.17630	0.8
420.16946	0.9
438.17474	1.1
456.18365	2.2
474.18692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68753	0.2
53.03946	0.4
55.01878	0.4
55.05524	1.7
56.05037	0.7
56.67467	0.2
57.03457	0.3
57.05832	0.3
58.06598	0.3
63.15213	0.2
67.05517	0.4
67.59797	0.2
69.03439	1.4
69.07072	4.5
69.49604	1.6
70.06589	1.3
70.32122	0.2
72.08160	22.5
73.02916	0.4
81.03433	1.2
81.07056	0.6
83.04993	0.3
84.04512	1.9
84.08141	0.8
85.02911	2.6
85.06544	0.6
86.09712	100.0
87.00819	0.9
87.10034	1.0
88.04015	0.3
91.05482	0.5
93.07044	0.5
95.04984	0.4
95.08622	0.3
97.02902	0.8
97.06520	0.2
98.21487	0.5
99.04471	0.3
102.05562	1.2
104.05321	0.3
105.01877	0.6
105.07021	0.7
107.08597	0.5
108.71345	0.2
109.02890	1.1
109.06517	0.4
119.08605	0.6
121.06496	0.4
121.10188	0.6
123.08089	0.8
127.03946	1.7
129.10226	0.4
130.05034	1.6
133.06099	0.3
133.10182	0.3
145.04985	0.8
145.10146	0.8
147.11655	0.3
148.06067	7.5
149.09647	0.4
151.07538	1.6
157.17003	0.2
159.02951	0.9
163.11197	4.9
171.11728	0.3
185.16508	19.8
189.03798	0.3
189.12712	0.8
196.78194	0.2
198.72952	0.2
199.18117	0.5
200.18425	0.3
207.13818	1.6
213.15994	21.6
217.08705	0.2
223.13211	0.6
225.14948	0.3
227.17519	0.4
228.17943	0.2
231.04987	0.6
243.13437	0.8
245.11285	0.3
246.14432	0.3
247.14824	0.5
261.14474	40.3
262.14856	0.3
277.58197	0.2
281.22336	1.0
326.24414	4.7
329.03629	0.3
336.74469	0.2
360.21133	1.0
411.16882	0.2
473.15744	0.4
473.30078	2.6
473.36295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
54.68655	1.5
55.01864	5.4
55.05511	23.8
57.03431	6.3
57.07073	8.0
58.99584	10.2
61.01161	2.1
61.02925	3.5
65.51245	1.5
67.05508	45.8
69.03429	14.8
69.07069	50.7
69.07423	3.6
70.06567	2.6
71.04997	4.6
71.08631	3.8
71.53040	2.1
73.01152	1.8
73.02923	4.6
73.04503	1.8
76.02221	6.6
76.04005	3.2
78.25089	1.5
79.05492	37.3
79.73560	1.6
81.03440	8.6
81.07059	94.4
82.72123	1.5
83.04980	4.1
83.08620	27.1
84.04536	1.8
84.08160	3.2
85.02907	67.3
85.06540	7.8
85.10185	1.8
86.09695	3.0
86.99045	4.8
91.03899	1.9
91.05485	22.8
93.07048	56.1
95.04956	7.0
95.08611	80.9
97.02897	11.9
97.06534	7.4
97.10170	18.0
99.04451	2.8
99.08093	10.8
100.11160	1.7
105.04510	2.1
105.07027	22.7
107.04965	5.3
107.08604	45.0
109.02882	7.0
109.06524	3.7
109.10164	54.4
111.04486	3.0
111.08073	5.5
111.11708	12.4
113.09665	1.6
115.03944	2.1
116.01675	23.1
117.07028	6.6
119.08594	17.6
121.02901	1.7
121.06506	5.1
121.10149	27.8
123.04432	1.8
123.08050	2.4
123.11710	27.6
125.09635	5.1
125.13281	9.2
127.03925	18.8
128.11507	1.9
129.06999	4.5
131.08585	9.7
133.10130	14.7
135.08093	2.6
135.11699	29.5
137.04205	1.9
137.09605	6.8
137.13237	14.2
139.11200	2.2
139.14777	2.0
143.08556	5.0
144.01163	10.8
145.04958	22.3
145.10120	11.8
147.07994	1.9
147.11679	9.5
149.06023	2.0
149.09622	4.6
149.13260	22.5
151.07555	2.2
151.11163	6.8
151.14809	6.6
157.10127	3.8
159.11717	7.8
161.09569	1.8
161.13249	6.0
162.02197	49.1
163.06017	22.4
163.11224	3.1
163.14818	10.9
165.09143	11.8
165.16371	2.2
171.11761	3.9
173.13284	7.1
175.11197	2.0
175.14812	1.8
177.16406	3.1
179.04909	11.2
179.17871	2.6
183.11633	1.7
185.13280	4.1
189.09039	2.5
189.12750	1.9
191.17986	2.4
193.12241	2.2
193.19460	2.7
199.14742	2.3
205.19522	3.3
207.13841	2.7
219.13976	2.3
219.21060	3.4
221.15366	2.6
225.14667	2.1
241.19576	3.4
249.18365	1.9
259.20676	9.5
271.15393	1.9
275.20215	3.5
275.27328	6.9
277.21631	100.0
291.17581	2.4
293.28290	11.8
303.26669	1.9
305.28329	3.1
309.18756	5.9
334.21750	2.3
353.21375	2.3
381.20575	3.0
389.30359	2.3
399.21765	3.1
401.30746	2.5
407.31644	2.6
438.23138	5.9
443.33548	4.8
455.25671	11.2
455.31073	3.1
456.24310	2.9
473.17807	2.3
473.25705	20.4
473.32980	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	473.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25264	0.4
55.05512	3.3
61.02929	0.5
61.16621	0.4
67.05529	0.9
69.03440	0.5
69.07066	1.1
70.02956	0.7
70.06609	0.8
71.01342	0.4
71.04990	0.3
71.52359	0.5
71.52753	0.4
72.08157	0.6
73.02966	0.4
74.59335	0.4
79.05495	0.9
81.03421	0.9
81.07069	1.5
83.04958	0.6
83.08607	1.0
84.08149	1.1
85.02902	1.2
85.06556	0.5
86.06076	10.6
86.09710	100.0
88.03996	12.2
88.04549	0.5
91.05483	0.6
93.07051	0.6
95.04990	0.7
95.08600	0.5
97.01157	0.4
97.02851	0.7
99.01584	0.4
99.04453	0.5
100.03996	0.5
100.11268	2.4
105.07083	0.8
107.08594	1.1
109.10157	0.8
110.06062	0.3
111.04427	0.5
112.07555	0.4
114.05540	15.0
119.08566	0.8
121.10194	0.5
125.09673	0.4
127.03947	0.4
131.08751	0.4
132.10231	1.5
133.10173	0.4
135.11649	0.5
136.06210	2.7
137.09619	0.5
138.09090	0.4
141.10240	1.2
155.11827	0.4
156.10231	1.6
163.11198	0.4
165.09116	0.6
166.08609	0.4
167.07063	0.5
175.11331	0.4
182.15475	0.4
183.11319	1.2
184.09712	0.5
193.12297	0.4
201.12361	8.1
207.13841	0.6
219.63707	0.4
228.13826	0.8
228.64030	0.4
229.08228	9.2
229.11748	3.6
237.14378	0.7
237.64430	0.5
245.18633	4.9
246.65034	0.5
269.08157	0.5
296.16229	0.8
314.17093	7.2
341.72433	0.4
342.16571	5.7
350.72794	0.8
389.09430	0.4
392.21234	0.8
409.23941	0.4
445.80225	0.8
446.30466	0.7
454.80957	1.9
455.25006	0.6
455.31079	0.9
463.81339	5.4
464.31589	1.5
472.81897	35.9
473.25568	0.8
473.32080	11.1
473.82007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.29
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02372	1.8
53.03957	10.3
55.01874	4.0
55.05510	17.0
57.03428	3.9
61.02908	2.1
65.03928	3.5
66.12789	1.2
67.05507	45.5
69.03420	3.7
69.07065	12.2
71.04976	2.1
77.03933	1.7
79.05494	56.9
81.03420	87.9
81.07055	35.6
82.07385	1.3
83.04986	10.5
83.08624	14.7
85.02908	1.8
89.06054	1.8
91.05486	56.9
93.07043	47.4
95.04972	35.6
95.08607	18.3
97.02881	4.6
97.06530	5.3
97.10162	5.4
99.08148	1.8
103.05479	2.8
105.04501	2.1
105.07037	35.8
107.04939	9.5
107.08595	16.2
108.44498	1.3
109.06528	7.9
109.10176	6.9
111.08094	6.1
115.05475	3.2
117.07026	8.1
119.08581	26.3
121.06512	5.1
121.10123	6.9
123.08080	5.9
125.09638	2.2
128.06244	3.6
129.07008	20.5
130.79311	1.3
131.04910	1.5
131.08592	8.5
133.06500	5.1
133.10149	10.6
135.08002	1.4
135.11681	2.8
141.06975	2.0
142.07799	2.9
143.08546	7.0
145.06468	3.0
145.10104	8.6
147.08046	6.0
147.11688	23.1
149.02373	8.3
149.09636	4.1
155.08594	1.7
157.10098	10.2
159.11765	1.6
161.09621	3.9
161.13214	7.0
165.09229	1.6
165.12776	2.2
171.11700	19.9
175.07602	2.0
175.11244	6.1
177.12778	1.5
189.12712	8.3
193.05013	3.8
193.12245	22.0
193.13869	1.6
207.13805	21.6
217.08646	1.7
229.16040	1.6
245.15807	1.4
249.14871	4.5
281.17401	1.4
363.23178	1.4
381.24353	4.1
408.15704	1.7
421.07513	1.5
455.28244	2.8
473.14474	4.0
473.29016	100.0
474.29349	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87711	0.3
55.01850	0.3
55.05506	1.4
56.05035	0.6
60.03125	0.3
67.05491	0.3
69.03448	0.6
69.07070	6.7
70.06591	3.3
71.29003	0.3
71.51493	0.6
72.08156	17.0
80.92355	0.3
81.03429	0.6
81.07047	0.4
83.04985	0.3
84.04514	2.0
84.08142	1.7
85.02906	0.7
86.09708	100.0
87.05619	0.3
87.10050	0.5
87.63898	0.3
91.05477	0.3
91.88640	0.3
95.04992	0.3
100.11254	0.6
102.05540	1.0
111.04424	0.4
116.10330	0.3
120.08120	0.3
123.08099	0.4
125.82325	0.3
127.03921	0.4
129.10255	0.5
130.05013	1.6
136.07553	1.7
137.05983	0.6
143.11800	0.4
147.04401	0.4
148.06052	7.1
149.09534	0.4
163.11278	0.5
167.07031	0.8
181.44139	0.3
185.16496	21.2
213.15987	21.7
214.16393	0.3
225.14780	0.3
225.75969	0.3
236.00700	0.3
239.03445	1.3
243.13359	0.5
261.14462	36.4
281.22333	1.1
299.05447	0.5
311.14075	1.1
326.24384	4.3
360.21368	1.1
455.18784	0.3
456.20239	0.6
460.36557	0.3
462.32544	0.4
462.58997	0.3
473.14630	0.8
473.23587	0.9
473.29712	2.4
473.36221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38459	1.4
53.03946	2.5
55.01865	4.3
55.05501	6.1
55.58355	1.5
57.03419	2.3
57.07053	2.9
67.05511	10.0
69.03429	13.2
69.07076	8.0
69.96282	4.7
70.06594	22.9
71.04996	3.3
72.08143	6.2
73.02913	3.2
79.05485	4.1
81.03419	13.9
81.07053	4.9
83.04995	2.3
84.04497	2.0
84.08148	7.9
85.02919	15.7
86.09710	26.2
87.00833	9.3
87.10050	2.0
91.05476	11.5
93.07038	8.0
95.04980	2.9
95.08610	83.1
97.02890	6.7
97.06516	1.9
98.21404	3.2
99.04435	3.0
103.05456	1.8
105.01855	3.9
105.07031	19.6
107.08617	9.4
109.02884	7.5
109.06524	4.3
109.10154	5.3
113.09610	1.9
117.01875	1.5
117.07033	2.8
118.06882	2.1
119.04928	2.1
119.08583	50.2
120.09386	1.8
121.06533	2.0
121.10168	18.4
123.08086	14.7
124.08868	1.7
127.03928	11.1
129.01865	2.0
129.10228	4.2
131.08548	4.0
133.06503	12.6
133.10153	23.4
135.08078	1.9
135.11693	78.6
137.09624	7.8
137.13254	6.7
143.08479	1.9
145.04947	3.9
145.10199	2.3
146.11021	1.6
147.08064	4.8
147.09132	1.5
147.11687	29.0
149.09613	27.3
151.07538	10.0
156.09331	2.9
159.02843	3.7
159.08014	2.8
159.09189	2.4
161.13258	100.0
162.13579	1.9
163.11194	2.3
171.11754	7.1
174.10446	7.4
179.14345	7.8
183.55356	1.5
189.07430	1.5
189.12746	78.4
199.18040	2.7
200.09210	5.5
207.13802	75.1
213.16251	1.6
225.14935	2.6
231.04976	2.8
291.82156	1.8
293.21112	1.8
353.34909	1.3
362.62576	1.9
417.45511	1.4
455.20154	4.3
473.16360	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25842	0.7
51.28999	0.7
53.03940	2.4
55.01866	2.7
57.03428	1.7
59.04997	1.5
61.02909	1.4
68.99774	1.4
69.03436	10.3
69.07059	1.2
70.06734	3.4
70.13651	0.7
71.04984	1.8
73.02914	1.6
77.98880	0.8
79.05499	5.5
81.03416	7.4
81.07042	3.4
83.04964	1.3
83.08591	0.9
83.34854	0.8
85.02909	17.4
86.09701	1.4
87.00839	8.9
87.04472	0.9
91.05469	2.9
93.07037	5.0
95.04990	1.1
95.08625	1.6
97.02908	7.4
97.06521	3.2
99.04446	2.7
105.01874	5.0
105.07041	5.4
107.04949	2.2
107.08612	6.2
109.02888	5.6
109.06529	2.8
114.23341	0.8
116.90375	0.8
119.08569	5.0
120.91293	0.8
121.06510	1.9
121.10164	10.3
123.08085	5.3
125.05994	1.3
127.03908	7.9
133.06471	1.2
133.10086	1.7
135.08098	0.9
135.11623	1.5
137.09615	4.9
145.04919	3.9
145.10138	3.1
147.08028	1.7
147.11690	3.5
149.09628	100.0
151.07562	1.0
156.09363	1.0
159.02904	3.0
161.13263	4.5
163.11209	2.9
165.12738	3.2
171.11687	2.9
174.10411	2.3
181.12250	14.4
189.12755	21.6
207.13812	65.1
208.14131	1.0
225.14786	1.7
231.04884	1.3
240.15628	1.0
358.94397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01871	1.3
55.05507	1.0
57.03434	1.0
59.04992	1.1
61.02935	1.0
67.05491	1.6
69.03437	5.3
69.16153	5.9
70.06254	1.1
70.06597	12.6
71.04979	2.9
72.08131	2.1
76.19267	0.7
79.05500	3.2
81.03410	3.0
81.07042	2.9
83.04974	2.9
84.08141	2.8
85.02911	7.3
86.09713	5.8
87.00819	2.5
91.05488	2.2
93.07050	6.9
95.04966	1.4
95.08611	3.1
97.02905	2.1
97.06518	1.8
99.04430	0.7
102.07889	0.7
103.05460	0.7
105.01868	2.3
105.07032	9.4
107.08610	4.7
109.02881	2.6
109.06515	3.7
109.10149	0.8
111.04466	0.8
118.06863	1.7
119.08585	6.7
121.06519	3.1
121.10150	8.3
123.08076	28.0
123.11688	2.1
127.03912	3.5
129.07007	1.4
131.08556	1.5
132.08192	1.1
133.06509	1.2
133.10133	2.6
135.08002	0.7
135.56218	0.7
137.09604	5.2
143.08572	1.2
145.04955	1.3
145.10156	2.0
147.08049	2.0
147.11699	4.6
149.09625	100.0
150.09967	1.0
151.07547	1.2
151.11194	1.8
156.09357	2.6
159.08041	1.3
159.09212	1.5
161.09586	1.3
161.13290	5.9
162.07599	0.7
163.11223	3.7
165.12755	3.1
171.11691	4.0
174.10379	4.5
181.12250	2.6
189.12746	18.8
191.72180	0.7
193.87451	0.6
199.18100	0.9
207.13806	65.4
225.14853	4.4
229.15399	0.8
263.22437	0.9
266.14212	0.9
274.12100	0.8
311.89886	0.7
373.19302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01879	5.4
55.05511	19.0
57.07062	13.7
61.02933	5.0
67.05496	33.6
68.03377	4.9
69.03425	16.7
69.07071	14.6
69.57491	13.9
69.57913	18.9
70.06587	36.9
71.04971	8.9
72.08160	11.0
73.02917	5.3
79.05499	26.7
79.99394	5.0
81.03410	27.6
81.07077	25.7
83.04975	29.3
84.04514	8.6
84.08137	12.3
85.02901	21.7
85.06551	75.5
86.09698	23.1
91.05487	32.2
93.07038	45.8
95.04968	21.1
95.08607	22.2
97.02888	12.3
97.06538	8.0
98.20747	6.8
99.08096	9.7
103.05488	5.5
105.07027	47.6
107.08579	29.3
109.02851	6.1
109.06522	8.6
109.10165	9.8
111.08081	26.6
116.07069	6.4
117.07034	9.3
119.04984	7.2
119.08562	40.8
120.08128	11.4
121.06525	11.4
121.10151	25.6
123.04426	8.6
123.08087	10.7
125.09619	24.2
127.03869	6.0
127.07592	7.6
131.08580	18.1
133.06485	11.0
133.10124	20.8
135.08037	10.0
135.11674	7.3
137.09628	60.3
139.11194	11.2
143.08586	9.5
145.10146	27.3
147.08038	10.3
147.11684	20.5
149.09610	23.6
151.11156	7.8
153.09058	25.9
155.10661	5.9
156.09372	5.4
157.10155	16.4
159.07988	5.0
159.11707	11.2
161.09624	21.0
161.13232	12.4
163.03865	9.5
163.11191	17.0
171.11673	16.5
173.13202	8.4
175.11134	10.0
185.13203	7.3
187.14830	5.1
189.12759	39.4
189.16412	10.3
191.14284	16.5
195.10092	5.4
197.13255	11.0
199.11115	11.7
205.12288	11.5
207.13823	6.6
213.16257	6.6
215.07191	4.7
215.14297	17.8
217.12256	10.1
223.13272	8.4
229.15552	14.7
233.15466	5.9
235.13295	8.4
241.05464	4.9
255.17418	7.7
259.02945	4.8
273.18509	99.0
291.19522	100.0
471.19547	17.1
471.25879	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	472.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
55.01873	11.5
55.05519	1.4
57.03437	7.2
61.02930	6.8
67.05503	1.4
68.99795	3.6
69.03432	33.1
69.07070	1.0
69.41194	5.6
70.06577	1.0
71.01342	1.1
71.04988	7.3
73.02911	11.5
75.88054	0.9
76.76650	1.0
77.14285	0.9
79.05489	2.6
81.03419	37.0
81.07058	2.2
83.01330	1.1
83.04956	1.4
85.02907	98.4
85.06564	2.3
87.00832	42.4
87.01365	2.2
91.03970	3.6
91.05470	1.5
93.07054	1.5
95.04948	1.9
95.08599	1.0
97.02894	64.5
97.06525	1.7
98.55068	1.0
99.04459	21.0
105.01870	60.0
105.03390	24.2
105.07053	1.7
108.04507	1.2
109.02880	41.9
109.10158	1.4
111.04429	1.7
117.01873	5.9
119.08572	1.3
123.04428	4.1
126.05490	1.1
127.03920	100.0
128.04257	1.1
129.01840	5.2
144.52202	0.9
145.04965	59.6
147.02885	4.1
159.02890	26.7
159.04137	1.9
165.09114	2.5
175.07521	1.2
177.03973	1.3
189.04105	1.2
189.09096	5.2
193.08592	2.0
211.09734	1.4
213.03970	4.2
231.04999	30.5
249.06056	9.0
263.64142	0.9
315.10757	2.0
340.19446	1.1
416.72778	1.0
472.15613	1.3
472.22330	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04992	1.3
66.35995	1.2
69.27228	1.2
70.06589	7.8
71.51940	2.0
72.08147	1.9
81.87193	1.4
84.08136	7.4
91.05477	1.9
95.41192	1.1
95.41897	1.2
107.05037	1.3
118.06551	19.7
129.04713	1.4
129.06969	1.4
130.06555	3.4
130.08638	1.6
132.08131	6.1
135.04402	1.4
137.50821	1.3
142.06531	2.0
143.07257	2.1
144.08064	12.9
146.06012	61.0
148.07526	2.3
159.08047	1.8
159.09195	5.6
161.09698	1.5
170.06006	3.5
177.09132	1.3
181.88400	1.4
185.09569	2.4
188.07072	100.0
189.07407	1.7
189.09116	2.7
202.12283	5.9
203.10728	2.4
205.09744	44.7
221.01273	1.8
231.10112	4.3
234.15065	1.3
248.12863	2.7
248.55049	1.2
267.01950	2.8
272.11908	1.3
286.60751	1.3
379.18488	1.5
407.18341	1.5
425.19211	11.4
471.20013	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	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01879	5.4
55.05511	19.0
57.07062	13.7
61.02933	5.0
67.05496	33.6
68.03377	4.9
69.03425	16.7
69.07071	14.6
69.57491	13.9
69.57913	18.9
70.06587	36.9
71.04971	8.9
72.08160	11.0
73.02917	5.3
79.05499	26.7
79.99394	5.0
81.03410	27.6
81.07077	25.7
83.04975	29.3
84.04514	8.6
84.08137	12.3
85.02901	21.7
85.06551	75.5
86.09698	23.1
91.05487	32.2
93.07038	45.8
95.04968	21.1
95.08607	22.2
97.02888	12.3
97.06538	8.0
98.20747	6.8
99.08096	9.7
103.05488	5.5
105.07027	47.6
107.08579	29.3
109.02851	6.1
109.06522	8.6
109.10165	9.8
111.08081	26.6
116.07069	6.4
117.07034	9.3
119.04984	7.2
119.08562	40.8
120.08128	11.4
121.06525	11.4
121.10151	25.6
123.04426	8.6
123.08087	10.7
125.09619	24.2
127.03869	6.0
127.07592	7.6
131.08580	18.1
133.06485	11.0
133.10124	20.8
135.08037	10.0
135.11674	7.3
137.09628	60.3
139.11194	11.2
143.08586	9.5
145.10146	27.3
147.08038	10.3
147.11684	20.5
149.09610	23.6
151.11156	7.8
153.09058	25.9
155.10661	5.9
156.09372	5.4
157.10155	16.4
159.07988	5.0
159.11707	11.2
161.09624	21.0
161.13232	12.4
163.03865	9.5
163.11191	17.0
171.11673	16.5
173.13202	8.4
175.11134	10.0
185.13203	7.3
187.14830	5.1
189.12759	39.4
189.16412	10.3
191.14284	16.5
195.10092	5.4
197.13255	11.0
199.11115	11.7
205.12288	11.5
207.13823	6.6
213.16257	6.6
215.07191	4.7
215.14297	17.8
217.12256	10.1
223.13272	8.4
229.15552	14.7
233.15466	5.9
235.13295	8.4
241.05464	4.9
255.17418	7.7
259.02945	4.8
273.18509	99.0
291.19522	100.0
471.19547	17.1
471.25879	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	469.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01864	9.9
55.05310	2.4
55.05514	26.1
57.03209	3.2
57.03440	37.4
61.02930	75.4
65.03939	3.5
67.05507	85.7
69.03436	40.8
69.07072	17.6
71.01362	6.0
71.04991	7.4
73.02928	32.6
75.04478	4.5
79.05495	84.9
81.03419	26.1
81.06595	5.6
81.07057	95.7
81.59914	2.8
83.04970	9.9
83.08626	10.4
85.02905	87.5
87.04474	3.8
87.99727	2.5
91.03964	49.6
91.05477	44.4
93.07041	75.3
95.04963	9.4
95.08617	62.6
97.02899	61.4
97.06526	9.3
97.10133	3.5
99.04462	14.2
99.08102	4.3
101.02380	18.0
103.03951	9.2
105.07030	35.9
107.04945	6.0
107.08598	36.9
109.02909	13.2
109.06520	6.2
109.10165	34.6
111.04411	4.9
111.08100	3.8
115.03920	3.8
117.07044	13.8
119.08591	29.5
121.06506	3.5
121.10147	52.0
123.08042	5.1
123.11686	12.3
125.09628	5.8
127.03923	27.8
129.05495	6.3
129.06960	5.6
131.08557	18.8
131.10683	2.7
133.06450	3.0
133.10127	26.7
135.08044	5.9
135.11696	31.5
137.06026	2.7
137.09605	5.5
139.11177	4.0
143.08553	3.5
145.04950	10.3
145.10104	23.3
147.11713	15.5
149.09612	6.6
149.13232	16.2
151.11143	4.7
155.08583	3.9
157.10107	7.0
159.06535	3.8
159.11711	19.7
161.13257	6.4
163.11165	6.1
165.09120	3.3
169.10126	4.3
171.11693	6.0
173.13271	12.4
183.06444	4.0
183.11639	4.3
185.13158	4.4
187.11255	4.0
189.16396	5.2
201.07515	2.8
211.14627	3.3
213.16547	4.3
215.17975	23.6
233.18999	14.9
245.18867	3.0
275.20313	2.7
287.20224	2.7
307.13394	2.7
307.22699	100.0
335.21979	2.9
341.21063	3.5
359.22400	3.7
433.25668	4.7
451.26639	8.1
469.27951	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02377	2.7
53.21663	1.9
55.01872	2.4
55.05514	15.6
57.03434	5.4
57.07069	2.8
59.11293	1.8
67.05506	23.9
69.03424	5.9
69.07071	22.0
70.06627	2.1
70.67212	4.9
71.04991	2.1
74.92715	2.1
77.03911	2.5
79.05495	29.4
81.03413	2.6
81.07066	68.4
83.04982	19.1
83.08617	11.0
85.02893	4.7
86.09702	3.1
91.05487	33.6
92.85056	2.2
93.07052	47.5
94.06569	6.1
95.04982	12.0
95.07348	4.8
95.07990	3.1
95.08614	62.8
96.08158	13.3
97.02901	3.7
97.06521	19.8
97.10177	4.4
102.44118	2.4
105.07039	85.7
107.08603	73.4
108.08094	2.6
109.06518	7.1
109.10168	44.7
110.09704	19.1
111.08080	7.4
111.10031	5.4
113.00690	2.1
114.40600	2.2
115.05413	2.8
117.07003	13.9
119.08587	100.0
120.08085	10.0
121.08443	5.2
121.09332	4.9
121.10152	54.3
123.08069	6.9
123.11719	22.7
125.09637	13.4
128.06168	2.5
129.07013	9.8
130.07797	2.3
131.08586	44.0
133.10139	61.2
135.08075	3.3
135.11697	26.3
137.09636	5.4
138.09143	19.0
139.09467	8.9
139.11147	2.4
142.07753	5.1
143.08545	18.2
144.09358	4.7
145.02858	3.1
145.10136	76.6
147.11702	41.3
148.07489	3.1
149.07933	2.8
149.09596	4.0
149.13297	16.2
151.11168	6.8
155.08519	6.3
155.32504	2.4
156.09329	3.1
157.10112	23.6
158.10878	4.4
159.08035	2.4
159.11708	61.3
161.02299	2.5
161.13278	33.8
162.60709	2.4
163.03831	10.9
163.07523	3.2
163.11145	4.2
163.14838	18.6
164.14688	2.2
165.12843	2.5
166.08659	23.6
167.09013	12.6
169.10109	12.1
170.10956	4.1
171.11693	25.2
173.02333	9.0
173.13275	44.0
175.14842	36.5
177.12706	5.9
177.16322	12.5
179.14291	5.5
181.10081	2.2
183.11746	7.7
184.07309	5.4
185.13245	26.4
187.14832	41.3
189.12708	4.0
189.16406	28.9
191.14278	23.7
191.17957	6.0
193.15918	7.5
195.11636	3.2
197.13269	8.0
199.14839	37.5
201.16405	46.7
203.14326	11.1
203.18001	9.0
205.15892	50.0
207.17479	4.0
209.13281	3.2
211.14867	11.0
213.16335	20.8
215.07042	17.0
215.14423	2.5
215.17929	12.2
217.15918	18.2
219.14003	3.5
219.17484	42.0
221.15300	3.1
225.16263	2.3
227.17958	8.2
229.15904	13.5
231.17458	16.5
233.15311	2.5
233.19048	5.2
239.18100	5.2
241.19495	6.1
243.17393	2.5
245.19037	3.3
251.16490	6.8
253.19557	4.3
255.21037	2.8
257.19003	4.0
259.09686	27.5
259.20541	5.5
261.22247	2.2
265.19696	2.3
267.21014	3.6
275.13889	3.7
276.14310	4.6
277.10712	17.1
277.17996	4.5
283.20602	7.2
286.12708	4.4
303.13397	30.7
304.13745	59.9
311.23627	2.4
316.13647	4.4
338.17810	4.0
386.02628	2.2
393.31372	9.5
395.33112	6.9
405.31525	28.0
407.33124	9.7
423.32578	44.9
425.34067	6.0
433.20654	2.4
433.30746	2.8
439.32068	6.6
439.71719	2.3
451.32159	16.5
469.21902	26.1
469.27664	3.7
469.33118	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.1
54.10926	3.4
55.01874	16.1
55.05513	28.1
57.03425	12.2
57.07077	8.9
61.02921	7.8
61.27079	3.1
63.66306	3.2
65.03938	7.1
67.05198	3.7
67.05512	39.4
68.81879	3.4
68.99780	8.4
69.03442	42.8
69.06742	3.9
69.07075	48.2
70.06590	5.7
71.01371	4.5
71.04997	23.5
71.52637	3.4
73.02927	8.7
77.79019	3.0
79.05495	34.2
81.03426	45.6
81.06594	5.3
81.07061	91.7
82.07379	5.8
83.01320	2.9
83.04967	14.2
83.08630	24.3
84.08133	3.9
85.02911	61.3
85.06539	8.1
87.00843	26.8
89.03933	4.2
91.05488	38.9
93.07050	54.2
95.04971	25.2
95.08614	82.1
97.02899	36.1
97.06538	97.3
97.10153	17.3
98.06856	7.6
99.04450	15.1
99.08063	6.0
103.03899	8.5
103.05469	6.9
105.01864	14.2
105.07041	72.3
107.04936	9.1
107.08601	53.5
109.02883	26.0
109.06503	10.0
109.10160	56.8
111.04427	12.0
111.08080	8.6
115.03933	7.8
117.03403	7.7
117.07007	13.5
119.08589	77.1
120.08091	3.6
121.06498	8.9
121.10149	42.8
123.04420	9.4
123.08046	11.6
123.11700	29.1
125.05947	3.8
125.09622	11.7
127.03922	31.1
127.11195	28.5
128.06187	3.8
129.01849	11.0
129.06978	10.1
131.08577	28.4
133.06485	4.0
133.10132	53.6
135.04420	11.6
135.08031	13.2
135.11726	32.1
137.05980	8.0
137.09621	9.1
137.13269	7.0
139.11194	4.3
141.06992	7.3
142.07779	7.7
143.08559	21.5
144.09351	4.6
145.02823	10.2
145.05008	7.6
145.06454	7.1
145.10130	42.6
147.02956	5.8
147.08023	10.2
147.11723	36.2
149.09631	8.7
149.13307	16.4
151.07539	6.5
151.11214	6.2
153.12700	5.7
155.08508	6.6
156.09406	3.6
157.10149	31.5
159.02873	12.3
159.04436	6.2
159.08015	5.8
159.11723	46.4
160.12334	3.4
161.02328	11.2
161.05945	4.9
161.09616	6.5
161.13287	23.5
163.03918	59.6
163.07478	3.5
163.11198	7.5
163.14848	9.0
164.04321	4.9
165.09142	4.3
165.12718	5.4
167.08557	4.4
167.10730	4.8
169.10130	10.2
171.08017	5.0
171.11679	22.8
173.02356	45.6
173.09601	9.2
173.13216	13.9
174.02626	5.2
175.11220	9.1
175.14839	9.1
177.12828	5.3
177.16370	6.0
181.06543	3.7
181.08647	3.4
181.10114	6.9
183.11655	10.2
185.06052	3.9
185.09583	5.9
185.13200	8.3
187.11159	5.7
187.14806	11.7
189.03885	6.6
189.07137	3.0
189.09064	6.5
189.12759	10.7
189.16415	17.5
191.14265	7.2
191.17937	4.6
193.12215	3.8
195.11668	5.0
197.09625	3.4
197.13306	7.4
199.11172	6.7
199.14812	8.0
201.12791	6.4
201.16360	24.6
203.14304	7.0
203.17978	54.7
207.11841	5.6
207.13695	4.4
209.13429	4.9
213.12813	5.0
213.16397	10.2
215.07047	56.5
215.17984	8.7
216.07339	5.5
219.05043	3.5
219.17496	8.9
221.15579	4.0
221.19043	17.9
223.14824	4.9
225.12764	10.1
225.16408	4.3
227.17944	9.3
231.05035	5.1
231.17407	8.7
233.19026	9.1
241.15947	4.4
243.17422	7.9
245.19006	8.3
257.19135	7.0
259.09656	100.0
259.20834	3.9
260.09998	34.3
263.20056	9.2
275.20215	4.5
277.10718	48.2
283.20685	5.7
287.20160	8.3
293.18997	9.0
301.21356	4.3
311.20181	24.7
329.21182	18.5
343.06192	3.4
347.22226	4.9
365.23325	4.8
383.16797	3.9
389.11438	3.5
415.21112	8.9
433.22116	12.7
435.25723	3.3
451.23294	25.1
469.18991	23.9
469.24786	13.4
470.20291	3.9
474.26028	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.2
53.03953	11.9
55.01869	11.9
55.05513	17.6
55.84066	1.8
57.03427	4.2
57.07069	3.4
59.04976	1.9
61.02917	3.3
65.03936	2.5
67.05509	36.7
69.03150	1.6
69.03437	18.1
69.06802	1.4
69.07075	16.3
69.20228	3.4
69.20630	13.7
71.04983	5.4
73.02898	3.1
74.62215	1.6
79.05500	24.2
81.03422	23.0
81.07063	49.1
83.04987	10.9
83.08620	11.8
85.02909	38.2
85.06532	3.1
87.00838	13.4
90.19439	2.0
91.05482	42.3
93.07047	100.0
95.04982	13.3
95.08611	50.7
97.02891	17.0
97.06526	4.9
97.10160	4.6
99.04456	6.8
101.02338	2.2
103.03903	4.3
103.05437	2.3
105.00785	1.8
105.01873	8.7
105.04513	3.7
105.07034	58.4
107.04939	2.4
107.08604	55.4
109.02881	15.4
109.06522	8.4
109.10162	65.4
111.04449	4.4
111.08080	31.1
115.03904	4.6
117.01833	2.8
117.07010	6.3
119.08591	47.2
121.06493	3.6
121.10147	28.0
123.04437	3.2
123.08053	7.3
123.11704	14.1
125.05984	2.3
125.09605	11.3
127.03905	14.7
129.01860	4.2
129.07011	2.9
131.08589	14.5
133.06494	3.0
133.10130	26.1
135.08035	6.9
135.11690	31.0
137.09613	6.3
139.07617	1.8
139.11136	1.7
142.07784	2.2
143.08542	5.2
145.04935	5.5
145.06407	1.9
145.10147	17.8
147.02901	3.6
147.07997	3.8
147.11696	57.1
149.09631	7.5
149.13242	6.4
151.07448	1.9
151.11186	4.2
153.09140	4.1
155.08554	2.4
157.10158	9.5
159.02887	7.4
159.08095	3.9
159.11705	14.8
161.09604	5.7
161.13254	15.9
163.11159	4.0
163.14796	3.1
165.09122	4.1
165.12677	3.0
169.10101	4.1
171.02704	1.8
171.11699	6.3
173.09586	4.0
173.13222	4.2
175.11142	2.9
175.14851	6.7
177.12758	4.0
183.11685	2.7
185.09515	1.8
185.13309	3.6
187.11153	2.5
187.14722	4.3
189.03946	3.2
189.16382	4.8
191.10774	2.8
195.11713	2.7
197.13184	3.5
199.09532	2.2
199.14746	2.3
201.12811	2.9
201.16475	9.1
203.14702	2.3
203.17966	55.4
205.19524	1.9
211.14790	3.1
213.16464	3.1
215.17979	4.9
217.19444	1.9
219.13882	2.0
219.17479	5.3
221.18993	7.5
225.16295	3.9
227.14339	1.7
227.17926	3.5
231.04903	2.7
233.19022	2.3
243.17398	3.5
245.18953	6.1
249.06087	2.4
257.19012	2.3
287.20050	3.3
293.18881	3.6
299.11084	2.1
309.11255	1.7
311.20068	9.3
329.21112	6.4
347.22104	2.4
415.21051	3.9
433.21973	3.7
451.23251	9.3
461.18195	2.1
469.24362	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.0
55.01861	15.0
55.05508	16.4
57.03426	3.8
57.07082	5.4
61.02917	5.7
64.89518	3.7
67.05507	40.1
68.99787	6.7
69.03436	25.8
69.07077	26.8
70.53394	10.6
71.04994	10.7
72.08148	4.6
73.02922	6.3
77.03936	4.2
79.05492	33.5
81.03426	35.0
81.07059	73.2
83.04982	14.3
83.08628	8.4
85.02904	64.2
85.06522	8.8
87.00832	26.4
91.05479	45.1
93.07049	95.5
94.71558	3.8
95.04980	11.8
95.08614	85.8
97.02894	31.2
97.06530	9.9
97.10187	4.1
99.04461	8.1
103.03945	5.4
105.01868	11.5
105.07037	84.9
107.04933	6.9
107.08601	76.8
109.02859	21.0
109.06522	16.0
109.10155	84.2
110.97487	3.2
111.04422	4.4
111.08083	16.1
115.03934	4.8
116.40432	4.6
117.06968	7.7
119.08591	79.6
121.06505	5.4
121.10136	48.2
123.08070	16.1
123.11724	19.6
125.09667	27.9
127.03911	34.2
128.06245	4.4
129.01840	6.4
129.07002	8.2
131.08582	26.6
133.06520	4.9
133.10133	40.4
135.08057	11.2
135.11717	26.1
137.06032	3.7
137.09628	12.0
139.11215	4.0
142.07779	4.2
143.08589	11.0
145.04962	14.1
145.10150	33.2
147.08047	5.9
147.11688	100.0
149.09653	14.1
149.13281	10.7
151.07486	5.1
151.11224	7.7
153.09077	4.1
155.08595	8.5
156.09372	6.0
157.10129	10.5
159.02866	12.3
159.11714	23.4
161.09561	5.9
161.13324	20.6
163.03864	5.5
163.11194	10.4
165.09134	7.5
165.12721	6.0
169.10144	6.0
171.11676	7.0
173.09630	7.6
173.13293	11.6
175.11250	4.1
175.14845	10.2
177.09142	5.5
177.12801	10.5
181.10072	3.5
183.11720	6.1
185.13292	6.9
187.11224	8.4
187.14868	5.5
189.03877	5.4
191.10590	5.6
197.13216	3.8
199.11061	5.5
201.12810	4.2
201.16341	15.5
203.14560	3.4
203.17961	68.3
213.16457	6.7
215.17996	8.4
219.17477	14.1
221.19011	18.4
225.16487	5.2
227.18013	6.5
229.15948	4.3
231.05006	7.8
231.17516	6.2
243.17435	4.2
245.19014	16.4
257.19080	6.9
269.19156	6.9
287.20004	6.8
293.19110	7.8
311.20108	19.4
329.21024	11.6
347.22116	4.4
347.38681	3.8
415.20990	8.5
433.22241	16.9
451.23199	19.1
469.20157	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
53.56309	0.5
55.01869	0.7
55.05512	3.1
57.03433	1.0
57.07061	0.9
65.03945	0.8
67.05508	5.3
69.03430	1.0
69.07073	5.1
70.06567	1.1
71.04995	0.6
71.52730	0.7
72.08166	0.7
79.05489	3.5
81.03417	1.8
81.07057	7.6
81.28989	0.4
83.04974	1.4
83.08617	1.3
84.08119	1.0
85.02915	3.0
85.06554	0.6
86.09693	0.6
87.00847	1.0
91.05490	7.1
93.03357	0.6
93.07049	6.5
93.41490	0.5
95.04983	1.2
95.08611	15.8
97.02895	6.8
97.06532	8.8
97.10131	0.5
97.15800	0.4
99.08077	0.5
103.05486	0.9
105.07036	29.8
107.04947	0.7
107.08601	5.9
109.02899	0.6
109.06536	1.2
109.10162	8.8
112.52992	0.5
117.07012	1.4
119.08586	18.4
120.08096	0.9
121.06512	0.7
121.10138	4.7
123.08043	1.1
123.11705	2.0
127.03901	1.4
129.06955	0.6
131.08517	2.5
133.06511	0.6
133.10130	22.0
135.02663	1.1
135.04407	0.6
135.11649	1.1
137.05997	1.7
142.53117	0.4
143.08554	0.6
145.02863	1.0
145.10133	3.1
147.04414	0.6
147.08009	1.3
147.11691	61.8
149.09593	0.8
152.14359	1.4
159.02957	0.6
159.04395	0.5
159.11707	2.1
160.12486	1.4
161.02318	1.9
161.13261	5.3
163.03905	6.1
163.11165	1.4
163.14687	0.7
167.03389	2.1
171.08083	0.6
173.02364	5.4
173.13278	0.8
175.07523	0.7
175.14827	2.5
177.05476	0.7
177.12814	0.6
185.13338	0.7
201.05493	1.5
203.17963	100.0
203.72368	0.5
204.18359	1.6
213.05511	0.7
213.09213	0.6
215.07053	7.2
219.06499	1.0
221.15396	1.1
241.08669	0.5
259.09674	11.2
260.10001	1.7
269.08084	0.7
277.07870	0.8
277.10703	8.3
297.07672	1.0
338.17859	4.8
423.13947	0.6
469.21323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02170	0.7
53.03942	3.4
55.01868	2.9
55.05309	0.6
55.05520	7.2
57.03428	2.3
57.07067	1.6
58.95845	0.8
60.67022	0.8
61.02925	1.5
67.05179	1.0
67.05507	9.8
67.68034	0.7
68.99790	0.8
69.03100	0.9
69.03436	11.5
69.07068	5.3
69.55260	4.8
71.04983	2.3
73.02929	1.5
79.05499	6.9
81.03417	8.2
81.06596	1.1
81.07061	20.9
83.05004	3.5
83.08604	2.6
85.02437	1.1
85.02912	15.5
85.06541	1.1
85.19640	0.7
87.00846	7.5
91.03927	1.0
91.05483	6.4
93.07047	9.7
95.04971	3.3
95.08611	29.2
97.02899	7.3
97.06524	8.4
97.10145	1.0
98.21512	1.0
99.04482	1.9
99.08099	1.0
104.49572	0.8
105.01859	5.4
105.07033	18.1
107.04970	1.1
107.08601	10.2
109.02896	7.1
109.06492	3.2
109.10165	23.3
115.03928	0.9
117.07007	2.4
119.08588	18.9
121.06519	0.8
121.10157	9.3
123.04487	0.7
123.08070	1.2
123.11707	28.7
125.09602	1.3
127.03924	9.0
127.11150	1.4
129.01833	1.2
129.06975	1.1
131.08568	3.3
133.10139	15.2
135.08090	1.2
135.11729	3.5
137.05902	0.8
137.09579	1.5
137.13351	0.8
139.07486	1.0
141.07031	0.8
142.07729	1.0
143.08525	2.2
145.02907	1.3
145.04968	3.6
145.10097	5.3
147.08092	4.3
147.11702	17.4
149.09604	1.3
149.13303	1.7
151.11168	0.8
153.12686	1.0
155.08574	1.5
157.10109	2.8
159.02887	3.2
159.08076	1.1
159.11719	5.2
160.12361	1.1
161.02319	1.7
161.09651	2.1
161.13272	13.1
163.03870	6.0
165.09111	1.4
169.10124	1.5
170.10948	1.1
171.11763	1.5
173.02365	5.5
173.13271	3.1
175.14854	4.5
181.10109	1.0
185.13199	1.9
187.14850	1.8
189.16431	1.7
193.16014	1.0
197.13229	0.9
199.14835	1.1
201.16397	2.6
203.14377	8.1
203.17966	100.0
204.18317	1.1
205.15991	1.0
209.13260	0.9
213.16357	1.0
215.07065	7.7
216.07443	1.3
221.15436	5.2
221.18993	5.5
227.18018	1.1
231.04970	1.4
233.19078	1.0
259.09668	13.0
260.10007	3.7
277.10791	7.4
311.19907	1.6
329.21082	1.6
367.53745	0.9
433.22070	1.6
451.23355	1.0
469.23871	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	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.9
57.03437	1.7
57.07083	28.9
59.04998	3.3
65.03935	2.5
67.05511	84.6
69.06741	1.1
69.07052	7.2
71.04982	2.5
71.08637	19.9
71.25774	1.6
71.26108	1.2
73.65643	1.2
74.88243	1.2
79.05500	2.4
79.09538	1.0
81.07060	22.2
83.08630	13.7
85.06555	3.4
85.10178	12.3
91.05480	4.0
93.07050	2.2
95.08618	23.6
97.10183	4.2
98.21564	1.0
107.08590	3.1
109.10165	63.9
111.08081	2.9
119.08596	3.9
123.11702	2.5
125.13276	2.0
137.09666	2.7
137.13283	2.3
155.10684	4.0
173.11749	19.0
184.36566	1.0
201.92416	1.2
239.23747	7.7
288.22375	1.2
339.75946	1.1
393.34912	1.1
446.57468	1.3
467.37347	100.0
468.37445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80663	1.1
55.05520	10.6
57.03451	2.3
57.07086	34.3
59.05006	2.8
65.03941	1.7
65.90505	1.1
67.05511	98.7
69.07074	6.8
71.04999	2.3
71.08636	24.5
71.52836	1.3
79.05493	2.4
81.07069	23.1
83.08630	15.9
85.06559	2.3
85.10184	11.5
91.05487	6.3
93.07051	3.3
95.04958	1.2
95.08616	23.5
97.10176	4.5
106.40005	1.1
107.08622	2.2
109.10172	69.3
111.08092	2.9
119.08620	4.6
120.67451	1.1
123.11723	4.9
133.10141	1.3
137.09616	2.8
137.13287	2.9
155.10686	4.1
173.11765	20.1
183.84718	1.3
239.23703	6.9
467.37402	100.0
468.37845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01849	0.6
55.05492	0.4
67.05472	0.9
69.03386	0.5
69.07033	0.7
70.06579	0.7
71.07663	0.7
77.03912	0.3
77.13197	0.3
79.05516	1.7
80.04988	0.7
81.03362	0.4
81.05769	0.7
81.07032	0.8
82.06600	1.9
86.09663	0.3
90.33485	0.3
91.05482	2.4
93.07045	5.6
94.06571	6.3
95.04925	0.9
95.07347	6.8
95.08582	0.7
96.08136	14.5
97.06544	2.2
103.05421	1.2
106.06525	0.8
107.08566	0.5
108.04428	1.1
108.07452	0.5
108.08125	6.6
108.08845	0.4
109.08877	1.0
110.09688	25.7
111.08157	0.3
118.06514	0.5
120.08114	16.9
122.06007	0.6
123.06768	1.1
133.15483	0.3
134.05974	0.9
135.41681	0.4
136.07596	1.9
138.09145	25.3
140.07117	0.4
146.06027	0.7
148.07588	3.8
154.08582	0.6
159.11562	0.3
161.07089	2.6
163.03877	0.3
166.08646	35.7
168.06561	0.5
173.02275	0.4
176.06996	0.5
184.07683	0.3
187.08630	0.7
190.06042	0.3
198.09111	0.4
199.08594	1.0
201.10207	3.6
212.10693	0.6
215.08215	0.5
215.11769	1.7
225.10226	0.7
226.10928	0.4
227.08145	0.5
227.11690	0.5
229.09715	2.0
229.13321	0.9
239.11804	0.7
241.09705	1.0
241.13235	0.7
242.10362	0.6
243.11269	1.3
247.10736	0.3
247.14488	0.9
255.11284	1.7
257.12836	3.0
259.09616	1.5
267.11240	0.7
269.12878	0.7
275.13876	4.4
285.12350	4.7
297.12265	1.5
299.13809	0.7
303.13397	100.0
304.13818	1.2
315.13394	6.6
422.20758	0.4
450.20499	0.7
468.21350	25.4
469.21603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66020	0.3
53.03947	1.3
55.01879	1.7
55.05505	1.3
57.03441	3.6
57.07077	1.5
60.08151	0.4
61.02937	2.5
62.42696	0.3
67.05508	3.6
69.03433	7.1
69.07069	3.1
70.54887	1.1
71.01366	0.7
71.04984	0.8
73.02924	11.2
74.81161	0.3
79.05069	0.7
79.05502	8.8
80.05827	0.4
81.03422	2.5
81.07060	100.0
83.04988	0.8
85.02909	17.3
86.09711	1.2
86.79494	0.3
87.04481	0.7
91.03966	0.7
91.05531	0.7
93.07051	1.2
95.04964	0.4
95.08614	15.3
97.02895	12.7
97.06538	0.3
99.04477	0.8
100.80059	0.3
103.03942	1.0
105.07030	0.5
107.08607	0.6
109.02888	1.9
109.10175	1.7
111.08076	0.4
115.03938	6.7
119.08600	0.7
121.10159	0.3
123.04459	0.5
125.00005	0.5
127.03935	7.4
127.04823	0.6
133.04974	9.4
135.08119	0.5
135.11710	0.3
137.02379	0.5
137.13263	23.5
145.04967	10.3
150.07657	0.4
154.15938	0.9
157.04984	0.7
163.06020	4.9
165.06100	0.4
169.05038	0.4
169.10022	0.3
173.13388	0.3
184.07344	2.2
185.07739	0.6
186.07753	0.8
193.05028	0.5
199.06055	0.5
217.07195	0.6
220.00304	0.3
221.58052	0.3
223.06010	2.3
229.11063	0.3
241.07086	2.8
259.08157	3.7
277.09210	1.1
295.10251	2.9
301.10992	0.4
317.19839	0.4
398.54874	0.3
406.17218	0.3
406.29547	0.4
448.24020	0.4
466.19769	0.7
466.31580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01867	2.7
55.05518	12.7
57.03437	3.8
57.07082	15.6
59.04995	2.5
60.04517	1.2
61.02918	2.5
67.05515	5.4
69.03431	14.5
69.07072	62.0
69.76605	5.6
71.04997	6.1
71.08628	9.9
73.02909	1.0
73.06557	12.4
79.05470	2.2
81.03429	14.6
81.07056	4.7
82.03672	1.0
82.07366	1.0
83.04992	1.9
83.08609	4.3
85.02911	36.1
85.06538	1.4
85.10190	4.7
85.55064	1.0
87.00831	21.1
87.57076	1.0
89.06035	34.1
91.05486	4.0
93.07053	3.0
95.04951	2.1
95.08601	3.7
97.02897	22.0
97.03513	1.1
97.06557	1.5
98.20863	1.2
99.04433	5.3
105.01872	23.1
105.07033	3.8
107.08587	2.9
109.02879	12.2
109.10136	1.9
111.11726	78.8
119.08587	2.7
121.06497	1.6
121.10142	1.2
123.08086	2.3
123.11690	1.2
127.03926	24.7
129.12764	100.0
130.13091	1.2
131.08521	1.5
133.10153	2.5
135.11667	1.9
145.04970	12.1
159.02899	4.5
186.96341	1.1
188.01326	1.1
199.17009	11.8
211.59583	1.0
213.03941	1.8
217.18034	4.2
231.05058	6.3
237.14908	1.7
288.75421	1.0
303.04932	1.1
447.35416	1.5
465.28937	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45896	0.9
55.00745	1.0
55.01879	15.2
55.05516	21.5
55.60163	1.2
57.03432	9.4
57.07077	11.2
60.59290	1.1
67.05511	11.9
69.07069	27.6
71.08627	7.4
71.52513	1.3
73.02909	4.3
74.92775	1.1
77.93303	1.2
79.05479	4.2
81.07056	11.9
83.08626	24.1
85.06531	1.1
85.10182	3.2
87.24735	1.1
89.06045	1.7
91.05473	2.2
93.07058	6.5
95.08591	6.6
97.06535	13.8
97.10181	15.5
98.98474	57.9
105.07053	2.5
107.08603	4.4
109.10169	6.2
111.08047	2.1
111.11710	4.4
118.62434	1.1
119.08574	1.3
121.10141	8.6
123.11739	2.8
126.47825	1.2
129.05450	2.8
133.08626	1.3
135.11696	4.8
136.99980	3.6
137.13217	1.3
149.13272	2.2
155.01048	49.9
211.03543	1.3
219.21085	1.8
229.04733	2.6
237.22134	9.2
249.76210	1.1
255.23349	1.3
261.47031	1.2
277.21896	1.3
303.04996	1.8
311.25821	100.0
359.22986	1.1
407.90750	1.0
428.05548	1.1
447.25067	17.6
465.35858	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	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
54.34183	0.4
55.01880	0.8
55.05516	30.9
57.03442	1.8
57.07081	12.6
59.05007	3.3
61.87005	0.3
65.03943	2.1
66.37132	0.3
67.05509	81.3
69.07075	31.6
69.75213	1.8
69.95578	0.3
70.59544	0.3
71.04996	2.4
71.08636	7.7
74.54717	0.4
74.58270	0.3
79.05501	1.7
81.07062	13.1
83.08624	32.0
85.06557	2.1
85.10188	3.0
91.05490	5.1
93.07053	3.4
95.08617	6.1
97.10177	21.5
98.21014	1.1
105.07024	0.5
105.94981	0.4
107.08572	1.9
109.06479	0.6
109.10163	64.6
111.08095	2.5
111.11728	8.4
117.07037	0.5
119.08572	4.1
121.10171	0.6
125.09640	0.5
125.13290	2.6
137.09624	2.9
140.12053	0.3
144.24399	0.4
155.10681	5.0
173.11749	26.7
182.06900	0.4
227.27943	0.4
229.14470	0.5
237.22244	2.3
381.26178	0.4
385.29169	0.4
465.35809	100.0
466.35968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01875	5.4
55.05510	6.0
57.03430	3.7
60.04514	0.9
61.02932	4.8
61.24226	1.0
61.50997	0.9
65.03951	1.0
67.05506	11.3
68.99797	1.7
69.03434	29.6
69.07066	4.1
70.11623	1.0
70.11996	4.1
71.04995	5.7
73.02905	3.8
78.81115	1.0
79.05495	5.5
81.03423	16.2
81.07060	44.5
83.04984	2.0
83.08620	7.8
85.02911	71.6
85.06551	2.0
86.09712	1.3
87.00834	28.4
91.03950	1.2
91.05489	8.4
93.07059	6.7
95.04958	1.0
95.08618	8.4
97.02303	1.5
97.02898	25.0
97.06520	2.1
99.04460	9.2
99.08081	1.2
101.02384	1.4
105.01871	44.4
105.07039	21.8
107.08578	6.8
108.04494	1.3
109.02888	27.3
109.06513	2.4
109.10136	1.1
113.06064	1.0
117.01841	1.2
119.08579	10.9
120.08112	1.8
121.10154	20.1
123.11713	100.0
125.09640	1.5
126.05556	1.1
127.03927	42.2
127.07537	1.2
129.01834	2.8
137.13223	5.6
145.04956	18.0
147.11699	65.2
159.02917	6.9
163.11154	1.0
165.12762	100.0
177.04057	1.0
183.13829	40.7
189.03990	2.1
201.14879	9.5
213.03967	5.7
231.05019	14.0
249.06093	7.8
273.14594	1.3
291.15958	1.0
300.97928	1.1
361.99295	0.9
395.16925	1.6
413.18033	1.1
465.83264	3.3
466.31799	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.8
53.03948	19.3
54.52589	1.6
55.01878	17.7
55.05509	19.9
57.03440	11.0
57.07065	4.0
61.02924	4.7
65.03938	5.6
67.05511	58.4
68.99796	16.9
69.03429	42.8
69.06719	2.9
69.07071	19.9
69.31269	7.8
69.31696	8.0
71.01365	4.0
71.05003	18.6
73.02892	2.7
79.05496	64.1
81.03419	100.0
81.07064	50.6
83.04974	10.9
83.08613	6.4
85.02909	96.7
85.06536	5.5
87.00402	1.7
87.00842	14.8
91.05486	81.0
93.07046	59.5
95.04967	37.2
95.08614	42.5
97.02906	24.1
97.06527	10.8
97.10172	3.3
98.21561	4.3
99.04465	18.5
101.02411	2.3
103.03944	4.3
103.05479	7.6
105.01852	3.3
105.03412	2.7
105.04490	2.9
105.07029	53.0
107.04964	29.7
107.08595	29.2
107.17847	1.7
109.02885	85.9
109.06522	11.1
109.10162	20.0
111.00795	2.4
111.04441	8.9
111.08105	3.4
113.02257	2.4
114.55093	1.7
115.05455	10.9
116.06194	2.9
117.07027	30.6
119.04985	9.9
119.05745	1.6
119.08595	31.4
121.06508	32.0
121.10164	11.8
123.04433	13.9
123.08064	5.1
123.11728	3.8
125.02321	2.6
125.06023	3.5
125.09660	2.8
127.03922	66.7
128.06229	9.1
129.01813	4.8
129.07019	24.3
131.04953	5.0
131.08588	31.5
133.06506	14.2
133.10126	19.8
135.04417	3.1
135.08051	16.7
135.11714	12.7
137.05991	4.6
137.09598	4.2
139.03891	3.3
141.06981	8.1
143.08568	17.4
145.05009	5.8
145.06487	14.0
145.10112	10.1
147.04381	4.1
147.08020	15.1
147.11684	8.2
149.02339	3.6
149.05988	7.7
149.09653	4.3
149.13284	13.9
151.03885	2.9
151.07532	2.2
153.05473	3.6
155.08574	7.2
157.06503	5.6
157.10146	11.2
159.08054	6.0
159.11710	13.8
161.05972	4.3
161.09636	8.6
161.13266	4.6
163.03822	2.9
163.07565	3.9
163.11203	3.2
165.05516	6.6
165.07008	3.7
165.09196	4.9
167.08560	3.1
169.04964	2.6
169.10123	3.6
170.10828	2.5
171.02873	6.0
171.08109	7.5
171.11703	6.1
173.06047	3.1
173.09663	3.7
173.13272	5.3
175.03951	3.0
175.07480	4.2
175.11133	2.4
175.14856	7.9
177.05492	3.4
177.12726	9.0
181.06534	2.2
183.08128	4.0
185.09592	4.0
187.06071	2.5
187.07535	5.7
189.09180	2.6
193.04971	5.4
193.12256	3.3
195.13809	8.7
199.14742	3.0
213.03981	14.7
213.14836	6.3
217.15869	9.8
219.13835	2.1
223.13309	2.2
225.10921	1.9
231.04993	7.4
235.16928	32.2
247.17049	2.6
253.18053	16.9
257.15329	2.2
259.16940	7.1
271.16891	2.4
273.18567	3.0
277.17920	3.3
279.15891	2.4
279.26492	2.0
283.16992	3.7
301.18158	9.5
303.04996	2.2
303.15796	5.3
315.19547	2.2
319.19037	2.5
321.17032	3.2
325.18057	9.1
339.18073	2.8
343.18973	4.7
386.09619	2.2
421.22171	2.3
430.12268	2.2
443.76587	1.9
447.19885	5.8
465.20956	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03941	0.4
55.01868	0.6
55.05501	0.6
56.05012	0.4
57.03440	1.1
60.90002	0.2
61.02931	5.8
67.05499	0.6
68.99796	0.6
69.03433	2.4
70.06593	2.7
71.04996	0.3
71.06921	0.3
71.52036	0.3
72.08157	1.5
73.02917	1.9
76.02229	0.2
77.01412	0.2
79.05484	0.8
81.03423	4.5
81.07066	0.7
83.04990	0.2
83.08601	1.0
84.04505	0.4
84.08141	1.0
85.00661	0.2
85.02912	8.8
86.03253	0.4
86.09710	2.0
91.03958	3.1
91.05489	0.7
93.03396	0.3
93.07024	0.5
95.05009	1.1
95.36950	0.2
97.02901	3.7
97.06493	0.3
99.04422	0.8
104.05349	0.3
105.07024	0.5
107.04950	0.4
107.08576	0.2
109.02908	1.4
110.07164	0.5
111.00790	1.1
111.04409	0.6
116.07094	0.3
117.07023	0.3
119.04974	0.2
119.08607	0.5
120.08107	1.8
121.02856	1.1
121.10069	0.2
122.67702	0.2
123.04432	0.6
127.03928	1.8
129.07010	0.4
129.10251	0.6
130.04938	0.3
131.04935	0.3
131.08568	0.4
135.04318	0.2
137.02339	4.9
137.03316	0.3
139.03931	0.8
145.05002	2.1
146.05247	0.4
149.02386	0.6
153.01834	4.7
157.10123	0.5
161.06038	0.5
163.03935	1.5
165.01849	2.4
167.03416	0.3
172.08768	0.6
173.05937	0.5
175.11143	0.5
183.02863	0.8
183.04332	0.3
187.03935	0.5
191.03424	0.3
193.12254	2.4
195.02907	0.5
199.07556	0.3
199.91197	0.2
201.05469	2.2
215.90799	0.2
216.07747	0.5
216.10002	0.3
219.06453	0.4
228.04161	0.4
229.04947	4.6
237.89771	0.3
241.05115	0.3
243.06326	0.4
243.08791	6.4
243.10999	0.3
244.09567	3.8
247.06027	0.9
255.11420	0.3
257.04465	2.9
267.15918	1.6
271.10815	0.6
274.04706	0.8
285.04059	1.4
285.12784	0.3
285.17001	1.3
299.05560	0.7
302.04147	0.5
303.05005	100.0
304.05328	0.8
309.16821	0.4
313.11938	0.5
315.05042	5.0
316.05701	0.6
327.04926	0.9
327.08636	0.3
329.06393	0.3
339.05017	0.3
341.06625	0.7
345.06140	3.6
355.08353	0.3
358.03464	0.2
369.06204	2.3
378.15369	4.5
379.16431	1.2
399.07199	0.6
411.07196	0.5
429.08130	1.1
447.09491	1.5
447.14648	0.5
447.17712	0.4
465.10251	4.1
465.18121	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.137
Annotation	Keyakinol
Peak:m/z	Relative Intensity
51.35634	0.4
55.01857	0.4
55.05503	1.3
57.03418	0.7
67.05503	2.3
68.84145	0.4
69.03432	1.0
69.07066	1.0
69.53114	3.0
70.06583	0.4
79.05490	2.5
81.03423	1.7
81.07052	3.0
83.04957	0.5
84.08118	0.4
85.02904	1.8
86.09715	0.6
91.05507	2.4
93.07045	2.5
95.01331	0.5
95.04981	1.6
95.08621	1.5
97.02863	0.8
97.06537	1.3
99.08060	0.5
105.07029	1.9
107.04948	1.2
107.08570	2.5
109.06550	1.0
109.10175	1.5
117.07037	1.0
119.08584	1.5
120.08122	0.8
121.02927	0.5
121.10164	1.4
123.04305	0.5
123.08054	0.5
123.11737	0.8
127.03891	0.5
129.07007	0.9
131.08560	1.5
133.10146	0.7
135.08037	0.8
135.11661	0.7
137.05983	0.7
137.09579	0.5
143.08536	0.7
145.10118	1.3
147.11661	0.9
149.09650	0.7
157.10170	1.1
159.11723	0.5
163.07512	0.7
171.11627	0.6
173.09584	0.7
173.13226	0.5
175.11278	0.7
185.04314	0.6
199.14909	0.5
201.05319	1.2
201.16277	0.4
216.07594	11.1
217.08366	8.2
218.05479	0.4
227.05347	1.7
234.59070	0.5
247.13321	0.5
259.07996	0.7
271.04251	2.9
271.06726	0.4
288.22244	0.4
295.10321	0.7
303.04987	0.7
327.19528	0.5
355.19052	0.7
365.71796	0.4
379.13623	4.6
403.13882	0.5
421.14706	28.1
422.14780	0.7
447.23645	1.4
465.13718	100.0
466.13885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03936	0.4
53.17760	0.1
55.01865	0.4
57.03433	0.7
57.80179	0.1
61.02927	5.8
65.03942	0.3
67.05504	0.4
68.99792	0.7
69.03442	1.3
69.57063	0.8
70.06577	0.3
71.04977	0.3
72.08146	0.3
73.02914	1.6
75.04468	0.2
81.02989	0.2
81.03426	2.0
81.94283	0.1
83.04990	0.1
83.08649	0.2
84.08125	0.2
85.02910	6.2
86.09686	0.5
91.03955	3.6
91.05473	0.4
93.03381	0.3
95.04980	0.8
97.02898	3.4
99.04435	0.5
101.02412	0.2
103.14643	0.1
105.07034	0.3
109.02855	0.7
111.00797	1.0
111.04439	0.3
115.03953	0.3
115.05372	0.2
120.08114	0.4
121.02878	1.0
123.04432	0.4
127.03909	1.1
129.06949	0.2
131.08580	0.2
135.04478	0.2
137.02353	4.2
137.03357	0.2
145.02916	0.2
145.04938	1.0
145.06128	0.2
147.11674	0.2
148.07597	0.4
149.02411	0.6
153.01830	3.8
161.05963	0.5
163.03920	0.7
165.01845	2.1
166.02621	0.4
168.27899	0.1
173.05972	0.4
176.07001	0.3
177.05418	0.2
183.02895	1.2
183.04376	0.3
187.03947	0.3
191.03400	0.3
193.12256	1.0
195.02852	0.4
201.05502	2.0
205.04950	0.3
207.02953	0.2
213.05325	0.2
219.06494	0.3
228.04172	0.2
229.04982	4.3
236.98700	0.2
247.06085	0.8
257.04416	3.4
258.04822	0.1
267.15866	0.6
274.04742	1.0
275.05426	0.2
285.03946	1.3
285.17004	0.8
299.05496	0.5
302.04233	0.4
303.04990	100.0
304.05283	0.8
315.04944	2.1
316.05728	0.3
327.04938	0.5
339.05103	0.2
341.06564	0.2
345.05981	1.6
355.08197	0.2
369.06113	1.4
399.07120	0.2
411.07159	0.3
429.08124	0.4
447.09286	0.6
465.10257	2.2
465.18509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	0.2
55.01878	0.2
55.59108	0.2
57.03426	0.6
61.02929	6.8
65.03954	0.3
67.05500	0.3
68.99784	0.5
69.03433	1.8
69.76991	0.9
70.06584	0.7
71.04985	0.3
72.08152	0.5
73.02924	1.7
78.90960	0.1
79.05502	0.2
80.48055	0.1
81.03417	0.7
82.11682	0.1
84.08118	0.3
85.02911	6.3
86.09701	1.2
91.03956	3.6
91.05469	0.3
93.03398	0.4
95.04951	0.4
95.08617	0.2
97.02899	3.3
97.06516	0.2
99.04452	0.5
101.02400	0.2
103.05463	0.3
105.79889	0.2
109.02885	0.7
111.00814	0.9
111.04518	0.2
115.03971	0.3
120.08111	0.5
121.02885	1.0
123.04425	0.4
127.03914	1.2
131.04932	0.8
132.05284	0.4
135.04410	0.3
136.07594	0.3
137.02328	3.3
137.03300	0.3
137.05869	0.2
145.04948	0.6
145.06497	0.3
149.02390	0.4
150.91417	0.2
153.01830	4.7
161.05980	0.4
163.03909	0.7
163.07497	0.3
165.01833	2.3
173.06009	0.5
173.12891	0.2
177.05302	0.2
179.03375	0.2
180.57813	0.2
183.02885	0.9
183.04431	0.4
187.03891	0.5
188.07071	0.5
195.02945	0.3
201.05424	1.9
206.08099	0.3
207.02890	0.2
215.08083	0.2
219.02725	0.2
228.04251	0.3
229.04970	5.1
233.09215	0.4
245.23598	0.2
247.05995	0.8
255.07700	0.6
257.04449	3.4
274.04752	0.7
285.03983	1.7
285.12427	0.3
303.04999	100.0
304.05264	1.1
331.12778	0.2
343.13052	0.2
345.06201	0.2
465.18695	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	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01862	3.9
55.05505	9.1
57.03428	7.1
61.02919	5.4
67.05509	14.9
69.03426	4.5
69.07060	6.4
71.04978	4.7
71.52927	3.2
79.05498	17.2
80.05862	1.8
81.03419	100.0
81.07047	15.4
83.04961	6.4
83.08624	25.1
85.02895	7.7
91.03971	3.4
91.05071	1.9
91.05492	20.1
93.07032	8.3
94.35770	2.1
95.04978	28.6
95.08602	7.0
97.02901	6.0
97.06524	8.6
97.10192	3.2
97.20678	2.1
105.07036	14.5
107.04964	10.0
107.08575	7.8
109.06524	3.7
109.10119	4.7
111.04460	3.3
111.08082	12.4
119.08591	10.3
121.06502	4.3
121.10123	6.9
123.08083	2.7
127.03883	2.9
129.07007	8.6
131.08607	9.9
133.06474	3.6
133.10136	4.6
135.11720	2.5
137.09622	4.0
142.07745	3.2
143.08621	3.2
145.06404	2.0
145.10054	3.1
147.08026	6.3
147.11635	9.5
149.02281	2.3
149.09604	6.3
157.10158	10.8
165.09105	2.5
165.12764	2.4
166.07903	2.4
175.11201	14.4
181.10133	5.5
181.11685	1.8
182.56541	2.0
193.10457	4.5
193.12245	83.3
211.13269	8.7
235.13297	3.0
259.13239	2.2
267.13055	3.2
267.15918	61.3
285.16959	64.9
288.13107	2.4
301.14240	2.2
309.16809	11.0
358.22314	1.9
363.18127	3.1
375.17636	3.6
393.19046	4.1
402.23553	2.1
429.21423	4.1
446.26044	3.7
464.17188	3.7
464.28516	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	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95872	1.9
53.40671	1.8
55.01896	2.1
55.05505	7.6
57.03442	4.7
61.02935	5.0
64.94765	2.0
67.05508	17.4
69.03416	5.9
69.07069	7.8
69.28772	18.2
71.05009	5.0
73.02907	4.2
79.05506	16.2
79.79311	1.9
81.03423	100.0
81.07064	21.1
83.04989	6.7
83.08618	23.8
85.02916	9.6
85.06545	6.3
91.05491	20.5
93.07052	13.0
95.04978	32.8
95.08607	8.2
97.02895	6.1
97.06532	2.6
105.07054	16.6
107.04955	12.8
107.08617	11.2
109.02946	4.5
109.06529	3.9
109.10170	7.2
111.04491	2.3
111.08094	12.1
113.96592	2.2
115.07607	2.5
117.07104	2.6
119.08587	12.9
121.06522	4.5
121.10172	10.3
123.04400	2.4
123.08073	2.7
129.07004	10.4
131.08600	11.8
133.06509	4.1
133.10101	10.1
134.10590	2.3
135.08061	3.2
137.09691	4.4
142.07825	3.2
145.10136	4.6
147.08043	6.0
147.11705	11.4
149.09659	5.8
157.10147	12.0
159.11659	3.8
169.10158	2.1
175.11172	16.5
181.10152	9.2
183.11801	2.6
193.12268	92.1
211.13301	6.9
235.13210	2.4
259.13287	3.4
267.15924	51.4
285.16974	82.7
301.14493	2.9
309.16919	9.8
341.40372	2.2
363.18048	2.2
382.28323	4.5
400.29391	4.7
428.28928	5.0
429.30127	12.0
432.24518	2.9
446.25443	3.0
464.27536	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	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	0.3
53.53494	0.2
55.01876	0.2
55.05508	0.4
57.03426	0.6
61.02933	6.8
67.05498	0.2
68.99796	0.6
69.03427	1.3
69.07047	0.2
70.06609	1.1
71.04990	0.2
71.52297	0.2
72.08164	1.0
73.02930	1.5
77.67191	0.2
79.05488	0.2
81.03414	1.0
81.07066	0.4
83.04988	0.2
84.04497	0.6
84.08136	0.8
85.02917	6.1
86.09721	2.9
87.04465	0.2
87.43412	0.2
91.03959	3.0
91.05463	0.5
93.03416	0.4
93.07038	0.3
95.04955	0.4
95.08554	0.2
97.02905	3.7
99.04470	0.7
105.07037	0.3
109.02911	1.0
111.00821	1.1
111.04414	0.2
115.03917	0.2
120.08127	3.0
121.02850	1.1
123.04381	0.3
127.03943	1.1
130.05019	0.2
130.06535	0.2
135.04399	0.2
136.07603	0.3
137.01367	0.3
137.02353	3.6
137.03383	0.2
139.03920	0.3
145.05008	1.0
148.07535	0.2
149.02362	0.5
149.08371	0.2
149.09581	0.2
153.01837	4.5
155.04936	0.3
161.05978	0.2
163.03889	1.3
165.01863	2.1
166.02635	0.4
173.05956	0.4
174.35976	0.2
177.05646	0.2
183.02925	0.9
183.04396	0.4
187.03978	0.4
195.02866	0.3
201.05501	1.8
205.05238	0.3
211.03821	0.3
215.13960	0.2
219.03134	0.2
219.06587	0.2
223.10747	0.3
229.04980	4.4
239.03508	0.2
247.06021	0.8
257.04468	2.8
267.15976	0.2
274.04773	0.6
275.05502	0.3
285.03949	1.1
285.12341	0.4
299.05707	0.3
303.05014	100.0
304.05380	1.0
315.04935	0.9
327.04950	0.2
345.06155	0.7
350.16138	0.3
369.06268	0.3
447.09326	0.2
447.18182	0.2
465.10742	0.7
466.17090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.30223	1.0
55.05315	0.9
55.05518	10.5
57.07082	34.8
62.86103	1.5
64.00498	1.1
65.31599	1.0
66.96275	1.0
67.05505	6.1
68.67763	1.1
69.07073	26.6
69.26104	3.6
69.26524	7.5
71.08640	24.2
79.05480	3.3
81.07060	17.1
83.08620	14.8
85.10191	15.0
88.52866	1.0
91.05491	3.3
93.07034	9.3
95.04997	1.6
95.08616	14.5
97.02935	2.2
97.06528	3.1
97.10183	10.1
99.04468	4.9
103.84500	1.1
105.07030	4.9
107.08607	6.7
109.06535	11.1
109.10160	8.5
111.08109	2.5
111.11742	5.8
113.13308	1.2
119.08584	3.6
121.06539	1.7
121.10168	4.7
123.08055	11.2
123.11812	2.4
125.06005	14.9
125.09621	1.6
127.07568	44.4
131.08626	2.1
133.10129	2.6
135.08073	3.7
135.11719	1.2
137.05984	4.7
137.09595	3.3
137.13243	1.1
139.07547	100.0
145.10114	1.4
147.11707	1.9
149.05998	4.3
149.09636	3.2
151.07541	6.7
151.11186	1.8
153.09178	1.3
159.11659	1.4
161.13234	2.2
163.07567	3.1
165.09097	3.3
167.07039	4.7
173.13277	1.3
177.09100	13.9
179.06982	1.7
179.10616	1.8
189.12856	1.4
195.10204	1.5
199.90611	1.2
207.14032	1.4
207.73305	1.1
249.14964	1.9
272.82083	1.1
301.28964	4.5
319.29987	8.7
347.33075	17.1
373.30975	5.1
399.36063	2.2
403.35663	1.9
417.37329	17.6
427.35626	3.4
445.36804	59.9
463.37875	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05513	11.2
57.07083	32.7
67.05502	6.2
69.07079	27.2
69.31041	14.6
70.59379	1.6
71.08637	27.4
74.22042	1.6
75.65201	1.8
79.05498	5.2
81.07073	18.5
83.08624	15.5
85.10197	13.6
90.16222	1.7
91.05475	2.2
93.07040	5.1
95.05042	1.8
95.08605	14.4
97.06521	2.3
97.10172	11.9
99.04443	4.9
105.07038	5.2
107.08600	6.6
109.06533	14.3
109.10162	8.1
111.08120	2.2
111.11754	5.5
119.08572	6.0
121.10155	2.9
123.08070	10.7
123.11739	3.9
125.05995	15.4
127.07560	39.1
133.10175	3.9
137.06004	5.1
137.09660	4.9
139.07559	100.0
145.10159	2.3
146.94762	2.1
147.11682	4.0
149.05978	3.7
149.09645	4.3
151.07545	8.6
153.09117	3.4
159.11775	2.1
163.07597	2.4
165.09175	3.6
167.07083	5.0
169.08582	1.9
175.11182	2.9
175.14861	2.4
177.09134	16.3
179.10760	2.0
189.12695	2.4
196.94574	1.8
207.13731	2.6
301.28799	3.7
319.29834	8.6
347.33179	15.7
373.30991	4.7
375.36359	2.2
403.35687	2.7
417.37317	17.9
427.35620	4.0
445.36829	63.2
463.37881	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.59373	5.5
55.05517	56.2
57.07083	67.7
67.05491	14.5
69.07070	100.0
69.52060	14.6
69.52451	40.5
71.08637	51.3
79.05482	19.8
81.07061	51.0
83.08633	55.5
85.10175	21.0
85.96876	6.4
91.05485	18.3
93.07033	32.7
95.08609	37.0
97.10153	45.0
99.49541	6.8
105.07038	33.4
105.15987	5.9
107.08594	48.4
109.06516	29.9
109.10156	27.8
109.44774	6.4
111.08073	16.7
111.11709	22.2
119.08562	39.5
121.06473	8.8
121.10149	23.4
123.08082	25.0
123.11710	13.7
125.05994	8.8
125.09610	11.4
125.13283	8.3
126.06572	6.2
130.38684	7.0
131.08549	11.7
133.10126	26.5
135.08041	36.6
135.11705	25.8
137.05942	8.0
137.09599	14.4
139.07550	12.4
145.10115	12.7
147.08086	8.5
147.11664	21.5
149.09595	11.4
149.13293	15.7
151.07513	22.0
157.10101	9.1
159.11702	13.7
161.13260	30.8
163.11177	7.2
165.09128	10.5
167.07066	16.2
175.07455	9.9
175.11316	8.4
177.09096	13.9
181.08594	19.4
189.12730	11.9
191.14322	9.5
198.66379	6.6
203.10799	7.1
203.14345	11.0
221.11765	10.2
231.13745	10.5
235.13318	8.3
249.14955	6.7
263.16367	8.7
279.19424	7.1
305.21207	11.7
307.29971	8.5
319.22540	17.1
333.24176	13.3
347.25745	10.3
357.35184	44.3
375.36304	15.8
385.34680	8.2
389.30530	11.7
399.36243	34.8
417.37140	19.8
427.35699	28.0
445.36859	98.1
447.63699	8.4
463.37921	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	463.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85678	0.6
53.03942	2.5
55.01884	4.2
55.05519	7.9
57.03450	3.8
59.05001	1.3
61.02911	0.6
65.03939	1.8
67.05511	16.5
69.03425	2.5
69.07076	9.4
71.04999	6.7
71.52707	0.7
72.08166	0.6
73.06544	0.6
77.03884	0.8
79.05499	18.3
81.03424	5.7
81.07068	18.9
83.04981	3.3
83.08624	4.8
84.08148	0.9
85.02917	3.2
85.06553	3.5
86.09698	1.1
90.02050	0.5
91.05488	14.3
93.07051	22.8
95.04976	8.5
95.08615	10.2
97.02882	1.7
97.06533	8.4
97.10180	6.1
99.04476	0.7
99.08102	1.5
103.05482	1.2
105.04488	0.9
105.07046	8.7
107.04967	29.5
107.08593	7.2
109.06522	4.7
109.10149	6.0
111.04438	1.5
111.08116	3.1
111.11781	0.6
113.06013	0.6
115.05459	1.4
117.07024	5.6
119.05022	0.8
119.08587	7.6
120.08135	0.7
121.02853	0.9
121.06509	8.0
121.10149	9.7
123.04427	1.4
123.08062	2.1
123.11717	2.5
125.06000	1.7
125.09660	4.7
127.03944	0.9
128.06223	1.5
129.06995	4.7
131.04903	2.0
131.08574	7.3
133.06497	2.8
133.10127	3.8
135.04419	0.8
135.08073	4.1
135.11728	4.2
136.06221	1.0
137.05977	1.2
137.09665	2.8
139.07559	1.8
139.11171	1.7
141.06989	2.3
142.07788	1.1
143.07040	1.6
143.08588	3.3
145.06459	3.6
145.10120	4.5
146.10506	0.6
147.04475	0.8
147.08052	8.5
147.11702	2.4
149.06013	0.6
149.09662	4.0
149.13210	0.9
151.07585	0.9
151.11176	1.5
153.09117	1.2
155.08582	2.2
157.06467	1.3
157.10091	2.8
159.08075	2.5
159.11719	2.6
161.06009	1.3
161.09641	3.2
161.13275	0.7
163.07570	1.4
163.11212	4.0
165.07031	0.7
165.09148	2.6
167.03418	2.9
167.07063	0.6
167.08582	1.2
167.10681	3.5
168.43887	0.7
169.10159	1.9
171.08081	0.9
171.10252	0.9
171.11658	1.8
173.09639	3.2
173.13263	1.1
175.07541	1.6
175.11223	1.5
177.09116	4.0
179.10690	0.9
181.10077	1.4
183.08078	0.8
183.11719	1.4
185.09621	2.2
185.13231	1.8
187.11269	2.9
189.09175	1.6
189.11174	1.8
189.12677	0.7
191.10672	8.2
191.14276	0.8
193.08566	0.7
193.10342	0.5
193.12236	1.4
195.08044	0.7
195.11723	1.1
197.09659	1.5
197.13225	1.1
199.11227	1.7
199.13313	4.7
201.09033	1.0
201.12793	1.0
203.10664	1.2
205.08681	0.8
205.12263	1.5
207.11615	0.7
209.09616	1.0
209.13461	0.8
211.11163	1.0
213.12723	1.2
215.07007	0.7
215.14339	1.0
217.14314	1.2
219.13866	2.4
221.11778	1.5
225.12892	0.7
227.10683	2.1
227.12648	0.8
237.12585	0.7
241.12280	1.0
243.13789	0.6
247.13206	1.4
249.14890	1.1
255.13641	0.6
258.05292	8.9
259.13284	1.3
267.15979	0.8
273.14832	0.9
273.17105	6.6
275.16443	1.1
283.13568	0.7
286.04816	5.2
287.12738	1.2
301.07089	100.0
301.14392	2.2
302.07413	1.9
303.17511	0.7
311.20047	2.7
317.06616	8.9
321.18481	4.3
329.21033	1.7
339.19617	12.5
347.14850	0.8
351.25140	0.8
357.20572	9.3
371.22232	1.3
375.21652	2.0
381.27884	0.6
389.23291	1.4
399.29266	0.8
413.23431	2.7
427.28394	1.2
431.24338	28.0
445.25897	1.9
463.12366	25.3
463.27057	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	463.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01853	5.8
55.05508	19.9
57.03455	10.1
57.03683	1.9
59.07683	1.9
60.36999	1.8
65.03939	4.4
67.05507	54.7
69.03405	3.1
69.07078	19.1
71.04999	3.0
71.52441	2.3
79.05080	3.9
79.05499	48.0
81.03421	100.0
81.07058	42.4
83.04977	10.5
83.08614	8.3
85.02909	2.6
85.06528	3.4
91.05485	62.2
93.07049	46.3
95.04975	15.3
95.08612	56.9
97.02897	7.0
97.06527	7.1
97.10149	5.1
99.08087	2.7
105.07021	32.9
107.04945	8.4
107.08580	15.3
109.06521	7.0
109.10181	14.9
111.08087	2.6
115.05434	2.8
117.07008	12.0
119.08589	28.8
121.06493	6.1
121.10150	10.8
123.08064	7.1
123.11657	2.7
125.09665	4.9
128.06206	3.6
129.07024	13.4
131.08542	11.7
132.08937	2.0
133.06482	3.4
133.10138	13.1
135.08040	3.0
135.11682	5.4
137.09622	14.5
141.06985	4.2
143.08533	7.5
145.06448	3.0
145.10112	9.1
147.08035	8.0
147.11707	15.3
149.09604	3.8
149.13229	2.5
151.11165	4.6
157.10153	4.5
159.07948	2.2
159.11707	4.9
161.09579	4.5
161.13258	7.8
163.11177	2.3
165.09140	15.5
169.10176	3.5
171.11696	12.9
173.13359	2.7
175.11183	2.2
183.11679	2.8
185.13293	3.1
188.67424	2.4
189.12695	6.2
193.12352	3.7
195.11852	2.9
197.13208	2.6
207.13820	10.9
213.12889	2.7
227.12823	5.2
239.12807	36.8
249.14813	5.3
267.15820	2.7
277.21661	2.8
281.17560	20.3
287.05417	2.3
301.07043	3.7
305.17358	3.6
351.25137	6.2
353.20990	3.6
371.25562	3.2
445.25583	70.2
463.26056	10.6
463.30231	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	463.1239
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
52.67545	0.2
53.57478	0.1
55.01866	0.2
55.05517	0.2
57.03426	0.6
61.02930	5.7
65.03947	0.2
67.05502	0.4
69.03429	0.9
69.07079	0.3
69.98157	0.4
69.98560	0.5
71.04976	0.1
73.02915	1.5
79.05492	0.4
81.03410	0.5
81.07040	0.4
85.02910	4.7
85.06529	0.2
91.03955	2.9
91.05499	0.3
93.07037	0.3
95.04958	0.3
95.08577	0.2
97.02892	2.9
97.06511	0.3
98.20767	0.2
99.04472	0.3
102.89043	0.1
105.03387	0.2
105.07050	0.3
105.54898	0.1
107.04935	1.0
109.02885	0.2
109.10175	0.3
115.03952	0.2
119.08541	0.2
121.02888	1.9
121.10160	0.2
122.31432	0.1
123.04433	0.4
124.01581	0.5
125.02340	0.4
125.09644	0.2
127.03915	0.7
133.02876	0.2
135.04472	0.2
135.11752	0.2
141.05389	0.2
145.04964	0.3
145.10091	0.2
147.04436	0.3
151.03917	0.6
167.03423	2.6
175.04007	0.1
179.03401	1.1
184.05257	0.2
197.04436	0.4
197.06067	0.2
199.07533	0.3
212.04720	0.4
217.08696	0.2
227.06960	0.9
241.04845	0.2
245.08067	0.4
255.06528	0.5
257.04471	0.6
258.05255	5.3
272.06863	0.5
273.07462	0.3
283.06140	0.2
286.04724	4.0
301.07074	100.0
302.07446	1.4
307.23245	0.2
360.24869	0.2
427.28522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01855	3.3
55.05516	18.1
57.03421	8.4
57.07057	1.9
67.05505	44.1
69.03425	3.0
69.07061	10.9
70.19268	8.4
71.04997	3.2
71.08639	28.0
73.57021	2.2
79.05492	45.2
81.03408	8.0
81.07059	50.9
83.04974	8.8
83.08620	11.8
84.75708	2.0
85.06544	4.3
91.05485	29.6
93.06489	3.3
93.07047	47.8
95.04953	9.3
95.08608	28.5
97.06509	7.3
97.10139	4.8
99.08109	20.7
105.07011	18.8
107.04932	6.1
107.08599	21.4
109.06574	2.9
109.10155	14.6
111.08100	3.6
113.00020	24.8
113.09692	2.9
117.07043	7.5
119.08586	16.1
121.06440	3.7
121.10145	20.2
123.08084	3.5
123.11684	3.1
129.06960	2.1
131.08557	9.3
133.10150	14.8
135.11711	23.8
135.17397	2.2
137.09689	2.9
139.11252	2.3
145.10117	8.4
147.08011	2.6
147.11665	4.5
149.09581	2.2
149.13289	11.6
149.85909	2.3
151.11250	12.4
157.10194	3.0
159.11719	6.3
161.13252	12.2
163.11101	10.4
169.02594	11.2
171.11682	3.1
173.13237	2.4
177.12825	3.0
179.14330	59.5
181.12169	2.1
193.12270	2.4
193.14384	2.1
195.13757	3.0
227.12622	4.6
241.19521	2.6
277.21652	41.1
287.05527	2.6
351.25305	100.0
353.24814	2.5
371.25891	3.3
389.26877	2.4
413.24945	2.3
445.29214	7.1
463.30252	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	463.1239
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03950	0.1
53.98729	0.1
55.01868	0.3
57.03430	0.6
61.02929	4.9
65.21997	0.1
67.01855	0.1
67.05520	0.3
69.03437	1.1
69.07062	0.3
70.71209	0.3
71.04974	0.1
73.02922	1.4
79.05499	0.2
81.03407	0.5
81.07052	0.3
85.02913	4.9
86.09723	0.2
87.04478	0.1
91.03959	2.6
91.05515	0.2
93.07055	0.3
95.04947	0.3
95.08613	0.3
97.02301	0.2
97.02898	2.6
97.06549	0.2
99.04465	0.3
105.03361	0.2
105.07049	0.2
107.04972	1.0
107.08579	0.3
109.02881	0.3
109.10165	0.3
115.03888	0.2
120.08123	0.3
121.02870	2.3
121.10154	0.2
123.04436	0.2
124.01569	0.4
125.02376	0.3
127.03917	1.1
127.11263	0.2
133.02892	0.2
141.05524	0.3
143.08620	0.2
145.04933	0.6
145.10143	0.1
147.04427	0.3
151.03912	0.7
167.03409	2.5
175.07588	0.3
179.03412	1.3
184.05196	0.2
197.04463	0.5
199.07509	0.3
203.03648	0.1
212.04689	0.5
227.07062	1.0
241.57352	0.1
245.08183	0.6
255.06610	0.4
256.54739	0.1
257.04523	0.7
258.05255	5.8
272.06747	0.6
273.07556	0.4
283.06039	0.3
285.04062	0.3
286.01559	0.3
286.04733	5.4
300.06079	0.2
301.07077	100.0
302.07394	1.4
313.07053	0.7
317.06274	0.2
343.08084	0.7
367.08090	0.3
409.27118	0.1
427.10532	0.2
445.30063	0.2
463.12418	1.1
463.29535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01867	1.8
55.05516	14.9
55.77113	0.7
56.96563	1.2
57.03440	4.6
57.03673	0.8
57.07065	2.4
59.04994	2.3
61.02914	1.3
65.03938	2.6
67.05511	71.6
69.03438	1.6
69.07072	8.8
69.74724	4.4
71.04994	3.2
71.08602	0.9
73.02920	0.9
79.05502	33.4
81.03412	3.2
81.07063	32.8
83.05005	1.9
83.08627	9.7
85.02895	2.0
85.06571	2.5
91.05489	24.9
93.07051	33.1
95.04977	3.5
95.08614	16.9
97.02891	1.7
97.06548	1.9
97.10182	2.3
98.21587	1.0
98.97590	1.2
99.08112	1.4
103.05401	0.8
105.07038	16.2
107.08606	12.5
109.06526	2.1
109.10166	45.6
110.47704	0.9
111.08108	2.4
117.07038	8.2
119.08591	21.2
119.86781	0.8
121.06519	1.0
121.10153	21.5
123.08101	0.9
123.11747	1.8
125.09657	3.0
129.06992	4.4
131.08582	13.1
133.10139	11.5
135.08110	1.3
135.11694	6.1
137.09615	2.0
141.07002	1.4
142.07835	1.0
143.08577	4.2
145.10123	12.1
147.11702	8.0
149.09615	1.5
149.13307	1.7
152.12634	0.8
155.08563	1.1
155.10681	1.9
157.10156	5.0
159.11711	9.5
161.09651	1.1
161.13292	3.4
165.12787	1.0
167.08676	0.9
169.10147	3.1
171.11690	5.9
173.11780	13.9
173.13321	5.7
175.11227	1.3
175.14897	2.0
177.12881	1.5
181.10089	1.0
183.11694	4.3
185.13313	3.2
187.14871	2.3
189.11137	1.1
195.11687	0.9
197.13242	2.1
199.14894	2.9
211.14792	1.4
213.16472	2.3
215.17966	4.3
225.16461	1.0
227.18016	1.5
229.14412	3.4
231.17508	1.5
233.15530	1.1
233.19077	1.3
237.16182	1.0
239.18057	1.8
241.07323	1.9
241.19800	0.9
245.19151	1.0
253.19522	0.9
257.19019	1.3
259.08585	2.7
266.44617	0.9
267.09088	1.7
271.20682	1.8
273.49142	0.8
285.10236	2.9
289.21613	1.5
303.11050	0.8
311.10791	2.2
313.27463	1.3
315.11044	2.5
324.11658	2.7
338.16650	1.1
349.23822	1.5
351.26776	6.5
363.25476	2.8
369.27994	12.6
387.28961	1.8
418.50140	0.9
443.22839	2.0
443.31750	8.3
443.73163	1.0
452.23416	1.4
458.89511	0.9
461.32773	100.0
462.32901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87946	0.3
67.05484	0.5
67.72108	0.3
68.99792	0.4
69.38309	0.9
69.38729	1.4
97.02879	0.3
99.00716	0.4
116.76028	0.3
119.04909	0.6
121.02853	1.7
127.00268	0.4
168.00543	8.4
186.01595	2.2
258.05270	0.8
263.78619	0.3
286.04721	65.6
287.05209	0.8
301.07065	100.0
302.07452	1.3
463.11954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03949	0.2
55.01854	0.2
55.05498	0.3
56.96535	0.2
57.03417	0.6
57.07081	0.2
61.02926	5.2
65.03940	0.2
67.05475	0.7
69.03419	0.9
69.07042	0.4
70.56657	0.3
70.56987	0.4
71.04979	0.2
73.02924	1.3
79.05470	0.7
81.03409	0.7
81.07082	0.9
85.02908	4.4
85.06542	0.4
91.03952	2.9
91.05472	0.6
93.07027	0.5
95.04945	0.6
95.08598	0.5
95.92101	0.2
97.02888	2.7
97.06514	0.4
99.04462	0.4
101.02398	0.2
105.03337	0.2
105.07022	0.5
107.04957	1.5
107.08590	0.3
109.02853	0.3
109.10140	0.6
119.08578	0.3
121.02847	2.1
121.10127	0.3
123.04435	0.3
123.11682	0.3
124.01552	0.3
125.02370	0.4
127.03923	0.7
131.08588	0.3
133.02878	0.3
134.03619	0.3
135.11673	0.2
139.11176	0.3
145.04958	0.5
145.10121	0.2
145.13872	0.2
147.04372	0.2
147.11700	0.3
151.03938	0.5
153.05322	0.2
157.09943	0.2
167.03421	2.3
174.55832	0.2
175.07674	0.2
179.03397	1.0
184.05283	0.2
197.04425	0.5
199.07565	0.5
212.04707	0.3
227.07018	0.8
228.05754	0.2
241.07347	0.2
245.08060	0.5
255.06546	0.4
257.04477	0.6
258.05243	5.6
259.08640	0.5
267.09027	0.5
272.06784	0.7
273.07492	0.5
285.10159	0.4
286.04712	4.0
287.12799	0.2
301.07059	100.0
302.07355	1.2
313.06912	0.4
343.07730	0.2
377.20642	0.2
381.27850	0.2
399.29095	0.2
419.21603	0.6
427.28253	0.4
432.18472	0.2
463.13336	0.2
463.20444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2903
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03939	8.0
55.01867	9.5
55.05516	31.6
57.03442	12.2
59.05009	1.9
64.70126	1.8
65.03955	2.2
67.05509	75.3
69.03444	5.4
69.07079	25.0
69.52740	9.7
69.53158	4.9
71.05009	3.5
75.24556	2.0
78.11130	2.2
79.05499	67.6
81.03415	9.7
81.07066	64.0
83.04973	9.1
83.08617	19.1
85.06527	6.6
91.05486	83.2
93.07052	57.2
95.04978	13.7
95.08614	34.4
97.06524	10.5
97.10178	7.6
99.08121	3.1
103.05470	5.7
105.04520	3.9
105.07039	56.7
105.07702	4.5
107.04965	13.4
107.08611	29.2
109.06523	7.1
109.10162	17.7
111.08100	5.3
115.05508	5.3
117.07020	47.7
119.08586	34.7
121.06483	11.1
121.10149	16.9
123.08083	5.3
125.09649	6.2
128.06241	10.7
129.07008	53.7
130.07788	2.6
131.05035	2.7
131.08563	56.0
133.06514	10.1
133.10139	22.5
135.08099	9.6
135.11697	12.2
137.09612	4.1
139.11150	3.2
141.06976	21.8
142.07800	5.6
143.08569	42.0
145.06503	14.7
145.10141	28.3
147.08081	7.5
147.11684	10.6
149.09679	7.1
149.13264	5.9
151.11099	2.8
153.07048	5.9
155.08565	34.4
157.06465	4.5
157.10155	22.6
159.08058	9.2
159.11703	15.6
161.09657	5.5
161.13275	2.7
163.11208	7.5
165.07047	5.1
167.08537	14.1
169.10159	23.5
170.10977	2.1
171.08081	7.9
171.11710	16.6
173.09616	4.6
173.13284	5.7
175.11259	6.2
175.14841	3.1
177.12740	3.9
179.08633	6.6
180.09207	2.5
181.10100	14.4
183.08081	2.2
183.11661	12.5
185.09656	4.8
185.13339	11.4
185.14711	2.4
187.11214	6.2
187.14801	5.4
189.11263	2.7
189.12790	3.9
193.10188	5.0
193.12157	4.0
195.11688	15.7
197.09628	3.3
197.13255	10.9
199.14818	7.2
201.12730	3.9
203.14438	4.2
204.50569	2.0
205.10117	1.9
205.12224	2.5
207.11697	5.9
207.13805	3.7
209.13286	10.9
211.14839	7.0
213.12877	5.2
213.14665	2.3
213.16461	3.9
215.14403	13.4
217.15945	4.6
219.11678	4.3
221.13316	8.1
223.14867	7.4
225.12703	5.1
227.14458	3.0
229.14304	4.3
233.13298	3.2
233.15479	4.1
235.14816	6.7
239.14365	7.4
241.16040	3.1
243.17502	3.6
253.15880	6.1
257.15402	6.3
271.16983	8.8
285.18518	3.1
305.22617	4.2
315.21198	2.9
323.23727	7.0
333.22189	20.8
341.24908	12.4
351.23193	54.2
369.24307	52.6
387.25339	17.6
415.28342	3.8
425.26996	11.4
433.29733	3.1
443.27988	84.8
461.29019	100.0
462.29373	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	461.2901
Annotation	Hydrocortisone caproate
Peak:m/z	Relative Intensity
53.03939	1.1
55.01880	0.9
55.05503	2.2
58.23084	0.5
67.05497	2.8
69.03420	0.9
69.07074	28.2
69.37299	2.9
69.37714	1.2
71.04967	0.7
71.08647	1.2
78.25008	0.5
79.05493	6.9
81.07061	46.4
83.04952	1.0
91.05471	2.4
93.07047	3.1
95.04978	3.6
95.08606	3.7
97.06535	7.4
97.10173	0.6
99.04411	1.2
99.08099	25.3
99.08767	1.2
105.07047	4.1
107.04947	1.6
107.08601	2.9
109.06512	1.8
109.10163	4.6
113.09665	2.6
115.07578	0.5
117.07015	1.7
119.04955	0.8
119.08561	2.9
121.06497	1.9
121.10159	1.7
123.08028	0.9
123.11691	0.7
125.09641	1.6
127.11224	1.0
128.06195	1.1
129.03754	0.6
129.07027	1.9
131.04926	1.0
131.08557	3.9
133.06453	1.0
133.10135	2.1
135.04454	3.2
135.11703	1.1
137.05965	2.0
141.06981	1.1
143.08565	4.2
144.09268	0.5
145.06502	1.2
145.10115	4.7
147.08070	2.6
147.11729	1.6
149.06000	0.5
149.09668	1.0
155.07220	0.5
155.08572	1.6
157.06520	0.7
157.10124	2.7
159.08017	3.2
159.11713	2.0
161.09657	3.3
161.13210	0.8
165.07068	0.8
165.12743	0.9
167.08545	0.9
168.09300	0.5
169.10104	2.0
171.08061	7.6
171.11659	2.2
173.09634	5.5
173.13293	3.3
175.11182	1.2
179.08562	1.4
180.09384	0.8
181.10153	1.7
183.08046	0.7
183.11749	2.8
184.08858	0.8
185.09671	3.0
185.13283	1.9
187.07590	0.9
187.11230	1.2
189.09117	10.7
189.12814	0.5
193.10139	1.9
195.08022	0.9
195.11711	1.8
197.09627	3.4
197.13307	1.5
199.11218	6.6
199.14917	0.8
200.11934	0.6
201.12708	2.6
201.16118	0.6
203.10670	1.1
207.10039	3.1
207.11320	0.6
207.11871	1.1
209.09579	0.7
209.13269	1.3
211.11148	3.3
211.14809	1.2
213.12769	2.4
215.10652	1.1
215.14293	0.7
221.09850	0.6
221.13287	1.3
222.69492	0.5
223.11209	1.7
223.14775	1.0
224.11848	0.7
225.12787	2.2
225.16292	0.7
227.14340	3.5
227.98048	0.5
229.12270	3.2
229.15944	1.5
231.13795	2.1
235.14851	1.4
237.12773	2.1
239.14360	3.2
241.12265	0.8
241.15872	1.0
245.15340	1.1
251.14308	1.7
253.15889	2.2
257.11993	0.6
257.15475	0.7
258.01022	0.7
263.14316	1.8
263.17975	1.1
267.14273	0.6
267.17447	1.3
269.15369	1.6
269.18958	1.2
279.13870	0.8
279.17514	0.7
281.15405	4.4
281.18600	1.1
282.16208	1.4
283.17059	1.2
283.20407	0.7
285.18423	0.9
291.17459	0.9
293.19113	1.2
299.16458	1.3
299.19971	1.0
309.18457	5.1
311.20029	4.6
317.17654	2.6
325.21729	3.6
327.19785	3.5
327.23160	0.8
329.21191	0.6
343.22726	1.4
345.20593	3.6
349.21695	0.9
351.19485	0.6
363.21695	2.2
365.24640	1.1
367.22711	1.3
385.23862	0.7
387.21585	0.7
389.24841	1.2
407.25809	9.2
425.26868	11.9
443.27988	29.5
444.28485	0.8
461.29001	100.0
462.29236	2.4
469.09882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01855	3.5
55.05503	1.7
56.05045	2.6
57.03432	6.2
57.07090	11.0
60.04520	2.2
61.02937	8.2
63.04493	16.0
69.03436	13.7
69.07066	2.2
70.06598	15.3
72.08160	11.8
73.02920	2.8
74.06077	1.9
79.05485	1.5
80.23997	1.3
81.03413	6.6
83.06087	2.0
84.04501	5.2
84.08160	7.0
85.02911	100.0
86.06054	6.2
86.09713	27.1
87.04479	2.9
87.05597	3.0
88.03987	1.9
91.03957	7.6
91.05471	1.5
95.04971	1.1
96.04472	1.4
97.02899	23.3
99.04475	4.6
105.07025	1.7
109.02867	7.3
110.07207	1.9
114.58157	1.2
119.10702	88.1
120.08060	2.8
127.03917	23.2
129.10257	3.0
130.04971	1.8
133.06062	1.5
136.07587	1.3
138.00168	1.3
145.04974	47.2
146.06032	2.4
147.04424	2.7
147.07707	2.7
163.03906	1.4
163.06041	18.8
173.09215	1.4
173.12906	1.9
182.04970	10.4
183.05280	3.9
184.07137	1.2
196.14442	1.2
197.12910	2.3
201.12335	4.3
202.08353	1.7
208.02924	10.0
209.03197	8.1
214.15517	1.7
221.38472	1.4
230.07756	3.0
242.15146	1.8
260.16159	2.1
281.15985	3.6
311.16000	1.8
325.11337	2.3
327.08691	2.4
328.09143	7.8
329.14502	1.8
336.79236	1.4
416.67862	1.5
442.26340	1.3
460.18054	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	461.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00474	0.6
53.33052	0.4
55.05518	0.8
67.01624	0.5
67.05493	1.2
69.07043	0.7
69.67578	2.9
79.05453	0.5
81.07063	2.2
84.08150	0.5
85.02900	0.8
91.05478	0.6
93.07051	1.2
95.04974	0.6
95.08612	1.2
97.10173	0.5
98.20761	0.7
105.07018	0.9
107.08610	0.8
109.10172	0.7
119.08614	0.6
127.03944	0.5
131.08554	0.5
137.09593	0.6
145.06520	0.4
145.10068	0.5
147.11684	0.5
149.88161	0.5
153.08932	0.5
165.09148	1.6
166.09419	0.7
169.04800	0.7
185.04149	0.6
213.14653	9.4
225.16142	0.5
241.14142	6.2
255.15706	0.9
281.17517	0.7
341.19464	1.1
357.18890	2.7
375.19910	23.0
417.20972	42.8
443.27798	0.8
461.19983	100.0
462.20242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39966	0.7
55.05515	4.5
56.05040	9.7
57.03422	1.3
58.06601	1.5
59.14964	0.7
60.04532	0.9
67.05502	2.6
68.97240	0.8
69.03434	2.1
69.07076	15.7
70.06595	7.1
70.17438	1.8
71.06945	0.9
72.08160	37.5
72.40421	0.7
74.06086	55.4
79.05488	3.3
81.03424	1.7
81.07059	14.9
83.04977	1.1
84.04536	3.9
84.08141	2.7
85.02906	1.8
85.06536	1.0
86.06116	0.8
86.09711	100.0
88.03986	1.1
91.05470	2.5
93.07055	3.6
95.04981	2.7
95.08628	2.9
97.02908	4.0
97.06532	4.5
99.08101	8.9
101.07155	8.1
105.07052	2.2
106.05035	0.9
107.05001	1.3
107.08595	4.4
109.02885	0.9
109.06544	2.1
109.10155	6.4
114.09171	25.0
116.03470	1.2
116.07030	0.8
119.08645	1.9
120.08120	1.1
121.02908	2.0
121.06513	0.9
121.10157	2.4
123.08107	1.6
124.11217	1.2
125.09657	3.3
126.09019	0.8
126.12889	1.0
127.03889	1.4
128.07076	0.9
129.06857	0.7
129.10240	1.3
131.08569	2.2
133.10139	3.1
135.04439	1.6
135.11676	1.0
137.06029	1.5
137.09616	6.2
141.13876	2.2
142.08653	11.0
142.12297	2.0
143.08574	2.1
143.11819	1.9
145.10117	1.7
147.04433	2.8
147.08070	2.5
148.05962	0.9
149.09631	1.4
155.08757	1.0
157.10181	1.2
158.09657	1.7
159.11784	1.1
161.09711	0.9
165.09113	6.8
166.08749	2.3
167.08658	0.9
169.10161	1.9
169.13338	1.8
171.07983	3.9
171.11790	1.0
173.09683	1.3
173.13080	1.7
175.11218	1.1
179.08577	0.9
181.10042	1.1
183.11394	4.0
185.09682	0.8
187.14426	29.3
189.09035	3.8
193.10085	0.9
195.11647	0.9
197.09697	1.0
197.13074	3.1
199.11163	4.0
201.12451	6.3
211.11270	1.3
211.13243	2.1
213.12775	1.6
215.13924	20.7
217.08243	1.1
219.13420	10.5
221.09595	0.8
221.13292	0.9
223.11269	1.3
225.12357	23.1
227.14369	1.2
229.12270	1.3
229.15837	1.4
235.14856	1.5
239.14211	1.9
243.13425	28.4
243.15816	1.5
245.18713	2.0
253.15721	1.5
254.48622	0.9
261.14548	1.2
265.14368	1.0
273.65009	0.9
281.15414	3.6
281.18771	1.1
282.16187	1.1
297.83679	0.9
299.16397	0.9
300.06390	1.2
302.17184	6.4
309.18643	1.5
310.21252	8.6
311.20123	2.8
317.17740	2.1
320.18228	3.2
325.21802	2.0
327.19614	1.1
328.22192	4.1
338.20786	16.8
343.22598	2.0
345.20551	1.4
351.19598	1.0
356.21951	2.5
367.22867	0.9
387.21680	2.2
389.24783	1.2
407.25766	5.3
425.27069	9.5
443.28375	15.9
461.08545	6.2
461.29114	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03753	0.5
53.03946	5.6
55.01875	8.2
57.03435	4.6
60.04531	1.5
61.02924	4.3
61.94214	0.5
67.05501	0.5
68.39450	0.5
68.66992	0.5
68.99788	2.8
69.03432	24.7
70.06605	1.0
70.73299	0.6
70.73631	1.5
71.01335	0.8
71.04995	4.7
73.02917	7.3
79.05478	1.2
80.05001	0.7
81.03420	25.1
83.01350	0.7
83.04985	1.0
85.02905	71.7
87.00830	28.9
87.01269	0.5
87.04471	1.0
91.03954	2.4
91.05453	0.9
97.02893	25.7
98.06028	1.1
99.03838	1.0
99.04454	11.4
103.05466	5.4
105.01868	27.2
105.07023	2.3
107.04959	7.6
108.04487	7.9
109.02879	29.7
115.03880	0.7
115.05461	1.2
117.01871	3.7
120.05678	0.7
121.06534	0.6
126.05475	3.5
127.03919	51.4
128.04263	0.7
129.01855	3.3
131.04912	1.4
135.08055	4.7
139.03908	3.3
145.04964	26.1
145.07530	1.1
147.02876	2.8
147.04312	0.6
154.06241	26.3
159.01552	0.8
159.02892	17.0
163.07547	23.2
165.09114	1.6
167.07048	1.0
177.04021	1.0
180.07805	1.4
189.03899	1.3
193.08549	1.3
195.10172	100.0
196.10471	0.8
200.12811	1.1
207.10155	1.2
212.05466	1.0
213.03984	2.8
219.10223	0.9
221.07988	0.7
230.06662	4.2
231.04993	11.9
248.07683	6.6
249.06099	1.6
266.08722	1.6
298.20227	1.4
303.12149	1.1
346.37228	0.5
460.26764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01855	1.2
55.05270	0.3
55.05513	3.6
57.03412	0.7
58.34174	0.2
65.03916	0.4
67.05509	8.2
69.03419	1.2
69.06795	0.2
69.07068	2.5
69.31718	1.4
69.32145	0.8
70.93485	0.3
71.04985	0.9
74.52877	0.3
79.05077	0.4
79.05497	5.3
81.02995	0.4
81.03426	6.6
81.07061	7.2
83.04977	1.5
83.08627	2.0
85.02911	0.5
85.06533	0.9
86.09714	0.7
91.05486	5.0
93.07047	3.8
95.04963	2.7
95.08064	0.5
95.08615	5.5
97.02869	0.7
97.06535	1.7
97.10180	1.3
98.20692	0.5
99.08113	0.3
103.05486	0.3
105.07039	4.0
106.61163	0.3
107.04957	1.7
107.08607	2.9
109.02775	0.4
109.06545	1.3
109.09471	0.5
109.10162	6.0
111.08092	0.9
111.11720	0.3
114.09175	0.3
115.05430	0.3
117.07031	1.6
119.08593	5.3
121.06487	1.2
121.10133	1.8
122.07299	1.8
123.08052	1.1
123.11710	1.6
125.09635	1.2
127.07578	0.6
128.06177	0.4
129.06969	1.8
129.12729	0.4
130.05072	0.3
131.04909	0.4
131.08554	2.0
133.06479	1.0
133.10123	2.0
135.08064	1.0
135.11691	0.9
136.51340	0.3
137.06007	0.3
137.09618	12.1
137.13258	0.6
141.07018	0.5
143.08582	1.0
145.06476	2.3
145.10150	1.0
147.08038	1.0
147.11713	2.3
149.09598	1.4
149.13242	0.6
151.07533	0.3
151.11238	0.5
153.09039	0.6
153.12801	0.4
155.08554	1.2
157.06537	0.6
157.10178	1.7
158.07213	0.3
159.08067	0.5
159.11729	0.6
161.06007	0.4
161.09723	0.5
161.13251	0.9
163.11244	0.3
165.09122	100.0
166.09474	0.9
167.08508	0.3
169.07643	0.8
169.10089	0.5
171.08058	0.4
171.11674	0.3
173.09628	0.6
173.13248	0.4
175.11162	1.4
177.09100	0.5
183.08086	0.3
183.13843	1.1
185.13301	0.4
187.08655	0.5
187.11237	0.4
187.14928	0.3
189.11168	0.4
189.12738	0.5
193.12254	2.8
193.15863	0.3
195.11732	0.5
197.07068	0.5
197.09679	0.4
197.13301	0.4
199.11203	0.6
201.09245	0.3
203.10741	0.3
205.12273	2.3
211.11342	0.3
211.16870	0.4
213.09135	0.4
213.12746	0.6
215.14343	0.4
215.18088	0.3
223.11255	0.3
225.12659	0.4
233.15407	0.6
237.12665	0.4
249.14934	0.5
255.13811	0.7
273.14914	1.1
273.22174	0.7
289.25208	0.9
307.26263	1.9
316.16495	0.4
325.14432	1.1
328.16504	0.5
339.23077	0.6
349.21573	1.4
357.24438	0.5
361.20529	0.6
367.22717	3.6
385.23724	4.3
385.28418	0.4
403.24762	0.9
405.24225	0.4
422.46838	0.3
423.25229	0.5
441.25894	1.5
441.33780	0.4
459.27435	15.6
460.27567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01878	6.6
55.05516	19.2
57.03450	3.5
58.76485	0.6
65.03946	1.7
65.29794	0.5
67.05508	24.7
69.03424	2.7
69.07074	6.8
70.80281	1.6
71.04980	1.8
73.06593	0.6
73.14648	0.5
79.05499	24.6
81.03423	25.4
81.06587	1.3
81.07063	22.1
83.04987	4.5
83.08154	0.8
83.08623	11.4
85.02888	1.5
85.06535	2.1
91.05489	17.9
93.07050	14.1
95.04977	13.5
95.08611	11.3
97.02888	1.5
97.06526	4.9
97.10172	15.6
99.08055	1.4
103.05439	1.0
105.04505	0.8
105.07035	14.1
107.04964	10.8
107.08604	12.6
109.06505	3.4
109.10157	7.2
111.04457	0.8
111.08090	4.4
115.05470	2.4
117.07030	6.7
119.08593	9.0
121.06506	9.8
121.10149	6.1
123.04425	1.4
123.08078	4.1
123.11729	1.4
125.05972	1.3
125.09634	10.5
128.06252	1.8
129.07021	9.8
131.04919	4.2
131.08571	10.2
133.06511	5.8
133.10147	4.4
135.08018	4.6
135.11694	2.4
137.05986	1.2
137.09665	2.0
141.07005	3.4
141.99390	0.6
142.07780	1.8
143.08589	6.3
144.05704	0.9
145.06490	22.0
145.10126	4.8
147.04446	2.5
147.08052	4.9
147.11700	4.8
149.09644	3.6
149.13226	1.1
151.07579	1.7
153.09096	3.3
153.12714	0.9
155.08600	4.6
157.06514	2.9
157.10165	5.7
159.08075	5.2
159.11737	2.4
161.06013	3.5
161.09605	2.0
161.13278	0.7
163.07637	0.9
163.11214	2.2
165.07034	0.8
165.09177	2.9
165.12746	1.7
167.08582	1.8
168.09315	0.7
169.06479	2.3
169.10115	3.1
171.08064	4.1
171.10419	0.7
171.11688	2.9
173.09554	2.9
173.13329	0.8
175.07512	1.1
175.11160	4.2
175.14928	0.9
177.12726	1.5
179.08577	1.4
181.06442	0.7
181.10132	1.8
183.08054	1.7
183.11659	1.3
185.09625	2.0
185.13261	1.8
187.11235	1.3
187.14839	2.4
189.09172	1.2
189.11218	4.1
189.12758	1.5
193.10429	1.4
193.12256	14.6
195.08083	2.0
195.11702	2.6
197.09682	2.0
197.13301	2.6
199.11218	3.3
201.12741	0.8
203.14314	0.9
205.12218	1.3
207.11658	0.8
209.13225	1.0
211.11214	2.4
211.13147	1.0
211.49722	0.6
213.12749	1.8
215.14369	1.8
217.12141	0.9
219.11801	0.9
223.11230	1.3
225.12712	1.5
227.14375	2.4
231.13821	1.5
233.15422	2.8
235.11136	1.4
237.12717	3.8
239.14395	1.5
243.13901	1.4
245.15335	1.2
249.12610	1.0
249.14915	2.4
251.14346	1.0
255.13780	4.4
257.15445	1.0
259.13290	1.4
269.15332	1.6
271.17068	1.5
273.14871	17.0
275.16602	1.2
281.15610	1.0
283.16998	1.3
287.16483	2.1
289.18008	0.8
289.25333	1.2
297.18396	0.7
299.16281	1.0
300.17365	0.7
321.21875	1.0
325.14575	1.4
325.17990	0.8
331.20712	1.1
339.23331	3.6
349.21667	13.0
357.24222	3.3
367.22708	37.4
385.18753	1.4
385.23749	29.9
395.25763	0.8
403.24777	5.9
405.24384	3.0
423.25455	1.5
441.26367	5.9
459.27441	100.0
460.27808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
55.05513	3.6
56.04994	2.0
59.93924	0.6
60.04513	1.0
67.05508	4.2
68.32434	0.4
69.03403	1.2
69.07073	19.6
70.06597	2.6
71.04977	0.6
71.52818	0.5
72.08160	3.4
73.06567	2.6
79.05505	7.5
80.14603	0.5
81.03374	1.4
81.07062	10.3
82.06548	1.3
83.04937	1.0
83.08578	0.6
83.82230	0.4
84.04501	4.7
84.08130	1.2
85.02879	0.8
85.06500	1.4
86.06072	21.9
86.09673	1.2
88.03952	1.1
88.53722	0.5
91.05493	4.1
93.07044	3.0
94.06531	0.7
95.04932	1.7
95.08638	3.1
96.08143	5.4
97.02850	1.0
97.06544	4.7
97.10144	0.7
98.06010	1.3
98.09700	6.3
99.04429	1.2
99.32777	0.5
105.07028	5.1
107.04923	0.9
107.08589	2.7
108.08109	2.9
109.06487	2.3
109.10121	1.5
110.09649	1.0
110.10385	0.7
112.07594	1.0
113.08305	0.8
114.09193	3.8
115.07524	1.5
116.10742	56.1
117.06931	0.6
119.04937	0.7
119.08566	3.3
120.08068	0.9
121.10142	2.5
122.09649	1.3
123.08067	0.8
123.11674	2.1
124.07625	2.9
124.08362	0.6
125.09593	0.6
126.09129	0.6
127.03892	0.5
129.07002	0.8
130.04079	0.7
130.05006	10.1
130.08623	0.7
131.08533	1.6
133.10081	1.7
134.09630	1.1
135.08043	0.6
135.11589	0.6
137.05891	0.5
138.09062	0.6
140.07050	1.3
142.07735	0.7
142.08656	6.0
143.08548	1.0
144.13802	0.7
145.10075	0.8
147.11707	3.2
149.09631	0.7
151.11122	2.0
152.07059	0.6
152.10699	1.0
154.08560	1.8
157.10124	1.4
159.10214	3.2
159.11469	0.7
160.09677	5.1
165.09105	2.6
165.12755	0.8
166.09439	0.9
170.15385	1.2
175.11111	1.6
182.15378	0.9
184.16904	0.7
186.07625	1.0
193.12253	1.0
194.15398	1.8
198.11237	0.7
200.35817	0.5
201.09120	0.6
208.13303	1.0
210.14851	0.6
212.16473	17.6
216.99286	0.5
221.15359	0.6
223.20505	0.5
226.14432	0.6
230.17526	100.0
231.17799	0.9
235.59464	0.5
256.15463	11.2
272.14966	1.3
272.18716	1.7
274.16519	0.9
279.19666	2.0
324.22079	0.8
344.24304	5.6
350.78342	0.7
360.16772	1.2
440.25076	0.6
440.30533	3.3
458.26459	1.8
458.31302	28.3
459.26859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01867	4.9
55.05515	22.3
55.53967	0.6
56.01374	0.7
56.71389	0.7
57.03444	4.6
57.07072	0.8
58.71400	0.6
67.05508	22.5
69.03445	3.9
69.07069	7.4
69.88615	3.9
71.04990	1.6
71.08620	2.1
71.12505	0.7
73.40981	0.8
79.05496	24.9
81.03420	18.0
81.07057	23.0
83.04978	7.2
83.08618	11.4
84.08133	0.7
85.02893	0.9
85.06555	2.2
86.06073	1.9
87.06406	0.7
91.04915	0.9
91.05486	16.8
93.07045	12.9
95.04962	10.0
95.08611	11.4
97.02901	1.7
97.06532	6.7
97.10166	14.6
98.09692	1.7
99.08108	1.2
100.08449	0.8
101.06024	1.7
103.05468	1.2
105.03419	0.7
105.07040	13.7
107.04965	11.0
107.08594	11.8
108.08147	0.7
109.06557	3.5
109.10155	8.4
111.04440	1.7
111.08092	2.9
113.06017	0.8
115.05460	0.8
116.10754	4.0
117.07013	6.5
117.11084	1.3
119.04926	1.5
119.08588	10.9
121.06508	9.3
121.10136	4.9
123.04461	0.9
123.08077	4.1
123.11707	1.4
125.06036	1.2
125.09642	12.8
128.06248	2.0
129.07019	9.7
131.04947	4.5
131.08557	9.3
133.06490	4.9
133.10123	6.0
135.04451	0.8
135.08047	5.2
135.11697	2.6
137.06012	1.8
137.09644	2.6
141.06943	3.4
143.08545	4.9
143.10686	1.1
144.05734	1.4
145.06494	19.7
145.10120	5.6
147.04448	2.7
147.08054	6.5
147.11671	5.3
149.05995	1.1
149.09628	2.7
153.07053	1.0
153.09137	3.1
153.12793	1.1
155.08568	4.1
157.06506	3.9
157.10141	6.2
159.08066	5.3
159.11771	2.0
161.06017	2.6
161.09625	2.6
161.13246	1.1
163.11223	2.4
165.05557	0.7
165.06975	1.2
165.09140	6.1
165.12825	1.3
167.08612	2.0
168.09451	1.0
169.06448	1.6
169.10149	2.2
170.07266	1.1
171.08073	5.5
171.10310	1.0
171.11642	3.5
173.09645	2.4
173.13297	1.4
175.11182	3.6
177.12816	1.2
179.08659	1.7
179.10590	0.9
179.16162	0.8
181.06587	1.3
181.10150	2.0
183.08102	2.2
183.11710	1.9
185.09651	2.6
185.13295	2.2
187.11227	2.1
187.14893	2.0
189.09070	0.9
189.11250	6.1
189.12811	2.1
193.10336	1.3
193.12250	13.0
195.08067	2.6
195.11703	3.4
196.16946	2.1
197.09634	2.1
197.13304	2.8
197.17302	2.9
199.11247	3.2
199.14874	1.4
201.12732	0.8
205.10240	1.0
205.12288	1.9
207.11748	1.2
209.09689	1.7
209.13326	1.2
211.11186	2.0
211.13170	1.1
213.12756	1.2
214.18031	22.5
214.20006	1.3
215.10835	0.9
215.14326	2.0
215.18381	26.2
217.12350	1.1
219.13867	0.8
223.11290	1.3
225.12808	1.5
226.14453	1.0
227.14496	4.1
229.08832	0.9
231.13855	1.5
233.15340	3.7
237.12823	4.0
239.14581	0.9
243.13788	1.2
245.15489	1.1
249.14951	1.7
255.13780	3.9
257.15475	1.0
259.09900	0.9
259.13007	0.9
261.15094	0.9
269.15384	1.6
271.17062	1.7
273.14850	13.8
283.17029	0.8
287.16541	1.9
289.18414	1.1
297.14743	1.1
307.13345	1.4
311.16464	1.6
321.22198	1.3
325.14325	4.0
325.17886	1.1
325.21973	1.1
331.20773	1.3
339.23190	4.8
349.21619	12.0
357.24326	2.9
360.16803	0.8
361.17035	1.1
367.22684	38.5
385.23749	29.3
403.24893	6.6
405.24243	2.6
423.25287	2.1
441.26529	7.2
459.27509	100.0
460.27872	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07922	0.4
55.01876	0.5
55.05509	6.4
56.05035	0.9
57.03435	0.4
59.05001	0.4
62.06093	0.6
67.05499	1.0
69.07052	1.3
69.67542	2.2
70.06575	1.1
70.20930	0.4
71.08635	2.9
72.08158	2.3
79.05487	2.0
81.03414	1.1
81.07052	2.1
83.04980	8.4
83.07388	0.4
83.08591	0.4
84.08147	0.8
85.06522	0.4
86.06070	17.5
91.05484	1.3
93.07040	1.7
95.04962	0.6
95.08597	1.4
96.08138	6.1
97.06512	0.6
98.06036	1.3
98.09690	12.2
99.00804	0.8
99.08089	0.9
101.06011	5.9
105.07022	0.9
107.08591	1.4
108.08121	1.3
109.06496	0.5
109.10137	0.8
110.09701	0.6
111.04443	11.4
114.09161	0.5
116.10732	29.2
117.07020	0.5
119.08581	2.5
120.08103	0.4
121.08902	0.5
121.10125	0.8
121.25396	0.3
122.09657	1.4
123.11697	0.4
124.07575	1.1
126.09133	0.7
129.05472	3.9
129.06960	0.5
131.08546	0.5
133.10103	0.3
134.09647	1.2
135.10432	0.8
136.07611	0.4
136.11201	0.8
137.09610	1.1
137.27617	0.4
142.07582	0.7
142.08636	10.8
142.12267	1.1
143.10680	5.5
146.09636	0.6
148.11238	1.1
152.10789	0.5
154.08635	1.0
154.15982	0.5
155.07014	2.2
162.12796	1.4
164.10728	6.7
165.09109	0.4
173.08119	0.7
178.12245	0.6
180.13829	1.9
181.04907	1.1
182.15396	4.7
184.13399	0.9
186.19856	0.4
190.12254	5.2
196.13289	0.5
196.17017	1.4
198.14899	1.6
208.13332	8.2
214.16182	0.4
214.18013	16.6
226.14383	27.9
227.05424	0.5
227.14676	0.4
244.15453	7.2
245.06621	1.1
266.81577	0.4
289.09293	0.6
324.14398	0.5
324.21823	2.3
342.15479	6.9
342.22296	0.7
344.24255	1.3
360.16516	100.0
361.16840	1.4
367.22775	0.4
385.23532	0.6
440.17044	0.4
440.22720	1.7
442.66159	0.4
443.48254	0.4
443.68411	0.4
458.23856	9.6
459.27499	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	458.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41342	0.2
55.05512	5.4
56.05011	0.4
59.04986	0.4
62.06079	1.0
62.61047	0.2
67.05490	1.0
68.00666	0.2
68.05022	0.2
69.03414	0.4
69.07062	1.2
70.06590	0.5
71.08635	6.1
72.08147	1.4
79.05502	1.1
81.03431	0.3
81.07054	2.1
83.04981	5.3
83.08593	0.6
84.04501	0.5
84.08139	1.4
86.06072	4.0
89.02361	0.2
91.05453	0.3
93.07063	0.5
95.04939	0.3
95.08617	1.7
96.08131	3.0
96.20345	0.2
97.06523	0.5
97.10150	0.3
98.06047	1.0
98.09696	5.0
98.21561	0.5
99.00800	0.8
99.08097	2.3
99.65154	0.2
101.06023	3.6
105.07032	0.5
107.08577	0.7
108.08138	1.7
109.06512	0.4
109.10151	0.5
110.09657	0.8
111.04445	5.9
112.07575	0.4
113.06010	0.3
113.08351	0.4
114.09174	0.5
116.10734	16.5
117.58631	0.2
119.08571	0.5
121.10169	0.4
122.09666	1.8
124.07601	0.8
126.09151	0.9
127.07536	0.4
129.05455	1.6
133.10126	0.2
134.09662	0.3
135.10440	0.3
136.11189	0.6
140.10709	0.5
142.08611	1.3
142.12271	0.3
143.10652	1.6
145.06372	0.2
147.06389	0.2
152.14336	0.4
154.08618	1.4
154.12381	0.3
154.15909	3.3
155.07027	1.8
164.10680	0.5
164.14342	0.5
165.09143	0.2
166.15913	2.2
168.17453	0.6
170.15390	0.3
172.09669	0.3
173.08075	0.5
178.15938	1.7
181.04883	1.1
182.15398	0.6
190.12254	0.3
193.09044	0.3
196.16975	8.7
198.14995	0.2
208.13310	1.2
212.16382	0.3
214.18022	100.0
215.18379	0.8
226.14386	12.6
229.03262	0.3
230.17514	1.4
244.15488	0.5
245.06590	1.1
288.10672	0.6
289.09210	0.7
324.18088	0.5
324.21713	6.5
342.15417	0.4
342.22614	0.4
360.16580	3.8
385.23920	0.3
440.22946	0.4
458.17801	0.4
458.23856	6.2
458.30435	0.4
459.27280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.99744	0.4
55.01868	1.7
55.05512	0.6
57.03431	1.8
57.07077	14.1
58.29401	0.3
59.05002	100.0
60.05326	0.6
61.02922	1.4
68.99792	0.8
69.03432	6.8
69.67326	2.5
71.05003	0.9
73.02925	1.5
81.03422	4.9
81.07056	0.4
82.91927	0.4
85.02908	17.4
87.00837	8.3
87.04449	0.4
94.79448	0.4
97.02892	5.6
97.10181	0.8
98.20761	0.6
99.04461	2.6
105.01196	0.6
105.01873	6.6
105.02554	0.3
109.02885	5.4
115.11209	32.3
117.01863	0.5
117.09126	1.3
127.03930	9.2
129.01804	0.9
145.04965	3.5
147.02881	0.6
159.02901	2.5
173.15376	5.8
191.16426	74.6
192.16763	0.8
231.04970	1.2
286.80087	0.4
456.32922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
55.05271	0.6
55.05511	7.2
56.05023	0.8
59.05003	0.5
62.06086	0.5
67.05499	1.5
69.07065	1.3
69.59081	1.0
69.59496	1.6
69.71838	0.4
70.06599	0.9
71.08632	3.0
72.08158	2.0
73.02487	0.4
79.05495	1.8
81.05801	0.5
81.07069	2.8
82.06576	0.7
83.04981	9.1
83.07355	0.5
83.08582	0.5
84.04497	0.7
84.08150	0.5
85.02914	0.5
86.06073	16.8
86.09703	0.5
91.05487	2.3
91.20058	0.3
93.07043	1.7
94.06547	0.7
95.04992	0.5
95.08604	1.6
96.08136	5.3
97.02926	0.4
97.06527	0.6
98.06062	1.2
98.09698	11.3
99.00833	0.6
99.08097	1.2
101.06018	5.2
105.07042	0.9
107.08558	1.0
108.08111	2.4
109.06505	0.5
109.10175	0.7
109.78696	0.4
110.09666	0.3
111.04444	12.7
111.08055	0.4
114.09193	0.7
116.10741	29.4
119.08578	3.6
120.08118	0.5
121.08940	0.4
121.10143	1.0
122.09650	1.2
124.07574	1.7
129.05486	4.2
130.05008	0.8
133.10127	0.5
134.09676	1.4
135.10410	0.8
137.09613	1.5
140.07042	0.4
142.08650	14.0
142.09776	0.9
142.12265	3.8
143.10692	5.4
146.09717	0.7
147.06596	0.8
147.08026	0.4
147.10429	0.6
148.11201	0.9
154.08636	2.0
155.07025	2.7
160.09709	0.6
162.12776	1.3
164.10728	7.5
165.09099	1.5
166.09421	0.6
173.08141	0.9
180.13904	1.2
181.04967	0.9
182.15408	5.9
184.13383	0.8
190.12274	5.8
196.17059	0.5
198.14932	1.9
199.06050	0.6
208.13361	8.1
214.18039	8.2
226.14398	29.6
244.15485	6.8
245.06630	0.9
256.15393	0.9
289.09177	0.5
324.21738	3.2
342.15500	7.1
360.16537	100.0
361.16864	1.5
422.29153	1.2
440.22769	4.3
458.23834	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	455.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14719	2.3
53.03941	5.0
55.01868	3.3
55.05511	15.6
57.03426	4.2
57.07062	7.4
59.04998	12.2
60.77044	2.5
61.02913	2.8
67.05505	17.4
69.03442	16.4
69.07056	12.3
70.55224	8.3
71.05004	4.5
77.87697	2.6
79.05493	13.2
81.03405	6.0
81.07062	32.6
83.04981	16.2
83.08621	10.2
85.02925	16.0
85.06552	21.1
91.05483	10.2
93.07050	30.2
95.04964	11.5
95.08620	26.5
97.02869	8.1
97.06540	8.8
97.10168	6.9
99.08083	3.9
105.07045	16.7
107.04932	2.7
107.08598	28.0
107.22972	2.6
109.02827	3.6
109.06532	5.0
109.10148	21.0
111.04465	3.4
111.08083	32.3
113.06039	4.8
113.09651	6.4
114.09167	3.8
117.07034	6.0
119.08575	29.9
121.06522	8.0
121.10156	42.5
123.04420	5.5
123.08073	5.9
123.11716	25.2
125.09637	30.0
127.03922	2.9
127.07532	3.6
131.08562	12.3
133.10130	17.2
135.08037	10.3
135.11681	9.1
137.09601	12.2
139.11168	6.6
143.08572	4.6
144.09343	3.3
145.04929	4.3
145.09125	3.4
145.10097	22.2
147.08015	4.5
147.11681	12.6
149.09599	22.3
149.13214	3.5
151.11205	6.2
153.09119	49.9
157.10107	4.5
158.10912	4.3
159.08044	4.0
159.11659	14.5
161.09639	6.4
161.13312	6.0
163.11169	8.6
163.14839	4.4
165.09152	5.0
167.10718	3.8
170.15407	3.0
171.11722	6.4
173.09714	4.0
173.13277	33.4
175.14789	4.4
179.10625	4.9
181.12248	4.6
183.11668	4.3
185.13248	4.1
187.11237	4.8
187.14792	26.0
189.12788	4.3
191.14317	12.7
193.12332	3.4
197.13196	4.3
199.14899	4.9
201.12708	8.1
203.14339	4.8
205.15935	3.0
209.15149	2.6
215.14296	7.7
217.16005	4.5
219.13838	9.2
229.19579	10.1
233.15347	3.7
247.20554	6.3
257.18991	18.1
258.21658	3.1
275.20087	100.0
293.21112	84.5
373.11243	3.1
437.25519	4.1
455.21649	7.0
455.35901	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	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01873	1.3
55.05512	0.9
57.03420	1.9
57.06792	0.9
57.07074	12.9
57.07349	0.7
59.05003	100.0
61.02929	1.2
68.99788	0.8
69.03427	7.8
69.20669	3.7
70.06594	0.4
71.04983	0.7
73.02915	1.3
79.05513	0.4
79.07199	0.3
81.03423	5.0
81.07058	0.4
85.02908	17.4
85.06584	0.4
87.00832	7.7
87.68580	0.3
91.03961	0.7
93.07036	0.6
95.04967	0.4
95.08629	0.6
97.02885	6.4
97.10186	0.8
98.09699	0.7
99.04449	2.6
101.09678	0.9
105.01864	5.5
107.08563	0.4
109.02885	5.1
115.11210	29.1
117.01830	0.6
117.09155	2.9
127.03926	9.2
129.01886	0.8
142.12306	0.6
145.04945	3.9
147.02921	0.5
159.02899	2.6
159.99507	0.4
173.15376	5.4
190.06776	0.6
190.34352	0.4
191.16426	67.4
192.16846	0.7
197.34502	0.4
208.07941	0.7
231.04964	1.1
249.06082	0.4
299.24933	0.5
313.99127	0.5
456.32959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94265	22.0
55.05510	31.5
57.07065	68.5
59.05017	28.5
62.03189	22.7
63.68427	25.0
67.05519	38.8
69.07068	28.3
71.08623	45.6
71.52383	31.7
73.96723	22.2
79.05499	29.4
81.07053	57.3
83.08616	53.4
89.06026	100.0
93.07017	48.2
95.08569	25.6
96.08992	27.6
96.40323	22.5
97.06515	53.9
103.87816	24.5
108.61060	26.4
133.08607	70.6
135.04410	75.2
148.12215	25.8
177.11256	32.3
195.13824	29.3
239.15034	28.4
283.17545	56.1
313.27499	53.7
343.66705	34.4
366.94406	25.6
424.39896	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	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93119	0.6
61.28902	0.6
71.51175	0.8
91.57079	0.7
91.67648	0.6
112.89613	14.3
114.89358	1.1
131.68665	0.6
211.45320	0.6
221.64333	0.7
259.78677	0.7
282.81985	0.8
455.11658	100.0
456.11661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03936	2.2
55.01857	1.6
55.05521	2.4
57.03428	0.8
57.07071	0.6
60.00731	0.4
60.41433	0.4
61.02911	1.0
62.18456	0.4
62.58418	0.4
67.05502	1.1
69.03088	0.8
69.03434	11.2
69.07073	3.6
70.06648	5.6
71.04993	0.9
72.08157	0.5
73.02919	1.0
77.03951	0.7
79.05072	0.7
79.05495	8.8
81.03419	3.9
81.07050	2.0
83.04987	6.6
83.08612	1.0
84.08139	0.7
85.02914	7.1
85.06549	0.8
86.09707	20.4
87.00845	3.0
91.05474	5.0
93.07029	3.3
95.04972	1.8
95.08603	2.3
97.02901	4.0
97.06530	0.9
98.20818	0.6
98.97610	0.5
99.04448	1.0
99.11205	0.5
103.05465	3.6
105.01871	2.0
105.04520	0.9
105.07036	8.4
107.05014	0.7
107.08604	8.6
109.02876	2.4
109.06513	2.0
109.10165	0.8
111.08067	0.9
112.91562	0.5
115.05386	0.5
116.07099	6.3
117.06997	1.2
119.08574	4.8
121.06506	5.5
121.10150	5.5
123.08086	1.7
127.03894	4.5
129.07031	1.6
131.08562	4.4
133.06496	100.0
133.10123	6.3
134.06882	0.8
135.08061	7.7
135.11710	1.2
137.09596	0.7
143.08549	1.8
145.04959	1.4
145.10155	2.4
147.08038	2.8
147.11679	5.2
149.09604	2.5
149.13284	1.4
151.07593	0.8
156.09251	0.6
158.10915	2.6
159.02899	2.1
159.08080	1.8
159.11768	0.8
161.09647	3.8
161.13252	1.4
163.11191	5.7
163.14821	0.6
165.09189	0.5
171.11723	0.9
173.13287	5.3
174.10440	4.4
176.11969	1.1
187.11211	0.6
189.11409	0.3
189.12746	29.3
191.14311	56.3
192.14565	0.5
195.02821	0.6
199.18063	4.4
203.14711	0.5
207.13803	20.0
227.17554	9.1
229.12085	0.6
229.15515	4.3
231.04924	0.6
275.20016	0.8
293.21231	0.6
297.14911	1.1
340.25943	2.9
455.18832	8.8
455.26315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
50.01619	0.5
50.12051	0.4
55.05508	1.5
57.03444	3.9
57.06796	0.6
57.07082	19.0
62.06095	23.4
62.21091	0.4
67.05513	4.3
69.07082	3.0
69.89868	2.0
69.90231	0.8
71.08640	15.3
78.49774	0.4
79.05505	0.5
80.45808	0.4
81.07065	5.2
81.23352	0.4
83.08628	4.3
85.10189	9.0
88.25546	0.4
95.08607	8.6
97.10187	2.6
98.14791	0.4
98.98478	5.2
103.07601	0.9
109.10169	3.8
115.05242	0.5
121.10152	0.8
123.11717	1.4
124.01635	1.2
142.02661	1.4
155.01048	5.4
173.02158	0.5
198.05302	1.7
204.46187	0.4
213.89458	0.4
216.06375	2.2
239.23712	1.6
257.24835	0.6
282.27942	12.6
282.31070	0.7
313.27390	100.0
314.27838	1.3
393.24072	6.4
436.28250	4.5
454.29276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.1
51.80564	2.4
53.03942	11.1
54.61640	2.2
55.01875	7.6
55.05510	17.8
57.07059	4.1
61.02903	3.4
65.03942	7.6
67.05512	51.3
69.03442	3.8
69.07070	11.7
71.04992	4.3
71.09506	3.6
71.09837	3.2
77.03928	3.0
78.62030	2.8
79.05502	59.5
80.53401	2.5
81.03411	10.1
81.07072	35.3
82.05212	2.4
83.04977	4.2
83.08614	3.0
86.05254	2.5
91.05490	100.0
93.03420	6.6
93.07050	30.7
95.04973	11.9
95.08628	22.0
97.06516	4.6
103.05468	11.1
105.03413	3.6
105.04523	3.8
105.07033	53.9
107.04980	14.9
107.08596	12.3
109.02869	13.1
109.06517	4.7
109.10178	6.6
113.98215	2.4
114.35828	2.2
115.05464	29.4
116.06231	8.0
116.76572	2.4
117.01847	7.8
117.07023	52.1
119.04971	6.4
119.08601	21.6
121.06531	7.1
121.10146	8.2
123.04395	3.2
124.12939	2.7
127.03872	2.4
128.06253	34.7
129.07011	51.8
130.07852	5.8
131.04967	7.4
131.08557	38.3
133.06552	12.0
133.10133	8.9
135.04420	6.6
135.08041	3.6
135.11635	3.7
137.05997	4.8
141.06993	38.9
142.07826	12.5
143.08577	23.5
144.05757	5.1
144.09338	3.5
145.06496	17.7
145.10158	11.9
147.08081	10.2
149.05989	4.8
152.06300	3.0
152.74896	2.5
153.07016	14.3
154.07826	12.7
155.06123	6.7
155.08565	31.8
156.09355	4.6
157.06543	5.5
157.10156	12.5
158.07205	4.4
159.08076	10.9
159.11714	10.6
161.06013	5.4
165.06990	10.6
166.07777	5.7
167.08595	12.1
168.09325	5.9
169.06520	4.3
169.10143	25.0
170.10934	2.6
171.08138	6.5
171.11780	5.2
173.06041	3.6
173.09700	6.0
173.13300	3.2
175.03860	3.8
175.07614	3.2
177.08989	3.2
179.08559	7.6
181.06494	3.2
181.10112	9.2
183.08061	4.9
183.11729	11.1
185.09738	4.0
187.07573	9.1
189.09189	3.8
195.11798	3.6
197.09634	5.0
197.13242	3.5
199.07532	4.6
201.09166	4.8
203.14308	2.8
257.19073	3.6
267.17587	3.0
285.18527	17.6
313.17938	8.7
331.19119	3.3
383.23184	2.8
391.20673	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	452.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17984	1.3
51.13703	1.4
51.17773	1.3
53.03937	5.4
55.01867	5.7
55.05514	10.9
57.03430	6.5
57.07082	3.1
57.61298	1.5
59.05003	7.3
61.02921	5.6
67.05184	2.0
67.05514	26.1
68.99784	1.7
69.03439	28.3
69.07076	18.6
70.06580	1.5
70.07380	1.5
71.04657	1.6
71.05004	15.7
71.52020	2.2
72.00967	1.5
73.02898	4.8
73.06587	2.4
79.05502	8.6
81.03424	20.3
81.06596	2.4
81.07063	47.6
83.04972	2.8
83.08635	10.2
85.02912	72.8
85.06094	2.1
85.06553	32.1
86.09728	7.0
87.00838	36.3
87.04471	2.4
89.06042	3.7
91.03967	1.6
91.05492	2.6
93.07030	5.6
95.04983	2.5
95.08616	91.0
97.02908	21.8
97.06544	21.2
97.10175	3.1
98.06874	7.3
99.04449	10.5
99.08120	9.9
99.08670	1.7
103.07576	2.6
105.01872	38.8
105.07027	4.1
107.08582	3.0
109.02891	19.3
109.06522	1.9
109.10159	26.3
111.04423	2.9
111.08102	2.3
111.11722	1.6
115.03917	1.6
117.01862	2.2
119.08608	3.6
120.08119	1.6
121.06453	2.7
121.10136	2.8
123.11696	4.9
124.99994	3.3
125.13274	5.5
127.03925	42.7
129.01872	2.6
131.08540	3.0
133.08624	3.1
133.10101	3.5
135.04399	1.7
135.07959	1.4
135.75549	1.4
137.05917	2.2
141.13065	1.3
145.04958	13.4
145.10208	1.8
147.11722	2.8
151.14838	15.5
159.02931	8.1
161.02362	2.1
163.03928	4.9
164.04274	4.7
169.15894	100.0
171.02925	1.7
173.02325	4.3
174.02702	4.3
177.11244	1.8
184.07344	12.8
187.16954	42.2
189.03987	1.8
193.12248	2.4
211.13316	3.0
213.04047	2.5
214.82393	1.6
215.07053	6.6
216.07408	7.6
231.05051	7.5
249.05936	4.2
259.09708	12.5
260.10034	24.6
360.22058	2.1
388.80234	1.7
416.20380	1.5
420.29926	1.5
452.18466	2.4
452.25989	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	452.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.6
55.05521	26.8
57.03445	5.2
57.07068	4.5
66.32748	4.9
67.05504	28.2
69.03415	10.3
69.07061	17.7
70.06624	9.0
71.04996	29.8
71.52494	7.2
73.06558	4.9
79.05492	28.5
81.03432	47.0
81.07062	58.9
83.01323	4.2
83.04971	18.3
83.08627	23.4
85.02902	13.8
86.09708	9.5
89.61208	4.1
91.05489	33.3
91.61430	4.4
93.07046	41.4
95.04950	17.3
95.08611	45.0
97.02917	7.4
97.06515	17.3
97.10183	6.3
99.08088	6.6
105.07050	56.2
107.04945	7.4
107.08588	44.3
109.06528	6.5
109.10147	18.9
111.00800	4.6
111.08077	13.0
117.06985	6.2
119.08591	34.6
120.08083	5.6
121.06506	4.4
121.10166	27.7
123.08035	6.0
123.11694	15.2
123.44321	4.8
125.09628	20.0
127.03962	6.2
127.07494	6.3
129.06996	10.6
131.08545	16.7
133.10144	76.5
135.11674	7.7
136.06165	5.3
143.10701	40.8
145.10074	17.0
147.11711	33.4
149.09613	8.4
149.13271	30.5
151.11237	7.3
157.10143	9.3
159.11685	12.8
160.09544	4.5
161.13232	6.8
163.03931	5.6
163.11211	4.5
163.39618	4.7
165.17764	4.5
167.14316	69.2
175.11177	9.6
178.12187	4.4
182.15245	4.2
193.12222	44.7
201.16408	18.1
203.17921	6.0
211.13293	100.0
213.68163	4.2
219.17453	76.8
237.18466	12.8
259.09561	6.1
260.09946	14.2
306.31592	4.7
434.17310	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	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01865	1.3
55.05505	1.3
56.38470	0.8
57.03437	3.9
61.02921	3.3
62.95949	0.7
65.12576	0.7
67.05508	12.0
69.03429	2.0
69.07069	2.3
70.06597	23.6
70.64249	1.6
71.04968	1.5
71.06922	1.4
71.84312	0.8
72.08148	1.6
73.02907	0.8
74.40253	0.8
79.05499	3.4
81.03421	50.0
81.07079	3.8
82.40833	0.7
83.04993	3.7
83.05399	0.7
84.04488	2.4
84.08135	4.5
85.02911	12.9
86.09695	4.3
91.03946	1.7
91.05484	31.8
93.07051	13.1
95.05005	1.0
95.08611	10.8
97.02918	3.6
97.06522	1.0
105.07017	3.3
107.04956	0.9
107.08583	0.8
109.10164	10.7
111.08091	1.0
117.07027	1.9
119.08589	55.9
120.08102	2.6
121.06509	4.3
121.10145	2.2
123.08080	1.7
125.15672	0.7
127.03914	0.8
129.07045	0.9
129.10249	1.4
133.06013	0.7
135.08046	1.2
137.09625	34.3
147.08044	7.1
150.07730	1.2
153.12750	1.8
165.09125	54.3
183.10168	14.4
183.11612	1.2
201.11192	2.5
215.13945	1.1
239.12769	16.6
257.13867	100.0
274.15002	0.8
276.19586	3.1
365.89716	0.8
401.18021	1.8
416.18628	1.6
417.19345	0.9
419.19183	1.3
454.19104	1.4
454.24829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02293	0.4
71.00738	1.0
79.88834	0.4
91.94244	0.5
131.25272	0.5
391.02835	1.0
394.57385	0.4
451.04898	100.0
452.05261	1.8
476.91159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.12279	0.7
55.79529	0.8
56.96570	5.5
60.29359	0.9
69.03436	2.4
69.64455	0.8
69.90391	4.6
70.06594	1.4
70.98112	0.9
81.03407	1.0
84.08151	1.2
84.96038	1.2
85.02895	3.8
86.09709	1.3
97.02890	1.1
98.97593	16.5
110.97578	3.8
112.07574	1.0
112.99168	0.9
115.00713	0.9
116.98650	5.7
117.72441	0.8
127.03890	1.6
128.98619	3.3
130.08656	1.6
134.99680	1.1
146.99640	1.6
158.99675	7.1
161.01260	0.9
161.02931	1.5
163.03862	4.0
170.99678	1.2
172.09692	1.2
177.00713	6.5
186.04460	1.9
186.99324	0.9
189.04317	1.2
190.98714	1.0
201.00739	0.9
204.05379	1.3
217.00418	1.3
219.01779	5.2
237.02792	6.1
279.03973	1.0
291.07471	2.2
309.08612	6.8
313.05710	1.0
391.02585	1.9
391.09232	1.6
451.04919	100.0
451.10944	5.4
452.05176	1.7
478.31744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06208	0.2
55.01854	0.4
55.05510	0.6
56.05032	0.3
67.05489	0.6
68.05022	0.4
68.05857	0.2
69.03423	0.3
69.07061	0.9
70.06590	2.8
71.04982	0.2
71.06912	0.4
71.08616	0.3
71.52317	0.3
72.04510	1.0
72.08160	3.4
79.05492	0.4
81.03416	0.3
81.07035	0.5
83.06136	0.3
84.04507	0.5
84.08143	2.1
85.02914	0.3
85.28288	0.2
86.09708	1.5
89.03917	0.2
91.05501	0.3
93.07039	0.4
95.04961	0.4
95.08631	0.3
96.08102	0.4
96.08981	0.2
97.02912	0.2
97.06523	0.6
98.97604	0.3
99.05552	0.3
102.05543	0.3
105.07016	0.3
107.04952	0.4
107.08590	0.2
109.06516	0.3
109.10158	1.2
110.09725	0.5
110.10497	0.7
111.05555	1.5
112.06362	2.9
112.07580	0.9
113.07137	0.6
113.07909	0.2
114.09144	0.4
117.03378	0.6
120.08112	3.6
123.08109	0.2
127.08628	0.2
129.10220	0.5
130.05037	0.2
131.04736	0.2
135.04404	1.1
136.07544	0.8
137.06006	0.2
137.09616	2.5
138.09956	2.5
139.03908	0.4
140.07063	0.5
145.02806	0.9
147.04315	0.2
153.01851	0.2
155.11795	100.0
156.12144	0.6
163.03908	7.8
164.07091	0.2
165.09093	2.6
166.09473	2.9
181.04930	0.5
184.07362	0.4
191.11826	0.5
217.11856	0.3
219.11324	0.6
221.08258	0.3
233.11356	0.4
241.88025	0.2
243.14992	0.5
253.14493	0.2
271.14505	0.3
282.10538	0.4
289.15524	0.8
300.11465	0.5
403.13971	0.4
451.16888	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	450.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.01878	4.9
55.05522	7.4
57.03438	4.2
60.37927	1.6
61.02931	2.4
61.56131	1.7
64.81782	1.5
67.05523	11.4
69.03445	13.5
69.07073	12.3
70.06578	3.9
71.05007	17.0
71.18624	2.9
73.02917	2.3
73.06550	4.3
79.05515	9.3
81.03436	12.3
81.07074	17.5
82.07445	1.7
83.08636	6.2
85.02442	2.2
85.02917	27.4
85.06563	2.1
87.00838	14.6
87.04472	5.0
91.05486	6.2
92.05836	1.7
93.07043	16.3
95.04967	4.1
95.08617	29.2
97.02896	11.5
97.06532	13.7
97.10152	1.8
98.06066	2.1
99.04469	3.6
105.01891	14.2
105.07026	6.4
107.08611	19.6
109.02866	11.2
109.06532	2.6
109.10179	14.4
119.08574	4.3
121.06474	2.3
121.10155	13.3
123.11689	4.9
124.04726	1.5
125.09700	1.8
127.03943	13.9
135.04417	2.1
145.04971	6.3
145.06369	1.5
145.10219	2.2
149.13263	40.5
149.14391	2.6
159.02965	2.1
160.11183	1.6
161.02351	2.3
163.03944	5.0
163.11174	2.2
165.12723	2.5
167.14340	100.0
169.10129	3.2
173.02364	6.0
174.96843	1.7
215.07089	5.1
231.05009	2.1
249.06110	1.7
257.15497	2.2
259.09689	14.6
272.20126	11.5
338.42706	1.6
340.20013	1.8
376.24640	2.0
408.38474	1.6
432.24951	2.8
441.77951	1.8
450.28815	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	451.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55985	1.2
56.96574	10.0
69.94710	5.6
70.98117	5.4
82.10575	1.3
84.96049	2.0
85.02901	1.5
88.99157	2.4
98.20862	2.6
98.97594	21.2
110.97582	5.2
112.99176	1.5
116.98641	3.9
124.95476	4.0
128.98611	3.3
134.99602	1.6
142.96564	2.3
146.99663	3.1
154.96495	3.3
158.99704	3.2
165.00769	2.0
170.96097	2.4
172.94389	2.9
172.97607	5.7
173.01266	1.9
174.99181	3.4
184.97641	2.2
185.06516	1.6
186.99117	2.6
189.00662	2.0
190.98680	5.9
193.00226	1.6
202.98723	2.5
205.00217	2.2
208.96518	1.5
214.95448	4.2
214.98653	3.2
217.00314	1.9
219.01804	4.0
230.98230	2.5
232.96411	1.7
232.99721	4.8
237.02795	2.5
248.99258	3.7
263.00836	4.5
281.01840	4.8
286.97543	2.4
290.99966	1.4
293.05750	1.4
295.06970	1.7
303.00351	2.0
305.01926	3.2
305.11011	3.0
334.99655	1.7
349.00964	1.9
363.02637	2.1
377.00272	1.7
391.02057	3.1
409.03403	3.6
413.67126	1.3
451.04861	100.0
477.33179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01868	1.8
55.05489	0.9
57.03430	4.5
61.02930	5.9
65.03939	2.2
67.05499	4.1
67.80830	0.6
69.03432	12.3
70.06592	3.0
71.04995	1.5
71.30525	1.0
72.08148	2.4
73.02928	1.8
79.05478	1.0
81.03408	4.2
81.07063	2.5
84.04514	1.5
84.08155	1.2
85.02910	60.2
86.02016	0.7
86.09711	3.0
87.04479	1.8
91.03970	3.9
91.05487	100.0
93.07048	0.9
95.04993	1.6
95.08590	1.3
97.02898	34.4
99.04469	2.6
103.03893	0.8
105.07038	0.9
109.02872	4.7
109.10162	10.5
115.03937	3.4
117.07034	1.4
119.08631	0.7
120.08177	0.9
127.03932	14.7
129.07004	1.0
132.03703	0.7
133.06458	1.1
137.09621	24.2
143.03447	1.3
143.08586	1.1
145.04964	28.1
145.06259	1.3
155.10640	0.9
157.06567	1.3
158.02751	0.7
161.04483	3.5
161.05804	0.6
163.06018	13.0
165.09120	32.3
168.85245	0.6
171.08084	1.9
176.09253	0.6
183.10161	1.2
186.02261	0.8
201.11324	1.1
217.08566	3.2
235.09637	2.8
250.77316	0.7
253.10739	2.9
281.10303	3.5
299.11209	2.2
313.48114	0.8
317.11716	1.8
325.11365	1.5
444.61743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14782	2.2
53.03933	6.7
55.01867	7.6
55.05513	29.6
55.09107	2.4
57.03427	8.4
57.07059	8.2
65.03939	4.8
67.05508	65.7
69.03435	16.6
69.07071	43.5
70.06583	9.4
71.04983	6.9
71.52647	2.9
72.08139	2.3
72.21049	2.2
73.02917	2.3
77.03910	2.5
79.05080	3.6
79.05501	42.4
81.03423	28.2
81.07063	100.0
83.04980	8.9
83.08622	18.2
84.04494	2.5
84.08120	2.4
85.02901	11.8
85.06551	30.8
86.09703	21.2
87.00841	4.7
87.20795	2.4
88.03960	2.0
91.05484	50.5
93.07051	43.6
95.04979	15.8
95.08611	38.8
97.02898	12.0
97.06526	12.7
97.10178	14.0
99.08099	8.6
103.91106	2.9
105.01861	4.7
105.07031	44.3
107.04961	17.6
107.08599	39.6
109.02879	5.7
109.06485	6.6
109.10168	43.5
111.08119	3.9
113.09671	2.7
115.05435	3.8
117.07024	23.1
119.08578	44.5
120.08076	13.9
121.06510	23.5
121.08463	3.0
121.10147	21.4
123.04472	3.2
123.08057	5.4
123.11715	16.8
125.05983	8.1
125.09614	18.0
127.03922	10.1
127.11214	7.2
128.06197	3.8
129.07034	15.7
131.08578	43.1
133.06450	6.1
133.10139	42.8
135.08047	8.7
135.11682	16.6
136.07553	2.4
137.09624	8.8
137.13240	3.6
139.11127	3.6
141.06984	7.2
142.07770	6.9
143.07059	8.2
143.08554	25.0
145.05042	5.3
145.06422	4.8
145.10139	37.6
147.04422	3.1
147.08054	10.4
147.11720	15.0
149.09601	7.0
149.13239	7.3
151.07565	3.2
151.11165	8.4
153.09096	5.1
155.08571	17.1
156.09303	3.1
157.06503	2.5
157.10152	36.0
159.08028	4.2
159.11699	31.6
161.06049	3.5
161.08263	2.5
161.09666	9.1
161.13263	9.1
163.07579	3.1
163.11162	7.5
165.06970	2.9
165.09126	8.5
167.08591	7.3
169.10130	18.6
171.08034	3.8
171.11717	20.1
173.09627	3.6
173.13223	16.1
175.07523	2.7
175.11224	7.6
175.14850	6.6
177.12782	4.0
181.04970	5.3
181.10165	12.4
183.11719	18.8
183.85616	2.5
184.07335	6.1
185.09596	3.1
185.13274	15.7
187.11243	4.7
187.14828	7.2
189.09113	7.5
189.11143	3.2
191.10670	4.9
193.10240	2.9
193.12216	7.7
195.11739	7.9
197.09567	2.4
197.13300	17.2
199.09633	5.6
199.11267	4.6
199.14835	13.0
201.12741	3.9
201.14693	3.1
201.16402	4.8
203.14275	2.8
205.12198	5.4
207.11766	3.7
209.13300	13.1
211.11090	3.0
211.14853	21.6
213.12625	3.9
213.16342	6.4
215.14381	5.0
217.12396	3.2
223.14870	5.3
225.12851	3.2
225.16379	12.8
227.10658	3.1
227.14473	3.5
227.17824	3.4
229.15988	5.6
231.13907	2.9
231.17342	3.3
233.15379	5.0
235.14880	3.2
237.16365	4.0
239.12842	7.0
239.17920	5.3
241.19568	2.8
245.15318	2.7
253.15616	3.3
253.19498	3.6
257.15164	2.9
265.19504	3.2
267.15891	3.4
267.21094	2.5
269.19138	2.8
271.16928	9.7
273.18448	3.3
279.17438	3.1
279.21033	4.5
285.18655	3.0
287.20023	3.7
311.20062	5.8
313.18106	3.7
317.06363	3.2
321.18649	4.1
321.22128	5.8
329.21121	12.7
335.27295	12.4
339.19644	19.6
339.23135	4.8
353.28412	9.0
357.20526	27.3
357.24185	4.0
359.27307	6.1
367.30093	4.2
371.29218	2.9
375.21545	5.1
377.28311	19.2
395.24466	3.4
395.29498	51.1
413.22870	4.3
413.24527	4.0
413.30545	50.6
431.24265	38.6
431.31512	91.5
449.14511	5.1
449.25305	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3266
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
55.05510	13.6
57.03439	2.8
57.07066	8.0
65.03955	2.7
67.05510	40.2
69.03419	4.0
69.07070	26.1
70.28525	3.1
70.28923	3.4
79.05497	20.7
81.03400	2.9
81.06594	3.7
81.07062	75.3
83.04976	3.1
83.08609	8.0
85.06549	32.6
86.09701	3.4
91.05489	26.3
93.07049	30.8
95.04990	4.3
95.08611	31.8
97.02858	2.3
97.06535	8.2
97.10184	3.7
99.08097	9.5
105.07034	35.2
107.04975	4.1
107.07962	2.9
107.08606	27.2
109.06535	4.5
109.10163	49.8
109.10889	1.6
111.11732	1.8
113.09647	1.9
115.05424	2.4
117.07017	13.7
119.08585	30.7
120.08098	2.2
121.06487	5.5
121.10142	14.9
123.08097	2.8
123.11731	14.4
125.09642	8.4
125.13360	1.9
127.11172	4.8
129.07010	14.7
131.08583	31.4
133.10129	42.1
135.08034	4.4
135.11723	10.0
137.09650	2.2
137.13289	2.9
139.07552	2.6
139.11185	2.8
141.06973	3.8
142.07845	3.8
143.08589	19.3
145.10133	30.5
147.08061	3.1
147.11720	16.9
149.09660	2.6
149.13260	5.8
151.11197	8.2
153.09140	2.0
155.08563	17.2
157.10129	34.6
159.08107	3.6
159.11697	31.4
161.09621	4.3
161.13258	7.1
163.11249	4.5
163.14705	2.0
167.08600	3.0
168.09344	2.7
169.10146	15.6
171.11690	15.0
173.09586	2.5
173.13245	12.4
175.11195	3.5
175.14830	6.7
177.12901	2.5
181.10182	4.6
182.10902	2.2
183.11679	21.3
185.13257	18.9
187.11133	1.9
187.14761	9.9
189.09142	2.4
189.12689	2.6
189.16412	2.0
191.10519	2.2
193.12401	2.2
195.11649	10.0
197.09540	2.3
197.13310	17.0
199.11218	2.3
199.14819	11.3
201.12781	4.0
201.16420	4.0
207.11699	3.9
209.13310	13.2
209.15022	2.5
210.25211	1.8
211.14833	20.0
213.12773	4.2
213.16399	4.7
215.14363	3.5
217.15913	1.8
223.14825	6.9
225.16391	14.0
227.17934	4.5
231.13705	2.1
235.14830	5.2
237.16360	5.5
239.14232	3.3
239.17923	4.1
241.15923	2.6
243.13672	1.7
243.17365	2.7
245.15462	2.0
251.14386	2.2
251.17847	3.5
253.15726	5.0
253.19478	3.5
259.16904	4.7
261.18478	3.7
265.19345	2.3
267.17557	2.0
269.12857	3.3
271.16946	10.5
271.20212	1.6
273.18411	2.4
279.21039	6.0
285.18509	4.8
287.13837	5.5
287.20032	3.1
289.17978	5.1
293.22528	3.1
321.22174	5.4
325.21359	2.2
327.23163	2.4
333.25693	2.0
335.23776	2.6
335.27347	13.4
339.19482	4.4
339.23193	4.7
345.23938	2.0
349.29022	2.7
351.26859	4.0
353.24622	2.4
353.28415	11.9
357.20462	4.3
357.24310	3.3
359.27246	7.5
367.29919	4.6
369.27716	3.4
371.29651	3.9
377.28439	23.6
395.29428	54.8
413.30499	60.9
431.31619	100.0
449.25818	3.7
449.32178	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3264
Annotation	Igagenin
Peak:m/z	Relative Intensity
53.03944	4.8
55.01877	4.3
55.05515	15.1
57.03431	4.9
57.07067	4.8
59.04992	1.4
65.03934	3.2
67.05508	33.4
69.03434	13.5
69.06731	1.9
69.07073	19.8
69.56092	2.6
69.56509	5.2
70.06599	2.2
71.04996	4.5
79.05495	26.7
81.03421	30.6
81.07062	49.9
83.04993	6.5
83.08606	8.4
85.02915	6.2
85.06546	23.2
86.09692	1.4
91.05481	29.4
92.05846	1.7
93.07050	26.9
95.01469	1.1
95.04991	12.6
95.08617	26.9
97.02906	5.2
97.06522	8.9
97.10187	8.4
99.08102	13.2
105.03419	1.4
105.07034	23.7
107.04963	8.4
107.08597	31.9
109.02913	1.4
109.06532	5.4
109.10162	26.7
111.04458	1.9
111.08096	4.5
115.05455	2.6
115.07569	7.0
117.07030	10.3
119.04999	1.4
119.08582	27.5
120.08133	1.7
121.06524	6.0
121.10146	20.7
123.08059	4.1
123.11699	8.5
125.05988	2.5
125.09634	20.2
127.03979	2.2
127.11213	4.9
128.06229	2.0
129.07005	6.4
130.07791	1.3
131.08574	18.6
132.86139	1.3
133.06511	4.1
133.10152	17.0
135.08064	6.4
135.11688	16.2
137.06015	2.1
137.09630	8.4
137.13263	1.7
139.07559	1.5
139.11189	10.3
141.06992	3.3
142.07820	1.7
143.08595	9.4
145.06493	4.2
145.10141	19.9
147.04451	2.6
147.08061	5.6
147.11711	14.8
149.09676	3.7
149.13252	4.5
151.07558	2.3
151.11189	3.4
153.09140	2.0
155.08600	5.0
157.06490	2.7
157.10172	9.9
159.08061	3.5
159.11671	14.2
161.09650	7.9
161.13249	6.3
163.03912	1.4
163.11230	2.6
163.14832	1.8
165.09129	7.5
165.12837	2.1
166.90257	1.3
167.08592	2.8
169.10152	4.8
171.08040	1.5
171.11607	7.0
173.09644	2.1
173.13309	6.8
175.11195	4.9
175.14827	2.8
177.09109	2.6
177.12782	2.3
181.10065	1.2
183.10176	1.3
183.11662	2.9
185.09651	1.8
185.13290	3.8
187.07320	1.4
187.11180	4.2
187.14774	6.0
189.09154	2.9
189.11240	2.0
189.12773	1.9
189.16405	1.5
191.10654	1.3
193.12254	8.1
195.11612	2.1
196.12381	1.6
197.09676	1.7
197.13263	2.9
199.11258	2.6
199.14876	7.9
201.12733	3.2
201.16380	19.3
203.17999	1.7
205.12215	2.7
209.13463	1.4
211.14847	3.2
213.12817	1.9
213.16414	3.5
215.14383	2.1
215.17944	4.0
219.17514	2.1
225.16406	2.0
227.10632	2.0
227.17953	3.0
229.15926	1.6
239.12715	2.0
241.15996	1.8
241.19495	2.1
243.17554	3.1
247.17096	3.0
259.16830	3.4
261.18427	6.1
265.19394	1.2
267.15869	2.3
273.14816	2.9
281.22610	2.6
287.05609	2.7
289.21503	2.9
299.23645	3.3
305.21185	5.5
311.20078	4.1
313.21368	1.5
315.23203	2.2
317.24860	6.6
321.18420	3.3
327.19485	2.0
329.21170	5.2
331.22791	2.3
335.27316	1.4
339.19608	11.3
353.28363	4.1
357.20569	18.3
357.24481	2.7
367.30130	2.0
371.29486	3.7
375.21762	3.6
377.28345	2.9
385.31079	1.8
395.29327	9.2
413.19220	1.9
413.30508	18.1
431.24408	18.4
431.31564	100.0
432.32095	1.8
449.25311	20.7
449.32443	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	449.3263
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.03926	3.2
55.01872	4.4
55.05513	20.4
57.03427	3.7
57.07070	5.8
57.32879	1.8
59.05008	2.3
63.81229	1.8
65.03940	3.0
65.84431	1.9
67.05511	54.3
69.01231	1.9
69.03426	8.9
69.07076	34.7
71.04996	3.8
73.32285	2.3
79.05498	30.8
81.03418	9.7
81.07062	94.5
83.04971	4.7
83.08619	14.2
85.02872	2.3
85.06543	35.9
91.05482	36.8
93.07045	42.3
95.04973	7.9
95.08611	51.6
97.02895	3.2
97.06507	10.8
97.10168	6.0
99.08097	9.1
103.05475	2.3
105.04479	2.4
105.07034	47.1
107.04935	6.7
107.08588	35.4
109.06528	3.6
109.10166	49.2
111.08092	4.4
113.09724	3.0
117.07009	16.2
119.08573	39.1
121.06518	8.2
121.10140	20.8
123.08057	5.9
123.11729	18.4
125.09631	15.2
127.11204	4.9
128.06201	3.6
129.07019	13.0
129.07791	2.0
130.07794	2.4
131.08568	35.0
131.11996	1.7
133.10141	49.7
135.08072	6.0
135.11688	14.8
137.05977	2.4
137.09639	4.8
137.13246	5.3
139.07513	2.5
139.11183	5.0
141.07001	6.1
142.07822	7.0
143.08586	24.7
145.06514	6.3
145.10132	34.8
147.08040	5.5
147.11699	18.6
149.09653	4.0
149.13284	7.0
151.07513	2.3
151.11174	10.6
155.08578	15.1
156.09360	2.8
157.10146	37.1
159.11713	32.6
161.09578	3.6
161.13283	11.9
163.07541	3.5
163.11241	6.0
163.14871	3.5
165.09137	3.9
165.12770	3.0
165.15794	1.7
167.08578	3.3
168.09280	2.1
169.10158	15.2
171.11713	15.0
173.09686	2.4
173.13255	18.1
175.11221	5.9
175.14854	5.9
177.09100	3.4
177.12764	3.4
177.16386	2.6
179.10709	2.3
181.10135	7.6
182.11061	3.0
183.11662	21.2
185.09653	3.3
185.13272	22.4
187.11188	2.9
187.14870	7.2
189.09132	2.5
189.12761	2.4
189.16400	5.0
191.10683	2.3
193.10158	3.8
193.12181	3.9
195.10164	2.2
195.11589	10.6
196.12415	3.3
197.13278	17.0
199.14890	14.0
201.12804	5.0
201.16359	4.4
203.10739	4.0
203.14406	2.3
203.26689	2.3
207.11737	3.3
207.13675	2.6
209.13338	11.4
211.11227	2.7
211.14839	25.0
213.12766	3.8
213.16319	9.4
215.14355	2.7
217.12350	3.4
217.15860	2.1
221.13252	3.2
223.14804	6.6
225.16409	10.3
227.18019	4.6
229.12108	2.4
231.17337	2.5
237.16362	4.7
239.17819	4.1
241.15829	2.8
243.13910	3.3
243.17641	2.3
245.15370	4.7
251.17952	5.9
253.15868	5.7
253.19502	3.5
257.15283	4.6
259.17010	3.0
261.18576	2.2
265.19492	4.5
267.21423	2.8
269.19131	4.4
271.16949	12.3
273.18591	4.4
279.21051	5.6
283.20370	2.3
287.20001	3.2
289.18057	4.4
293.22369	3.0
309.22314	3.1
311.20026	2.1
313.21747	3.4
321.22055	2.6
327.23233	3.5
327.35315	2.3
335.27313	10.7
339.19415	5.1
339.23145	3.8
351.26678	4.4
353.28464	10.1
357.20474	7.2
357.24335	7.5
359.27347	6.3
367.30099	4.6
369.27551	3.8
377.23935	3.0
377.28375	22.9
395.29483	54.3
413.30530	68.3
431.31686	100.0
432.31744	2.4
449.24454	13.7
449.30502	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	449.2539
Annotation	Leucosesterterpenone
Peak:m/z	Relative Intensity
51.19402	2.1
53.03945	5.4
55.01880	14.7
55.05514	36.4
57.03454	14.5
67.05511	48.5
69.03424	7.5
69.06735	3.1
69.07077	47.9
70.76676	6.1
71.04998	5.8
73.01673	2.0
73.06551	4.3
77.03914	2.9
79.05502	59.8
81.03429	52.9
81.07061	38.3
83.04977	8.1
83.08632	14.7
85.06561	4.7
91.04914	3.0
91.05486	50.8
93.07050	25.9
95.04972	25.7
95.08610	21.3
97.06528	18.2
97.10180	24.6
98.20864	2.4
99.08057	2.2
103.03871	2.4
105.03397	3.5
105.04459	2.1
105.07045	23.7
107.04964	34.8
107.08596	23.3
108.53828	2.2
109.06537	6.6
109.10155	13.6
111.04449	5.7
111.08104	4.4
115.05437	4.0
117.07021	23.7
119.04902	4.0
119.08591	44.8
121.06522	42.4
121.10151	15.8
123.04443	6.6
123.08066	9.0
125.06001	20.8
125.09659	18.8
128.06264	5.6
129.07040	15.8
131.04959	8.0
131.08597	18.7
133.06499	12.6
133.10123	9.7
135.04440	3.3
135.08063	14.5
135.11694	3.2
137.09639	16.9
139.56058	2.0
141.07022	7.7
143.07069	19.6
143.08525	8.1
145.06500	16.9
145.10147	15.5
147.04422	9.3
147.08049	16.0
147.11697	7.4
149.06067	3.7
149.09616	10.0
153.09094	5.2
155.08560	8.0
157.06497	6.4
157.10150	13.4
159.08084	7.2
159.11739	10.8
161.05927	3.2
161.08241	3.2
161.09604	13.0
163.07536	3.2
163.11224	8.2
165.09145	17.9
167.08572	6.7
169.10103	9.3
171.08028	6.2
171.10231	3.1
171.11667	4.5
173.09659	5.8
175.07457	4.6
175.11194	10.4
177.09097	2.4
181.10172	2.9
183.08147	2.1
183.11702	5.4
185.09624	10.2
187.07600	3.4
187.11252	10.3
189.09120	10.4
189.11192	4.7
191.10696	3.6
193.12242	14.7
195.10056	2.5
197.09612	5.1
197.13318	3.5
199.09641	10.9
199.11246	9.7
201.09148	4.0
201.12860	3.8
203.10629	4.7
205.12312	11.7
209.09615	3.4
211.11246	5.1
213.09209	2.3
213.12778	3.1
215.10535	2.5
217.12299	6.3
223.11172	2.2
225.12782	2.7
227.10681	7.7
227.12614	3.9
231.10292	4.1
231.13821	5.6
233.15363	8.2
235.11264	2.6
237.12779	3.1
239.12793	14.5
241.12122	3.1
244.36884	2.5
245.11761	4.3
246.00241	2.4
255.13736	2.6
259.13214	4.2
263.12851	2.8
267.15894	14.2
273.14835	10.0
293.19043	3.4
311.20081	16.6
313.17969	10.4
321.18591	13.8
329.21039	22.3
339.19608	61.5
357.20645	72.2
375.21701	16.2
385.23703	4.6
387.21634	3.4
395.28656	2.5
403.24786	2.6
405.22754	12.1
413.23053	9.7
431.24356	100.0
432.24359	2.4
449.25385	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01880	17.2
55.05274	2.3
55.05517	36.0
57.03437	10.0
65.61556	2.1
67.05511	40.4
69.03432	11.2
69.07073	60.6
70.76818	3.4
71.04978	5.9
72.76231	1.9
73.06558	6.5
76.06671	2.2
76.07081	2.5
79.05501	65.2
81.03425	25.6
81.07066	42.5
81.51290	2.0
83.04977	8.6
83.08237	1.8
83.08633	19.0
85.06555	3.7
91.05487	51.3
93.07059	29.8
95.04971	25.0
95.08611	23.0
97.06540	22.9
97.10171	28.9
98.21539	2.1
103.05445	2.3
105.07022	23.5
107.04967	40.3
107.08593	24.6
109.02878	2.9
109.06510	8.6
109.10175	10.3
111.04485	2.3
111.08128	3.2
113.06049	2.1
115.05473	5.4
115.07538	2.7
117.07027	22.2
119.04951	4.8
119.07718	3.0
119.08581	56.6
119.09377	4.1
121.06506	27.4
121.10145	12.8
123.04435	8.4
123.08058	9.6
125.02354	5.3
125.06000	19.0
125.09617	22.8
128.06261	4.1
129.07033	18.9
131.04909	6.5
131.08549	19.5
133.06502	12.7
133.10138	9.2
135.04387	2.6
135.08055	14.9
135.11679	4.8
137.06044	2.2
137.09645	14.5
139.11247	2.6
140.06424	1.9
141.07021	9.0
142.07761	3.7
143.07043	22.7
143.08577	12.3
145.06496	18.6
145.10146	10.9
147.04413	20.3
147.08066	18.4
147.11742	6.1
149.05922	2.5
149.09598	7.2
151.07550	4.5
153.09143	9.6
155.08543	6.2
157.06508	7.9
157.10143	14.5
159.08051	7.6
159.11726	11.1
161.06024	5.6
161.08246	3.7
161.09624	13.8
162.68268	2.5
163.07567	2.8
163.11192	8.2
165.09134	15.4
167.08575	6.4
167.54306	2.1
167.69046	1.9
169.10185	9.9
171.08057	6.8
171.10118	3.3
171.11642	6.8
173.09669	4.9
175.07520	3.9
175.11188	6.3
177.09183	3.4
181.10127	5.0
183.11662	4.0
185.09641	10.9
185.13272	3.6
187.11148	11.0
189.09120	10.2
189.11234	8.9
189.12801	4.7
191.10527	2.8
192.83626	2.1
193.12274	13.4
195.08162	4.5
195.10168	4.8
197.09641	6.0
197.13281	2.8
199.09570	3.8
199.11189	10.7
201.12762	3.6
203.10794	5.2
203.14293	2.1
205.12262	7.8
209.09666	4.3
209.13181	2.5
211.11220	3.3
213.09207	2.3
213.11127	3.7
213.12926	4.3
215.14279	3.1
217.12248	4.1
221.11540	2.6
223.13188	3.5
227.10712	15.7
227.14456	3.3
231.10152	4.2
231.13846	4.0
233.15410	7.3
235.13225	3.4
237.12914	2.5
239.12784	3.7
241.12268	4.9
243.14021	2.4
245.11755	7.2
249.14857	3.4
255.13861	4.9
259.13336	5.3
267.15921	3.4
273.14828	11.1
293.18964	4.3
303.17398	7.2
311.20087	23.4
313.21548	2.5
319.15698	2.4
321.18469	20.5
329.17529	2.9
329.21146	38.0
333.16739	3.3
339.15439	4.3
339.19574	79.8
340.19852	2.0
357.20633	100.0
375.21594	13.7
385.23685	4.5
413.23154	13.5
431.24335	98.1
449.25342	73.5
449.31259	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	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.80475	0.1
54.46556	0.2
55.01868	0.5
55.05513	0.2
57.03424	0.6
61.02931	5.9
67.05495	0.5
68.99812	0.5
69.03431	1.3
69.07034	0.3
69.37406	1.3
70.06589	0.4
71.04987	0.4
72.08141	0.3
73.02924	1.2
79.05488	0.6
81.03406	0.6
81.07052	0.5
85.02911	5.7
86.09718	0.8
91.03961	3.4
91.05487	0.4
93.07053	0.4
95.04978	0.3
97.02303	0.3
97.02897	3.3
97.06533	1.6
99.04472	0.4
105.03399	0.5
105.07051	0.4
107.04953	0.5
109.02857	0.5
109.10138	0.4
111.00822	0.8
115.03927	0.4
119.08575	0.3
121.02885	2.9
121.03743	0.3
121.06506	0.2
127.03904	0.7
129.06982	0.3
130.06497	0.3
133.02881	0.4
135.04449	0.2
135.08093	0.3
137.02333	0.8
137.09579	0.6
142.64357	0.2
145.04959	0.7
145.06459	0.2
147.04416	0.6
153.01834	3.7
153.03017	0.3
157.06485	0.6
158.06047	0.2
163.11189	0.2
165.01846	1.8
165.09129	0.7
172.48032	0.2
183.02887	0.8
185.05922	0.3
194.02321	0.2
195.13826	0.7
213.05469	1.3
213.14911	0.2
231.06552	0.8
241.04936	0.9
258.05283	1.2
259.06061	0.5
287.05511	100.0
287.18393	1.6
288.05829	1.4
431.24588	0.2
449.18866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2538
Annotation	Leucosesterterpenone
Peak:m/z	Relative Intensity
51.64902	2.8
51.66892	2.0
53.03952	7.0
54.54667	2.2
55.01877	18.0
55.05270	3.0
55.05515	36.9
57.03440	11.2
65.03951	2.7
67.05180	3.6
67.05508	47.9
69.03436	13.6
69.07069	48.3
69.67432	9.4
70.06601	5.6
71.04992	6.5
73.06554	3.2
79.05493	67.2
81.03419	42.7
81.07057	39.4
83.04985	8.9
83.08619	16.9
84.08149	3.4
85.02904	5.5
85.06545	6.9
86.09703	8.2
91.05488	58.4
93.07053	31.7
94.19547	2.1
95.04971	29.0
95.08610	26.6
97.02903	4.5
97.06538	23.5
97.10170	27.1
98.21478	4.5
99.08057	3.1
103.05431	3.7
104.10764	2.6
105.07052	22.2
107.04974	42.5
107.08616	25.5
109.02890	3.1
109.06519	10.1
109.10151	11.5
111.04441	3.6
111.08111	7.0
115.05462	6.3
115.07553	2.9
117.07047	21.7
119.04944	5.6
119.08584	47.3
120.08082	4.4
121.02899	2.6
121.06506	34.5
121.10153	16.8
123.04434	7.9
123.08099	5.2
125.02380	3.9
125.06004	14.5
125.09637	25.7
127.04039	2.1
128.06224	4.2
129.06999	14.3
131.04916	5.0
131.08588	18.8
131.38539	2.1
133.06479	13.3
133.10143	9.0
135.04367	3.5
135.08066	19.8
135.11681	3.8
137.09631	16.1
141.07002	7.5
142.07780	2.9
143.07039	20.8
143.08521	10.3
145.06474	16.0
145.10147	12.8
147.04430	10.9
147.08060	22.4
147.11678	8.8
149.06027	4.0
149.09660	9.2
153.09113	9.2
155.08563	5.5
157.06482	9.4
157.10124	13.0
159.08101	7.1
159.11746	7.8
161.06038	4.0
161.08354	3.5
161.09587	14.2
163.07593	2.7
163.11166	12.0
165.09093	16.7
167.08592	6.3
169.10164	8.4
171.08076	8.9
171.11719	4.3
173.09650	6.5
175.07527	3.1
175.11220	8.0
177.09085	4.4
177.12772	2.7
181.10143	5.0
183.08130	2.9
183.11729	7.0
185.09731	12.1
185.11664	2.8
185.13272	7.3
187.07520	2.7
187.11256	11.3
189.09166	8.2
189.11263	9.8
189.12761	4.9
191.10712	15.0
193.12207	14.6
195.08168	3.8
195.10071	4.1
195.11723	2.7
197.09686	5.9
197.13202	2.9
199.09637	7.5
199.11252	12.3
199.14850	2.6
201.09105	2.3
201.12686	2.9
203.10690	8.6
205.12271	7.9
207.11702	3.3
209.09583	5.6
209.13206	2.9
211.11250	4.4
213.11110	3.2
213.12906	2.9
217.12198	3.6
221.11652	5.5
227.10747	10.2
227.12654	4.8
229.12328	2.8
231.10123	3.1
231.13818	5.3
233.15388	4.9
237.12634	2.9
239.12805	8.0
241.12160	2.4
245.11703	6.1
249.14827	3.6
254.68144	2.5
259.13293	7.2
259.15503	7.0
263.13052	2.9
267.15872	10.7
273.14923	7.5
293.18973	3.2
303.17545	3.6
311.20135	18.2
313.18167	3.3
317.06522	34.0
321.18527	15.9
329.21140	26.6
333.16919	3.0
339.19583	69.8
357.20596	76.1
375.21765	18.4
385.23874	4.9
395.29437	2.2
403.24835	4.2
405.22681	4.1
413.23358	7.5
431.24350	100.0
432.24722	3.8
449.25391	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-O-glucoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.01871	0.5
55.05502	1.1
56.05033	0.3
57.03426	0.7
57.07063	0.2
59.10410	0.2
61.02930	5.6
65.03940	0.2
67.05494	0.7
68.99794	0.6
69.03430	1.6
69.07072	3.9
69.30846	1.9
70.06594	3.7
71.04992	0.4
72.08165	1.9
73.02914	1.7
74.06060	0.2
79.05492	0.8
81.03428	1.1
81.07061	0.7
83.05005	0.3
83.08622	0.2
84.04505	0.8
84.08139	1.1
85.02911	6.7
85.06502	0.2
86.09709	2.0
87.04456	0.4
91.03954	2.9
91.05482	0.9
93.07032	1.0
95.04955	0.4
95.06103	0.3
95.08614	1.0
97.02889	3.6
97.06516	0.6
98.98444	0.3
99.04450	0.5
102.05537	0.3
105.03436	0.3
105.07012	0.3
107.04955	0.6
107.08561	0.4
109.02864	0.9
109.10158	0.8
110.07198	0.3
111.00795	0.8
111.11690	0.3
116.07096	0.3
119.08607	0.3
120.08105	0.7
121.02878	4.1
121.06463	0.4
121.10173	0.7
126.64101	0.2
127.03901	1.0
129.10239	0.6
133.02853	0.6
133.10181	0.3
135.04375	0.4
135.11713	0.3
136.07545	0.3
137.02354	1.2
137.09621	1.0
139.11235	0.4
141.01842	0.2
145.04976	1.0
145.06131	0.2
147.04395	1.9
148.04741	0.9
151.03879	0.3
153.01846	3.8
157.06425	0.3
161.05969	0.3
162.09166	0.3
165.01819	2.6
165.09132	1.2
167.03468	0.3
171.04379	0.4
175.11427	0.5
183.02872	1.2
185.05943	0.7
203.11014	5.7
213.05460	1.5
229.04883	0.3
231.06430	1.1
241.04993	0.9
258.05322	1.2
259.05966	0.3
269.09256	0.3
277.14734	2.3
283.06067	0.6
286.04733	0.5
287.05508	100.0
288.05936	1.1
297.07455	0.4
299.05527	7.7
300.06253	0.9
311.05652	1.4
313.07040	0.5
325.07025	1.5
329.06558	6.2
337.06998	0.3
339.08636	1.4
342.10965	0.2
353.06549	3.1
359.07635	0.3
365.06573	0.7
367.08087	0.3
371.12152	0.2
377.06528	0.4
383.07712	1.3
395.07846	1.4
413.08740	1.6
431.09854	2.0
449.10867	2.5
449.20697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03947	0.4
55.01863	0.2
57.03430	0.6
57.04330	0.1
58.29659	0.2
61.02932	5.9
64.97237	0.1
67.05494	0.2
68.99789	0.7
69.03430	1.3
69.31407	1.3
70.06587	0.8
72.08141	0.4
73.02920	1.7
79.05502	0.2
81.03412	0.6
81.07056	0.1
81.37045	0.1
83.97742	0.1
84.04501	0.2
84.08157	0.5
85.02911	6.4
86.09692	0.3
87.04468	0.2
91.03966	3.3
91.05455	0.2
97.02905	3.3
98.20792	0.3
99.04458	0.3
105.03394	0.4
107.04957	0.4
109.02892	0.7
111.00822	0.7
115.03879	0.3
117.99246	0.1
121.02880	3.4
121.06509	0.2
127.03909	1.1
129.07019	0.2
133.02890	0.4
135.04390	0.2
137.02367	0.8
140.21179	0.2
145.04970	0.9
147.04366	0.7
153.01836	4.1
153.03015	0.3
157.06491	0.3
165.01849	2.0
171.04366	0.3
183.02901	0.6
185.06020	0.5
191.38200	0.1
197.05963	0.3
213.05435	1.3
229.04985	0.3
231.06563	0.8
241.04984	0.8
258.05264	1.3
259.06155	0.5
269.04446	0.2
269.12857	0.2
286.04910	0.3
287.05515	100.0
288.05893	1.1
299.05566	1.6
300.06216	0.2
303.04947	1.0
311.05585	0.4
313.07083	0.2
324.06348	0.2
325.06796	0.3
329.06503	1.6
339.08731	0.2
353.06638	1.2
365.06332	0.2
377.06879	0.2
383.07745	0.2
413.08429	0.3
431.09595	0.6
449.10785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01499	0.2
53.03939	0.3
54.01665	0.1
54.58308	0.2
55.01870	0.6
55.05499	0.7
57.03426	0.8
61.02931	6.8
64.36488	0.1
65.03928	0.2
67.05503	0.6
68.99797	0.7
69.03436	1.5
69.07069	0.3
70.06601	1.7
70.44369	0.4
71.01334	0.2
71.05006	1.0
72.08159	0.9
73.02921	2.0
73.89800	0.1
75.46190	0.2
79.05503	0.9
81.03408	0.7
81.07047	0.6
83.04976	0.2
83.06096	0.2
83.08611	0.3
84.04472	0.3
84.08142	0.8
85.02910	6.5
85.06532	0.2
86.09721	0.9
87.04452	0.3
91.03960	3.5
91.05483	0.4
93.07050	0.6
95.04958	0.5
95.08617	0.4
97.02908	3.3
97.06541	3.3
97.10174	0.3
99.04454	0.4
100.47176	0.2
101.02358	0.2
103.05521	0.2
105.03377	0.5
105.07026	0.5
107.04955	0.7
107.08580	0.5
109.02879	0.6
109.06495	0.2
109.10136	0.6
111.00792	0.8
111.08089	0.2
115.03937	0.4
117.07050	0.2
119.04986	0.2
119.08580	0.5
120.08085	0.4
121.02876	3.5
121.10141	0.3
125.09637	0.2
127.03896	0.8
129.07027	0.2
129.10271	0.2
130.06439	0.2
131.08562	0.3
132.81195	0.2
133.02856	0.5
133.10141	0.3
135.04337	0.2
136.07565	0.2
137.02367	0.8
137.09650	0.5
145.04976	0.7
145.06503	0.3
147.04402	0.7
153.01842	3.8
157.06473	0.4
159.11681	0.2
161.05939	0.2
165.01875	1.9
165.09113	0.6
166.02512	0.2
171.04462	0.4
171.97131	0.2
183.02890	0.7
184.07330	0.3
185.05954	0.3
189.05441	0.3
195.13797	0.9
203.07109	0.2
213.05499	1.5
213.14883	0.6
229.04745	0.2
231.06528	0.7
241.04955	1.0
246.15009	0.3
258.05264	1.0
259.06049	0.4
269.17480	0.9
287.05515	100.0
287.18463	2.9
288.05841	1.9
299.05551	1.2
329.06628	0.7
341.51382	0.2
353.06616	0.5
413.21506	0.2
449.10339	0.3
466.01196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01866	1.3
55.05513	7.3
56.05023	4.3
57.03414	1.7
57.07068	2.4
60.04531	67.8
62.01848	0.9
66.30043	0.9
67.05511	10.8
69.03445	1.0
69.07074	10.4
70.06582	2.5
71.05003	10.3
71.08619	1.6
71.47809	1.3
72.04528	1.9
74.06065	1.6
79.05492	9.1
80.05024	2.3
81.03415	13.1
81.07060	14.5
82.06577	1.4
83.08623	5.1
85.02885	2.9
85.06540	4.9
86.06058	1.8
88.07629	3.9
89.76099	0.9
90.05548	1.3
91.05489	4.0
93.06542	1.2
93.07047	7.9
94.06575	6.1
95.04960	3.0
95.08612	18.5
96.08125	1.7
97.06541	9.4
97.10157	3.8
98.06042	3.1
99.08084	4.0
105.07031	6.2
110.09677	3.1
111.08073	5.8
112.11241	2.0
114.09175	1.0
119.08461	1.0
122.09010	0.9
122.09686	10.4
123.07208	1.7
123.08074	24.5
128.10727	11.7
140.10709	85.8
141.09117	9.7
146.04088	1.0
158.11752	10.8
176.12822	12.4
194.13765	2.0
219.06438	3.2
256.26532	1.3
272.14954	1.0
272.25879	6.8
314.26810	3.0
394.33206	5.5
403.33356	1.2
412.34250	36.8
430.35312	100.0
431.35620	2.3
448.30612	2.6
448.36237	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	448.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.2
55.05506	6.3
55.14679	1.9
56.05019	3.3
57.03427	5.6
61.02923	3.6
62.06097	11.5
67.05507	12.4
69.03417	18.5
69.07055	7.6
69.82598	6.9
69.83015	4.2
70.06602	16.1
71.04982	13.7
71.06944	2.1
72.08151	11.2
78.51294	1.7
79.05510	17.7
81.03413	8.6
81.07047	16.0
83.04970	3.6
84.04489	6.8
84.08125	9.0
85.02916	33.1
85.06535	2.2
86.09716	15.5
91.05484	16.6
93.07053	29.2
95.04980	4.2
95.08615	23.4
97.02879	5.8
97.06527	4.1
98.97552	2.2
99.04470	12.2
102.05540	2.7
105.07034	36.1
107.04948	2.6
107.08606	22.7
109.02892	3.3
109.06545	2.6
109.10110	5.7
109.44430	2.0
111.08115	2.8
116.07060	3.1
117.07020	12.6
119.04920	3.0
119.08609	18.3
121.06516	6.3
121.10154	6.7
123.08070	7.8
125.09644	2.4
127.03912	4.7
128.06224	3.3
129.07018	9.7
129.10242	3.1
131.08566	28.2
133.10123	16.4
135.08043	5.8
135.11716	17.9
141.06990	2.8
142.07822	3.5
143.08583	12.7
145.04916	4.3
145.10129	30.3
147.04387	5.0
147.08017	9.0
147.11697	9.1
149.09621	5.8
149.13203	2.1
153.06880	2.2
153.12758	7.8
155.08563	16.4
157.10110	12.0
159.08034	6.0
159.11693	13.2
163.11179	4.6
165.12718	2.6
166.05373	2.2
169.10092	9.1
171.11685	10.2
173.09624	6.6
173.13216	9.0
175.11176	17.6
177.12843	2.6
182.10938	2.7
185.13228	6.5
187.11230	2.8
187.14844	32.1
189.12700	8.5
191.14227	2.4
193.12242	12.8
194.12521	2.7
197.13261	24.5
201.16722	2.1
203.14323	9.0
205.15918	6.3
207.13779	7.8
215.14316	56.4
221.15413	5.7
233.15392	60.1
251.16441	100.0
278.61624	2.0
286.10672	3.5
289.13892	2.5
340.69946	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	448.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.8
56.96572	1.3
58.06600	1.5
60.04526	9.0
67.34057	0.7
69.07076	6.1
70.02946	1.8
70.06596	3.3
71.12669	1.5
72.08170	3.4
74.06087	16.1
81.47317	0.8
84.04491	8.2
84.08147	2.5
85.02912	0.9
86.09713	100.0
87.05608	1.0
88.07671	1.2
88.11282	0.8
89.07158	0.8
89.50460	0.7
97.02923	1.3
98.06061	9.0
98.97572	1.3
102.05556	3.0
114.09203	0.9
115.08737	1.1
116.07095	26.5
120.04493	1.1
120.08105	4.3
125.07131	2.3
126.05519	3.8
128.98546	1.0
129.10234	1.1
130.05005	1.0
132.04431	1.0
135.04477	0.9
143.08170	12.5
147.04372	0.8
151.06241	0.9
153.06604	0.9
157.13373	52.1
159.07608	3.8
161.09222	14.1
163.03912	1.8
166.08658	3.2
171.07669	5.6
177.08701	12.0
183.11339	1.4
185.12872	25.1
187.07175	3.9
189.08716	29.2
201.12431	1.2
227.13986	0.9
228.09795	14.5
237.02803	1.2
246.10869	16.3
246.13589	1.0
246.14499	1.3
254.15060	3.1
259.11948	4.3
264.11920	27.8
272.16074	11.4
302.12555	2.0
309.08704	0.7
310.17767	2.2
337.18829	1.3
355.19754	9.8
387.18408	1.1
394.20694	1.3
406.17581	1.1
412.22009	10.8
430.23117	3.6
448.18915	3.9
448.23462	1.2
448.24634	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3836
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
50.30817	4.4
55.05515	49.5
57.06837	5.6
57.07081	74.6
67.05504	4.7
69.07076	100.0
71.08641	61.1
81.07042	11.5
83.08622	66.4
84.95099	4.7
85.10191	33.5
87.17016	4.4
93.07021	6.7
95.08622	8.9
97.10185	64.1
99.11715	5.7
107.08595	8.6
108.64018	5.1
111.11736	50.1
116.88807	4.5
121.10197	4.1
123.08108	4.8
125.13264	13.7
134.57381	4.3
135.08051	13.3
137.09612	9.7
139.07556	24.1
149.02353	71.5
149.09616	15.0
151.07545	16.2
153.09093	14.7
165.09138	66.1
167.03476	5.4
167.07091	5.0
169.08664	8.7
177.09138	11.4
179.10701	5.4
181.08595	32.0
191.10773	9.8
205.12262	8.0
292.40027	5.4
339.62885	4.9
429.37207	24.1
430.38269	5.7
447.27881	5.1
447.38388	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.3
59.21661	0.4
60.05639	0.8
70.06568	0.6
71.39036	0.5
72.08129	0.5
79.05459	0.4
83.06080	1.5
84.08136	0.4
86.09713	0.7
92.04981	0.5
95.06042	0.6
96.41661	0.3
97.07597	0.5
99.05569	0.4
102.17072	0.3
105.03405	2.2
105.05775	1.0
106.06538	1.5
111.05573	5.0
113.07123	0.7
120.04474	11.9
123.05565	0.9
126.05782	0.7
126.06642	8.2
127.07390	0.4
130.06541	0.3
132.04460	17.6
133.05174	0.4
134.06020	7.3
135.05360	0.4
137.04672	1.2
137.09610	0.4
140.08127	0.9
145.03909	0.6
146.02364	0.8
147.05533	0.4
149.07149	0.5
151.06158	7.4
158.06065	0.3
159.05540	0.4
162.06609	0.6
165.09070	2.0
168.08821	2.4
174.06567	0.4
185.07155	0.5
202.09749	12.4
214.09688	0.5
216.11314	2.8
230.09267	7.9
231.12457	0.8
232.10846	3.7
242.09291	3.1
257.10339	5.0
258.13373	0.4
259.11917	72.9
260.12241	0.7
277.12988	2.4
284.08279	0.4
284.11401	7.9
301.14081	7.4
301.17206	0.7
302.12488	25.5
319.15118	1.7
335.66833	0.4
362.18250	1.0
406.17215	12.4
406.22507	0.7
413.15686	0.6
430.18384	1.1
431.16800	1.1
448.19412	100.0
449.19720	1.8
460.38800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3111
Annotation	Tupichigenin E
Peak:m/z	Relative Intensity
53.03945	2.4
55.01874	4.2
55.05515	13.5
57.03441	4.1
57.07071	4.9
61.91569	1.1
63.58991	1.0
65.03938	1.8
67.05511	31.7
69.03436	11.4
69.07072	17.6
69.77546	5.5
70.06596	1.7
71.04999	2.6
73.27143	1.1
79.05497	25.2
81.03422	19.5
81.07060	45.9
83.04980	5.0
83.08624	7.9
85.02878	1.8
85.06076	1.9
85.06549	21.6
91.05484	25.0
93.06478	2.2
93.07054	28.6
95.04966	7.9
95.08608	22.2
96.08115	1.4
97.02909	2.6
97.06548	9.0
97.10186	3.5
99.04476	2.4
99.08108	12.8
103.05477	1.8
105.04530	1.2
105.07039	25.6
107.04983	5.8
107.08608	23.7
109.02892	1.7
109.06535	4.5
109.10162	22.5
111.08076	2.9
113.09644	1.1
113.79313	1.2
115.05485	2.4
115.07568	5.8
117.07017	11.3
119.07311	1.9
119.08598	19.3
120.08112	4.2
121.02902	1.2
121.06537	5.5
121.10139	11.1
123.04413	2.0
123.08058	2.9
123.11691	5.8
124.07589	2.7
125.09641	16.8
127.11202	3.6
128.06233	1.8
129.07021	8.3
131.04910	1.8
131.08577	13.8
133.06519	3.5
133.10129	21.6
135.04462	1.3
135.08058	5.2
135.11691	11.8
137.05971	1.6
137.09608	4.1
137.13248	1.1
139.11192	14.5
141.07018	4.0
142.07777	3.9
143.08562	17.1
145.06502	1.7
145.10136	19.4
146.06004	1.7
147.04446	1.7
147.06931	2.1
147.08080	4.4
147.11717	11.2
148.07539	4.0
148.08591	1.0
149.05946	1.3
149.09666	3.3
149.13248	2.9
151.07539	2.0
151.11160	5.6
153.07065	1.6
155.08542	9.3
156.09355	1.4
157.10155	18.7
157.11353	2.1
159.04460	1.5
159.08078	2.1
159.11703	15.2
161.06006	2.5
161.09636	3.3
161.13268	10.0
163.03990	5.9
163.07607	3.3
163.11192	10.3
163.14870	1.7
165.09146	4.3
165.12836	2.2
166.07837	1.4
167.08562	2.3
169.10136	9.0
171.08084	1.9
171.10460	1.2
171.11711	7.2
173.02303	2.0
173.06070	1.8
173.09602	2.2
173.13223	6.0
175.11206	3.6
175.14856	2.7
176.07106	1.5
177.12743	1.3
179.08572	2.4
181.10170	5.1
181.12137	1.1
182.10954	2.1
183.08025	1.6
183.10251	1.5
183.11708	9.4
185.09537	1.5
185.13274	6.8
187.03978	1.9
187.11220	1.2
187.14893	2.1
191.10562	1.4
193.10057	1.8
193.12274	3.1
194.10989	1.4
195.11714	5.9
197.13304	10.0
199.11194	2.0
199.14862	23.8
201.12747	2.8
203.10686	2.5
203.14377	1.8
205.12228	1.5
207.11719	4.0
209.13345	8.0
211.11288	1.2
211.14780	4.0
213.05528	2.9
213.16370	5.5
215.10756	1.4
215.14343	2.4
215.17931	1.2
217.12271	1.5
217.15907	1.6
223.02637	1.2
223.14803	5.2
225.08894	1.2
225.16393	4.4
227.12715	12.3
227.17859	1.6
229.15910	1.1
231.13867	1.5
235.14865	1.4
237.16418	2.7
239.18071	2.2
241.15945	4.1
243.17580	1.3
245.15355	1.6
249.16518	1.4
251.17873	1.7
253.19496	1.2
255.21158	3.4
257.12927	6.7
257.15201	1.7
259.14246	1.0
259.16974	7.0
259.20761	1.1
261.11020	1.3
267.13757	2.6
269.15381	4.1
271.17007	1.5
272.15067	3.0
273.19119	1.4
273.22165	8.9
277.21869	1.2
279.17609	1.1
279.21109	3.7
285.18646	1.9
285.22543	1.3
297.19113	1.9
297.22064	8.6
303.19571	4.0
305.17407	2.2
309.18512	1.2
311.12784	2.1
311.16443	1.8
311.20010	1.3
313.21555	1.9
315.23096	6.4
322.09280	1.8
324.10941	1.9
327.15842	1.3
327.19608	1.8
329.21140	2.6
333.25848	1.8
335.23663	1.8
337.14374	1.4
337.18066	2.4
337.21814	1.4
351.26816	3.0
355.15332	4.9
355.19116	9.6
365.28275	1.7
369.27795	2.4
373.20084	1.6
375.26865	4.0
383.29663	1.6
393.27802	11.9
411.28943	20.7
429.23090	6.6
429.30035	100.0
430.30322	2.8
447.10696	1.4
447.18359	2.6
447.23749	16.7
447.30780	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	447.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29159	1.2
52.01801	1.3
53.03937	3.3
55.01875	7.4
55.05515	21.7
57.03435	6.2
57.07073	6.3
65.03940	4.9
67.05509	42.9
69.03436	13.8
69.07079	22.9
69.98364	5.7
70.18896	1.2
71.04994	3.9
75.09418	1.3
77.70244	1.3
79.05501	42.5
81.03429	18.1
81.07061	65.1
83.04988	7.1
83.06132	1.3
83.08624	11.9
85.06554	35.0
91.05483	33.3
91.06023	2.5
93.07051	28.5
95.04976	10.3
95.08609	26.4
97.02903	4.4
97.06547	10.6
97.10167	8.2
98.21445	1.6
99.08108	16.5
103.05467	2.2
104.65933	1.4
105.04509	2.4
105.07040	35.4
107.04950	9.7
107.08603	23.9
109.02890	4.9
109.06511	6.6
109.10169	31.9
111.08086	3.5
114.01891	1.7
115.05464	4.6
115.07567	5.3
117.07031	19.7
119.04935	2.8
119.08588	22.5
121.02819	1.9
121.06523	9.3
121.10171	12.4
123.04415	3.1
123.08064	3.7
123.11732	6.4
125.02381	6.9
125.05994	2.3
125.09640	27.7
125.10551	1.4
125.13275	1.9
127.11201	5.0
128.06258	2.4
129.07018	14.9
130.07819	1.7
131.04924	4.3
131.08575	24.5
133.06517	8.0
133.10150	23.4
135.04449	2.9
135.08078	13.3
135.11717	9.8
137.05995	2.1
137.09653	4.9
139.03906	2.7
139.11201	9.1
141.06984	6.1
142.07776	4.9
143.07043	2.0
143.07411	2.0
143.08557	17.1
145.06508	8.3
145.10135	19.1
147.04390	4.1
147.08063	7.0
147.11723	10.5
149.02348	22.3
149.03464	2.5
149.05968	3.4
149.09616	6.8
149.13277	2.5
151.07552	2.1
151.11194	3.9
154.07750	1.6
155.08592	12.0
156.09372	2.0
157.06535	3.7
157.10136	26.8
159.04457	3.1
159.08073	4.9
159.11691	13.8
160.05212	2.7
161.02338	2.8
161.06046	8.5
161.09625	5.9
161.13271	4.6
163.03908	7.0
163.07576	5.1
163.11208	6.6
165.07074	2.0
165.09105	2.5
165.12753	1.5
167.08549	5.0
168.09276	1.4
169.10158	9.6
171.08051	4.8
171.11679	9.7
173.02374	3.6
173.06007	4.5
173.09619	6.9
173.13312	4.4
175.07587	3.9
175.11143	6.5
177.09064	4.2
177.12677	1.7
179.08644	2.3
180.09355	1.6
181.08650	3.1
181.10143	7.2
183.08080	5.0
183.11681	11.7
185.05989	2.1
185.09645	5.2
185.13193	7.8
187.03947	3.8
187.07603	1.9
187.11194	4.1
187.14816	3.3
189.09111	2.1
189.11273	2.3
189.12831	1.6
191.10696	4.3
193.04976	19.3
193.10213	2.8
193.12268	3.6
195.08092	1.5
195.11609	6.6
197.09631	4.8
197.13255	12.7
199.07506	1.6
199.11150	3.2
199.14833	30.0
201.09119	1.7
201.12755	3.4
201.16385	1.5
203.10658	3.7
207.11720	4.0
209.09706	1.5
209.13251	7.8
211.07550	2.0
211.11281	1.8
211.14830	8.0
213.05469	3.4
213.09059	1.9
213.12796	3.0
213.16415	5.0
215.10692	3.4
215.14372	3.2
217.12408	2.3
217.15894	2.7
219.11809	1.8
221.09669	2.0
221.13306	2.2
223.14839	5.9
225.09132	3.4
225.16435	3.9
227.10715	2.4
227.12630	2.1
229.08640	1.8
229.12276	2.7
237.07588	11.1
237.16418	3.4
239.17969	1.7
241.12294	1.7
241.15894	4.0
243.10252	7.4
243.13844	3.7
245.15492	1.5
247.75673	1.5
251.17990	2.7
253.19501	4.0
255.17448	1.7
257.15469	2.8
259.13449	1.7
259.16995	7.9
261.11154	2.2
262.65598	1.7
263.17993	2.5
267.13809	4.4
269.15359	3.2
271.13330	2.0
273.18509	1.9
275.16211	2.2
279.21170	3.8
287.16403	2.7
289.14352	5.9
297.22064	4.9
303.19534	4.0
305.17471	2.5
309.18542	4.9
311.16476	1.9
311.20120	1.8
315.22958	6.4
327.16147	1.5
327.19730	7.1
327.23132	2.1
329.21109	4.1
333.25839	2.0
337.14642	2.2
337.17978	8.4
351.26831	3.1
355.15231	6.4
355.19055	54.0
355.22647	3.2
359.07498	1.6
369.27838	3.8
373.20065	7.5
375.26559	1.9
381.28375	1.8
382.10883	1.5
383.29211	3.5
393.20544	2.2
393.27905	12.7
403.20844	1.6
411.21957	4.4
411.28915	30.2
414.07333	1.8
429.11771	4.0
429.22833	27.5
429.29987	100.0
430.30566	1.7
447.23724	57.0
447.30920	21.5
448.30627	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	447.3108
Annotation	Tupichigenin E
Peak:m/z	Relative Intensity
53.03950	2.0
55.01865	1.6
55.05513	9.5
57.03436	2.5
57.07088	5.1
66.91604	1.1
67.05511	27.4
69.03431	13.3
69.07076	12.5
70.06612	4.3
71.05001	2.4
71.08636	1.1
71.38016	1.4
75.85006	1.0
79.05499	14.1
81.03426	7.6
81.07062	40.2
83.05000	2.4
83.08624	4.2
85.02920	1.3
85.06552	25.9
91.05490	14.1
93.07054	18.0
95.04973	4.5
95.08617	14.2
97.02914	1.2
97.06537	6.1
97.10175	3.6
99.08097	13.2
100.46394	0.9
103.05489	1.4
105.07035	18.9
107.04961	2.6
107.08598	12.5
109.06530	2.8
109.10173	21.8
111.04419	1.5
111.08080	2.3
115.05445	1.7
115.07577	3.3
117.07033	9.1
119.08583	13.9
120.08083	4.3
121.06519	2.6
121.10175	9.8
123.08073	3.3
123.11722	6.6
125.06001	1.3
125.09644	16.9
127.11216	4.4
128.06198	1.6
129.07031	6.0
130.07790	1.3
131.08580	12.8
133.06534	1.1
133.10139	17.3
135.08043	3.5
135.11720	6.0
137.09642	2.4
137.13240	1.3
139.07629	1.0
139.11188	12.4
141.06999	2.4
142.07809	2.4
143.08560	13.0
145.06516	1.4
145.10135	12.9
147.08063	2.1
147.11667	7.2
149.02269	1.3
149.06033	1.3
149.09648	1.7
149.13324	1.8
151.07608	4.4
151.11203	4.2
155.08566	6.7
157.06544	1.1
157.10138	19.2
159.08038	2.3
159.11720	12.1
161.09642	1.7
161.13263	2.8
163.03903	3.8
163.07523	1.7
163.11195	2.9
165.09186	1.8
167.03532	1.0
167.08556	2.5
169.10135	5.8
171.08136	1.2
171.11700	5.8
173.02397	2.1
173.13272	3.3
175.11191	3.1
175.14781	1.7
177.09128	1.1
181.10149	3.9
181.15781	1.0
183.11655	7.9
185.09587	1.2
185.13202	4.8
187.03911	2.2
187.14790	2.1
189.12730	1.0
193.10291	1.1
193.12259	2.0
194.10870	1.8
195.11710	4.2
197.09631	1.5
197.13303	8.2
199.03868	1.1
199.14861	25.2
199.16751	1.2
201.12755	2.5
207.11728	3.5
209.13306	7.0
211.14832	4.9
213.05560	1.8
213.12758	1.8
213.16399	3.8
215.14372	1.3
217.12306	1.6
217.15752	1.3
221.13292	1.0
223.11102	0.9
223.14882	5.2
225.16412	3.6
227.14404	2.1
229.15788	1.6
237.16579	1.9
239.17848	1.6
241.15874	2.1
245.15234	1.1
249.16422	1.7
251.14117	1.3
251.17918	1.5
255.21251	1.8
257.15555	1.1
259.16943	4.8
267.13724	1.4
269.15329	2.5
269.18762	1.1
273.18411	1.2
279.21021	1.6
285.18597	1.7
289.14236	1.4
297.22034	6.3
303.19611	4.7
305.17480	1.6
311.20157	1.4
313.21588	1.5
315.23181	4.5
329.21024	2.5
333.25726	1.6
337.14319	2.5
351.26794	4.1
355.15292	2.8
355.19156	2.2
357.25220	1.0
365.28430	2.0
369.27942	1.9
375.26913	2.2
381.27554	1.3
393.27945	10.2
411.17789	1.0
411.28995	23.0
429.30060	100.0
430.30228	1.8
447.23843	3.8
447.30981	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	447.3108
Annotation	Hyousterone A
Peak:m/z	Relative Intensity
55.01873	1.8
55.05511	3.8
57.03424	2.0
57.07061	1.1
65.03907	0.6
67.05512	8.0
69.03429	1.4
69.07072	16.4
70.76260	1.5
71.04972	0.7
73.06555	1.2
79.05499	7.7
81.03425	5.5
81.07063	8.2
83.04982	1.7
83.08626	2.5
85.06548	5.2
88.24319	0.8
91.05486	7.5
93.07052	7.0
95.04963	3.8
95.08622	5.3
97.06528	4.9
97.10148	0.8
99.08091	0.9
105.07030	7.9
107.04950	1.7
107.08606	8.5
109.06529	1.6
109.10162	3.5
111.08101	1.5
113.09679	0.8
117.07034	2.1
119.08562	6.1
120.31065	0.6
121.06540	2.7
121.10142	3.7
122.26354	0.6
123.08089	2.2
123.11726	0.7
125.05949	0.6
125.09638	2.3
127.11182	1.6
127.74387	0.5
129.06998	2.1
131.08597	4.2
133.06479	1.5
133.10130	3.4
135.08078	1.7
135.11687	4.9
139.11205	1.8
143.08588	1.9
143.78864	0.7
145.06488	1.0
145.10139	6.2
147.08054	1.4
147.11703	11.3
149.09627	2.0
149.13313	1.1
151.07555	0.9
155.08554	1.1
157.10164	3.2
159.08069	1.7
159.11765	3.9
161.09616	2.0
161.13240	1.2
163.11237	2.6
165.09119	0.7
169.10115	1.4
171.07953	0.7
171.11644	1.5
173.09673	2.4
173.13312	1.3
175.11211	1.7
181.10098	0.7
181.12294	2.3
183.11673	1.5
185.09694	1.5
185.13272	3.5
187.11227	2.4
187.14870	2.8
189.12819	1.2
191.10617	0.6
193.12294	1.7
195.11783	1.0
197.09592	1.2
197.13321	1.3
199.11182	0.7
199.14845	1.9
201.12770	1.2
201.16446	2.7
203.14391	1.1
205.12231	1.2
209.13249	1.2
211.11174	1.1
211.14851	1.2
213.12610	1.4
215.14420	0.9
223.13161	1.3
225.12750	1.4
227.14333	1.6
229.15927	0.7
239.17905	1.0
245.15553	0.8
245.18425	0.6
253.19402	0.8
271.20572	1.4
281.18964	0.7
285.18399	1.3
297.18842	0.6
297.22137	1.4
313.21613	1.6
315.23276	8.8
319.20627	0.7
325.21725	0.7
327.23318	0.8
331.22668	1.3
337.21707	2.7
355.18958	1.2
355.22723	2.9
364.89124	0.7
375.26758	1.0
393.27820	5.6
403.25046	1.3
411.28967	19.5
423.58838	0.7
427.45697	0.7
429.30072	100.0
430.30383	2.0
439.42511	0.7
447.26376	2.9
447.32196	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	447.3108
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
51.51017	1.9
51.67654	2.1
55.05501	8.4
56.86337	2.4
57.03442	2.3
57.07076	3.3
67.05505	19.8
69.03426	6.2
69.07072	25.4
71.52859	2.8
79.05495	15.7
81.03407	4.6
81.07061	42.6
83.04972	4.7
83.08617	6.2
85.06568	10.0
91.05476	19.7
93.07060	22.8
95.04964	3.2
95.08607	17.4
97.06524	10.5
97.10158	3.7
99.08089	5.4
105.07040	30.2
107.04956	2.9
107.08603	17.2
109.06519	2.7
109.10155	10.0
111.08094	3.6
115.05505	3.6
115.07581	18.1
117.07020	9.6
119.08577	21.4
119.91367	2.5
121.06516	3.9
121.10124	13.2
123.08037	4.0
123.11721	2.9
125.09605	5.1
128.06265	3.0
129.06984	6.7
131.08582	19.7
133.10159	29.1
135.11687	13.4
137.09628	2.5
139.11209	18.8
143.08575	15.2
145.10127	20.7
147.11670	10.7
149.13304	3.2
151.11188	5.8
155.08539	9.6
157.10138	22.5
159.11697	19.4
161.09596	2.8
161.13222	4.0
163.11165	5.8
166.49236	2.1
167.08582	2.4
169.10100	8.1
171.11665	10.9
173.13264	9.0
174.86230	2.3
175.11159	5.8
175.14845	2.8
181.10172	6.1
182.10992	2.3
183.11691	13.7
185.09480	2.2
185.13283	9.6
187.14821	5.9
193.10033	3.3
194.10854	2.6
195.11711	3.8
197.13229	10.6
199.14818	8.3
203.14322	3.3
207.11816	2.5
209.13347	5.8
211.14824	7.5
213.16571	10.0
215.14352	3.4
223.14824	6.0
225.16377	8.4
227.14815	2.1
227.17851	3.6
229.15887	4.3
231.17336	2.5
237.16393	5.0
239.17880	4.1
251.17946	2.6
255.21152	6.2
273.18652	6.3
279.21063	6.9
297.22156	19.7
304.09479	2.4
313.21283	2.7
315.23093	14.9
338.65073	2.4
355.22946	2.8
365.28400	2.7
375.26785	3.4
383.29471	4.6
393.27914	19.7
411.29062	21.5
429.30109	100.0
430.30539	3.2
447.27521	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	447.3105
Annotation	Hyousterone A
Peak:m/z	Relative Intensity
50.31561	1.8
53.03930	4.6
55.01864	5.7
55.05315	1.7
55.05515	20.0
57.03428	7.1
57.07073	7.5
59.05010	2.4
61.02917	1.8
65.03946	2.0
67.05509	41.9
69.03434	16.9
69.07068	18.2
70.06581	2.2
71.04998	5.8
73.05672	2.2
79.05490	32.1
81.03432	23.3
81.06593	3.3
81.07063	60.7
83.04989	6.3
83.08610	8.0
85.02901	4.4
85.06544	35.7
86.09693	2.2
91.05476	33.2
93.07056	29.1
95.04975	16.8
95.08598	25.6
95.23742	1.8
95.67051	1.9
97.02897	3.1
97.06548	9.3
97.10172	6.6
99.08081	11.9
105.07039	30.5
107.04947	5.6
107.08604	23.8
109.02887	2.3
109.06511	5.7
109.10158	27.9
111.04453	2.3
111.08090	3.9
113.09624	2.4
115.05461	3.5
115.07586	5.7
117.07047	10.6
119.04967	1.9
119.08578	23.4
121.06512	8.0
121.10159	13.6
123.08041	4.1
123.11697	8.7
125.06012	3.4
125.09634	25.8
127.03902	4.4
127.11224	4.8
129.07008	12.4
131.04832	2.2
131.08574	18.7
133.06488	5.8
133.10158	24.7
135.04454	3.4
135.08052	6.8
135.11705	12.6
137.09604	3.6
137.13197	2.3
139.11168	12.6
141.07016	3.7
142.07785	3.4
143.08542	18.0
145.06473	5.2
145.10135	13.5
147.04381	3.2
147.08032	5.5
147.11703	11.7
149.02348	4.2
149.09613	5.5
149.13226	3.5
151.07625	3.0
151.11171	6.4
155.08524	9.9
157.10112	22.6
159.08040	4.9
159.11713	16.0
161.09540	3.9
161.13257	4.3
163.03917	8.5
163.07597	2.4
163.11238	5.8
165.09146	4.0
168.09401	2.4
169.10161	6.4
171.11726	9.5
173.09625	2.7
173.13289	7.7
175.11185	7.5
175.14807	2.6
181.10152	4.0
181.12117	3.0
183.11665	10.8
185.06114	3.3
185.09769	2.6
185.13248	8.6
187.11214	3.5
187.14873	4.2
189.09088	3.5
193.12231	11.1
195.11769	5.4
197.13239	12.8
199.11162	4.4
199.14861	26.2
199.16762	2.9
201.12807	3.8
203.10628	3.4
205.12263	2.3
207.11705	4.8
209.13301	8.9
211.14888	4.4
213.05574	3.3
213.16412	4.1
217.15831	3.0
223.14856	8.1
225.16333	4.7
229.15877	2.3
231.17564	2.7
237.16353	3.0
241.12187	1.9
241.15862	4.0
243.10162	2.1
243.13864	2.4
255.21202	2.3
257.15436	2.7
259.16934	11.3
267.16010	3.4
269.15335	4.5
273.22125	4.2
279.21249	2.2
285.18396	2.3
297.22137	7.7
303.19559	5.1
305.17618	2.8
315.23260	3.2
329.21249	6.4
337.14212	4.2
337.17966	2.4
337.21619	4.2
351.26923	4.8
355.15274	4.3
355.19022	9.1
355.22739	8.3
369.27466	2.0
373.23926	2.5
375.26965	4.7
381.28159	2.1
383.29480	3.0
393.27951	14.1
411.28903	27.1
429.30142	100.0
447.26593	13.7
447.31445	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	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34908	1.5
53.03953	2.1
55.01869	1.7
55.05524	9.1
57.03446	10.0
57.07081	3.6
59.54581	1.5
61.94343	1.5
65.03934	2.6
67.05513	50.2
69.07072	11.3
69.96471	1.4
70.84561	3.3
70.84896	3.0
71.04973	1.8
71.08609	2.3
72.94279	1.4
79.05496	30.8
81.03422	7.9
81.07063	45.5
83.05009	2.8
83.08624	6.5
85.06554	2.2
85.19401	1.5
91.05479	15.6
93.03169	1.6
93.07056	37.2
95.04969	4.3
95.08611	37.4
97.06511	3.6
97.10169	3.9
99.08091	2.0
105.07036	16.1
107.04951	2.1
107.08611	19.7
109.06564	1.5
109.10164	14.4
111.08090	2.1
113.00024	58.4
117.07017	5.1
119.08591	12.8
121.10145	18.9
123.11686	5.6
125.09714	1.6
129.05493	1.8
129.06998	1.8
131.08580	10.8
133.10135	6.7
135.11716	11.0
136.06204	11.8
137.06581	3.1
137.09653	2.0
137.13264	2.9
143.08569	2.4
145.10149	6.5
147.11696	6.1
147.68300	1.5
149.02361	3.1
149.09616	1.6
149.13306	8.2
150.46561	1.4
151.11198	2.1
153.12694	1.7
157.10178	3.0
159.11732	8.5
159.12914	1.4
161.13232	2.9
163.11081	3.1
163.14819	4.7
169.02640	20.5
173.13268	5.8
175.14874	2.3
177.16426	2.8
187.03667	8.6
187.14886	3.7
193.04916	2.1
193.12311	2.0
243.21138	14.4
261.22165	19.4
265.91275	1.6
317.24692	6.5
335.25815	100.0
336.25909	2.0
447.27411	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	447.3105
Annotation	Hyousterone A
Peak:m/z	Relative Intensity
51.97283	1.1
53.03935	2.1
55.01875	2.2
55.05513	7.3
57.03437	1.9
57.07059	3.2
58.25299	1.5
67.05505	20.6
69.03419	11.2
69.07073	16.5
70.10245	5.1
71.04972	1.9
71.08629	1.4
73.78003	1.0
78.81535	1.1
79.05498	13.3
81.03408	3.7
81.06594	2.0
81.07059	41.4
83.04971	2.6
83.08599	5.9
85.02927	1.1
85.06078	1.9
85.06547	24.3
91.05483	13.9
93.07056	13.7
95.04959	4.6
95.08073	1.3
95.08614	15.5
97.06522	5.9
97.10139	2.0
97.72264	1.3
98.21471	1.9
99.04419	1.4
99.08093	12.6
101.15183	1.1
104.18219	1.1
105.07030	20.5
107.04927	2.4
107.08588	10.6
109.06542	2.7
109.10162	22.3
111.08069	2.6
113.09637	3.5
115.07564	5.0
117.07009	9.5
119.08576	13.1
121.06532	2.8
121.10167	8.2
123.08044	2.2
123.11703	5.5
125.09645	16.5
127.11182	2.8
128.06235	1.9
129.06961	6.4
131.08566	14.1
133.06490	2.4
133.10130	14.1
135.08070	2.5
135.11690	7.0
136.06175	9.0
137.05806	1.5
137.09586	1.9
139.11182	13.5
141.06998	2.7
142.07759	2.0
143.08566	13.9
145.06496	1.8
145.10130	13.5
147.08031	1.4
147.11702	6.3
149.02301	2.0
149.09627	2.7
151.11183	4.0
155.08588	5.5
157.10130	18.9
159.11700	11.8
161.09650	1.5
161.13232	2.8
163.11153	2.5
163.81314	1.1
167.08569	2.4
169.10139	5.3
171.11664	6.4
173.09714	2.5
173.13251	4.7
175.11211	2.7
181.10184	4.0
183.11682	10.4
185.13243	5.9
187.11166	1.9
187.14862	1.5
189.09128	1.2
189.12782	1.3
193.10057	1.7
193.12195	2.7
195.11690	4.1
197.13261	10.3
199.11188	2.8
199.14821	24.6
201.12686	2.2
203.14281	1.7
207.11700	3.0
209.13223	5.7
211.14783	5.9
213.12680	1.8
213.16397	3.6
215.10835	1.3
217.12132	1.4
217.15881	1.3
221.13268	1.9
223.14771	5.5
225.16380	3.8
227.14386	1.6
229.16043	1.7
239.14317	1.6
239.17908	3.1
241.15817	2.3
241.19547	1.4
253.19556	3.2
257.15359	2.4
259.16904	7.4
269.15356	2.1
269.22571	1.4
271.20578	1.4
275.16370	1.6
279.21072	3.0
281.18994	1.3
285.18585	1.4
287.16422	1.6
297.22037	5.9
299.20065	1.2
303.19531	4.9
315.23157	3.1
319.20691	1.2
329.21078	3.1
333.25720	1.6
337.21426	2.3
343.22769	1.7
351.26636	3.2
355.22546	3.1
365.28366	4.3
369.27786	3.2
375.26703	2.7
383.29361	2.5
387.28754	1.3
393.27820	9.9
401.30380	3.7
411.28949	24.0
429.30096	100.0
430.30179	1.9
447.25980	5.5
447.31219	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	447.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01856	8.7
55.05516	31.0
57.03422	8.6
57.07064	4.2
61.02908	2.8
65.03944	2.2
67.05506	49.8
69.03432	14.2
69.07065	28.5
69.15311	16.6
69.15717	3.4
70.06578	2.1
70.67635	1.9
71.04973	8.2
73.06550	2.7
79.05499	61.4
81.02995	2.5
81.03423	36.1
81.06608	3.6
81.07062	63.9
83.04975	9.4
83.08629	14.2
84.08119	2.4
85.02905	4.9
85.06543	21.0
91.05488	42.8
93.06502	2.2
93.07046	36.0
95.04968	20.0
95.08606	31.0
97.02874	7.7
97.06541	17.4
97.10173	15.8
99.08086	9.6
103.05450	3.5
105.03405	3.5
105.07034	35.3
107.04957	18.2
107.08604	34.1
109.02859	6.4
109.06496	7.9
109.10153	25.9
111.04467	2.7
111.08079	6.0
115.05444	5.9
115.07590	4.6
117.07021	26.4
119.04974	3.9
119.08588	25.6
121.02855	3.4
121.06514	18.1
121.10146	14.3
123.04417	3.1
123.08054	8.3
123.11698	5.3
125.02372	12.5
125.05988	3.0
125.09643	20.3
127.03947	4.8
127.11156	2.6
128.06218	4.8
129.07011	15.4
131.04916	6.2
131.08560	26.9
133.06456	12.3
133.10130	24.9
135.04381	5.4
135.08049	20.6
135.11688	13.2
137.05966	4.1
137.09615	6.2
139.03830	1.9
139.11139	7.0
141.06943	6.9
142.07773	5.0
143.07072	4.1
143.08530	12.9
145.02798	3.1
145.06505	14.2
145.10123	21.6
147.04430	9.2
147.08038	6.3
147.11734	14.2
149.01213	2.4
149.02296	10.5
149.06035	3.9
149.09601	5.4
149.13214	2.4
151.07509	3.4
151.11151	2.7
153.06978	2.9
153.09056	3.7
153.12727	2.1
154.07845	2.0
155.08543	9.3
157.06482	7.6
157.10120	23.3
159.04388	6.5
159.08015	9.0
159.11713	14.1
160.05190	5.2
161.02293	3.1
161.05949	9.6
161.09641	3.9
161.13245	4.7
163.03873	8.7
163.07520	6.3
163.11166	8.6
163.14804	3.8
165.09087	4.9
167.08542	4.9
168.09450	2.6
169.06462	2.5
169.10136	10.0
171.08015	5.8
171.11674	7.1
173.02304	4.6
173.06010	5.1
173.09604	7.5
173.13266	6.3
175.07524	3.8
175.11157	6.4
175.14821	2.7
177.09061	3.6
177.12779	2.8
180.09320	2.5
181.06444	2.4
181.08580	4.3
181.10141	6.0
183.08081	3.4
183.11674	13.1
185.05908	2.7
185.09613	5.4
185.13290	6.3
187.03903	5.3
187.07530	4.5
187.11134	3.5
189.09152	2.7
189.11174	5.6
191.10646	6.1
193.04973	5.3
193.10254	3.0
193.12222	9.1
195.11696	5.8
197.09604	7.9
197.13277	7.5
199.03902	3.6
199.11162	6.1
199.14822	15.8
201.09033	5.2
201.12814	2.9
203.10626	6.7
203.14301	3.2
207.11699	3.3
209.13225	6.1
211.07399	2.5
211.11282	2.8
211.14888	4.9
213.05469	4.6
213.12761	3.5
213.16400	3.1
215.10648	5.6
215.14125	3.1
217.12219	2.3
219.10088	2.4
223.11156	2.0
223.14853	3.8
225.05522	2.3
225.09132	4.1
225.16399	3.0
227.10718	3.8
227.12712	4.4
229.12187	4.8
237.07556	3.7
237.11189	4.1
241.12186	3.5
241.15926	3.4
243.10216	13.3
243.13754	2.0
249.16435	3.1
253.19630	2.7
257.11710	2.7
259.16953	5.4
261.11261	4.0
267.13669	4.0
269.15225	3.0
271.12994	3.2
275.16373	2.6
285.14578	3.1
287.16360	2.8
289.14285	8.7
297.22067	5.3
303.19611	4.0
309.18460	3.9
311.12885	3.1
315.23239	2.0
327.19458	8.5
337.14285	3.4
337.17868	9.4
337.21448	2.9
355.19061	96.4
369.27957	2.1
373.19971	14.0
393.20328	2.5
393.27768	7.1
403.21088	4.5
411.21487	6.3
411.28934	18.0
429.11844	2.2
429.12766	2.1
429.22626	44.7
429.29865	66.5
447.23624	100.0
447.29221	6.2
447.30301	6.7
448.23837	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03946	5.4
55.01860	5.5
55.05510	15.5
57.03432	9.9
59.04997	3.3
61.02924	6.6
67.05507	15.1
69.03423	13.7
69.07072	6.5
70.06585	16.8
71.04984	4.9
71.52634	3.1
72.08148	3.9
72.36977	2.4
72.70822	1.9
73.02924	3.7
79.05494	15.1
81.03422	61.3
81.07055	20.5
83.04980	26.0
83.08607	16.2
84.04507	4.7
84.08150	7.0
85.02903	30.5
85.06539	4.6
86.09707	18.8
91.05458	15.2
93.07049	8.6
95.04968	25.6
95.08616	6.0
97.02896	14.8
97.06548	10.6
99.04469	4.1
101.02378	2.1
105.07063	12.7
107.05009	5.1
107.08587	7.1
109.02908	5.9
109.06548	6.6
109.10173	4.2
111.04442	5.3
111.08083	12.8
113.06010	2.4
115.03933	3.1
117.06985	2.4
119.08588	12.7
120.08144	5.3
120.13837	2.0
121.06518	3.5
121.10171	7.9
123.04355	2.2
123.08097	3.2
125.09631	2.8
127.03936	8.3
129.05489	6.9
129.07001	6.7
129.10320	2.6
131.08563	9.5
133.10132	10.9
133.26572	2.0
135.11711	2.2
136.07509	2.5
137.09612	2.6
145.10130	4.0
147.04431	3.3
147.08029	3.6
147.11678	12.5
147.62366	3.0
149.02296	2.5
149.09663	5.0
157.10117	10.9
163.11139	2.9
165.12741	5.3
175.11212	13.8
179.03404	4.0
180.03673	2.6
193.12256	58.2
201.12482	4.0
211.13278	29.2
215.07076	4.7
215.13971	3.0
219.13554	2.4
227.12776	3.4
228.13878	2.6
237.14629	2.4
239.03314	2.7
246.14879	11.5
252.09312	4.6
256.03638	3.0
259.09766	2.9
267.16000	26.6
284.34320	2.2
285.16956	100.0
299.05499	12.9
309.17017	2.3
324.11307	2.3
333.12195	2.7
393.19135	2.7
429.21201	11.0
447.22287	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	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.3
54.71987	2.2
55.01865	5.9
55.05516	24.9
57.03440	27.3
58.06588	2.8
59.04992	2.4
61.02929	47.4
65.03933	3.2
67.05507	35.6
69.03433	28.0
69.07079	9.2
70.06605	16.9
71.01350	5.0
71.04990	10.4
71.51881	2.7
71.56154	2.4
72.08165	32.9
73.02919	22.8
79.05505	36.1
81.03422	89.0
81.07058	46.6
83.04984	22.9
83.08617	27.8
84.04504	3.6
84.08149	19.3
85.02908	71.7
85.06563	2.5
86.09709	26.4
87.04471	5.2
91.03965	25.0
91.05486	45.1
93.07048	32.7
95.04977	29.7
95.08611	17.6
97.02902	50.6
97.06528	11.2
97.10166	6.0
98.06067	3.9
99.04477	6.8
99.08093	3.9
101.02394	10.0
102.09181	4.2
103.03981	3.3
105.07040	31.8
107.04940	14.3
107.08593	14.9
109.02886	11.0
109.06549	11.7
109.10188	8.6
111.04453	7.3
111.08106	14.5
113.06028	4.2
115.05440	3.1
117.07021	3.2
119.04928	2.9
119.08587	25.4
120.08089	5.1
121.06532	4.1
121.10166	19.2
123.08072	5.4
123.11742	4.6
127.03912	21.8
127.07568	3.0
129.05498	6.5
129.07019	14.5
129.10252	13.2
130.12296	2.8
131.08588	17.1
133.06537	3.5
133.10133	25.0
135.08032	4.2
135.11667	3.8
136.07608	3.6
137.05937	4.1
137.09631	5.3
142.07820	4.3
145.05008	4.6
145.10133	6.9
146.11778	3.4
147.08070	4.8
147.11691	22.1
149.09633	9.0
151.07492	2.7
153.09190	2.4
157.10147	24.9
161.06029	3.2
163.03926	3.1
164.46054	3.1
165.12770	4.8
175.11201	21.4
183.06607	3.8
188.07144	3.3
193.12257	79.7
201.07610	3.3
211.13287	89.4
229.14337	3.0
242.87202	2.3
252.59525	2.8
267.15884	26.4
278.24844	9.8
280.22665	2.9
285.16974	100.0
301.14304	2.7
309.16910	4.7
315.69073	3.5
322.23843	6.4
340.24875	19.5
358.25885	8.4
370.29980	2.7
370.70505	2.6
393.19162	3.1
411.19760	3.5
412.30515	6.6
429.21591	12.1
429.33453	4.8
430.31720	34.0
447.12543	8.2
447.22189	29.1
447.34387	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01861	0.4
55.05511	0.6
57.03420	1.1
58.06610	0.5
60.04526	0.6
61.02929	0.5
67.05514	0.5
69.03429	3.4
69.07063	0.5
70.06589	3.3
71.52705	0.5
72.08145	2.0
73.02901	0.6
73.73913	0.4
79.05490	0.9
81.03411	3.6
81.07077	0.7
83.04959	0.6
84.08157	2.2
85.02910	7.3
86.03212	0.6
86.09707	5.9
87.00817	1.3
87.10033	0.8
88.61414	0.4
90.05555	3.3
91.05474	7.4
93.07044	5.7
94.98380	0.5
95.04970	1.0
97.02902	2.5
97.06528	2.5
99.04478	0.9
103.05502	2.2
104.07124	0.6
105.01877	0.7
105.07041	1.1
107.04932	0.6
107.08589	3.3
108.08917	1.4
109.02872	1.6
110.03199	0.6
110.07128	0.9
116.07101	0.6
119.04947	14.4
119.08469	0.6
119.83231	0.5
120.08119	0.7
121.06505	31.4
127.03927	2.5
128.04234	1.0
129.10231	1.6
131.08585	0.6
133.10153	1.5
134.10529	1.0
137.05930	1.1
145.04982	1.3
147.04411	100.0
148.04753	0.6
159.02867	0.5
161.09653	0.6
163.03937	1.7
164.07098	1.5
165.64285	0.5
167.07072	1.7
179.10721	1.1
180.11032	1.6
187.07503	0.5
189.05418	0.6
197.11710	4.5
198.12085	5.1
205.08601	2.1
231.10178	1.0
249.11272	0.5
267.15884	0.5
277.10623	0.8
282.01581	0.5
284.12811	61.4
285.12988	0.7
446.18149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44254	2.5
53.55984	2.6
55.05512	11.0
60.05659	2.7
67.05499	9.3
69.07066	5.5
71.25325	3.7
71.25666	3.3
74.73324	2.4
77.17078	2.7
79.05492	7.5
81.03416	6.6
81.07059	14.3
83.04967	4.7
83.08614	5.6
83.70122	2.8
85.02932	2.7
91.05450	7.7
93.07037	7.6
95.08610	6.5
105.07010	4.2
107.08524	3.3
109.06525	6.1
111.04443	10.8
119.08594	13.3
121.10123	4.6
123.08024	3.4
129.06978	2.5
133.10100	5.3
136.06195	64.8
137.05983	60.8
149.02361	10.4
161.09561	3.6
163.11095	3.1
175.11227	3.7
179.10686	2.9
193.05042	15.1
193.12326	3.3
203.18015	3.2
212.54018	2.9
231.17400	6.0
237.07755	4.0
241.15771	3.5
249.18497	4.1
250.62764	3.0
254.27997	3.4
271.12610	2.7
277.18002	42.4
295.19141	4.5
295.22574	3.9
331.83954	2.9
351.21698	100.0
369.22617	8.9
382.16647	3.1
383.24283	32.6
385.09149	11.7
429.11752	28.9
429.30103	5.1
446.26511	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	447.2225
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03937	4.5
55.01857	2.8
55.05515	9.0
57.03436	7.9
61.02930	7.6
67.05502	13.8
69.03430	10.6
69.07065	4.9
69.95416	5.0
70.06580	4.7
71.01352	1.9
71.04981	4.0
72.08141	1.4
73.02904	4.4
79.05489	14.8
80.09841	1.0
81.03417	93.1
81.07053	14.5
83.04978	11.7
83.08616	20.1
84.08134	2.0
85.02900	15.4
85.06542	1.7
86.09691	5.0
91.03933	3.2
91.05479	19.4
93.07040	11.9
95.04964	25.0
95.08582	7.1
97.02893	11.1
97.06503	5.5
97.10163	3.4
98.06883	1.3
99.04443	2.2
103.03914	1.2
105.07030	13.2
107.04945	8.4
107.08578	5.1
109.02892	5.0
109.06496	3.4
109.10142	3.1
111.04424	4.3
111.08078	9.8
115.05431	1.1
115.55295	1.0
117.07009	1.6
119.04942	3.2
119.08578	12.8
121.06517	2.3
121.10136	5.8
123.04423	2.7
123.08042	1.2
123.11667	2.2
125.09665	1.2
127.03925	3.5
129.05475	2.5
129.06987	8.6
131.08571	9.4
131.25731	1.1
132.10231	1.1
133.06482	2.8
133.10176	6.4
135.08060	2.4
135.11685	1.3
136.07610	1.2
137.05956	1.6
137.09625	2.6
142.07771	2.4
145.10117	3.3
147.04419	1.5
147.08012	2.9
147.11687	9.5
149.09619	5.1
153.01817	3.5
153.12695	1.7
157.10138	12.0
163.03923	2.8
163.11148	2.8
165.12727	2.9
166.34641	1.1
171.87990	1.1
175.11174	12.3
189.12636	1.7
191.10678	1.6
193.12244	76.4
211.13307	23.2
215.07137	1.0
229.14259	1.9
235.13219	4.1
240.10652	1.1
245.86006	1.2
249.14790	2.2
259.09390	1.3
267.13004	2.0
267.15903	44.0
271.06009	100.0
273.14862	1.7
285.16949	58.3
301.14044	1.3
309.17059	8.2
319.15271	1.5
351.17941	1.5
363.18143	1.6
373.20200	1.1
375.17975	2.0
411.20096	2.1
429.21591	5.9
430.31631	1.6
447.08810	2.3
447.21658	1.6
447.34424	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.4
55.05515	27.0
57.03461	4.7
57.06825	6.6
57.07078	68.9
57.19722	3.9
67.05499	14.2
69.07071	62.6
69.15535	33.9
69.15960	12.2
71.08632	57.7
79.05492	12.3
81.07073	33.7
83.01339	9.6
83.08614	41.9
85.08231	3.8
85.10177	24.9
91.05474	10.3
93.07049	8.8
93.59039	4.0
95.04955	5.5
95.08604	25.6
97.10193	29.6
99.04449	6.9
99.11685	5.5
105.07025	15.5
107.08620	17.1
109.06526	57.7
109.10165	16.0
111.11728	15.9
119.08592	17.3
121.10150	8.5
123.08083	21.8
123.11729	7.7
125.06023	7.0
131.08591	9.5
133.06459	4.6
133.10147	5.6
135.08070	24.5
137.04921	6.0
137.05986	100.0
137.06960	7.9
137.09641	11.9
139.07515	25.4
145.10159	9.0
147.11671	10.0
149.05965	5.0
149.09654	20.8
151.07538	47.8
152.08136	4.8
153.09198	5.3
157.10115	10.3
159.08163	5.0
159.11752	4.9
160.08740	6.7
161.09680	14.6
161.13252	6.0
163.07544	16.1
163.11198	9.2
165.09146	51.7
167.07040	9.0
170.10986	4.7
171.11690	13.3
173.09665	9.7
175.07504	4.6
175.11214	20.0
177.09116	18.8
179.07210	5.1
179.10591	20.7
181.08543	6.6
185.13385	7.7
189.09163	5.5
189.12738	24.6
191.10699	12.4
193.08635	7.4
193.12225	14.5
201.12662	7.4
202.09964	8.8
203.10663	14.0
203.14388	12.0
205.12317	7.0
207.13812	18.3
217.12224	5.5
217.15958	4.3
219.13847	5.5
221.11742	4.7
221.15297	13.1
231.13805	10.6
231.17474	5.6
235.16917	12.9
245.19171	6.0
249.18538	12.4
263.20129	7.8
273.21906	4.9
277.21594	13.9
291.23300	10.1
305.24570	6.8
319.26266	5.2
385.34702	52.9
399.36325	39.0
403.35596	33.4
417.37308	54.2
427.35626	38.6
445.20917	5.2
445.36795	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	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01879	9.1
55.05278	2.2
55.05519	37.5
57.03430	2.0
57.07087	41.9
57.09421	1.6
60.27757	1.3
61.70638	1.6
64.70802	1.4
67.05512	17.7
69.07076	72.2
71.04973	1.4
71.08292	2.0
71.08645	28.3
71.12657	2.6
77.98196	1.4
79.05505	13.3
81.07069	59.0
83.04984	4.7
83.08629	50.4
85.02871	1.9
85.10201	13.2
87.83391	1.9
91.05507	7.6
91.86169	1.5
92.62971	1.5
93.07053	35.2
94.42226	1.4
95.04987	3.7
95.08617	49.9
97.06537	9.0
97.10176	31.3
99.04444	1.8
99.11736	3.3
105.07022	5.5
107.08607	26.8
109.06516	6.6
109.10168	25.9
110.13390	1.3
111.08097	13.8
111.11719	23.5
113.13260	1.8
119.08600	5.3
121.06514	9.0
121.10146	15.7
123.08112	7.5
123.11726	13.2
124.05224	5.1
125.06038	2.1
125.09640	3.4
125.13276	10.5
133.10132	4.5
133.97487	1.6
135.08081	3.0
135.11693	15.9
137.06004	11.2
137.09612	2.9
137.13269	4.5
139.07555	100.0
139.11293	1.6
139.14822	2.8
145.10136	3.4
147.11714	4.8
149.07858	1.5
149.09625	5.4
149.13274	15.4
151.07564	11.4
151.14857	2.8
153.09036	1.8
153.12788	1.7
157.10207	1.5
159.11748	2.5
161.09641	1.8
161.13353	2.6
163.11182	2.0
163.14844	14.4
165.05508	18.3
165.09137	25.6
165.16331	2.0
167.07056	1.8
167.14275	1.6
171.11630	1.9
175.07634	2.3
175.11214	4.7
177.09172	4.1
177.16443	4.4
179.10686	2.4
181.06534	1.5
181.08638	4.8
181.15924	2.8
187.11086	2.3
189.12750	4.0
191.17809	2.4
193.08623	19.2
195.10129	1.8
202.09792	1.8
203.10629	7.9
203.14307	1.9
205.12167	1.7
213.12767	2.1
217.12219	5.1
219.13838	2.9
221.11717	5.2
229.81285	1.4
231.13815	4.7
233.15260	1.8
233.22694	3.3
235.13390	2.9
245.15260	2.0
289.28928	19.9
305.21164	1.8
307.29935	27.1
319.22382	2.1
389.30203	2.2
403.36047	1.6
417.37219	11.8
427.35770	11.5
445.36835	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	444.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
53.40186	0.5
55.01871	3.0
55.05507	1.1
57.03436	5.3
61.02610	0.6
61.02929	8.7
62.07039	0.5
69.03434	17.8
69.07064	1.0
69.60333	3.2
70.06591	3.0
71.05010	2.5
72.08151	1.6
73.02930	3.6
79.05519	0.5
81.03424	8.0
81.07070	1.3
83.01356	0.6
84.04510	2.1
84.08147	1.8
85.02911	100.0
86.09712	6.1
87.04475	2.4
88.04005	0.6
91.03954	5.8
91.05482	0.7
93.07085	1.0
95.04962	0.7
95.08628	0.8
97.02896	20.7
97.06544	1.9
98.06049	2.1
99.04479	3.6
101.02396	0.5
103.03929	0.7
105.07047	1.2
107.08608	0.8
109.02887	9.0
109.06471	0.6
115.03911	1.3
115.08679	1.9
119.08621	1.2
120.08136	0.8
121.10130	0.8
126.05524	1.0
127.03923	25.3
129.10249	1.2
135.08061	0.7
135.11743	0.5
136.06197	1.5
136.08432	0.8
138.05542	1.2
145.04970	54.1
145.10165	0.8
163.06030	23.3
163.23822	0.5
168.06593	1.0
186.07671	0.9
197.11658	2.7
238.16125	0.7
246.14861	0.6
247.09802	0.8
248.14874	0.6
265.16559	2.0
285.08856	0.9
301.38452	0.6
325.11374	0.8
337.10760	0.5
338.11258	0.7
353.68817	0.5
414.27820	0.5
424.33215	0.6
443.20840	0.7
444.15204	0.7
444.29102	1.2
456.38553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06787	2.4
53.03936	7.4
53.57226	2.4
55.01866	7.3
55.05283	3.3
55.05519	36.0
57.03435	8.8
57.07074	4.5
59.04988	4.2
60.66510	2.8
65.03942	3.5
67.05511	82.1
69.03442	14.3
69.06736	3.4
69.07075	49.0
70.06597	5.6
70.46075	9.6
71.04994	43.0
72.08137	4.6
73.04749	4.0
79.05080	5.2
79.05504	78.2
81.03439	17.3
81.06595	5.6
81.07061	100.0
83.04986	30.8
83.08619	18.1
84.04504	3.1
84.08150	6.6
85.02895	11.3
85.06535	14.4
86.09699	10.8
91.05482	80.0
93.07053	95.3
93.07638	5.5
95.04974	17.8
95.08617	62.9
97.02865	7.6
97.06535	33.8
97.10177	22.4
98.21458	2.8
99.00803	3.6
99.04439	6.3
99.08090	5.5
101.06025	3.0
103.05459	3.9
105.04561	3.3
105.07043	57.3
107.04947	5.7
107.08610	56.5
109.02927	6.7
109.06514	23.1
109.09602	2.8
109.10173	35.9
110.44149	2.6
111.04434	3.3
111.08064	11.0
111.11730	10.1
115.05486	4.2
117.07032	25.4
119.08601	45.9
120.08087	3.8
121.06485	7.8
121.10153	42.3
123.08074	10.6
123.11741	13.8
125.09645	18.9
127.03893	10.5
127.07561	9.3
127.11211	3.0
129.06982	11.8
129.09138	7.6
131.08580	42.5
133.10141	40.3
135.08060	7.8
135.11716	20.2
137.09610	10.8
137.13231	5.7
139.11194	23.0
141.07007	7.5
143.08565	12.1
145.10139	38.8
147.11734	23.9
149.09648	10.0
149.13243	9.2
151.07513	4.8
151.11142	5.6
153.09035	4.5
153.12732	7.4
155.08530	7.8
157.10164	14.2
159.11703	21.5
161.09630	5.9
161.13231	15.4
163.11198	9.8
165.08995	2.7
167.03401	3.4
169.10155	3.1
171.11658	13.3
173.11778	6.7
173.13274	15.9
175.07599	2.9
175.14861	3.8
177.12758	5.0
179.14217	4.0
181.12280	4.1
183.11728	5.3
185.11717	12.4
185.13280	5.0
187.11148	4.1
187.14839	6.2
189.11209	6.7
189.12784	4.2
191.10635	3.9
197.13217	6.4
199.14929	3.6
200.12840	5.4
203.12770	24.3
207.13776	5.1
211.14963	4.4
217.15482	10.3
225.14784	5.5
233.15672	3.3
239.17938	10.0
245.05878	8.1
253.19447	5.8
257.19223	17.2
263.20126	3.7
269.11807	5.5
269.15381	3.0
271.20663	9.6
273.22147	5.3
275.20126	70.9
275.23132	5.4
287.11163	3.3
293.21191	22.5
293.24316	4.8
301.12625	13.3
359.02853	5.8
369.09552	5.0
389.13907	3.7
391.21225	6.3
395.10736	2.9
409.22168	8.5
409.26773	6.9
427.23349	4.0
427.28357	6.8
445.19409	32.7
445.25076	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
53.90648	1.8
55.01851	2.7
55.05515	13.4
56.05030	2.0
57.03418	2.1
58.99575	2.3
59.04971	2.4
60.42214	2.0
61.02955	1.9
65.03939	3.5
67.05510	20.4
69.03432	14.1
69.07073	2.6
69.85228	4.2
69.85628	8.3
69.90969	1.9
70.06598	25.5
71.05013	2.8
72.08158	5.7
76.02233	2.5
79.05505	22.4
81.03423	6.5
81.07063	19.2
83.04993	17.9
84.08136	5.4
85.02911	11.3
85.06540	7.0
86.09702	8.4
88.03969	6.5
91.05481	40.9
93.07050	100.0
93.78816	2.0
95.04983	12.6
95.08604	28.1
96.52718	2.0
97.02879	2.9
97.06521	2.7
98.05984	2.0
98.21400	2.4
99.04472	4.5
99.08075	2.2
103.05493	2.8
105.07045	21.6
107.04964	2.2
107.08611	13.6
109.06522	24.6
109.10139	11.5
111.04483	2.2
111.08101	10.2
115.05437	3.4
116.34374	2.0
117.07037	9.9
119.04921	5.5
119.08588	36.2
121.06500	6.9
121.10160	22.0
122.02714	7.3
123.08071	17.4
127.07542	3.6
128.06178	4.2
129.06987	4.7
129.10266	2.9
131.08586	15.7
133.06451	2.9
133.10130	10.7
134.10620	2.0
135.08049	12.9
136.07567	2.1
137.05956	4.9
137.09625	21.4
139.07550	3.5
142.07790	2.9
143.08578	11.6
145.06480	3.1
145.10141	11.4
147.04407	18.4
147.08067	8.0
147.11658	4.2
149.09615	18.7
151.07605	13.8
153.06898	2.5
153.09134	12.0
155.08551	6.9
156.09346	7.5
157.10173	12.2
159.08115	10.4
159.11700	9.0
160.08522	3.3
161.09634	8.9
161.13287	4.5
163.11227	3.3
165.09099	5.5
167.07149	3.1
167.08572	3.6
169.08582	8.0
169.09993	4.5
170.10892	2.9
171.08047	3.7
171.11748	12.1
173.09618	12.0
173.13187	6.7
175.07591	3.5
175.11220	4.4
177.09134	7.3
182.10951	3.2
183.11719	4.7
184.78918	2.0
185.09610	6.6
186.05841	4.6
187.07539	3.7
187.11227	10.1
187.14844	3.9
189.09102	5.7
189.12770	7.5
193.10146	2.5
195.10132	2.5
197.09648	4.1
197.13219	6.5
199.11212	11.5
200.11996	3.8
201.12767	8.1
202.05502	3.1
203.07181	2.1
203.10420	13.5
209.13289	3.6
211.11208	3.8
213.12631	3.9
213.16458	3.9
215.10672	8.6
215.14308	6.7
217.12169	7.8
223.11099	2.3
225.12709	5.9
226.13487	4.6
227.14323	3.7
228.06920	2.7
229.12236	5.1
231.17491	7.7
241.15924	17.2
243.13882	10.2
245.15359	2.9
246.15819	3.7
251.14357	3.4
259.16937	21.6
261.14771	3.1
264.16797	4.8
269.15353	23.9
275.16489	4.3
277.27704	2.7
285.13010	2.4
287.16431	49.7
305.17542	17.5
306.13297	2.8
323.18417	2.7
346.15005	2.9
372.16205	4.1
390.17380	13.0
408.18362	18.9
444.23593	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99898	0.3
54.41444	0.3
55.05508	1.7
56.05843	0.5
57.03451	0.5
60.05648	6.5
69.03423	1.2
69.07069	8.0
69.83755	1.4
69.84167	0.8
70.06594	21.2
71.04973	0.7
72.08140	2.0
79.05474	0.5
80.50743	0.4
81.07058	0.9
83.08628	1.6
84.08160	0.5
84.08948	0.7
84.12500	0.3
85.02905	4.3
86.03210	0.8
86.06082	0.8
86.09708	97.7
87.04442	0.3
87.09999	0.4
91.05489	0.5
93.07025	0.5
95.04992	0.3
95.08633	0.8
97.02897	1.6
97.07655	0.7
98.20833	0.5
109.02848	0.5
109.10178	0.6
112.08723	4.1
113.07094	1.0
114.10324	0.8
115.08695	4.4
116.07093	8.7
119.08593	0.5
120.08095	0.6
123.17532	0.3
127.03929	1.1
128.10722	15.5
128.11713	0.5
130.09753	2.8
133.09750	1.3
137.09619	1.2
145.04939	1.4
146.05312	0.9
156.10196	1.0
156.11325	9.1
157.10858	0.6
158.09241	7.5
161.13496	0.3
163.06024	1.0
175.11914	19.2
176.12091	0.3
187.10986	0.4
199.18120	0.5
226.15518	0.7
228.17079	0.5
229.15474	0.5
233.19704	0.4
245.15378	0.7
253.16594	0.5
263.16464	1.6
269.18597	0.6
271.17682	7.2
275.23749	0.5
281.17480	0.6
288.20291	0.7
343.11633	0.4
425.28680	0.9
428.98996	0.5
443.29788	100.0
444.30173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01870	0.3
55.05510	1.0
57.03435	0.4
59.05016	0.2
61.02921	0.4
65.03940	0.5
67.05451	0.3
69.03432	1.7
69.07076	0.3
70.06590	1.4
70.49044	0.1
70.62315	0.2
70.68506	0.5
72.08173	1.1
73.02905	0.2
79.05495	0.6
81.03407	0.6
81.07078	0.9
83.04995	1.1
83.05392	0.2
84.04497	0.6
84.08150	0.6
84.63299	0.2
85.02911	2.9
85.06544	0.4
86.03230	0.3
86.09714	2.3
91.05488	6.3
93.07062	2.0
95.04967	0.7
95.08589	1.1
97.02908	0.9
99.04460	0.2
101.06021	0.4
101.07133	0.2
103.05467	0.2
105.07027	0.5
107.04945	0.8
107.08590	0.6
109.02859	0.5
109.06541	0.3
109.10168	0.3
111.08085	0.4
116.07081	0.3
117.07011	0.6
119.04950	18.9
119.08601	0.7
120.08134	0.3
121.02876	1.0
121.06519	0.5
121.10145	0.4
122.02716	0.3
123.04487	0.3
123.08099	0.4
125.05946	0.2
127.03904	0.6
129.10263	0.4
130.05028	0.3
131.04967	0.2
131.08568	0.3
133.10129	0.4
135.08102	0.5
135.11696	0.2
136.07590	2.8
136.08560	0.2
136.77681	0.2
137.09590	1.0
143.08559	0.4
144.04523	0.3
145.05063	0.4
145.06502	2.8
145.10123	0.8
147.04419	100.0
148.04730	0.7
149.09604	0.2
151.07529	0.4
153.09103	0.5
155.06091	0.3
157.10121	0.5
157.13406	0.2
159.08049	0.3
159.11725	0.4
161.09634	0.5
162.05525	0.8
162.09073	0.3
163.11205	1.2
164.11542	0.7
176.07089	0.4
181.12231	0.5
182.12601	0.3
185.12994	0.3
187.11165	0.3
188.07121	0.8
189.05621	0.3
197.13150	0.2
199.14819	0.2
201.12709	0.2
208.10547	0.3
213.12785	0.2
235.14420	0.8
245.15736	0.2
246.15656	0.4
260.16171	0.5
261.14978	0.3
263.13937	0.2
263.16428	0.4
264.16812	0.8
282.11261	14.6
282.17838	0.8
287.16528	0.2
288.12250	0.2
291.08643	0.3
305.17490	0.6
306.13153	0.3
309.09671	0.9
340.22189	0.2
374.74429	0.2
426.17688	0.2
444.16675	2.1
444.23026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2795
Annotation	Amentol
Peak:m/z	Relative Intensity
53.03948	0.6
55.01876	1.8
55.05508	3.6
56.44051	0.5
57.03427	0.7
62.88946	0.5
67.05505	3.3
69.03434	1.0
69.07072	63.9
69.57758	3.4
71.05004	1.3
79.05488	3.7
81.03391	0.5
81.07056	13.6
83.04990	1.6
83.08623	0.5
85.06582	0.6
86.09719	1.1
91.05496	4.0
93.07043	4.8
95.04967	8.5
95.08588	3.0
97.06533	17.5
97.10178	3.1
98.21490	1.1
99.04449	1.8
99.08099	5.8
105.07028	7.1
107.04978	4.0
107.08606	4.9
109.06503	3.5
109.10163	4.5
111.08070	3.0
115.05470	1.4
117.07036	2.5
119.04989	0.6
119.08577	6.6
121.06524	3.4
121.10157	3.6
123.08064	2.7
123.11741	1.9
125.05972	0.5
125.09651	2.9
127.11191	2.1
128.06216	3.8
129.07013	2.8
131.04938	5.4
131.08560	6.9
133.06453	1.3
133.10132	5.7
135.04424	5.2
135.08049	1.6
135.11697	0.9
137.05948	3.1
140.70464	0.5
141.07025	2.1
142.07799	1.3
143.08566	8.4
144.09346	0.8
145.06500	2.3
145.10123	6.4
145.92592	0.5
147.08054	8.1
147.11697	2.5
149.09581	1.1
149.13373	0.5
151.11163	0.8
153.05554	0.5
154.07755	0.9
155.05974	0.6
155.08563	3.5
157.06490	1.3
157.10149	3.6
159.08061	6.5
159.11697	6.3
161.06042	0.7
161.09628	6.5
161.13300	1.7
163.11189	0.9
165.07047	1.1
165.12752	0.5
166.07857	0.8
167.08592	2.5
168.09372	0.8
169.10139	4.5
170.10983	0.6
171.08057	18.2
171.11636	2.9
172.97304	0.6
173.05983	0.6
173.09651	4.7
173.13235	3.3
175.07571	1.1
175.11180	1.6
177.09169	0.6
177.12784	3.2
179.08621	1.9
179.14368	0.9
180.09401	1.4
181.06516	0.8
181.10104	3.1
182.10938	1.7
183.08073	1.9
183.11697	4.0
184.08887	1.1
185.09630	4.3
185.13297	1.3
187.07487	3.3
187.11133	2.5
189.09106	29.5
191.08670	0.5
192.09334	0.6
193.10138	1.9
194.11049	0.9
195.08003	0.6
195.11729	3.7
195.13806	3.4
196.08746	0.6
197.09589	6.4
197.13260	10.5
197.15018	0.6
199.11186	10.9
199.14876	1.4
200.11957	1.6
201.09082	1.3
201.12796	2.2
201.16324	0.9
203.10722	1.4
205.08511	0.6
205.10219	0.8
206.10927	1.2
207.10127	11.2
207.11780	1.6
208.12407	0.7
209.09630	2.4
209.13268	2.5
211.11183	3.1
211.14859	1.8
213.09140	0.7
213.12737	3.3
213.16402	0.7
215.10600	1.2
215.14249	1.0
217.10045	1.0
217.12340	0.6
217.16006	0.8
219.11752	1.5
219.17421	1.4
220.12514	1.3
221.09697	0.8
221.13300	2.2
222.10391	1.2
223.11211	4.5
223.14844	1.2
224.11981	1.5
225.09122	0.6
225.12799	2.9
225.16405	0.9
227.10690	0.9
227.14265	2.5
229.12326	2.9
229.15921	3.0
231.13884	0.6
233.13322	1.7
235.11189	1.4
235.14772	3.4
237.12741	3.2
237.16307	0.5
238.13469	1.0
239.10583	0.7
239.14301	6.3
240.15004	0.8
241.12300	1.7
241.15858	0.8
245.13277	1.4
247.11223	0.6
247.15048	0.6
248.11864	0.6
249.12805	1.5
249.16457	1.3
251.14375	3.7
251.17093	0.5
253.15977	4.6
255.13869	0.8
255.17375	0.6
257.15375	1.8
261.12741	1.2
262.13647	0.6
263.14297	4.3
263.16797	0.5
263.18030	0.5
265.14194	3.8
265.19476	0.9
267.17404	0.8
269.19058	1.3
271.17007	2.0
273.16428	1.1
275.17947	0.6
277.15839	0.7
279.13824	1.0
279.17343	0.7
281.15375	11.8
281.18604	0.8
282.16165	3.4
283.16873	1.7
283.20483	0.5
289.18338	0.6
291.17490	1.3
293.15674	0.9
293.19000	3.8
295.16888	2.0
299.16443	5.2
305.18951	0.8
307.20569	2.1
309.18420	3.3
310.19193	0.6
311.16534	0.8
311.20016	12.5
311.23492	0.7
315.16345	0.5
316.83447	0.5
317.17422	7.9
321.18442	0.9
323.16461	0.7
325.21640	15.7
326.22086	0.6
327.19638	1.6
329.21194	2.2
331.20325	0.6
333.18600	2.3
339.19519	2.3
345.20508	1.0
347.22995	0.6
349.21649	2.4
351.19519	4.4
357.20432	0.7
361.25204	1.1
365.24915	2.8
367.22797	5.0
369.20621	22.7
371.23633	1.0
387.21631	0.6
389.24585	4.7
407.25806	36.5
408.25940	1.1
425.26871	28.5
426.26706	0.9
443.27930	100.0
444.28146	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	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
53.08533	1.1
55.01864	3.4
55.05517	34.8
57.03439	9.0
57.07073	3.2
59.05005	7.0
61.02925	8.7
65.03951	1.3
67.05501	5.2
69.03435	26.4
69.07060	2.5
70.06596	8.3
71.04996	2.8
71.21973	2.7
72.08149	3.3
72.93784	1.5
73.02917	2.7
79.05495	9.6
81.03425	10.3
81.07066	11.6
83.04989	45.8
83.08639	2.4
84.08147	1.4
85.02912	68.3
85.06542	5.5
86.09713	1.9
87.04473	2.9
91.03957	2.7
91.05482	15.6
93.07055	11.7
95.04977	16.6
95.08592	6.1
97.02895	19.2
97.06548	3.7
99.04468	3.9
101.06023	24.1
105.06385	2.1
105.07032	17.9
107.05000	3.2
107.08595	17.7
109.02876	7.4
109.06538	9.6
109.10161	5.0
111.08102	2.0
115.03902	1.5
115.05495	2.1
117.07013	8.5
119.04960	9.3
119.08575	19.7
121.06506	7.5
121.10144	18.1
123.04430	1.5
123.08070	6.0
125.06014	4.6
127.03928	13.5
128.06274	2.8
129.07005	4.0
130.07750	2.5
131.08563	6.5
132.95869	1.4
133.10156	14.3
135.08057	10.2
135.11736	7.1
137.05988	2.8
137.09631	7.7
142.07683	1.3
143.08569	8.7
145.04951	13.4
145.06465	4.9
145.10136	17.2
147.03236	2.5
147.04422	46.3
147.08064	23.7
149.09621	2.8
151.07581	3.9
155.08586	1.8
157.10175	6.2
159.08061	9.5
159.11710	6.1
161.09625	12.2
161.13248	1.8
163.07524	2.8
163.11188	100.0
165.09146	3.9
169.10114	1.5
170.10814	1.6
171.07990	1.7
171.11678	2.9
173.13275	2.9
174.96931	1.9
175.11177	2.2
177.05602	1.3
177.09109	15.9
179.10648	5.8
179.14230	1.3
181.08611	2.5
181.12242	32.2
185.09627	1.8
185.13275	4.6
187.11166	5.0
189.09088	7.1
199.14882	1.5
201.12628	1.4
203.14272	7.4
205.12215	4.5
207.10161	19.2
215.14116	1.7
217.15897	2.9
219.13858	1.3
223.13304	2.6
227.14388	4.7
233.15428	5.5
234.99161	2.0
235.17012	1.3
245.15376	21.5
248.93060	1.3
263.07141	1.7
263.16443	58.9
265.05164	5.7
267.77213	1.2
281.08337	2.1
281.17471	35.3
282.11185	6.9
301.32068	1.2
307.15439	1.5
323.09439	3.4
325.16455	2.0
425.21686	4.6
443.22980	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.1
55.01868	15.7
55.05518	26.2
56.05019	4.4
57.00906	3.5
57.03447	8.7
57.07066	12.5
61.02923	11.2
64.21049	3.8
65.03942	5.0
67.05240	3.8
67.05512	48.1
68.99812	3.8
69.03430	52.3
69.07075	41.8
70.06578	5.9
71.04983	16.8
71.22009	10.2
73.02906	8.7
73.06565	4.4
79.05495	31.8
81.03429	57.7
81.07067	60.9
83.04961	15.4
83.08617	14.0
84.08150	91.8
85.02912	100.0
85.06551	89.8
86.09700	15.4
87.00831	38.1
91.05470	32.0
93.07047	76.5
95.04971	20.5
95.08615	75.4
97.02903	50.4
97.06579	19.9
97.10175	4.5
99.04461	26.0
99.08128	9.6
105.01885	26.6
105.07039	43.4
107.04989	5.9
107.08598	48.4
107.48431	3.6
109.02895	41.7
109.06522	15.3
109.10175	47.4
111.04478	3.7
111.08067	6.5
113.09660	25.1
115.03938	11.0
117.07027	12.9
119.08588	38.6
121.06485	9.8
121.10144	73.7
123.08073	12.5
123.11723	12.5
125.09631	9.8
127.03917	53.7
129.01826	5.9
129.06975	5.7
129.10254	5.6
130.08626	10.4
131.08580	18.9
133.06523	5.8
133.10097	24.8
135.08046	10.7
135.11728	18.2
137.06038	6.8
137.09601	10.8
137.13280	10.9
139.11194	8.4
141.09000	4.1
142.07794	4.7
143.08563	18.5
145.05028	27.0
145.06018	4.6
145.10117	18.5
147.02910	6.9
147.07996	9.1
147.11716	24.4
149.09637	12.4
149.13231	11.6
151.07535	12.7
151.11172	10.2
153.09135	13.1
155.08583	8.7
157.10153	11.8
159.02875	22.2
159.11684	19.8
161.09628	8.0
161.13254	14.5
163.07584	4.5
163.11136	10.0
165.09128	25.4
167.07080	7.4
169.10110	7.0
171.11678	11.2
173.13251	16.6
175.11211	9.4
175.14868	9.4
177.09070	6.2
177.16389	38.0
181.10118	5.4
185.09605	6.2
185.13231	5.4
187.14877	5.3
189.12720	6.0
189.16417	12.4
191.10582	5.0
193.10081	5.8
193.15872	7.9
195.11713	4.2
199.11015	4.9
201.16362	7.3
203.14255	4.2
205.12250	4.9
207.17474	7.9
209.13272	6.3
212.47290	4.1
213.04012	5.4
215.07182	4.4
219.17403	6.9
227.14302	11.0
231.04994	7.2
231.17427	5.8
237.89586	4.3
267.17355	7.5
281.17349	5.4
285.18457	9.9
303.19608	10.9
339.12112	8.5
389.19724	5.0
393.26990	4.5
407.20578	9.5
407.32678	17.5
425.33710	21.9
443.18469	15.1
443.27408	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01862	6.4
55.05314	1.4
55.05517	14.1
57.03445	8.6
57.07074	1.7
59.04988	4.8
61.02934	10.6
65.03945	1.8
67.05508	10.1
69.03436	35.4
69.07069	2.5
69.86224	6.0
70.06596	18.2
71.04980	3.1
72.08159	9.7
73.02914	5.1
74.06108	1.5
79.05492	9.5
81.03422	14.2
81.07061	20.8
83.01321	1.8
83.04995	15.3
84.04504	3.7
84.08136	5.2
85.02914	66.1
85.06541	3.8
86.09698	7.8
87.04478	6.0
89.10770	2.0
91.03953	3.6
91.05473	14.2
93.07040	15.6
95.04977	23.1
95.08611	25.5
97.02901	24.7
97.06541	3.1
98.97601	2.3
99.04442	5.5
101.06034	6.3
105.07036	12.4
107.08609	16.9
109.02886	9.3
109.06531	12.5
109.10165	30.6
111.08076	2.6
116.07098	3.4
117.07010	3.4
119.04937	3.1
119.08572	15.5
120.08130	1.8
121.06546	9.2
121.10138	8.6
123.08067	4.8
123.11733	2.0
125.05984	3.5
125.09628	2.7
127.03934	14.1
127.07545	3.1
129.07033	3.2
129.10220	2.6
130.05029	1.3
131.08548	5.7
133.10136	8.9
135.08067	9.6
135.11708	3.0
137.05968	6.0
137.09628	71.3
141.06953	1.7
142.07745	1.7
143.08569	4.1
145.04961	11.2
145.10100	9.2
147.08084	7.7
147.11758	3.7
149.09625	4.9
151.07561	2.2
151.11174	8.2
154.97812	1.6
155.08586	2.4
157.10147	4.4
159.08057	8.8
159.11673	7.3
161.09645	7.7
161.13295	4.3
163.11203	16.3
165.09100	4.8
169.10075	2.0
171.11667	1.5
173.09598	2.0
173.13200	3.5
175.11186	3.4
175.14786	3.9
177.09131	6.0
177.12784	1.9
179.10660	4.8
181.12230	12.0
185.09520	2.3
185.13231	3.2
187.11166	6.4
189.12810	1.8
199.14943	2.6
201.12567	1.7
203.14381	9.1
205.12262	31.9
207.10165	3.9
215.14270	3.7
217.15944	2.2
221.15416	5.2
227.14297	3.3
233.15442	10.7
245.15395	18.9
263.16446	100.0
264.16922	1.5
281.17502	63.0
306.13434	1.7
350.89850	1.4
425.13834	4.0
425.22018	2.4
443.17767	2.7
443.23056	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	442.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06081	1.0
68.05049	1.3
70.06596	68.7
71.51825	1.2
84.88168	1.0
85.02909	1.4
85.06288	0.9
85.62111	1.0
86.09663	1.5
105.07055	2.9
114.05532	8.3
116.07098	100.0
136.07593	2.5
146.05984	2.5
152.16940	1.0
164.07127	1.8
166.83307	0.9
167.08524	5.6
177.07025	2.1
178.07814	2.9
179.08522	2.0
181.10162	1.5
188.07101	2.8
189.07417	1.6
190.07916	1.0
191.08556	17.1
192.04417	1.0
193.10228	4.2
195.08109	5.0
202.07779	2.0
203.08575	2.3
205.06514	1.1
207.08054	1.6
209.09468	1.5
218.09604	1.4
219.08070	18.5
221.09624	3.7
223.07681	2.7
224.32327	1.1
229.07713	1.4
236.10753	11.3
237.69359	1.0
238.12282	9.2
240.10184	8.7
247.07574	1.3
253.13359	40.5
254.11720	10.1
254.13765	1.1
264.10257	2.7
282.11343	9.1
285.80881	1.0
299.13919	62.4
310.10870	1.2
362.14035	3.8
379.16522	11.7
396.19147	2.9
407.15018	1.1
425.17026	11.8
442.19800	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	442.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
54.18008	0.6
54.84707	0.5
55.01875	2.4
55.05512	3.6
56.58042	0.5
57.03451	4.0
61.02932	7.8
69.03436	15.4
69.07081	1.6
70.06596	5.2
71.01340	0.6
71.05001	4.8
71.10480	1.3
72.08158	7.3
73.02926	2.7
75.26305	0.7
79.05542	0.8
81.03418	6.7
81.07052	1.1
83.01321	0.6
83.08626	6.7
84.08113	0.7
85.02909	100.0
86.09706	11.5
86.10191	1.0
87.04488	2.7
87.05597	1.2
91.03961	6.5
93.07030	0.8
95.04994	1.1
95.08633	0.9
96.08138	1.0
97.02900	22.6
98.02426	1.1
99.04453	4.3
99.08119	0.6
101.02372	1.0
101.09670	1.7
103.03976	1.2
109.02894	8.7
111.08104	2.2
113.09650	1.2
115.03927	1.8
116.01688	1.2
116.07098	4.2
120.08141	0.8
121.06512	0.7
123.08067	0.7
126.70825	0.5
127.02980	1.3
127.03927	26.2
129.09142	1.4
136.06210	1.4
137.09654	0.7
138.09169	0.6
139.07541	2.7
141.09116	2.2
141.10236	3.7
144.38733	0.6
145.04968	54.5
151.07564	1.1
155.10674	1.2
155.11824	3.8
162.02220	1.5
163.06027	24.9
167.10635	1.2
179.10797	0.8
183.11324	2.6
185.11812	0.8
191.10628	0.6
197.11818	0.8
200.13950	9.6
204.08565	0.8
209.11784	1.8
215.13901	3.5
227.12825	2.0
228.13504	8.9
245.13791	3.9
257.52170	0.6
262.11157	0.6
263.14798	4.1
325.11414	1.6
327.20245	6.9
442.14932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00274	1.1
53.03948	2.6
55.01870	2.4
55.05279	2.1
55.05519	28.6
57.03433	4.5
57.76743	1.3
58.89764	1.1
61.02930	7.6
67.05507	2.8
69.03433	16.8
69.07069	2.0
69.90460	1.6
69.90878	4.6
70.06599	8.5
71.04990	4.5
72.08155	4.3
73.02931	3.3
79.05511	1.4
81.03435	6.6
81.07053	1.7
82.98226	1.1
83.08625	50.3
84.08157	5.6
85.02910	100.0
85.06544	2.3
85.08498	1.4
86.09709	16.3
87.04474	2.4
91.03966	4.4
91.05494	1.9
93.07056	2.7
95.04988	1.2
95.08633	2.3
97.02895	24.8
97.06528	1.5
98.97581	1.4
99.04456	4.9
105.07047	2.8
109.02894	9.5
113.05993	1.2
115.03889	1.3
116.01669	1.4
116.07096	2.6
119.08562	2.4
120.08101	7.7
121.06503	1.3
123.04448	1.4
127.02996	1.6
127.03938	21.8
128.10762	1.5
129.10280	2.0
131.21609	1.3
135.04420	1.3
136.07524	1.4
145.04976	54.3
156.11313	1.7
161.09634	2.2
163.03958	1.5
163.06030	30.3
167.10709	1.6
171.08073	1.2
175.11972	1.9
187.07567	1.3
189.09151	3.3
191.10678	1.5
205.51636	1.2
209.11696	2.3
215.07086	4.2
227.12886	2.5
241.08676	1.8
245.13972	2.1
265.15482	1.5
266.15781	1.5
267.15564	1.9
278.23950	1.5
315.27612	1.2
325.11343	1.6
424.25592	2.4
442.19409	1.5
442.26501	4.1
443.29849	15.7
448.58325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45045	0.6
54.03472	3.5
55.04253	2.3
56.96569	0.6
57.03440	0.7
69.03422	1.9
70.06599	2.8
70.54514	0.8
70.54844	1.0
72.08154	0.7
73.02935	0.7
74.34002	0.6
80.05033	0.7
81.03456	1.2
81.04548	20.1
82.05324	7.5
84.08144	0.8
85.02901	3.4
87.04469	0.6
97.02888	1.3
98.97595	1.8
108.05588	1.5
110.07183	1.0
116.07111	0.9
116.98608	0.9
121.06503	0.8
122.07158	100.0
123.07942	91.8
127.03934	0.9
136.46315	0.6
144.04817	1.2
144.61104	0.5
145.04979	0.7
147.04376	0.9
158.99771	0.5
160.04288	1.7
165.07751	3.6
172.04262	1.2
177.00691	0.6
228.28127	0.5
239.03746	0.5
281.10690	57.1
282.11069	0.7
323.11707	0.7
383.08246	0.6
385.55856	0.5
408.78345	0.6
443.15988	95.1
444.16357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27304	2.3
69.96764	4.7
69.97157	4.0
70.06600	11.2
83.96881	2.0
84.04473	1.7
84.08147	5.7
91.05510	3.2
93.87029	2.0
97.88077	2.2
98.20749	2.6
98.97600	2.5
114.05544	2.6
116.07108	7.2
118.06554	17.6
120.23751	2.3
130.06534	2.8
132.08095	4.7
142.06561	2.5
143.07344	2.8
144.08096	12.6
146.04858	3.1
146.06027	62.1
159.09210	6.2
163.03976	3.4
170.06013	3.3
188.07083	100.0
205.09747	39.8
214.10777	2.7
240.10295	1.9
253.13382	3.7
299.13989	3.6
395.18170	8.1
406.12860	3.1
441.18759	13.9
442.19644	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	441.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05270	1.2
55.05512	17.6
56.05033	0.7
57.03437	1.1
58.99587	12.0
61.01160	1.2
61.02924	2.1
69.03432	5.4
69.61203	0.7
70.06596	10.1
70.23594	2.2
70.78445	0.7
71.04984	0.8
72.08159	2.4
73.01117	1.3
73.02928	1.1
74.06033	0.9
76.02221	4.3
76.04004	3.5
76.13193	0.8
81.03407	2.8
81.07044	1.2
82.79116	0.7
83.08617	20.0
84.04490	1.6
84.08152	5.1
85.02902	13.9
86.09711	3.9
86.99043	9.3
88.02213	3.4
88.36139	0.7
91.05449	0.8
94.51405	0.7
96.04479	1.0
96.64703	0.7
97.02892	4.5
99.04465	0.9
100.02174	1.9
101.09665	0.9
108.00795	0.8
109.02905	2.3
110.07170	1.4
113.91064	0.7
115.05773	1.2
116.01676	58.5
116.07087	1.3
120.08104	0.8
127.03909	2.7
129.10257	1.6
130.05040	0.9
136.07587	2.1
138.09109	1.1
144.01140	30.4
145.04945	1.7
147.04413	1.2
159.08369	6.6
162.02199	100.0
193.08507	0.9
196.05922	0.9
213.12329	2.5
214.10597	1.3
227.11804	0.9
237.00581	1.2
241.09819	1.3
242.10057	3.0
244.09749	1.4
259.10608	1.3
260.11172	2.1
261.12308	1.3
262.11078	59.7
279.13727	56.1
301.11612	1.3
302.12018	3.2
318.14044	1.8
321.14645	3.8
363.12033	1.4
405.12997	1.8
423.13956	13.9
424.12695	1.0
435.66995	0.9
441.19110	7.1
464.82101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
54.52607	0.8
55.05514	8.3
57.03438	1.8
57.07066	3.8
61.11771	0.9
67.05510	11.1
69.06728	1.6
69.07073	16.0
71.05011	1.2
71.08628	6.7
71.52419	1.3
77.06735	0.8
79.05504	6.3
81.07058	15.2
82.88142	0.8
83.04992	2.6
83.08602	6.2
84.41344	0.8
85.06551	1.8
88.80328	0.9
91.05460	5.2
93.07037	10.5
95.08615	17.6
97.06538	2.4
97.10165	1.8
98.03146	0.9
99.08092	6.7
102.44833	0.8
105.07048	7.0
107.08600	13.0
109.06509	7.9
109.10170	7.7
111.04443	1.9
111.08096	3.5
111.11719	1.0
117.07062	1.7
119.08574	8.2
121.06525	2.0
121.10131	7.5
123.08077	23.8
123.11726	3.0
125.06038	1.7
125.09628	1.9
131.08536	1.6
133.10141	9.6
135.08069	5.0
135.11714	3.7
137.09605	3.1
137.13251	2.7
139.07529	1.0
143.08549	1.0
145.10120	3.2
147.11700	3.2
149.09653	2.6
149.13277	3.4
151.11131	1.1
151.52835	1.0
153.12782	3.4
158.29167	0.9
159.11708	2.6
161.09616	0.9
161.13284	2.4
163.11188	1.4
163.14848	1.8
165.12743	1.9
167.14333	1.3
173.13304	1.5
175.14870	3.0
177.12828	1.6
177.16441	1.3
179.14319	34.7
189.16403	1.5
191.14265	3.1
191.17995	0.9
193.15889	2.3
205.15634	1.4
215.17802	1.2
219.17532	0.8
251.20117	8.3
256.21426	1.6
269.13669	1.6
275.20135	2.5
278.30624	0.8
286.26062	2.0
289.21741	1.2
293.21075	7.3
293.28433	2.1
303.26813	10.3
321.27863	2.2
331.26328	40.1
349.27383	47.1
350.27594	1.1
400.33035	2.1
405.30185	5.3
423.31082	100.0
424.31473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01874	2.7
55.05495	4.2
56.05029	1.6
57.03445	3.0
67.05504	2.7
69.03423	1.9
69.07060	5.3
70.06592	11.5
71.52290	2.0
72.08160	13.9
79.05493	4.1
81.03409	2.3
81.07052	2.5
83.04978	2.4
84.04496	2.3
84.08143	9.0
84.63241	1.3
85.02921	1.9
85.06564	1.6
86.09250	1.6
86.09721	23.0
87.10004	1.9
89.03908	1.7
91.05481	7.0
93.07056	3.2
95.04977	2.9
97.02876	1.7
97.06532	10.6
101.82200	1.4
103.05505	1.6
105.07014	3.7
106.44478	1.5
109.10098	1.4
115.05463	3.5
116.07062	4.7
117.06991	2.5
118.06570	1.6
119.08558	1.9
120.08090	6.3
121.06477	3.8
123.04403	3.8
124.07591	1.6
128.06232	1.7
129.06984	4.7
129.10243	6.5
131.08568	4.2
133.06546	2.7
134.08121	4.4
135.04419	8.0
136.06218	1.4
136.07564	11.4
138.05478	2.8
141.07007	15.1
143.04816	1.7
143.08577	3.0
145.02876	7.5
147.04404	5.1
153.07034	1.8
157.10184	4.1
159.08035	4.5
160.05212	9.8
161.05984	31.1
163.03922	60.4
165.07004	1.6
167.08549	7.3
169.06499	10.1
170.07315	1.7
171.08055	5.6
173.05969	11.8
174.06798	2.9
175.03941	9.9
175.07565	7.5
176.04666	1.8
181.06413	2.1
184.05211	3.0
185.05984	4.2
185.09647	5.5
187.07568	35.2
189.05426	4.8
189.09125	42.4
195.08051	13.1
197.05977	13.2
198.06766	2.7
201.05453	10.8
203.10635	3.3
205.04939	2.6
211.11913	3.7
213.05510	2.7
213.09097	20.0
213.15874	2.0
215.07039	100.0
217.08578	7.7
223.07574	18.4
226.11841	1.8
231.10098	10.0
239.09351	3.0
241.08632	48.3
243.10202	16.6
247.09668	20.2
249.15981	3.6
252.10130	2.0
259.09714	34.0
273.11249	6.9
280.13342	6.1
281.14157	2.5
326.13852	10.4
442.14590	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	440.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68948	0.5
55.05513	1.1
56.05034	1.8
57.03429	1.0
57.07062	1.0
61.48117	0.6
67.05504	9.7
69.05831	0.8
69.07069	1.0
70.06599	1.9
70.63489	1.5
71.05003	0.8
72.86675	0.6
73.89204	0.6
79.05475	0.6
81.03428	1.3
81.07057	1.9
82.06567	0.9
84.08147	100.0
85.02887	1.1
85.06569	0.7
86.09703	2.5
91.05489	5.4
93.07072	1.1
94.06561	2.6
95.04968	1.0
95.08635	0.8
96.08156	0.9
103.05473	4.1
104.06262	1.2
105.07046	2.4
108.90565	0.6
112.07618	0.9
117.06957	0.6
119.04951	1.9
119.07336	0.6
120.08115	33.3
121.06496	0.6
123.04440	1.7
124.07588	0.7
127.38453	0.5
129.01904	0.9
129.07013	0.9
130.06552	3.0
136.06197	15.9
136.07593	7.2
142.58568	0.6
144.08107	1.6
147.04449	1.5
155.14247	1.2
156.14671	1.0
161.09602	0.6
165.05484	6.3
182.08168	4.5
184.11229	2.7
185.09613	1.0
186.12796	18.3
189.03893	1.2
189.09137	2.5
202.12321	1.2
214.12277	1.3
219.14940	6.2
231.14969	0.9
234.13489	3.8
248.12784	1.2
265.15482	81.7
321.19760	1.3
367.20154	5.4
368.23349	0.8
377.18433	1.5
386.81107	0.5
395.19656	30.0
396.20016	0.7
412.22342	12.7
423.19171	4.8
440.17355	5.5
440.22717	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	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75947	3.0
53.03947	7.9
55.01867	6.0
55.05517	18.7
57.03428	9.4
57.07066	10.9
61.02916	9.0
62.10929	2.7
69.03436	45.2
69.07076	18.6
71.04989	7.5
71.10963	6.8
72.08160	4.6
72.42681	2.9
73.02911	8.7
79.05489	6.0
81.03428	31.4
81.07059	8.3
83.08627	55.5
83.09119	4.0
84.08146	4.8
85.02910	100.0
85.06532	7.2
86.09699	7.1
87.00834	50.1
89.75062	3.0
91.05478	7.4
93.07047	4.6
95.04993	3.4
95.08572	4.7
97.02888	38.5
97.10188	16.8
99.04436	16.7
99.08083	4.4
105.01867	65.1
105.02495	5.9
105.07008	7.9
107.08543	3.9
109.02888	39.4
116.54154	2.7
117.01917	3.6
119.08595	5.3
120.08064	3.2
121.10117	3.5
127.03915	93.3
131.08554	3.7
133.10126	3.6
145.04942	29.9
145.10109	3.8
147.11696	3.3
157.15871	60.7
159.02853	7.6
175.16901	4.6
184.07430	3.4
212.16510	8.5
213.03963	4.3
231.05035	36.6
249.06145	4.4
254.17606	5.4
260.20956	4.6
272.18503	4.0
369.19232	4.9
387.20001	3.7
440.24225	7.8
440.30331	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	440.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.6
55.56876	5.1
57.03447	6.8
67.05502	14.9
69.07077	83.6
69.20358	20.2
69.20756	31.2
73.06564	7.3
79.05491	12.8
81.07050	27.8
83.08633	11.6
85.43859	5.6
91.05454	9.4
93.07059	16.3
95.08616	23.3
97.06519	14.9
98.21617	6.2
99.08085	6.7
105.07034	30.8
107.08608	24.6
109.10162	17.8
115.07594	17.8
119.08601	9.7
121.10146	27.4
123.11741	7.0
133.10149	11.3
135.11703	13.6
145.10147	20.4
147.11708	15.1
149.13306	12.6
159.11731	10.2
161.13268	11.6
173.13289	7.2
175.14874	12.3
181.12256	8.8
189.16415	9.8
201.96828	5.8
203.18036	6.5
215.18008	22.6
217.19641	11.0
255.21126	100.0
273.22168	12.0
285.25772	70.0
381.31589	32.6
392.00055	6.6
399.22409	6.8
399.32642	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.8
60.42514	0.2
65.03925	0.5
67.47971	0.3
70.07161	1.0
72.08159	7.1
75.09233	0.5
81.03407	0.7
84.08137	0.9
91.05480	6.5
112.11237	3.5
119.04943	19.8
120.13733	0.3
129.13892	1.9
136.06187	5.1
146.16527	1.4
147.04410	100.0
148.04758	0.9
155.11797	1.2
172.14516	0.4
193.12210	0.5
203.11827	1.0
204.10205	38.0
205.10539	0.4
218.11768	5.3
221.12822	0.8
235.14452	0.7
274.19229	0.7
275.17545	3.6
292.20197	10.8
420.22791	1.2
421.21008	0.6
438.23883	69.6
439.24063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98222	0.5
55.05518	15.0
57.02377	0.5
58.99588	19.3
61.01154	1.7
65.03939	0.7
67.05507	0.8
69.49747	3.0
70.06595	5.4
72.08160	3.0
72.12449	0.5
73.01137	1.5
76.03999	3.2
79.05497	0.9
81.03410	2.7
81.07062	2.1
83.08630	14.1
83.09122	0.8
84.04515	1.3
84.08143	2.3
84.08952	0.7
86.09711	3.3
86.99061	14.6
88.02219	9.8
91.05490	2.5
92.05820	1.0
93.07059	1.0
94.06620	0.5
95.04950	1.3
95.08614	1.0
97.02908	1.0
101.09653	1.4
103.03941	1.0
105.07060	0.7
107.04963	1.0
107.08591	0.7
112.11199	1.2
116.01685	59.8
116.07066	0.5
119.04963	5.3
119.08559	0.6
120.05274	2.0
120.08096	0.9
121.06516	0.6
121.10114	0.7
128.06236	0.5
129.07172	0.7
129.10229	0.7
130.04976	1.3
131.03423	0.7
136.06200	15.3
137.05742	1.4
137.06520	3.7
141.07159	0.6
144.01152	25.4
146.16476	0.6
147.04422	23.6
148.04759	11.5
148.05946	0.6
159.08414	6.4
162.02211	100.0
174.02309	0.6
183.14877	1.9
186.32320	0.5
191.04828	1.0
193.12338	0.8
199.07552	0.5
204.10231	8.0
205.10565	7.1
211.14372	1.4
214.96085	0.5
218.11829	0.9
219.12039	0.8
244.10103	1.3
262.11102	35.0
267.15891	1.2
273.12674	0.6
274.19205	0.5
275.17593	0.6
276.17838	0.9
291.13467	0.6
292.20160	1.3
293.20566	2.0
324.22928	1.0
336.14651	0.6
421.23071	1.4
439.17444	4.2
439.24081	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	440.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67646	0.6
58.99590	5.7
61.01138	0.9
67.05527	0.8
70.06570	0.7
70.55828	2.5
71.41634	0.8
76.02240	6.0
86.99050	1.6
94.73334	0.7
100.02203	5.7
102.03746	1.3
105.00103	2.0
120.08134	1.3
122.06068	1.2
136.07565	2.2
138.05508	1.3
143.08553	1.0
146.02713	6.7
150.05505	1.1
158.57425	0.8
170.08443	0.8
172.07544	1.6
175.08743	4.6
178.03252	1.1
186.09149	3.3
188.03841	1.4
189.10220	2.3
196.07590	3.1
198.09210	5.2
199.08705	1.7
200.07173	1.1
200.10860	1.0
202.12256	1.3
210.09155	1.4
213.10243	9.9
214.08682	3.1
214.10930	1.6
215.11717	3.5
217.09709	5.0
226.07225	1.8
227.08105	1.6
227.11806	3.0
229.09863	0.9
231.11278	1.0
235.10803	6.7
239.08231	0.9
240.08937	2.8
241.09723	31.8
242.08102	3.6
243.11342	20.3
254.06425	1.6
254.10484	1.6
255.11345	4.6
256.07050	0.8
257.12979	1.6
258.12393	9.5
259.10806	23.8
259.13556	1.4
260.09103	1.5
265.15488	1.7
271.13272	2.2
273.06921	1.6
273.12302	1.4
282.10010	1.5
283.10785	9.1
284.09225	1.9
284.13974	1.4
285.12289	12.8
286.09564	2.0
299.08633	3.2
299.12933	0.8
300.06851	1.1
301.11871	29.9
302.10260	2.6
303.13541	4.3
316.11072	1.0
317.09869	1.6
317.13708	19.6
318.12735	4.2
319.13031	5.6
344.16498	0.9
360.13876	1.3
362.11685	9.9
363.10071	3.2
378.15057	1.2
394.35645	0.9
395.19800	2.6
404.12814	19.2
405.11099	5.4
422.13824	100.0
423.12149	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	438.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.05500	0.8
57.03419	1.1
58.06595	0.2
61.75819	0.3
67.05513	1.8
69.03418	0.5
69.07068	0.6
70.06588	0.6
71.15418	0.3
71.52572	0.3
72.08153	2.2
73.02890	0.4
79.05497	1.9
81.03424	9.4
81.07034	1.4
83.04977	0.6
83.08620	2.6
84.08131	0.5
85.02896	0.3
86.09702	0.3
91.05486	3.1
93.07057	2.1
95.04965	3.0
95.08595	0.8
97.02903	0.6
97.06545	0.2
97.10160	0.2
105.07023	1.2
107.04946	0.5
109.06505	0.6
109.10117	0.4
111.04444	0.3
111.08100	0.7
112.11255	0.8
119.03558	1.0
119.04935	4.5
119.08591	1.2
121.06490	0.3
121.10143	1.4
129.06996	0.8
129.13895	0.5
131.08566	1.0
133.06468	0.4
133.10146	0.5
134.09656	0.3
136.06187	100.0
137.04590	0.9
137.06566	0.4
137.09590	0.3
139.11166	0.4
142.07751	0.3
146.16553	0.5
147.04416	25.3
147.11655	0.7
149.09630	0.6
152.57571	0.3
155.11800	0.3
157.10138	1.2
175.11266	1.0
193.12244	5.1
201.05486	0.5
203.11861	0.3
204.10214	10.7
204.12105	0.6
211.13322	0.5
218.11815	1.0
220.86845	0.3
221.12994	0.3
241.14378	3.8
259.90109	0.3
260.12833	0.4
267.15955	2.6
275.17648	0.8
285.17090	1.2
292.20175	2.3
335.63351	0.3
420.22446	5.8
438.23871	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2391
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
55.28225	0.3
57.39874	0.3
58.06593	0.7
60.20565	0.3
65.03938	0.5
66.44577	0.3
70.06593	0.4
70.31355	0.3
70.95471	0.7
70.95832	0.4
72.07762	0.5
72.08161	9.8
75.09245	0.8
84.08143	0.8
91.04982	0.5
91.05487	6.6
112.10537	0.5
112.11253	5.0
119.04948	21.1
128.17328	0.4
129.13907	2.6
136.06186	2.0
146.16539	2.4
147.04420	100.0
148.04716	0.8
155.11806	1.5
172.14456	0.5
173.64529	0.3
203.11812	1.0
204.10217	39.8
205.10583	0.5
218.11746	3.8
221.12933	1.4
275.17578	4.8
292.20203	10.4
420.22925	1.3
421.21420	0.9
438.23917	65.8
439.24203	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01882	1.2
55.05504	2.0
55.50745	0.8
57.03437	2.5
59.05018	1.0
61.02913	1.1
67.05499	2.8
69.03432	7.6
69.07059	3.9
70.70377	0.9
70.70717	1.6
71.04976	1.8
71.08636	48.4
72.08141	1.2
73.02917	1.6
79.05495	1.4
81.03418	5.9
81.07076	4.4
82.07409	1.2
83.08614	1.7
85.02911	19.0
85.06551	1.4
87.00833	9.5
91.05498	2.7
93.07051	1.5
95.08604	2.9
96.08934	1.0
97.02885	8.6
97.10151	1.0
99.04441	3.6
99.08102	100.0
100.08433	1.0
105.01859	5.7
105.07029	2.0
107.08585	1.0
109.02893	5.6
109.10178	3.0
110.07135	1.0
110.10546	1.1
117.01822	1.3
119.04898	1.8
119.08576	1.6
121.10126	1.4
127.03921	12.0
129.12766	12.0
135.11682	1.1
135.16652	0.9
145.04971	4.0
145.10065	0.9
147.04413	10.1
147.11728	1.1
155.14351	3.1
159.02885	2.9
159.11717	1.1
159.92995	0.8
161.13258	2.6
173.15384	70.3
198.58659	0.8
204.10220	4.7
231.05095	2.0
273.22119	1.2
292.20010	1.4
384.33243	1.4
402.34586	2.8
405.33362	0.9
438.24072	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	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16115	0.4
53.03949	1.4
55.01880	1.7
55.05510	1.3
56.10082	0.4
57.03431	1.5
57.07089	0.5
59.05001	0.7
61.02925	1.7
64.22838	0.4
67.05510	0.6
67.35428	0.4
68.99765	0.6
69.03430	5.8
69.07069	3.7
69.33766	3.7
71.04998	1.1
71.08636	49.1
73.02927	2.0
73.54371	0.4
79.05511	0.5
81.03421	5.6
81.07052	1.3
85.02912	15.0
87.00840	7.0
91.03975	0.5
91.05482	0.7
95.08620	1.2
97.02897	7.4
97.06493	0.7
99.04456	3.4
99.08099	100.0
105.01866	5.0
105.07030	0.5
109.02910	4.7
117.01827	0.7
117.49448	0.5
121.10209	0.5
125.41578	0.4
127.03925	8.8
129.01830	0.8
129.12761	11.2
145.04951	4.2
147.04431	3.3
155.14313	4.6
159.02924	2.3
173.15385	68.5
173.51761	0.5
183.66740	0.4
184.59436	0.5
201.45981	0.4
204.10182	1.6
213.03886	0.7
218.11954	0.6
231.05006	1.1
234.75346	0.5
401.61676	0.5
438.24039	2.0
443.34851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01854	3.5
55.05524	20.7
57.03428	8.7
57.07063	5.7
61.02924	3.9
65.03941	2.4
67.05180	3.1
67.05508	41.2
69.03412	10.6
69.07084	29.1
70.33324	7.5
71.04989	4.4
71.08620	10.1
73.02934	3.2
79.05489	29.5
81.03408	9.5
81.06598	4.8
81.07062	89.8
82.29143	2.0
83.08616	9.5
83.41218	2.4
85.02909	16.5
85.06550	18.1
85.59129	2.1
87.00848	2.3
91.05485	16.8
93.06586	2.4
93.07062	27.8
94.38654	2.4
95.04946	4.8
95.08619	55.6
97.02874	6.7
97.06540	9.4
97.10172	9.8
97.10843	2.4
99.08096	100.0
105.07040	22.7
107.04977	4.7
107.08600	33.4
109.02883	4.2
109.06490	5.9
109.10162	58.2
113.09661	5.4
117.07006	7.7
117.09158	3.9
119.08594	27.7
121.10149	24.1
123.11681	6.6
125.09576	2.6
127.03884	7.1
127.11193	12.2
129.07040	3.2
129.12740	3.5
131.08591	13.0
133.10129	17.7
135.11729	22.6
137.09613	2.7
143.08533	3.0
145.06523	2.7
145.10162	17.7
147.04385	7.4
147.11697	26.6
149.13254	13.2
151.11205	2.5
153.12773	11.5
155.08658	3.0
157.10081	5.0
159.07967	3.1
159.11696	13.6
161.11981	4.4
161.13268	55.0
163.11176	5.0
163.14856	4.6
167.14270	2.8
173.13229	3.2
173.15379	21.3
175.14803	5.8
177.16391	4.3
185.13338	4.1
187.14819	9.0
189.11151	3.3
189.16449	3.3
195.17480	3.0
197.13286	3.0
199.14590	3.3
201.16406	6.5
203.18054	3.3
204.34883	2.2
213.16470	3.0
215.17996	22.9
227.12662	2.8
233.18968	5.2
241.19525	5.3
255.21114	18.9
257.18988	2.8
257.22638	6.7
259.20654	5.7
273.22147	76.7
275.19992	6.4
285.25809	9.6
289.25006	2.8
301.24902	3.0
365.31924	3.8
383.32999	21.4
401.34207	63.8
422.68933	2.5
437.25259	8.8
437.30392	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	437.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18279	0.7
56.05058	0.7
56.96570	19.2
57.70642	0.7
60.65424	0.6
69.03423	2.2
70.06606	0.9
70.15894	2.5
70.60661	0.7
73.02932	0.9
81.03437	1.0
81.07110	0.8
84.08160	1.4
84.96050	3.7
85.02911	4.7
87.04478	1.0
89.03914	1.0
97.02902	2.1
98.97592	100.0
99.04477	0.7
100.99123	0.7
110.97583	10.4
112.07613	1.0
112.99197	1.7
116.98631	28.3
123.05569	1.0
124.99165	1.5
127.00637	1.1
127.03955	1.6
128.98627	9.6
129.02332	1.1
130.08667	1.5
131.00201	2.3
132.98073	1.1
134.99681	5.6
135.04506	1.2
140.00197	1.6
140.98578	1.0
141.02322	0.9
141.06578	1.8
143.00169	3.5
144.98077	2.2
145.01770	1.6
146.99661	3.6
147.03291	3.9
147.04375	1.4
149.01289	0.7
150.99344	0.7
152.98633	2.4
155.04630	1.4
157.01804	0.8
158.99673	48.1
159.03261	3.5
159.06392	0.8
161.01305	1.7
163.02757	1.0
163.03954	3.6
165.04330	1.8
170.96075	0.9
170.99715	5.1
171.03368	1.2
172.97607	1.1
174.99240	0.9
175.02791	1.5
177.00726	31.6
177.04285	1.6
183.03316	1.0
186.04320	1.0
187.02840	1.1
189.00760	2.5
189.04387	3.2
190.98679	2.5
193.00128	1.0
200.02350	1.4
201.00699	4.4
201.04277	3.6
205.03888	0.9
208.99791	1.5
213.04387	1.0
215.06006	0.9
217.00255	1.1
219.01773	28.0
219.05177	1.4
229.03876	0.8
229.05876	1.0
231.05405	1.9
232.99626	2.0
237.02821	22.6
243.05548	1.9
255.03967	1.2
257.14951	1.6
261.02612	0.7
263.00693	1.1
263.77853	0.7
279.00296	1.0
279.03815	0.9
291.07471	15.0
303.04114	1.3
303.07544	20.9
307.96277	0.7
309.08575	24.1
321.08615	16.2
377.07715	1.1
391.09164	1.7
393.10641	4.8
401.07660	2.1
419.08737	9.9
437.09671	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05506	0.6
56.04312	0.4
57.07083	5.9
58.06583	1.7
61.02928	0.6
63.48615	0.5
64.02876	0.5
67.05492	0.8
69.77428	1.1
69.77827	2.3
70.06603	14.3
71.08627	1.9
72.08159	0.5
79.05476	0.9
85.02914	0.8
85.10162	0.8
88.07641	18.4
91.05496	0.8
93.07036	0.8
95.08596	0.6
102.09192	15.9
103.01849	2.3
103.16918	0.4
105.07017	0.9
135.04433	3.7
149.79596	0.5
153.05455	0.9
161.13263	1.3
162.13644	0.7
163.03915	69.8
163.05042	3.9
207.06555	73.4
212.23810	0.8
255.21245	0.8
256.21652	1.7
256.26373	48.6
271.53860	0.5
286.43091	0.5
392.93494	0.5
436.30649	100.0
437.31110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73986	1.4
52.24708	1.5
53.03952	8.2
55.01865	5.3
55.05504	4.8
55.77786	1.3
57.03428	5.0
58.81102	1.6
61.02917	5.0
65.03945	2.9
67.05498	7.1
68.99793	3.0
69.03434	19.0
69.07065	4.6
70.06596	3.7
71.04994	4.1
71.52413	1.8
71.74369	1.6
72.08160	2.8
72.54707	1.7
73.02916	6.3
77.71082	1.6
79.05495	16.1
81.03421	23.3
81.07048	11.5
83.04993	2.6
84.04527	1.7
84.08173	1.8
85.02905	54.0
85.16890	1.9
86.09708	4.8
87.00837	20.8
91.03970	2.2
91.05476	17.7
93.07047	83.4
95.04955	5.3
95.08607	16.2
97.02897	29.1
97.06541	7.7
99.04456	13.1
105.00162	4.0
105.01880	33.6
105.04463	1.9
105.07031	8.7
107.08598	100.0
109.02871	25.1
109.06502	2.2
109.10158	7.2
115.03935	3.8
117.01875	4.1
119.08556	3.1
120.08118	2.0
121.10152	2.6
127.03928	53.6
129.01839	2.7
134.06018	2.6
135.11696	83.8
137.13266	3.1
145.04974	32.7
147.02898	3.0
153.12752	9.5
159.02902	18.3
165.12773	1.7
167.07101	2.8
177.04004	1.7
181.04993	2.6
193.89937	1.7
199.12303	7.0
211.08615	1.8
212.09454	5.4
213.04054	2.0
227.11816	33.8
231.05009	15.1
243.13777	4.0
249.05916	3.6
253.13454	2.3
255.11360	17.3
261.14798	2.4
265.08640	2.0
269.12845	13.0
287.13947	18.8
297.12378	13.2
304.05383	8.3
315.13403	50.2
348.12161	1.8
365.16324	1.9
384.43347	1.8
387.10757	1.7
418.15839	1.7
436.22589	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01861	5.5
55.05503	5.1
57.03423	3.2
57.07065	1.6
61.02923	3.4
65.03919	2.0
67.05509	8.8
69.03432	19.8
69.07053	5.8
69.33291	2.6
69.33698	8.8
70.06579	2.1
71.04981	3.9
72.08149	1.9
73.02910	3.4
76.41949	1.5
79.05495	15.8
81.03418	17.7
81.07059	11.8
83.08614	2.2
85.02908	45.9
85.06525	1.9
86.09702	3.4
87.00829	27.6
91.05480	20.8
93.07045	78.7
95.04950	5.4
95.08605	20.0
97.02899	22.0
97.06512	2.9
98.21534	2.3
99.04453	7.5
105.01872	37.7
105.04532	2.1
105.07040	8.1
107.04906	1.7
107.08596	100.0
109.02891	14.6
109.06518	3.1
109.10148	3.8
110.07161	1.6
117.01841	2.2
119.06084	1.6
119.08558	5.4
121.08423	2.0
123.04430	3.7
123.08009	1.8
127.03918	41.6
129.01825	1.5
133.10133	2.5
135.11697	65.2
145.04964	25.9
147.11636	1.8
153.12726	6.7
155.11781	1.3
157.10023	1.8
159.02934	8.7
161.04453	1.4
170.15341	2.4
172.14420	1.6
177.12723	1.8
183.11684	2.0
189.03966	2.1
219.13948	1.6
231.05000	11.6
237.08983	1.8
249.05984	4.9
263.07153	1.9
265.08502	3.3
291.06454	2.5
365.16022	2.2
383.17023	2.6
436.22510	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73986	1.4
52.24708	1.5
53.03952	8.2
55.01865	5.3
55.05504	4.8
55.77786	1.3
57.03428	5.0
58.81102	1.6
61.02917	5.0
65.03945	2.9
67.05498	7.1
68.99793	3.0
69.03434	19.0
69.07065	4.6
70.06596	3.7
71.04994	4.1
71.52413	1.8
71.74369	1.6
72.08160	2.8
72.54707	1.7
73.02916	6.3
77.71082	1.6
79.05495	16.1
81.03421	23.3
81.07048	11.5
83.04993	2.6
84.04527	1.7
84.08173	1.8
85.02905	54.0
85.16890	1.9
86.09708	4.8
87.00837	20.8
91.03970	2.2
91.05476	17.7
93.07047	83.4
95.04955	5.3
95.08607	16.2
97.02897	29.1
97.06541	7.7
99.04456	13.1
105.00162	4.0
105.01880	33.6
105.04463	1.9
105.07031	8.7
107.08598	100.0
109.02871	25.1
109.06502	2.2
109.10158	7.2
115.03935	3.8
117.01875	4.1
119.08556	3.1
120.08118	2.0
121.10152	2.6
127.03928	53.6
129.01839	2.7
134.06018	2.6
135.11696	83.8
137.13266	3.1
145.04974	32.7
147.02898	3.0
153.12752	9.5
159.02902	18.3
165.12773	1.7
167.07101	2.8
177.04004	1.7
181.04993	2.6
193.89937	1.7
199.12303	7.0
211.08615	1.8
212.09454	5.4
213.04054	2.0
227.11816	33.8
231.05009	15.1
243.13777	4.0
249.05916	3.6
253.13454	2.3
255.11360	17.3
261.14798	2.4
265.08640	2.0
269.12845	13.0
287.13947	18.8
297.12378	13.2
304.05383	8.3
315.13403	50.2
348.12161	1.8
365.16324	1.9
384.43347	1.8
387.10757	1.7
418.15839	1.7
436.22589	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	435.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01865	4.9
55.05513	24.4
57.03429	6.4
57.07068	4.7
59.05006	2.2
61.02917	4.1
65.03930	4.2
67.05506	42.0
69.03427	9.2
69.07073	35.1
69.61167	4.9
69.61584	8.4
70.06593	3.5
71.04995	2.8
71.08614	2.3
72.08155	5.2
79.05496	29.7
81.03417	7.2
81.07061	100.0
83.04987	6.3
83.08624	10.5
85.02916	12.1
85.06555	19.7
86.09767	2.4
91.05482	24.6
93.07048	37.6
95.04958	7.4
95.08617	39.6
97.02898	8.4
97.06544	19.3
97.10169	6.5
99.08096	69.6
105.07037	37.7
107.04948	7.7
107.08599	34.6
109.02902	2.2
109.06519	4.6
109.10159	57.3
111.08066	3.9
113.09644	5.1
115.05484	3.3
117.07025	13.0
119.08588	19.9
120.08094	6.4
121.06493	6.2
121.10149	27.7
123.08097	2.2
123.11731	10.0
125.09615	3.6
127.03885	3.2
127.11211	12.7
128.06197	2.1
129.07016	13.0
131.08563	26.7
133.06496	3.0
133.10130	42.9
134.79022	2.6
135.07986	5.4
135.11728	11.1
135.98070	2.0
137.09627	2.7
141.06961	4.0
142.07779	8.4
143.08578	14.5
145.06526	3.7
145.10138	31.5
147.08078	2.2
147.11684	26.1
149.13275	9.7
151.11205	6.1
153.12733	6.5
155.08594	5.3
156.09370	2.5
157.10132	47.9
159.11696	38.8
161.09605	4.1
161.13254	9.4
163.03862	2.6
163.11209	5.6
163.14833	2.8
167.07053	10.9
167.14241	2.6
169.10110	10.1
169.15851	4.6
171.11708	19.9
173.02370	2.8
173.09697	2.7
173.13234	14.5
175.11298	11.0
175.14830	2.5
181.04970	19.0
183.11705	12.1
185.13257	13.8
187.14856	6.7
195.11690	5.4
197.13258	9.7
199.14891	11.0
201.16339	2.9
203.03535	2.9
209.13283	3.9
211.14824	14.0
213.16394	26.6
215.07092	3.0
215.14270	2.8
217.08627	2.4
223.15080	2.9
225.16440	6.8
227.17874	3.1
229.15976	5.2
231.17488	7.5
233.08104	7.2
239.17999	10.6
241.19553	3.0
251.17877	2.9
253.19539	37.1
255.17232	4.4
255.21025	22.1
257.19009	4.6
259.09714	4.3
263.09320	2.8
271.20584	77.9
273.18570	4.6
273.22107	5.7
283.24152	4.1
287.23450	2.8
299.09152	5.4
301.21606	2.4
323.27057	2.3
363.30554	5.1
378.77930	2.2
381.31601	31.7
387.14224	2.2
399.32578	56.2
417.15506	6.1
417.22510	3.9
435.14420	7.2
435.23560	7.6
435.28632	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	435.2747
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03923	1.3
54.46783	0.9
55.01856	1.1
55.05516	16.1
57.03421	2.3
57.07073	3.2
61.02903	1.1
65.03948	2.2
67.05505	20.8
68.74763	1.0
69.07072	20.3
71.04974	1.2
71.23486	1.0
71.52508	1.5
79.05493	11.3
81.07063	23.4
83.04994	2.0
83.08625	12.0
85.02916	2.2
85.06530	1.6
85.10171	0.9
91.05498	18.9
93.07045	16.0
95.04968	4.2
95.08614	17.2
97.02892	2.0
97.06541	4.3
97.10166	12.3
99.08099	2.2
105.07035	9.0
107.04963	1.8
107.08601	8.8
109.06499	5.9
109.10163	11.5
111.08096	2.4
111.11716	6.5
113.09619	1.4
114.84833	1.0
115.05458	1.1
117.07011	2.7
119.04961	20.9
119.08593	7.8
121.10140	10.5
123.08066	2.2
123.11713	2.5
125.09581	1.6
125.13209	2.6
129.06963	1.8
129.09114	1.2
131.08588	3.7
133.10129	8.6
135.11685	8.1
137.09627	2.8
137.13173	1.5
139.11171	2.7
141.98413	1.1
143.08572	2.9
143.10661	1.2
145.10127	2.8
147.04419	100.0
147.11691	7.8
148.34065	1.3
149.09595	2.7
149.13303	3.6
151.11194	1.2
151.14813	2.3
153.12766	2.8
155.08536	1.4
157.10211	2.0
159.11707	3.4
161.09550	1.6
161.13268	7.8
165.05487	6.6
165.12778	1.7
171.11678	2.4
171.13855	1.0
173.13248	1.4
179.08592	1.3
179.14334	2.3
191.17897	1.3
193.19484	2.1
217.19553	11.9
221.18600	1.1
235.20587	14.8
253.21606	10.9
255.21095	5.7
271.22742	1.2
315.23297	1.2
325.21719	1.2
343.22580	3.8
356.68423	1.1
407.79886	1.1
417.26465	2.3
435.23233	1.0
435.27518	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	435.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.0
55.33060	0.9
57.03444	2.0
57.07084	2.4
57.13435	1.4
57.24192	1.1
62.66643	1.0
65.03939	2.6
67.05500	14.5
69.03429	1.4
69.07067	19.5
69.54083	3.6
69.54519	3.7
71.04983	1.7
75.10642	1.0
75.47890	1.2
79.05499	9.1
81.07063	17.6
83.05019	2.7
83.08626	12.2
83.34399	1.0
84.37444	1.1
85.06548	1.9
91.05488	13.8
93.07053	9.1
95.04990	1.9
95.08609	13.1
97.06551	3.2
97.10172	11.9
99.08118	2.6
105.07022	6.5
107.04996	1.6
107.08587	6.4
109.06529	1.7
109.10159	8.7
109.13353	1.1
111.08089	1.5
111.11703	8.1
117.07018	2.4
119.04945	20.9
119.08582	7.8
121.10119	8.1
123.11727	3.5
125.09629	1.7
125.13256	2.2
131.08588	2.4
133.10139	5.1
135.11679	7.1
137.09720	1.7
137.13261	1.5
139.11179	2.7
145.10094	1.7
147.04416	100.0
147.11725	4.5
149.13278	2.5
151.11185	2.3
151.14885	2.0
153.12784	2.3
154.15840	1.0
157.12228	1.6
161.13300	3.4
165.05487	15.2
165.12772	2.4
169.12244	1.2
171.11674	1.5
175.14874	2.0
193.19562	2.5
217.19531	13.8
235.20581	15.2
253.21663	10.9
343.22784	1.9
417.26450	2.1
435.22458	1.2
435.27576	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	435.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39656	0.5
53.03929	1.6
55.01865	1.9
55.05512	25.0
57.03436	0.6
57.07064	1.3
58.06599	0.6
60.04514	0.7
65.03934	4.4
67.05511	4.5
69.03423	4.6
69.07072	3.3
69.16143	2.9
69.16571	3.2
70.06601	5.3
71.05001	0.9
72.08163	3.1
74.06051	0.8
74.76455	0.6
78.04713	0.8
79.05494	8.5
80.39924	0.6
81.03423	3.7
81.07042	3.9
82.04181	2.2
82.06577	10.2
83.04987	4.1
83.08621	20.4
84.08137	2.8
85.02910	5.2
85.06532	2.1
86.09708	6.0
91.05483	4.4
93.03418	1.0
93.07043	2.5
95.04958	3.6
95.08595	2.7
96.08096	0.8
97.02893	1.1
97.06545	3.7
98.09705	2.6
100.07613	6.0
100.11261	67.8
103.05460	1.8
105.07029	3.3
107.04959	12.0
107.08583	1.8
108.02126	0.8
109.02880	0.8
109.06541	0.7
109.10145	2.0
110.03661	1.8
110.06039	7.4
111.04450	10.4
111.08072	1.0
112.07605	3.2
115.05445	3.5
116.06262	1.1
117.07040	3.2
117.13880	1.3
119.08572	1.9
120.08097	2.5
121.06512	0.9
121.10132	2.0
122.03637	0.8
123.00869	0.7
123.04427	3.4
123.11716	0.6
124.05212	1.8
125.05997	2.6
125.09624	1.6
126.09193	3.0
127.03910	3.6
127.08681	3.8
128.06209	1.0
128.07060	6.5
129.07014	2.6
130.06537	0.8
131.04941	1.9
131.08595	2.6
133.06491	1.2
133.10211	1.1
135.11710	0.8
137.05969	6.6
138.03079	0.8
139.08665	8.4
140.07068	3.5
141.07022	1.9
142.02634	2.1
144.05708	3.2
145.06496	5.3
145.10159	1.3
147.04373	0.8
147.08043	1.2
147.11717	1.5
149.09637	1.0
152.04657	1.4
153.05443	1.3
155.06049	1.0
157.06494	2.8
159.04366	0.9
159.08034	2.0
159.11739	0.6
160.05226	0.7
161.05984	3.2
163.07556	1.0
163.11188	0.7
164.14339	1.5
165.09068	1.0
166.15932	1.1
167.07045	36.4
171.06563	1.8
172.05202	9.6
173.05914	3.3
175.04002	0.6
175.07521	1.6
177.09126	1.0
179.66035	0.6
181.04958	73.0
182.15402	37.1
187.07523	5.6
189.05492	1.7
190.06296	1.3
191.07027	1.4
191.10735	0.8
192.13895	1.5
195.06500	1.8
200.04706	4.2
201.05414	4.4
201.09183	0.6
202.16772	0.7
203.06906	0.9
205.08600	2.2
206.05751	2.1
209.16498	32.6
210.14902	36.3
213.05513	0.9
217.08707	1.9
218.05707	7.1
219.06416	1.1
219.10100	3.8
220.17752	1.0
221.06126	1.2
221.07976	5.1
223.07870	0.8
226.19150	24.2
226.21405	1.3
227.17598	1.2
228.15965	2.9
233.08087	55.0
234.08551	0.9
235.09671	1.7
237.18405	0.6
245.08090	2.1
245.37413	0.6
247.07527	0.9
247.16975	0.8
251.09061	3.0
263.06610	1.3
263.09167	13.0
264.07617	1.3
265.08679	1.2
265.18051	2.7
271.04352	0.8
273.12326	1.7
279.06421	0.8
279.10028	0.9
280.07507	0.9
285.11185	1.5
289.08258	0.7
293.08105	0.7
303.04950	1.0
307.09552	1.5
308.26770	0.7
309.25418	1.2
311.12811	0.9
323.09207	1.3
325.10614	0.8
335.09061	1.2
335.24457	2.5
336.22803	27.3
339.08496	0.8
339.12283	1.0
353.10220	1.4
355.11832	2.2
356.12668	1.1
357.13525	0.9
367.11722	3.1
371.14975	2.0
381.13443	1.5
384.11929	0.8
387.14447	6.9
399.14545	4.7
417.15546	20.6
417.32172	4.8
435.08865	2.3
435.33310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
51.02381	0.6
51.74439	0.7
53.03954	1.4
55.01874	1.0
55.05509	1.2
57.03422	1.3
65.03947	5.1
67.05496	2.7
69.03442	4.2
69.75439	1.9
69.75833	1.4
70.06603	3.3
72.08144	1.4
73.02918	1.1
79.05497	6.6
81.03413	4.9
81.07054	2.1
82.00553	0.8
82.04194	2.3
84.08127	1.4
85.02900	6.8
86.09700	1.8
87.04477	0.7
91.05504	3.2
93.03405	1.8
93.07059	0.9
95.04984	3.3
97.02900	1.1
97.06519	2.8
103.05470	2.5
105.07044	1.7
106.04205	0.7
107.04961	15.6
108.02108	1.1
110.03660	2.4
111.04410	0.9
115.03889	0.8
115.05425	3.4
116.06269	1.1
117.07019	4.0
120.08127	0.9
121.06519	0.7
123.04419	1.9
124.05201	1.9
125.06010	1.6
127.03934	7.2
128.06209	1.1
129.07013	2.1
129.10233	1.7
131.04953	1.6
131.08565	2.1
133.06487	1.4
137.05992	2.2
138.03146	1.8
141.06960	1.7
142.02589	2.6
143.04932	0.9
144.05728	3.4
145.06494	6.7
151.03941	1.0
152.04672	1.5
153.05452	3.2
155.04871	1.3
157.06483	2.2
159.04335	0.8
159.08058	4.1
160.08936	0.7
161.05966	3.7
165.05489	0.7
166.02731	0.8
167.07048	45.1
171.06540	2.7
172.05193	6.6
173.05977	5.5
175.07559	2.0
177.09109	1.4
181.04965	100.0
182.05353	1.2
183.06602	1.0
185.05943	1.0
187.07524	8.3
189.05441	1.9
190.06250	1.4
191.07066	1.3
191.10696	2.3
193.08615	0.7
195.06499	1.9
198.45901	0.6
200.04689	2.5
201.05461	6.5
202.06149	0.8
203.07126	0.8
205.08614	4.2
206.05771	2.3
207.10052	0.9
207.56580	0.7
213.05513	0.8
217.08565	2.2
218.05698	6.6
219.06451	1.1
219.10167	4.9
221.08057	5.4
226.15610	0.8
231.06458	0.9
233.08084	48.8
235.07533	1.1
235.09700	1.9
245.08073	2.3
247.07745	0.9
251.09106	3.7
263.09216	14.7
280.07245	0.8
293.08182	0.9
295.09476	0.8
303.05069	8.2
306.17300	0.8
307.09793	1.5
308.06906	0.9
309.07651	1.3
315.13232	0.8
323.09076	1.4
324.10004	0.9
335.09268	0.9
339.12436	1.5
344.12579	1.2
352.09329	0.8
355.11606	3.2
367.11749	2.5
368.12650	0.8
371.15021	1.3
381.13354	2.1
387.14429	8.8
399.14560	7.0
405.14642	0.8
417.15460	29.4
435.21542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05513	15.4
57.03419	5.5
57.07079	6.1
59.04991	2.9
67.05508	27.6
68.31574	2.3
69.03427	10.6
69.07068	33.6
70.56159	5.3
70.56486	3.3
71.04991	4.9
78.78071	2.4
79.05505	28.9
81.03424	3.0
81.07054	73.7
83.04980	9.4
83.08617	10.7
85.02888	12.7
85.06520	3.3
91.05483	17.6
93.07046	53.5
95.04964	9.2
95.08605	42.8
97.02883	4.3
97.06557	13.4
97.10187	6.3
105.04536	2.4
105.07030	44.1
107.04980	4.5
107.08591	44.2
109.06533	12.6
109.10160	41.0
111.08094	3.4
117.07034	8.3
119.08579	34.6
121.06506	3.8
121.10148	59.0
123.08073	17.9
123.11713	15.8
125.09652	8.3
127.03909	6.8
131.08553	18.3
133.10138	16.9
135.08084	3.4
135.11690	32.3
135.14700	2.7
137.09602	7.7
138.10405	4.9
145.10138	29.1
147.11697	33.7
149.09662	6.2
149.13246	8.4
151.11203	8.5
157.10123	3.2
159.11684	31.0
161.13266	15.2
163.11188	31.8
163.14844	3.7
167.07027	4.3
173.13260	8.2
175.14862	3.8
176.07083	2.7
177.12787	6.3
181.04926	11.9
182.05147	3.5
186.09177	7.9
191.05499	3.5
191.17870	12.3
201.16385	34.4
209.46405	3.0
219.14130	4.5
219.17450	100.0
233.08093	5.0
235.56856	3.1
270.73001	2.6
345.56769	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	435.1264
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
51.06969	0.5
53.03939	0.7
55.05510	1.4
58.99589	0.5
65.03938	0.9
67.05507	3.8
69.03417	1.4
69.07066	2.0
70.06583	0.6
71.04996	0.5
71.52759	0.9
72.08167	0.5
79.05504	3.2
81.03417	1.5
81.07064	4.0
83.05001	0.5
83.08620	0.8
85.02921	2.8
85.06533	0.8
91.05504	2.3
93.07049	2.2
95.04958	1.3
95.08600	3.6
97.02896	1.6
97.06548	2.4
97.10191	0.6
99.08109	0.6
105.07052	2.7
107.04977	1.2
107.08601	2.1
109.10141	2.0
112.79887	0.5
117.07060	1.4
119.08571	1.5
120.08123	0.6
121.10157	2.3
123.08089	0.8
123.11725	0.7
125.09546	0.6
125.71160	0.5
127.03878	0.9
129.07037	0.7
130.98343	0.5
131.08554	1.5
133.10120	1.6
145.06509	1.0
145.10112	1.0
147.11644	0.9
149.13248	0.6
157.10126	0.8
159.11691	1.1
161.13295	1.0
163.03880	0.8
167.07047	4.1
169.15909	0.6
171.06636	0.6
171.11589	0.6
173.13147	0.6
181.04979	7.4
186.06505	1.3
187.07536	0.9
191.10709	0.6
205.08510	0.5
221.08119	0.9
227.05347	1.4
233.08086	3.5
241.19701	0.5
245.00992	0.5
255.21069	0.9
259.09665	0.7
263.09100	1.2
271.04230	2.1
278.21973	0.7
299.09235	0.9
321.40289	0.5
334.08920	0.7
349.12598	3.7
387.14447	1.2
391.13669	35.4
398.31659	0.6
399.14291	0.8
416.24637	0.6
417.15482	1.8
417.25067	1.7
435.12646	100.0
436.13028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02575	0.3
50.15427	0.4
50.64510	0.3
51.34059	0.3
53.03936	0.5
55.01872	0.4
55.05513	0.4
65.03941	1.2
67.05496	1.1
69.03423	0.8
69.07062	0.9
70.06588	1.0
70.39149	1.0
70.39491	0.5
71.04978	0.5
72.08149	1.3
78.04689	0.6
79.05505	3.7
80.44510	0.3
81.03405	1.0
81.07050	1.3
84.04490	0.4
84.08158	0.5
85.02905	2.0
85.06561	2.1
86.09696	1.6
87.00838	0.3
87.04498	0.5
91.05486	2.1
91.05968	0.3
93.07045	1.4
95.04974	1.6
95.08605	0.9
97.02862	0.8
97.06508	1.0
103.05472	1.0
105.07037	1.3
107.04960	7.7
107.08588	1.0
109.02837	0.4
109.10150	0.6
110.03667	0.5
115.05456	1.5
116.06255	0.7
117.07018	1.6
119.08601	1.0
120.08109	1.0
121.02878	0.4
121.06503	0.5
123.04416	1.2
124.05205	1.1
125.06004	0.9
125.09586	0.4
127.03909	1.0
128.06236	0.8
129.06984	1.3
129.10165	0.4
130.08565	0.4
131.04921	1.0
131.08577	0.7
133.06520	1.9
135.11685	0.4
136.06276	0.5
136.68747	0.4
137.02383	0.4
137.05997	0.5
140.06075	0.5
141.06976	0.5
142.02606	0.6
144.05701	1.5
145.06506	3.6
145.10062	0.4
147.04366	0.6
147.08052	1.0
147.11656	0.5
149.09625	0.4
151.11250	0.9
152.04665	0.5
153.05510	0.8
155.06108	0.9
156.05638	0.5
157.06467	1.4
159.04445	0.6
159.08046	1.2
160.05197	0.7
161.05991	3.7
167.07051	19.5
171.06606	0.4
172.05202	16.1
172.52707	0.3
173.06036	2.8
175.04024	0.5
175.07559	1.7
179.07066	0.4
181.04962	16.4
181.06557	0.8
184.05110	0.5
185.05983	1.0
187.07526	2.1
189.05521	2.3
190.06207	1.0
191.07071	0.7
191.10670	0.4
195.06566	0.5
200.04703	9.1
201.05457	2.3
203.03351	0.4
203.07039	1.0
204.07928	0.4
205.08543	2.4
206.05693	0.6
207.10101	0.8
211.06047	1.1
217.05043	0.4
217.08620	1.5
218.05750	13.7
218.07755	0.9
219.06387	0.9
219.08255	0.9
219.10144	0.8
221.06116	0.7
221.08003	2.7
231.06577	0.8
233.08096	100.0
234.08450	1.5
235.07487	0.6
235.09604	0.7
239.06847	0.4
245.08121	1.0
246.06914	0.6
247.07562	0.5
249.05609	0.4
251.09193	1.4
263.09189	17.5
264.07663	0.6
277.08649	0.8
279.10220	0.6
282.30649	0.4
291.06522	0.5
292.07224	0.6
295.09717	0.5
303.05038	3.6
307.09714	0.6
308.06741	0.4
309.07437	0.5
323.09186	0.4
327.12222	0.4
331.08060	0.8
335.09079	0.8
337.07166	0.5
339.12244	1.1
341.10620	0.4
346.10446	1.1
352.09311	0.5
355.11578	0.9
356.12469	0.4
367.11661	2.1
369.09552	0.7
371.15009	0.5
384.11920	0.6
387.14322	2.3
399.14597	2.7
417.15488	19.0
418.15579	0.6
435.14951	0.5
435.29855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42474	3.7
55.05519	18.8
57.03431	7.3
57.07069	5.8
65.03600	3.5
67.05505	32.1
69.03425	16.6
69.07072	26.2
69.24395	4.5
70.06593	5.7
71.04987	45.2
71.52117	4.6
72.08140	5.5
73.06561	4.6
79.05495	36.9
81.03408	6.8
81.07062	75.1
83.04986	9.0
83.08630	13.5
83.26625	3.3
83.75920	3.3
84.08121	4.2
85.02904	26.0
85.06538	21.2
87.77312	3.5
91.05477	38.5
93.07048	64.7
94.07353	4.2
95.04962	6.7
95.08607	59.8
95.12192	3.2
96.32343	3.3
97.02907	6.9
97.06544	17.4
97.10184	7.0
99.07457	3.3
99.08038	17.8
100.08919	3.9
104.07116	3.4
105.01876	4.2
105.07037	61.4
107.08592	99.2
109.02881	3.9
109.06509	5.5
109.10150	41.8
111.08059	6.6
113.09708	3.9
117.07000	6.2
119.08580	23.7
120.08098	5.2
121.06499	5.1
121.10143	62.6
122.02748	12.3
123.11723	16.0
125.09642	30.8
127.03954	10.3
127.07560	7.7
127.11196	6.3
131.08586	18.4
133.10139	100.0
135.11691	11.4
143.10681	55.9
145.04959	8.7
145.10146	26.0
146.68787	4.0
147.07982	4.5
147.11687	27.7
149.13269	75.1
151.11137	18.2
151.72491	3.8
157.10196	5.4
159.11699	20.6
161.09653	4.7
161.13286	17.7
162.01343	3.7
163.11185	8.1
165.12773	7.2
167.14337	73.4
169.12242	7.4
173.11821	5.4
173.13213	4.0
175.11165	6.1
177.12836	5.7
181.04996	4.0
181.12274	10.7
193.12181	8.0
199.13275	4.7
201.16380	25.7
219.17441	97.6
237.18475	22.2
243.81454	3.5
272.11017	4.9
302.12122	3.5
397.42099	4.2
434.25674	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01875	3.9
55.05510	17.9
57.03432	5.5
57.07074	9.2
61.02936	3.4
65.03939	2.2
67.05514	34.2
69.03423	12.5
69.07070	35.7
70.06591	4.1
71.05003	5.4
72.19204	1.8
79.05500	24.4
81.03444	10.0
81.06590	4.5
81.07063	75.5
83.04981	6.5
83.08630	18.4
84.08141	2.0
85.02915	13.2
85.06550	28.7
86.09746	2.3
87.04449	1.9
88.47497	1.9
91.03982	1.9
91.05485	26.6
91.13119	2.0
93.07050	36.2
95.04967	8.6
95.08614	49.7
97.02909	7.4
97.06557	12.9
97.10153	6.4
99.08115	9.5
105.07043	44.2
107.04948	3.3
107.08596	30.5
109.02891	2.0
109.06545	7.2
109.10172	28.5
111.08067	3.8
113.09653	30.3
117.07016	15.5
118.06525	2.0
119.08590	37.2
121.06524	6.9
121.10147	19.2
123.08083	4.4
123.11697	9.8
123.17898	2.0
125.09636	8.4
127.03937	3.6
127.11169	9.3
128.06232	3.2
129.07034	8.6
130.06535	4.2
131.08580	40.0
132.08095	2.6
133.10130	36.2
134.10509	2.3
135.08051	3.7
135.11688	17.1
137.09637	3.2
137.13263	2.0
139.07555	15.6
139.11156	3.6
142.07802	3.7
143.07425	4.2
143.08565	17.9
143.14316	3.2
144.08128	5.5
145.10141	31.6
146.06004	9.4
147.08043	4.3
147.11694	25.1
149.09633	4.8
149.13286	6.8
151.11246	5.2
153.09096	3.8
154.06540	9.5
155.08553	5.0
156.08112	7.2
156.09308	3.2
157.10136	34.8
158.09659	38.4
159.11723	30.7
161.09624	4.0
161.13275	33.4
163.07552	9.5
163.11195	5.6
165.09140	8.2
167.07175	3.7
167.08559	2.7
167.10745	2.5
168.08119	25.4
169.10147	8.7
171.11707	27.6
172.07716	2.6
173.13255	13.0
175.11075	2.2
175.14874	3.9
177.09148	4.4
180.08017	2.4
181.04958	4.5
181.10124	4.1
183.11693	8.8
185.13264	18.2
187.14825	8.7
188.07098	8.1
191.10620	3.1
193.12317	4.7
194.11824	7.0
195.11768	4.7
196.07635	2.2
197.13376	10.6
199.14832	12.4
200.15308	2.4
201.16420	3.8
203.10637	3.0
205.12338	3.0
207.13791	5.4
211.14908	15.4
212.12866	7.9
213.13066	3.7
213.16406	100.0
214.08604	11.6
215.14377	2.5
215.18015	4.4
219.13712	2.1
223.14935	2.2
225.16374	7.3
227.18021	15.5
229.19525	2.8
231.13889	7.9
231.17480	9.2
237.16379	7.3
239.17854	3.2
241.08734	4.7
241.19449	3.5
245.15387	3.7
245.19029	3.0
255.17555	16.1
255.21022	14.0
258.13409	7.5
259.16968	3.2
271.06033	5.4
271.20355	3.0
273.18509	87.7
273.22076	37.6
275.19949	2.5
285.18472	2.7
287.19931	4.2
291.19547	41.0
337.28876	4.1
341.21024	3.8
342.20776	4.7
355.30017	17.0
357.27390	2.6
359.21960	3.1
361.28757	3.2
373.30933	4.9
379.29944	14.3
397.31027	45.1
415.22849	16.0
415.32086	66.3
416.33145	3.1
433.10001	2.4
433.25507	10.9
433.33054	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	433.3315
Annotation	Isorhodeasapogenin
Peak:m/z	Relative Intensity
53.03939	3.1
55.01857	3.9
55.05519	17.8
57.03417	4.5
57.07062	4.3
65.03929	2.1
67.05509	39.8
69.03406	5.7
69.07072	83.8
69.85664	3.9
69.86053	3.7
70.50594	1.5
71.04993	4.1
72.08150	3.0
73.02901	2.3
73.06562	9.3
75.61755	1.4
77.03954	2.2
79.05019	1.7
79.05497	34.4
80.05817	1.8
81.03426	14.3
81.07059	57.8
83.04970	3.0
83.08621	15.1
84.08130	1.6
85.02904	1.7
85.06548	9.2
86.06078	19.7
87.06374	3.6
91.05486	41.7
92.05828	2.9
93.06502	2.7
93.07052	42.5
94.07395	2.2
94.18062	1.6
95.04968	10.5
95.08614	48.9
96.08121	4.0
96.08927	3.8
97.02863	3.1
97.06542	20.8
97.08432	2.3
97.10154	5.3
98.09662	6.2
99.07584	1.7
99.08099	17.2
99.09979	3.4
100.52506	1.5
103.05459	1.8
105.07033	37.6
107.04926	6.6
107.07881	2.5
107.08598	40.6
108.08135	1.8
109.06494	6.2
109.09470	2.5
109.10161	30.3
110.10445	1.9
111.08046	3.4
113.09642	9.2
115.05448	2.0
115.07572	12.9
116.10738	38.1
117.07030	15.6
117.11069	14.5
119.08592	38.5
119.23354	1.6
120.08907	5.3
121.06508	9.9
121.10149	21.8
123.08038	5.9
123.11690	5.9
125.05925	2.1
125.09620	9.1
127.11183	7.5
128.06203	2.8
129.07024	10.1
131.04933	1.9
131.07758	2.3
131.08577	29.8
133.06416	2.1
133.10136	38.9
135.08020	4.6
135.11694	20.4
137.05956	3.2
137.09612	8.3
138.09949	2.6
139.07521	3.1
139.11104	2.3
141.06931	3.8
142.07652	2.2
142.08627	4.0
143.08556	15.5
144.09325	2.4
145.06468	4.1
145.09065	2.4
145.10127	35.2
147.08102	7.7
147.11697	56.0
149.09581	6.0
149.13278	19.1
151.07607	1.7
151.11165	4.3
155.08569	6.7
157.10147	15.4
159.11703	35.1
161.09583	4.1
161.13260	20.6
163.07486	1.8
163.11163	4.6
163.14827	4.5
165.09126	5.8
165.12723	2.2
167.08620	2.5
169.10077	5.5
171.11688	18.0
173.09622	3.3
173.13287	12.0
175.11227	3.2
175.14839	7.5
177.12737	5.5
181.04939	2.2
181.10173	2.2
183.11635	5.8
185.13245	14.7
187.11137	4.4
187.14812	9.8
189.11252	1.8
189.12749	3.0
189.16420	8.0
191.10687	2.1
193.10152	2.7
193.12234	2.0
197.13217	4.7
199.11076	2.3
199.14844	9.9
201.12668	1.9
201.16353	5.4
203.10628	2.0
205.12222	2.3
209.13329	3.0
211.11096	2.5
211.14857	4.3
213.12723	3.6
213.16380	27.9
215.18034	2.2
217.12244	1.7
225.16298	2.6
227.17899	5.7
231.13794	3.7
231.17302	2.6
237.16257	1.8
239.18021	2.3
241.19521	65.7
243.13654	2.9
253.19547	10.1
255.17336	4.2
255.21135	10.5
257.19342	2.3
259.20590	63.2
271.20523	10.1
271.23999	2.3
273.18549	16.7
273.21637	10.8
281.19296	4.2
283.24188	16.5
289.21597	6.4
291.19449	6.0
298.19827	1.9
299.20319	3.4
299.23441	1.8
301.25275	9.2
313.21262	3.0
317.21426	5.7
323.19946	5.0
341.21237	18.2
355.29898	3.3
359.21979	2.9
379.29822	5.3
385.30991	13.8
397.23730	1.8
397.31058	15.3
403.32101	2.1
415.24860	7.3
415.32025	54.4
433.21991	69.4
433.32965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03944	4.3
55.01867	3.2
55.05515	21.2
57.03421	4.0
57.07063	6.8
61.02924	6.5
65.03937	3.3
67.05515	44.8
69.03413	10.3
69.07076	39.1
70.06591	2.6
71.04997	6.3
73.02915	2.5
79.05499	33.5
81.03430	5.4
81.06591	4.7
81.07063	92.3
83.04979	7.6
83.08628	19.5
85.02908	13.3
85.06550	23.3
86.09691	2.9
87.00800	4.2
91.03953	3.6
91.05488	28.1
92.05833	2.7
93.06482	3.6
93.07051	40.5
95.04964	9.6
95.08612	57.1
97.02876	7.1
97.06545	24.9
97.10151	8.1
99.04436	2.6
99.08100	13.7
105.07046	37.7
107.04958	4.3
107.08600	38.4
109.02886	2.8
109.06529	5.8
109.10158	37.2
111.08068	6.5
113.09658	35.8
116.01028	2.6
117.07023	15.6
119.08591	38.8
120.08061	2.9
121.06496	10.0
121.10163	21.3
123.08065	4.8
123.11717	12.5
125.09639	8.0
125.13245	2.9
127.03933	5.7
127.07463	2.3
127.11189	6.6
129.07014	12.1
131.04991	2.8
131.08586	37.0
133.06461	2.9
133.10143	34.1
135.08054	5.2
135.11710	18.3
137.05968	4.5
137.09547	4.5
137.13234	3.5
139.07600	18.0
139.11139	5.5
142.07748	4.2
143.08572	22.1
143.14319	4.2
145.04968	4.4
145.06480	4.3
145.10146	38.9
147.08086	3.6
147.11713	19.7
149.09619	5.1
149.13246	5.7
151.07561	4.6
151.11162	5.5
153.09042	3.9
155.08536	8.5
155.10703	2.7
156.09303	3.9
157.01082	8.0
157.10129	40.2
159.08028	3.3
159.10287	4.5
159.11696	36.7
161.09714	2.7
161.13248	18.9
163.03886	7.6
163.07544	9.8
163.14781	3.2
165.09117	8.8
165.12752	2.4
167.08502	2.3
169.10117	8.5
170.10907	2.5
171.11688	26.7
173.06000	2.7
173.09654	2.6
173.13252	14.6
175.11200	2.8
175.14763	2.9
177.09117	3.7
179.14317	3.3
181.05006	7.1
181.10172	5.1
183.11697	11.0
185.13280	22.9
187.11256	3.3
187.14809	7.2
188.44228	2.4
189.11160	2.8
189.12794	2.4
191.10698	3.6
191.14270	2.8
193.12170	5.8
195.11777	5.4
197.13315	6.3
199.14865	17.7
201.16360	6.7
207.13774	5.9
209.13211	3.0
211.14807	15.9
213.13092	3.8
213.16394	100.0
214.16812	2.5
215.07030	3.8
215.14354	3.7
215.17912	4.9
225.16373	8.2
227.17955	18.2
229.19417	5.3
231.13815	9.9
231.17442	11.0
237.16449	6.5
239.17838	3.0
241.19424	3.0
243.17358	2.6
245.15326	4.7
245.19041	5.9
247.20538	3.1
253.19727	3.0
255.17575	17.7
255.21185	4.3
259.09628	7.6
259.17041	3.6
270.70407	2.4
273.18518	98.0
273.21710	5.6
281.22739	2.5
287.20264	3.6
291.19507	44.6
299.11786	2.5
323.20032	3.0
336.04596	2.9
337.28992	6.0
341.20917	7.6
342.20642	3.6
355.29938	14.8
361.28915	2.3
369.31607	3.3
373.31018	5.4
379.30133	15.3
389.06439	4.4
397.22574	3.8
397.31058	55.8
403.13879	4.4
415.09802	4.6
415.23978	5.6
415.25992	3.9
415.32144	59.8
415.44788	2.3
433.10934	10.9
433.25494	14.3
433.32883	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	33.1
57.07058	3.4
58.54000	2.5
59.04719	3.1
59.05006	54.3
62.97008	2.8
67.05507	18.9
69.03423	4.6
69.07063	10.9
71.17521	5.5
72.88329	2.5
73.06556	4.1
79.05499	18.3
79.15038	3.1
81.07058	18.8
83.04967	3.2
85.06552	100.0
91.05492	45.3
93.07051	33.6
95.04959	4.3
95.08616	23.8
99.08080	3.9
105.07033	39.1
107.08605	26.5
109.06517	11.1
109.10184	23.4
111.08073	10.9
113.00024	4.1
117.07043	13.5
119.08591	70.7
121.06517	4.7
121.10152	29.2
122.07307	5.6
123.08069	8.0
125.09641	25.2
128.06227	6.1
129.07004	10.3
130.07790	4.1
131.08591	25.8
133.10139	21.9
135.07976	5.0
135.11690	9.9
137.09615	23.1
142.07758	12.0
143.08571	26.9
145.10138	32.9
147.08060	8.4
147.11703	14.4
148.59961	2.7
149.09636	7.9
151.11191	30.4
155.08546	8.9
156.09358	8.1
157.10124	27.2
159.11703	14.4
161.09737	3.7
161.13213	4.1
163.11160	8.2
167.08534	4.6
168.09361	6.1
169.10120	12.7
170.10912	3.9
171.11690	20.2
172.90199	2.8
173.13264	10.1
175.11157	5.0
179.08582	6.0
181.10098	6.0
182.10863	5.4
183.11742	15.3
185.13239	10.0
187.11191	2.7
189.12798	3.9
192.09424	3.6
193.10172	9.5
194.10895	5.9
195.11739	7.3
197.13268	11.5
199.14870	4.2
201.12674	3.1
203.14276	9.6
206.10954	4.0
207.11720	8.0
209.13289	11.2
211.14893	5.2
213.12695	3.2
215.14371	7.0
217.15877	3.5
218.10948	3.1
221.13260	6.1
223.14891	6.0
225.12526	2.8
225.16335	5.0
235.14822	6.2
235.17093	4.0
243.67329	3.1
249.16328	4.4
263.17929	5.4
275.20108	4.8
323.23557	3.3
341.24777	5.8
354.25574	4.5
399.40332	2.6
406.68503	3.4
406.74011	2.9
415.28952	2.9
433.30771	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	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03941	2.7
55.05513	14.4
57.03446	16.1
57.07074	4.3
67.05511	55.7
69.07056	13.9
70.57025	2.1
71.05010	2.4
71.16505	4.1
71.16834	3.7
79.05497	38.2
81.07062	63.5
83.04967	2.5
83.08605	8.9
91.05494	22.3
93.07051	43.3
95.04967	4.7
95.08622	53.9
97.06546	5.6
97.10168	3.4
98.98474	67.0
104.56828	2.3
105.07045	18.0
105.21124	2.3
107.08607	30.4
109.06577	2.6
109.10169	24.5
111.08092	4.3
113.56579	2.2
115.05377	2.3
117.07030	5.7
119.08590	16.0
121.10144	20.1
123.08105	2.8
123.11723	10.5
125.09645	2.6
129.07021	3.1
131.08565	10.1
133.10123	12.7
135.11716	17.4
143.08636	2.5
145.10130	12.4
147.11707	9.1
149.13266	9.1
155.01047	10.1
157.10158	4.2
159.11726	9.9
161.13185	4.8
163.14796	6.4
169.10193	2.3
173.02129	14.3
173.13306	7.1
177.16275	2.6
181.15895	2.8
187.14893	6.1
233.22627	2.6
243.21107	15.5
261.22156	45.8
279.23328	3.3
317.24930	5.7
335.25839	100.0
366.17041	2.7
382.09320	2.4
433.30014	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63281	1.0
53.03948	5.1
55.01876	9.8
55.05511	28.9
57.03436	9.0
57.07083	1.9
58.69500	1.0
65.03927	2.8
67.05508	37.6
68.26060	1.1
69.03421	4.2
69.07066	11.9
70.55453	1.0
71.04982	3.0
71.52444	1.3
78.67875	1.0
79.05498	39.0
79.53886	1.0
79.96050	1.3
81.03423	15.2
81.07059	36.0
82.94095	1.1
82.99377	1.0
83.04993	5.6
83.08617	14.2
85.02905	2.0
85.06551	3.3
87.00756	1.1
91.05482	41.1
93.07049	35.3
95.04965	24.6
95.08613	18.9
97.02919	3.7
97.06526	6.9
97.10175	16.6
99.08109	2.3
103.05468	4.2
103.99286	1.0
105.03407	1.5
105.07031	30.6
107.04964	12.7
107.08590	22.7
109.02861	1.3
109.06509	5.0
109.10166	9.6
111.04444	1.8
111.08079	3.8
113.05994	2.1
115.05457	4.1
117.07021	17.7
119.04932	4.3
119.08583	18.7
121.06495	13.9
121.07270	1.4
121.10145	15.1
123.04415	1.8
123.08043	6.7
123.11713	3.2
125.09634	11.9
125.65388	1.2
128.06232	4.9
129.05548	1.7
129.07008	20.5
130.07809	1.2
131.04936	7.5
131.08572	28.3
133.06493	10.5
133.09227	1.6
133.10141	10.1
135.03368	1.0
135.04414	2.3
135.08096	9.3
135.11711	4.0
137.05951	1.3
137.09630	4.1
137.52705	1.2
141.06989	9.5
142.07729	2.6
143.07430	1.4
143.08563	15.5
145.06502	15.6
145.10136	15.0
147.04573	1.2
147.08015	8.7
147.11725	5.1
149.09634	19.2
149.13309	5.0
151.11192	3.2
153.06979	2.3
153.09183	1.9
154.07748	2.4
155.08571	8.3
157.06516	3.9
157.10123	10.1
158.10559	1.3
158.62740	1.1
159.08092	7.2
159.09233	1.1
159.11702	10.5
161.05984	1.3
161.09621	5.0
161.13268	5.4
163.11232	5.8
165.07053	1.9
165.09140	3.3
167.08565	5.5
169.10103	13.1
170.07397	1.4
171.08057	3.5
171.10291	2.1
171.11664	15.9
173.09641	6.8
173.13193	2.9
175.11243	3.4
175.14857	1.2
177.09052	2.2
177.12776	2.8
179.08607	2.2
181.10208	6.2
182.11069	1.2
183.08133	1.7
183.11691	8.0
185.09666	4.7
185.13280	4.4
187.11200	8.8
187.14821	1.8
189.09322	2.4
189.11221	6.7
189.12798	9.5
191.10689	1.4
193.10185	1.5
193.12323	1.8
194.62663	1.0
195.11752	5.2
197.09677	3.8
197.11545	1.2
197.13297	2.9
198.78094	1.1
199.11247	4.7
199.14882	3.0
201.12791	2.9
203.10654	3.4
205.10249	2.1
205.12294	4.2
209.09790	1.5
209.13295	2.9
211.11143	6.9
211.14833	2.3
213.12784	3.1
215.10773	2.4
215.14351	1.3
217.12231	1.4
223.13295	4.0
223.29967	1.6
225.12839	4.2
227.12714	2.4
227.14703	1.2
229.12299	3.8
231.13869	1.2
233.15402	1.3
239.14481	2.0
243.13895	3.8
249.14935	1.9
257.15384	3.4
259.20624	1.7
261.14948	3.0
267.16046	3.1
273.14975	1.2
273.22150	2.1
277.19440	2.0
295.20642	5.8
301.07150	3.2
305.18961	2.6
313.21576	9.4
323.20020	22.3
331.22763	1.5
341.21109	81.9
359.22214	10.2
369.24213	1.4
377.23218	1.6
379.22910	1.8
397.23813	3.4
415.24802	47.2
433.25934	100.0
433.32181	3.5
434.26187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37556	0.7
55.01872	2.5
55.05505	2.7
57.03441	6.6
60.19144	0.8
61.02917	1.2
65.03930	1.3
65.65981	0.8
67.05508	24.8
69.03419	3.7
69.07052	2.0
70.06585	2.6
71.01356	9.0
71.04997	1.0
72.08155	2.9
73.02922	16.0
75.04476	1.4
79.05482	3.2
81.03426	2.3
81.06595	1.4
81.07054	14.1
82.02184	0.9
83.01344	2.2
83.04969	1.7
84.04481	1.0
84.08138	3.7
85.02911	29.2
86.09705	3.2
91.05485	2.9
93.07049	4.0
95.01321	3.3
95.04985	4.7
95.08615	8.0
96.23275	0.8
97.02889	7.1
97.06533	1.8
99.00819	3.7
99.04433	2.2
99.08097	1.4
101.02362	5.0
103.03951	3.1
105.06986	1.1
107.04942	1.5
107.08584	2.7
109.02879	1.5
109.06528	2.3
109.10160	59.0
113.02367	13.4
117.31870	0.8
119.04937	1.5
119.08567	3.7
120.08126	2.3
121.02892	6.0
121.10121	1.3
123.00779	0.9
123.08077	0.8
125.05994	1.3
129.10220	1.5
131.03435	4.3
137.09622	100.0
141.01822	7.5
145.02838	1.4
155.10744	4.9
159.02896	2.4
163.03940	2.3
165.01810	6.1
165.09120	85.2
167.03412	1.3
167.07092	1.1
167.14290	1.0
169.04930	1.9
171.06551	0.9
177.01956	1.1
177.09262	0.8
181.04948	2.8
183.02972	2.0
183.10214	6.1
187.03996	1.1
187.06029	0.9
189.05368	1.3
197.04419	1.8
201.11217	5.4
210.62759	0.8
211.13315	1.2
212.24544	0.8
213.05475	1.0
215.05518	3.0
239.12790	9.8
255.06573	2.1
256.07303	1.3
257.13837	20.8
267.06552	2.3
270.05249	1.9
271.05930	3.8
279.06616	0.8
281.08121	2.7
281.13867	1.6
283.06018	55.5
284.06744	12.3
295.06009	8.7
297.07599	4.8
299.11765	1.1
299.14972	2.1
307.06158	1.5
308.06662	1.0
309.04077	1.4
309.07449	8.9
311.05557	1.1
313.07071	47.6
321.07581	1.0
323.09094	10.1
325.07346	1.9
337.07053	16.6
343.08084	1.8
349.07059	3.3
351.08612	1.8
351.14462	1.0
355.08093	0.8
361.07025	3.1
367.08075	12.7
369.15344	1.7
379.08273	9.3
379.13544	1.4
387.15979	0.9
397.09131	13.5
397.14792	2.7
403.13885	1.7
415.10245	15.3
415.15582	1.6
433.11234	25.8
433.16998	12.8
433.21066	0.7
433.32324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2296
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
51.43289	0.5
55.05516	7.3
56.05037	1.2
57.05817	0.9
60.04528	11.1
67.05505	0.9
68.50520	0.5
69.07072	5.2
69.37896	2.0
69.38320	2.4
70.02956	1.6
70.06591	5.9
72.08158	100.0
73.08466	0.7
74.06077	0.8
81.07036	0.7
84.04512	3.8
84.08150	6.3
85.02921	0.8
86.06079	0.9
86.09711	61.4
87.05592	4.3
87.10031	0.9
88.04008	2.3
91.05475	0.7
98.06078	0.7
98.09651	0.8
101.07150	1.1
102.05569	1.7
109.10162	1.9
110.07178	0.8
110.09683	0.8
111.03339	0.6
114.09192	3.2
116.07117	1.0
118.35820	0.6
120.08141	2.2
124.07613	1.1
125.10707	0.8
127.08619	0.6
128.10722	0.9
129.10281	2.5
130.05046	1.8
132.10201	4.7
134.04512	1.4
137.09660	2.6
141.10271	0.8
142.08679	0.7
147.07677	0.9
155.11760	0.6
156.07724	0.6
159.07751	1.0
159.11299	23.7
163.03940	1.4
165.09157	2.4
169.09706	3.0
173.12869	9.8
175.07372	0.9
183.11331	4.8
183.31323	0.7
187.07257	0.8
187.10786	12.4
187.14487	0.8
201.12367	14.5
203.06721	1.9
205.11859	0.8
210.69518	0.6
215.10292	5.9
219.13396	11.5
224.11093	0.6
229.11845	1.4
231.09848	0.9
233.11340	27.5
237.15906	0.8
247.12917	1.3
282.18149	10.2
300.19305	2.6
302.13455	2.8
316.15237	1.9
320.14560	5.5
334.16278	0.8
369.21219	1.2
397.20853	0.7
415.21976	2.6
433.11307	1.9
433.16888	2.5
433.23346	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	432.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25881	7.9
55.05520	9.7
66.05724	9.1
66.70799	8.8
67.05499	14.8
69.07061	14.2
69.49577	10.2
69.75288	52.0
75.64660	9.0
79.05502	18.5
81.07061	25.4
91.05491	23.1
93.07042	13.2
95.08616	14.5
105.07050	10.7
121.10231	11.4
121.68027	10.2
131.08539	11.1
133.36508	9.0
138.36467	8.2
184.07391	12.4
269.17468	100.0
351.25223	16.8
371.43591	9.9
432.32782	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	432.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.5
67.05514	46.1
69.07066	33.5
70.30333	43.2
70.30734	39.1
71.40154	23.8
79.05481	34.8
81.03402	27.3
81.07041	51.8
91.05492	36.3
93.07030	47.3
95.08551	26.0
107.08611	41.1
110.36119	19.2
119.08589	43.2
131.08533	30.4
135.11676	31.4
137.05957	37.6
166.03969	20.8
229.14496	23.9
261.04495	22.6
277.21582	39.1
351.25366	40.9
369.26404	71.5
373.39850	20.2
414.30783	35.2
432.24545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.1
60.20831	11.1
65.69760	9.9
67.05497	25.6
69.07057	13.7
71.45623	14.0
71.52408	14.6
79.05490	29.6
81.07044	22.7
83.08630	13.3
90.72363	12.3
91.05451	17.1
93.07039	23.6
95.08623	14.8
105.07044	26.9
107.08617	13.8
109.10136	20.4
121.10140	16.8
127.30883	12.8
131.08585	12.3
133.10120	13.3
137.05986	27.9
138.25999	10.7
149.53519	11.6
173.94092	10.1
216.54730	9.9
268.37933	13.4
351.25201	24.3
369.26471	31.5
404.06555	14.0
432.24072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03934	1.6
55.01862	1.3
55.05504	1.4
56.05021	0.8
65.03947	7.7
67.05502	4.5
69.03407	2.4
69.07056	0.7
70.06586	4.1
70.71785	1.0
70.72109	0.5
72.08137	2.4
79.05499	9.1
81.03408	1.0
81.07064	4.3
82.04208	2.5
83.04976	0.6
84.04494	1.3
84.08147	2.6
85.02906	6.8
86.00635	2.2
86.01104	0.5
86.09707	6.7
91.05492	3.3
93.03384	1.8
93.07030	1.2
95.04974	7.0
95.08589	1.8
96.47680	0.5
97.02867	1.5
97.06511	3.8
99.04486	0.5
101.02360	0.7
103.05431	1.3
105.04522	0.7
105.07037	8.5
107.04961	16.6
107.08605	1.2
108.02070	0.9
109.06570	0.8
109.10161	3.8
110.03684	3.3
111.04431	1.0
111.08092	0.9
115.05464	2.2
117.07040	1.0
119.08567	1.6
120.08090	2.2
121.06474	0.6
121.10170	1.4
123.00782	1.1
123.04433	4.7
123.08028	0.9
124.05192	2.5
125.06030	2.9
127.03893	0.9
129.06996	0.7
130.05005	0.8
130.06567	1.2
131.04907	1.0
131.08566	1.1
132.08150	0.7
133.06505	8.1
136.07571	0.6
137.05978	1.1
137.09624	5.1
138.03116	2.3
140.04672	1.6
142.02597	2.7
145.06465	1.1
145.10104	0.7
146.03566	0.9
147.07661	0.7
149.09587	1.3
152.04648	1.0
153.05478	3.4
155.07068	3.4
155.10725	0.6
156.08427	4.3
157.01085	0.6
159.09264	1.2
160.05186	0.7
161.05994	11.4
163.03923	1.6
165.09123	6.8
167.07045	20.7
171.06552	4.3
173.05922	1.3
175.07545	1.1
177.05505	1.2
177.12732	0.7
178.06252	1.2
181.04959	100.0
182.05214	1.0
183.06519	2.5
189.05487	1.6
191.07033	0.8
193.08621	15.3
201.05409	0.7
206.05739	1.8
207.57962	0.5
215.06946	0.6
219.11430	0.7
221.08093	34.3
229.04762	0.7
233.08022	0.9
236.75206	0.6
242.08478	1.1
249.07591	14.8
251.84155	0.6
259.11218	0.7
260.16132	0.7
264.38013	0.6
265.08682	0.9
330.10080	5.1
353.10248	0.7
358.09985	1.0
373.12827	1.2
384.41946	0.7
385.12650	0.7
403.13889	83.6
404.14313	1.5
433.10141	4.2
433.15442	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	432.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94922	1.9
53.03947	4.7
55.01876	4.9
55.05516	28.2
56.05022	3.2
57.03435	2.7
58.06611	2.1
58.99584	4.2
59.93102	2.5
65.03936	4.3
67.05511	51.6
69.03426	3.5
69.06799	2.0
69.07078	22.7
70.02953	3.2
70.06598	4.5
71.05001	22.2
71.52023	1.9
71.52431	2.3
73.06554	2.5
74.00655	9.4
76.02217	6.3
79.05499	65.8
80.05016	3.1
81.03415	3.3
81.07070	55.3
83.04984	16.1
83.08619	11.9
85.02935	2.5
85.06547	3.9
86.00666	5.7
86.09714	4.1
86.99047	2.3
87.02693	4.5
88.02219	5.2
88.03996	24.8
91.05486	88.0
92.05803	2.9
93.06492	3.1
93.07052	61.9
94.07365	2.6
95.04970	10.9
95.08615	32.7
97.01126	10.6
97.06548	19.1
97.10172	7.6
99.02667	2.7
99.08084	2.5
101.09804	2.0
105.00091	4.3
105.04504	2.4
105.07037	72.8
107.04909	2.7
107.08591	36.1
109.06523	6.6
109.10152	13.0
111.02686	6.7
111.08095	2.9
111.11649	2.5
113.06013	1.9
116.10697	2.7
117.07008	20.6
119.08590	48.2
120.01163	15.7
121.06497	3.9
121.10149	26.3
122.02734	13.1
123.08067	7.6
125.04278	2.8
125.09639	5.7
127.07535	3.4
129.07004	7.3
131.08571	33.8
132.01138	4.7
133.10135	44.7
135.08057	3.0
135.11691	9.9
135.18271	2.2
137.04254	2.5
137.05998	3.6
137.09612	7.6
139.11172	9.5
143.08549	7.9
145.10123	24.2
147.07967	3.0
147.11674	13.4
149.09641	4.7
149.13268	3.4
154.12239	5.1
155.08539	4.4
157.10162	12.2
159.11746	10.5
161.09572	5.3
161.13316	5.2
167.10555	2.3
169.10088	3.5
171.11674	10.6
173.13263	9.3
183.11728	4.3
185.13251	3.8
189.26886	2.1
197.13277	4.7
203.12794	3.0
209.15396	2.5
211.14763	5.0
212.11018	4.3
221.15324	2.8
224.11211	3.2
229.19508	2.5
230.12123	3.7
235.17102	2.3
238.10124	1.9
239.17917	13.0
242.12090	6.2
246.67491	2.3
249.18657	4.7
257.19061	16.2
258.11566	4.4
259.10120	2.3
275.20099	58.8
276.12643	24.1
282.15439	2.0
288.12662	3.9
291.17841	2.3
293.21130	24.5
309.18814	7.2
327.19843	9.0
340.20038	4.4
358.20895	4.5
368.22504	7.1
396.22153	12.0
397.20648	3.5
411.06363	2.4
414.23154	100.0
432.24411	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.1
56.96559	16.6
57.03450	19.8
60.09026	12.5
67.05497	40.6
69.07085	18.5
71.38313	31.4
79.05486	28.1
81.03429	20.8
81.07057	44.7
83.04965	18.1
91.05479	28.8
93.07047	32.6
95.08613	34.9
97.06500	15.6
105.07057	23.7
107.08613	15.0
119.08603	16.7
131.08586	18.3
133.10156	21.2
136.06168	14.2
138.13670	17.4
159.11668	20.9
169.45581	15.7
176.04651	13.5
177.12827	20.3
269.17517	100.0
314.26208	13.3
351.25156	23.4
432.04727	14.6
432.25137	14.9
432.32617	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	431.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05519	13.2
57.03432	6.9
57.07076	1.7
64.69833	1.5
65.01078	1.7
67.05494	6.4
69.03439	1.6
69.07069	22.7
73.80570	1.7
79.05479	6.1
81.07073	9.9
83.04991	3.8
83.08620	21.7
87.08095	6.4
91.05460	7.7
93.07038	11.9
95.04981	1.5
95.08619	10.9
97.06563	3.6
105.07037	14.9
107.08619	9.8
109.10180	5.1
110.93363	1.6
111.08100	7.8
113.09711	1.8
119.08596	9.3
121.10148	12.7
123.08087	3.1
123.11690	2.1
129.09111	8.0
131.08592	4.4
133.10115	7.2
135.11700	6.6
139.11197	39.4
140.10706	5.3
141.11125	2.1
141.12741	1.8
145.10139	7.3
147.11729	12.8
148.30000	1.6
149.13269	3.9
159.11725	10.0
161.13278	58.0
161.14635	3.1
163.11201	2.1
173.13261	7.2
185.13158	1.9
187.14801	2.4
189.16438	1.7
227.18102	3.3
228.98901	1.6
229.05969	2.6
255.21130	26.5
273.22141	100.0
285.25928	3.6
395.33737	1.8
413.34277	4.4
431.35297	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	431.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05510	13.3
57.03444	5.1
63.89734	1.0
67.05510	5.7
69.07071	21.6
71.52367	1.0
79.05502	6.4
81.07067	9.1
83.04960	1.6
83.08624	19.5
85.06556	1.3
87.08127	7.1
91.05470	4.4
93.07034	7.8
95.04939	1.3
95.08598	10.1
97.06515	2.7
97.10168	1.7
105.07040	11.2
107.08606	8.5
109.10160	4.1
111.08097	6.0
113.09621	1.2
119.08599	6.8
121.10144	9.4
123.08062	1.8
123.11706	1.1
128.10701	1.9
129.09108	8.8
131.08566	3.0
133.10153	4.5
135.11685	4.7
137.13194	1.5
139.11185	33.1
140.10709	2.7
141.11005	1.9
141.12758	1.5
142.52618	1.2
145.10130	5.3
147.11691	11.6
149.13226	2.3
159.11723	9.1
161.13263	51.0
163.11218	1.6
163.14850	1.4
173.13287	3.4
187.14813	1.4
213.16444	1.3
214.33478	1.1
215.17920	1.3
219.37331	1.3
255.21103	21.2
273.22144	100.0
285.25720	3.4
395.33783	1.7
413.34305	5.0
431.29202	2.1
431.35205	36.6
457.87885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06852	0.6
51.71127	0.6
53.03942	1.8
55.01863	1.6
55.05521	6.7
56.05024	0.7
57.03429	1.1
57.07072	2.0
65.03928	0.9
67.05508	10.7
67.15025	0.6
67.72475	0.6
69.03427	2.5
69.07076	18.0
70.06594	2.6
70.07372	0.6
70.16669	2.7
71.04993	1.7
71.07362	0.9
72.08172	4.6
73.02896	0.8
73.23564	0.7
79.05499	12.2
81.03411	2.2
81.07061	8.9
83.04982	1.7
83.08617	2.4
84.08149	1.2
85.02907	1.9
85.06548	1.7
86.06076	32.1
89.20212	0.7
91.04920	1.0
91.05492	21.8
93.07053	35.8
94.06587	0.9
94.07393	0.7
95.04970	2.9
95.08620	17.5
96.08147	7.7
97.02887	1.6
97.06516	1.2
98.06069	1.7
98.09714	9.7
99.04444	2.2
105.01839	1.1
105.04507	0.8
105.07043	10.7
107.04916	0.8
107.08607	41.9
108.08114	2.8
108.09424	1.4
109.06512	2.2
109.10164	5.0
111.04444	0.7
114.09158	1.2
116.10745	69.3
117.06985	1.2
119.06058	1.3
119.08599	16.8
121.06522	1.3
121.10155	25.6
122.09666	1.5
123.08089	2.9
124.07605	2.5
125.05975	0.8
127.03923	1.4
127.80412	0.7
128.06219	0.7
129.07004	0.9
131.08578	1.7
133.10144	1.8
135.08049	1.4
137.06003	1.5
137.08585	0.6
137.09618	11.0
138.09113	0.8
142.08661	7.3
145.10129	1.3
147.08049	4.3
147.11694	1.6
149.13278	47.8
150.07867	1.0
155.10591	1.0
157.10158	1.3
159.11693	1.2
161.13303	1.6
162.13673	1.1
165.09149	2.8
180.33902	0.9
183.13866	1.1
185.09836	0.9
187.14752	0.8
209.11703	0.9
214.16895	0.9
227.12804	1.3
227.34848	0.7
238.18074	1.5
245.13824	0.8
254.21263	4.7
255.21321	0.8
256.19110	3.1
262.18076	0.8
273.22192	0.9
274.22513	2.6
280.19083	7.7
298.20154	6.8
316.21216	9.6
361.15161	0.8
414.21271	2.7
414.30679	0.9
432.22348	100.0
432.32025	3.0
433.22351	1.2
455.68478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02977	0.7
50.05934	0.6
55.01856	1.8
55.05514	13.6
56.98012	0.7
57.03438	6.9
57.07062	1.0
63.69019	0.7
67.05515	6.1
69.03429	1.2
69.07072	22.5
71.04972	1.2
79.05501	5.6
81.06667	0.8
81.07065	8.9
83.04965	2.3
83.08626	20.6
85.06493	0.9
87.08111	5.0
91.05474	4.5
93.06587	0.7
93.07053	9.5
95.04955	1.1
95.08074	0.9
95.08617	11.2
96.37215	0.7
97.06525	3.3
97.10152	1.2
105.07040	13.2
107.08600	7.1
109.10169	4.9
111.08108	5.6
113.09644	1.3
117.07008	1.6
119.08586	7.7
121.10161	10.2
123.11688	1.2
129.09123	10.0
131.08554	2.1
133.10143	5.5
135.11705	5.5
139.11197	32.6
141.12769	4.6
143.08589	0.8
145.10152	5.7
147.11710	13.2
149.13239	2.7
159.11702	9.0
161.13268	56.7
163.11163	2.5
163.14848	1.3
170.14180	0.8
173.13298	4.8
175.14743	1.0
185.13249	1.8
187.14844	1.5
199.14745	2.2
201.16499	1.0
213.16463	2.0
215.17973	1.4
227.17949	1.1
255.21095	24.1
273.22144	100.0
274.22375	1.6
285.25760	3.9
413.34631	3.7
431.29221	1.3
431.35257	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3161
Annotation	Convallamarogenin
Peak:m/z	Relative Intensity
53.03937	2.7
55.01861	3.8
55.05515	4.9
57.03426	3.4
57.07058	2.2
59.64536	1.0
65.03932	1.3
67.05186	1.1
67.05511	17.4
69.03412	4.3
69.07075	5.8
70.53391	1.1
70.70385	3.0
71.04982	3.0
78.04188	0.9
79.05511	7.9
81.03425	5.8
81.07063	17.8
83.04639	0.8
83.04992	8.4
83.08636	2.4
85.02905	2.6
85.06544	10.4
91.05486	10.8
93.07051	12.1
95.04978	13.7
95.08614	19.0
97.02877	1.3
97.06519	3.1
97.10208	1.7
99.04450	4.0
99.08080	1.6
99.84698	0.9
101.06050	1.2
105.07044	19.2
107.04943	1.8
107.08609	15.1
109.02891	27.6
109.06518	4.2
109.10160	17.1
111.08071	1.5
117.07026	3.9
119.07822	1.6
119.08595	20.5
119.61723	1.0
121.06501	4.1
121.10161	12.6
123.04445	36.9
123.08106	6.0
123.11714	5.6
125.06004	2.1
125.09666	5.1
129.07001	2.7
131.08551	7.1
133.10130	14.2
135.08035	2.7
135.11703	5.8
137.05971	2.0
137.09618	6.0
139.11176	3.4
141.06973	1.2
141.09109	8.0
143.08585	3.5
145.10129	10.9
147.08054	3.3
147.11690	11.3
149.09654	2.0
149.13226	3.3
151.11224	5.7
151.75261	1.1
155.08548	1.3
157.10150	4.7
159.11705	13.6
161.03827	1.0
161.09624	2.9
161.13280	10.5
163.11201	2.8
165.09126	75.2
167.10657	1.4
171.11696	3.8
173.09583	1.3
173.13293	7.7
175.11154	1.1
177.12767	1.3
179.10693	39.4
181.12250	2.4
183.10161	2.6
183.11687	2.1
185.13245	2.0
187.11375	1.0
187.14867	4.4
197.09528	1.6
197.13173	1.6
199.14807	2.4
201.16359	1.3
201.56064	0.9
209.13329	2.1
211.14917	1.7
213.16457	2.5
215.17966	51.2
229.19630	2.0
233.19040	8.3
239.18001	2.3
253.19562	7.8
254.19975	0.9
257.18945	1.7
269.18927	1.4
271.20633	7.4
273.22198	6.1
280.43774	0.9
283.20514	0.9
289.21646	19.9
294.00754	1.0
299.23743	2.7
317.24780	7.1
339.19641	2.0
353.24655	1.3
357.20578	1.8
357.27811	1.9
385.31030	1.9
395.29538	9.5
413.30527	100.0
414.30667	2.2
431.13452	1.2
431.24442	7.9
431.31567	50.3
432.32037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.316
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03942	3.2
55.01871	3.5
55.05516	16.9
56.05821	1.1
57.03432	3.8
57.07084	8.4
59.04993	1.4
65.03930	2.7
67.05506	54.8
69.03425	9.3
69.07070	33.4
69.47217	4.4
69.47647	4.1
70.06587	3.3
71.04993	5.9
72.08146	1.9
77.03913	1.6
79.05496	31.0
81.03415	5.2
81.07060	98.3
83.04990	7.5
83.08628	12.6
84.08144	2.4
84.18472	1.1
85.02896	5.0
85.06547	42.8
86.06078	1.5
86.09724	9.2
91.04903	1.9
91.05480	37.6
93.06486	2.5
93.07049	39.3
95.04972	9.7
95.08615	45.6
97.02892	4.9
97.06557	9.0
97.10152	6.0
99.04453	2.8
99.08099	10.8
103.05495	2.8
105.07036	52.2
107.04950	5.3
107.07877	2.6
107.08598	41.6
107.09315	2.6
109.02895	13.2
109.06527	4.7
109.10161	64.0
111.08100	3.3
111.11707	2.2
113.09645	3.3
115.05468	2.9
115.07561	1.5
116.10729	2.5
117.07023	18.3
119.08587	42.0
121.06493	7.3
121.10149	23.3
121.11027	1.2
123.04433	15.7
123.08076	9.9
123.11712	18.5
125.06006	3.3
125.09647	13.1
125.13212	1.3
127.03949	3.6
127.11182	7.2
128.06235	4.1
129.07004	16.4
130.07814	1.8
131.08571	39.6
132.10222	2.0
133.06503	2.6
133.10138	58.9
135.08067	4.5
135.11690	18.4
137.06024	2.5
137.09598	9.6
137.13254	6.2
139.07565	3.4
139.11188	6.1
141.06987	6.6
141.09126	4.5
142.07756	5.3
143.08578	26.8
144.09300	3.0
145.06464	2.0
145.10133	40.7
147.08052	5.8
147.11694	26.9
149.09644	5.8
149.13277	7.3
151.11197	12.7
153.07022	2.3
153.09117	2.3
153.12679	1.3
155.08540	20.6
156.09363	3.4
157.10138	40.8
158.10881	1.6
159.08072	4.2
159.11694	42.4
161.09627	5.4
161.13263	11.1
163.07605	2.1
163.11186	5.2
163.14816	2.3
165.07031	1.6
165.09125	34.0
165.12814	3.9
167.08582	3.6
167.10651	2.3
168.09354	3.2
169.10126	18.6
171.11703	20.5
173.09593	3.4
173.11816	2.9
173.13252	21.4
175.11177	6.4
175.14777	5.6
177.09096	2.7
177.12759	1.8
177.16440	2.5
179.08684	2.3
179.10649	18.3
179.14326	1.3
181.10130	9.0
182.10989	3.1
183.10106	2.4
183.11693	27.9
184.12431	1.5
185.09718	1.5
185.13264	27.5
187.07538	1.2
187.11130	3.2
187.14845	9.9
189.09091	2.0
189.12735	3.5
189.16345	3.0
191.10725	3.0
191.14296	2.8
193.10188	2.4
193.12198	3.4
193.15790	1.6
194.10904	1.8
195.11743	11.5
196.12514	3.3
197.13263	21.9
199.11295	2.3
199.14824	15.7
201.09337	1.4
201.12740	3.5
201.16402	4.7
203.10715	1.2
203.14134	4.3
203.18036	1.7
205.12233	2.5
207.11775	4.3
208.12384	1.6
209.13275	16.5
211.11336	2.5
211.14839	26.3
211.16747	2.5
213.12892	3.0
213.16394	11.4
215.14552	2.6
215.17960	26.3
217.12334	1.8
217.15825	1.7
221.13379	2.9
221.15376	1.8
223.14790	9.9
225.12917	1.7
225.16402	15.5
227.14307	2.7
227.17955	6.4
229.12346	1.8
229.15939	2.8
229.19449	1.6
231.13808	2.9
231.17549	1.8
233.19064	4.8
235.14905	6.6
237.12831	1.6
237.16447	5.5
239.14311	1.6
239.17857	6.1
241.15935	3.0
241.19504	2.0
243.13843	2.6
243.17641	2.6
245.15356	3.2
249.16380	2.5
251.14372	2.4
251.17982	4.4
253.15907	5.6
253.19499	6.1
255.17342	1.9
255.21075	1.9
257.15359	4.1
257.19183	2.5
259.17044	4.5
259.20544	1.9
261.18683	1.9
263.17871	1.4
265.19507	3.3
267.17633	2.1
267.21194	4.0
269.15359	3.9
269.19067	3.3
269.26761	2.6
271.16980	15.3
271.20538	4.6
273.18643	2.7
273.22104	1.7
279.21118	5.1
281.19177	1.8
283.20389	1.5
285.18558	4.7
285.22003	2.3
287.20105	2.2
289.17813	5.8
293.22540	2.3
295.20712	1.5
295.24152	1.6
297.22150	4.0
299.20145	2.4
299.23584	1.5
309.21915	2.2
311.23651	1.5
313.21674	2.3
316.21085	2.5
317.21585	4.5
317.24908	2.7
319.24243	1.8
321.21985	6.2
327.23114	3.7
335.23755	2.1
335.27335	10.6
339.19495	2.8
339.23251	5.3
345.24380	2.5
349.28796	3.3
349.97876	1.3
351.26926	4.5
353.24771	2.0
353.28430	13.9
357.20749	2.3
357.24390	2.8
359.27167	6.0
367.30072	3.5
369.27939	2.8
371.29590	3.6
373.16464	2.3
377.28400	26.2
383.29550	1.7
385.30914	3.0
395.29453	61.5
396.29959	1.7
413.30542	100.0
414.31177	3.5
431.24249	4.4
431.31622	84.8
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	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01878	3.6
55.05297	0.6
55.05510	5.8
57.03417	2.1
59.04987	0.8
65.03934	1.5
67.05190	0.8
67.05510	10.9
69.03429	3.8
69.07072	8.4
69.53172	4.1
70.06576	1.1
71.04964	1.9
71.08628	0.8
73.02910	1.0
79.05497	13.1
81.03429	5.5
81.07059	18.0
83.04985	3.5
83.08620	3.1
85.02907	3.8
85.06539	1.9
86.06050	2.3
86.09698	0.8
87.00815	2.0
87.06400	1.1
89.02386	1.1
90.71207	0.6
91.05481	13.8
93.07045	15.0
94.07387	0.8
95.04967	6.5
95.08614	16.1
97.02882	2.2
97.06536	4.1
97.10177	1.7
99.04439	1.5
99.08121	0.9
101.02370	1.3
101.06020	0.9
103.05468	0.9
104.29273	0.7
105.01880	2.1
105.06316	1.1
105.07034	22.7
107.04945	2.9
107.08596	15.6
109.02842	1.5
109.06527	3.4
109.10162	9.8
111.04459	1.1
111.08079	2.7
113.05989	1.0
116.10696	0.8
117.07023	5.0
119.04916	1.1
119.08601	17.6
121.06541	4.9
121.10151	10.5
123.04431	2.1
123.08067	5.1
123.11671	3.1
125.06003	1.7
125.09618	5.4
127.03889	2.5
128.06255	1.1
129.05498	1.3
129.07018	2.1
130.07791	0.7
131.04959	1.0
131.08548	8.5
133.06491	1.9
133.10139	11.6
135.04378	0.6
135.08025	2.5
135.11682	6.8
137.05977	1.5
137.09621	2.7
137.13240	1.0
139.07478	0.9
139.11182	1.0
139.78934	0.6
139.80643	0.6
141.06989	0.9
141.09084	1.4
142.07726	1.0
143.08557	3.6
145.05028	0.7
145.06490	2.1
145.10127	10.4
147.04399	1.0
147.08040	2.2
147.11696	16.8
149.09628	1.9
149.13272	3.7
151.07573	1.2
151.11169	3.6
153.09094	0.8
155.08623	1.1
157.06412	0.7
157.10127	4.9
159.08028	0.7
159.11699	13.5
161.09624	2.3
161.13263	73.6
162.13637	0.9
163.11179	4.9
165.09134	2.4
165.12755	2.9
169.10120	2.1
169.12224	0.8
171.08084	1.2
171.11757	3.1
173.09686	0.9
173.13289	6.4
175.07552	0.7
175.11194	1.4
175.14783	2.4
177.12782	0.8
179.10710	2.8
181.10194	1.5
181.12093	0.9
183.08046	0.8
183.10149	0.9
183.11694	1.7
185.09619	1.2
185.13225	2.9
187.11206	1.9
187.14793	3.2
193.12267	1.5
194.29222	0.6
195.11731	1.5
197.11740	2.1
197.13351	0.9
198.11258	5.0
199.11499	5.4
199.14851	3.8
201.16368	0.9
203.10527	0.6
207.13701	0.9
209.13249	0.9
211.11317	0.9
211.14830	0.8
213.12788	0.8
213.16411	4.5
215.14409	0.7
215.18004	1.9
223.11267	1.3
225.12740	0.9
227.10660	1.4
227.17950	1.8
229.15871	0.9
229.19540	1.1
255.21082	28.4
269.19052	0.8
273.22134	100.0
274.22424	1.5
275.13837	1.3
287.20178	0.6
289.07758	0.9
297.18848	0.7
311.19846	1.2
314.12360	0.7
315.05560	0.6
321.18463	1.2
329.21103	1.9
332.13412	3.6
333.06424	1.9
333.13647	9.5
333.17239	0.8
339.19464	7.2
351.07504	0.8
357.20587	6.7
395.29431	5.6
413.22998	2.0
413.30432	8.4
431.07648	0.9
431.24344	18.7
431.31546	55.0
432.31656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2428
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.02374	0.7
53.03936	2.3
55.01874	5.7
55.05513	12.8
57.03439	3.2
57.03669	0.6
59.31889	0.5
65.03937	1.6
66.41543	0.6
67.05502	17.2
68.32814	0.5
69.03444	3.1
69.06731	0.9
69.07069	11.8
69.76468	0.6
71.05029	2.7
71.05330	0.5
77.03896	0.8
79.05494	25.4
81.03419	20.5
81.06593	1.0
81.07056	15.5
83.04993	3.7
83.08624	7.7
85.02873	1.0
85.06544	1.0
91.05482	22.4
93.07050	11.1
95.01331	1.3
95.04970	11.8
95.08606	7.9
97.02889	1.2
97.06548	5.8
97.10172	8.2
98.21473	1.1
98.78279	0.6
101.09678	0.7
103.05473	1.3
105.03390	0.7
105.04507	1.1
105.07028	10.9
107.04953	10.2
107.08592	9.4
109.02862	1.8
109.06509	3.3
109.10163	6.1
111.04422	0.7
111.08070	2.0
113.06003	0.8
114.97264	0.5
115.05458	2.4
115.07548	0.7
117.07018	9.4
119.04961	0.9
119.08583	20.1
121.06510	8.6
121.10160	5.4
123.04431	2.2
123.08064	2.4
123.11729	0.6
125.02409	0.9
125.06019	3.0
125.09641	6.8
128.06215	1.8
129.07005	8.3
131.04938	5.5
131.08560	7.6
133.06506	4.2
133.10132	3.9
135.04448	0.8
135.08043	4.0
135.11659	2.1
137.05972	1.3
137.09627	7.1
139.11104	0.7
141.06995	4.5
142.07767	1.9
143.07047	3.3
143.08549	6.0
144.05746	1.1
145.06493	12.5
145.10126	4.9
147.04399	4.0
147.08052	7.4
147.11703	3.9
149.06012	0.6
149.09618	2.4
149.13269	0.7
151.07530	1.0
153.06966	1.3
153.09073	1.6
155.08539	2.8
157.06520	4.1
157.10123	5.6
159.08052	3.5
159.11699	3.4
161.05983	2.3
161.09602	5.9
161.13286	1.9
163.07559	1.1
163.11195	1.4
165.06982	1.3
165.09114	6.0
165.12764	1.1
167.08479	3.1
169.06505	0.8
169.10121	4.8
171.08028	4.3
171.10280	0.8
171.11610	3.0
172.08733	0.6
173.09650	1.5
173.13347	1.0
175.07568	1.0
175.11125	3.3
177.09155	1.3
177.12709	0.9
179.08557	0.8
181.06444	0.8
181.10118	2.5
183.08115	2.9
183.11722	2.2
185.09650	6.2
185.13248	2.0
187.07591	1.4
187.11165	5.6
189.09190	3.5
189.11195	2.5
189.12804	1.4
193.12230	8.7
195.08049	1.8
195.11703	1.9
197.09613	4.0
197.13318	0.9
199.11220	5.4
201.12750	0.9
203.10762	1.7
205.12231	1.1
207.11795	0.6
209.09616	2.3
209.13264	1.1
211.11279	3.4
211.12941	0.7
213.09105	1.8
213.12759	2.3
215.10667	1.9
215.14357	0.9
221.11775	1.6
223.11203	1.6
223.14899	0.6
223.68068	0.6
225.12782	1.9
227.10660	9.8
227.14169	1.0
231.10240	1.7
231.13747	1.4
237.12700	2.6
241.12276	1.3
243.13832	1.3
245.11655	2.7
245.15482	0.6
251.14217	0.6
253.12196	0.8
255.13867	2.2
259.13293	2.7
261.14932	1.3
265.12183	0.7
267.15799	0.6
271.20514	1.1
273.14905	7.3
273.22095	0.7
283.20535	0.6
293.19034	2.4
297.18369	1.2
303.17270	2.6
305.17331	0.7
311.19965	6.7
315.19580	1.1
321.18527	11.6
329.21106	10.2
329.24884	0.4
333.06375	0.7
333.17044	1.8
339.19559	37.0
357.20621	24.6
375.21771	2.9
377.21173	1.5
385.23801	1.0
395.29379	0.8
403.24716	2.2
413.23254	9.0
413.29050	0.7
413.30252	0.5
414.32343	0.7
431.24304	100.0
432.24545	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	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01879	4.3
55.05511	6.7
57.03441	7.1
67.05511	9.9
69.03434	29.1
69.07065	7.8
70.06594	24.8
71.05014	3.8
71.52222	3.6
72.08151	24.2
73.02893	3.6
75.04498	3.2
79.05509	19.6
81.03423	11.9
81.07063	23.2
83.04994	4.5
83.08615	3.7
84.04506	7.2
84.08134	6.9
85.02908	41.0
85.06542	4.6
86.09711	71.4
91.05479	16.7
93.07061	26.7
95.04979	12.2
95.08622	16.0
97.02912	14.0
97.06536	7.0
99.04461	3.3
102.05554	7.2
105.07039	30.4
107.04929	3.6
107.08601	30.1
109.02891	3.5
109.06511	16.7
109.10168	6.8
111.08092	22.6
113.05984	3.2
116.07125	3.0
117.07031	7.0
119.08601	24.3
120.08086	2.9
121.06526	10.3
121.10189	17.7
123.04488	3.0
123.08079	12.2
125.05991	2.9
125.09600	3.6
127.03922	8.5
127.08660	4.1
129.10228	3.1
130.08644	2.7
131.08583	19.4
133.10153	15.7
135.08066	24.1
135.11703	9.8
137.09628	36.0
139.11221	3.2
141.06621	3.7
143.08496	3.8
145.04962	4.3
145.06435	3.6
145.10143	29.4
146.07274	3.0
147.08109	6.7
147.11710	17.1
149.09633	60.9
149.13272	6.4
151.11270	4.0
153.09117	7.6
155.08624	3.9
157.10118	8.0
159.07919	6.2
159.11667	21.6
161.09622	4.6
161.13303	5.5
163.07570	12.3
163.11211	7.8
165.09161	4.7
165.12825	3.1
167.10677	22.0
169.10080	4.5
171.11588	3.8
173.09604	9.6
173.13269	14.3
175.11206	40.4
176.11679	2.6
177.09161	3.4
177.12785	32.0
187.07149	5.5
187.11269	3.8
187.14818	15.4
189.12848	3.3
193.12251	9.1
195.50014	2.6
197.13240	9.8
200.82703	2.4
203.14412	3.1
205.15904	10.5
211.13301	3.1
215.14310	29.9
229.15527	12.3
233.15387	100.0
245.18600	3.9
251.16447	86.7
261.14359	3.4
269.17511	80.8
300.15591	3.5
332.63812	2.7
387.53690	3.3
421.70319	3.3
426.73846	3.0
431.18536	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	431.228
Annotation	Celerioside A
Peak:m/z	Relative Intensity
53.03944	3.1
55.01879	4.3
55.05511	6.7
57.03441	7.1
67.05511	9.9
69.03434	29.1
69.07065	7.8
70.06594	24.8
71.05014	3.8
71.52222	3.6
72.08151	24.2
73.02893	3.6
75.04498	3.2
79.05509	19.6
81.03423	11.9
81.07063	23.2
83.04994	4.5
83.08615	3.7
84.04506	7.2
84.08134	6.9
85.02908	41.0
85.06542	4.6
86.09711	71.4
91.05479	16.7
93.07061	26.7
95.04979	12.2
95.08622	16.0
97.02912	14.0
97.06536	7.0
99.04461	3.3
102.05554	7.2
105.07039	30.4
107.04929	3.6
107.08601	30.1
109.02891	3.5
109.06511	16.7
109.10168	6.8
111.08092	22.6
113.05984	3.2
116.07125	3.0
117.07031	7.0
119.08601	24.3
120.08086	2.9
121.06526	10.3
121.10189	17.7
123.04488	3.0
123.08079	12.2
125.05991	2.9
125.09600	3.6
127.03922	8.5
127.08660	4.1
129.10228	3.1
130.08644	2.7
131.08583	19.4
133.10153	15.7
135.08066	24.1
135.11703	9.8
137.09628	36.0
139.11221	3.2
141.06621	3.7
143.08496	3.8
145.04962	4.3
145.06435	3.6
145.10143	29.4
146.07274	3.0
147.08109	6.7
147.11710	17.1
149.09633	60.9
149.13272	6.4
151.11270	4.0
153.09117	7.6
155.08624	3.9
157.10118	8.0
159.07919	6.2
159.11667	21.6
161.09622	4.6
161.13303	5.5
163.07570	12.3
163.11211	7.8
165.09161	4.7
165.12825	3.1
167.10677	22.0
169.10080	4.5
171.11588	3.8
173.09604	9.6
173.13269	14.3
175.11206	40.4
176.11679	2.6
177.09161	3.4
177.12785	32.0
187.07149	5.5
187.11269	3.8
187.14818	15.4
189.12848	3.3
193.12251	9.1
195.50014	2.6
197.13240	9.8
200.82703	2.4
203.14412	3.1
205.15904	10.5
211.13301	3.1
215.14310	29.9
229.15527	12.3
233.15387	100.0
245.18600	3.9
251.16447	86.7
261.14359	3.4
269.17511	80.8
300.15591	3.5
332.63812	2.7
387.53690	3.3
421.70319	3.3
426.73846	3.0
431.18536	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	430.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01863	2.4
56.05025	0.7
57.03437	4.9
59.04986	0.8
61.02643	1.0
61.02929	9.8
63.74926	0.6
67.05504	1.4
69.03432	15.9
69.07045	1.5
70.06591	5.0
71.04990	2.5
71.52350	1.0
72.08157	4.7
73.02931	4.1
73.14450	0.6
76.02235	0.6
81.03429	7.2
81.07042	0.7
84.04491	2.6
84.08138	5.6
85.02908	100.0
86.09709	23.6
87.00823	0.7
87.04473	2.1
87.05592	0.7
91.03965	6.7
91.05485	1.0
93.07032	0.7
95.04969	1.5
95.06122	0.8
97.02897	22.7
97.03535	1.1
97.06555	0.6
99.04463	4.4
101.02394	0.6
101.07124	0.7
102.05527	1.4
103.03963	0.8
105.01896	1.0
105.06973	0.7
107.08613	0.7
109.02888	9.5
110.07216	0.7
115.03967	1.0
116.07114	1.4
119.08561	0.7
120.08130	0.7
127.03923	29.7
129.06570	0.5
129.10236	2.3
130.04997	2.6
133.06148	1.4
143.08519	0.6
143.11833	1.7
145.04965	62.8
147.04398	1.0
147.07654	4.7
147.11729	0.7
157.13405	1.7
161.09201	0.6
163.06024	27.2
171.11336	1.2
173.13217	0.7
185.12903	1.6
223.06131	0.8
231.05023	0.6
236.13628	0.9
243.13683	0.6
246.14571	1.9
251.14752	3.3
260.16159	2.2
284.19757	0.8
307.15964	0.6
310.17426	0.8
325.11407	1.3
376.18451	0.6
406.63687	0.6
430.16321	2.9
430.21213	0.8
430.30389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05507	3.6
56.05034	0.5
57.03431	0.9
57.07088	0.6
62.06099	1.7
67.05508	4.0
69.03424	0.9
69.07071	17.4
69.67820	0.8
69.68231	2.0
70.06583	2.1
71.01373	0.8
71.05003	0.8
71.08632	0.9
72.08149	2.9
73.02918	1.1
73.06567	2.2
75.64139	0.4
79.05486	4.8
81.03420	0.8
81.07056	4.6
84.04484	0.7
84.08143	1.2
85.02928	0.8
85.06548	0.9
86.00665	0.4
86.06072	29.4
86.09689	1.3
87.04459	0.4
89.02375	1.1
91.05479	5.7
93.07049	4.1
95.04954	1.0
95.08612	5.4
95.48026	0.4
96.08131	6.5
97.02899	0.6
97.06530	4.2
98.06046	2.0
98.09693	6.6
99.04443	1.3
99.08096	0.7
101.02399	3.4
105.04476	0.5
105.07028	1.7
107.08582	1.6
108.08119	3.3
109.06494	3.0
109.10130	2.7
110.09695	1.1
111.08057	1.7
113.06002	0.5
114.09167	1.2
115.07566	1.5
116.10737	58.5
117.07039	0.4
119.08585	4.9
120.08108	0.5
121.06492	0.5
121.08869	0.9
121.10117	0.8
122.02737	0.4
122.09671	1.7
123.08057	0.8
124.07604	1.2
126.09146	1.0
133.10118	1.1
134.09657	1.3
137.05972	1.3
137.09613	3.2
138.09146	0.9
140.10696	0.8
142.08644	5.8
143.10669	1.9
145.10016	0.6
147.08083	1.1
151.11162	1.0
152.10715	1.4
155.08438	0.6
158.11743	1.0
159.10207	3.0
159.11324	0.5
165.09154	1.2
170.11752	0.9
170.15396	1.1
180.10141	0.7
182.15433	0.7
194.15376	1.4
198.11266	12.2
212.16467	17.4
216.12296	0.5
226.14088	0.5
230.17517	100.0
231.17848	0.5
234.17894	0.4
244.15465	1.7
245.13818	1.3
250.25305	0.8
268.26404	1.1
288.17960	1.1
296.18542	1.6
310.53003	0.4
310.56549	0.5
314.12323	1.2
316.21188	5.8
332.13406	14.1
356.15640	0.6
412.19052	0.7
412.26730	2.8
430.20715	2.1
430.27908	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	430.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05509	2.2
56.05017	0.4
60.60935	0.3
62.06089	0.9
67.05511	3.5
69.03420	0.7
69.07072	18.4
69.58675	2.0
70.02911	0.3
70.06577	1.9
71.04990	1.4
71.07373	0.9
72.08154	2.9
73.02906	0.4
73.06560	2.8
79.05499	5.2
81.03400	0.5
81.05835	0.4
81.07059	3.7
83.04982	0.7
84.04520	0.5
84.08146	0.9
85.02914	0.4
85.06544	0.6
86.06071	24.2
86.09704	0.9
91.05485	4.2
93.07037	3.1
95.04989	0.8
95.08614	4.8
96.08137	5.3
97.02883	0.5
97.06537	3.9
98.06039	1.8
98.09692	6.6
98.10275	0.6
99.04478	1.7
105.07032	1.5
107.04971	0.5
107.08586	1.1
108.08125	3.1
109.06508	1.3
109.08886	0.5
109.10176	1.9
110.09692	1.2
112.07612	0.8
113.05935	0.3
114.09180	1.1
115.07577	1.5
116.10735	61.1
117.07005	0.5
117.11111	0.3
119.08580	5.1
121.08885	0.5
121.10154	0.5
122.09672	1.7
123.08068	0.5
124.07563	2.1
126.09192	0.8
131.08534	0.4
133.10139	0.6
134.09657	1.1
135.10536	0.3
136.11179	0.4
137.09604	3.3
138.09195	0.6
141.09108	0.6
142.08636	5.3
145.10158	0.6
147.08047	1.1
147.11649	0.4
149.09653	0.6
151.11214	1.0
152.10735	0.8
159.10159	3.4
165.09114	1.0
170.15437	0.9
180.13864	0.4
182.15422	0.8
184.16953	0.4
185.09798	0.3
194.15390	2.1
201.11267	0.5
212.16478	18.0
230.17517	100.0
231.17862	0.8
233.15468	0.4
244.15529	1.9
245.13783	1.7
247.77234	0.4
254.21234	0.4
259.09644	0.4
316.21170	4.6
412.26785	3.6
430.27930	28.7
431.28238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.43958	0.4
54.93534	0.5
55.01882	3.4
55.05490	1.8
56.59375	0.5
57.03439	0.6
60.04520	0.7
60.54369	0.5
62.06091	3.4
67.05505	2.5
68.05033	0.5
69.03429	1.0
69.06725	0.8
69.07069	8.7
69.94810	0.4
70.02948	1.2
70.06586	1.1
70.82389	0.7
70.82732	1.2
71.01365	3.6
71.04988	0.5
71.08638	6.7
72.08137	2.3
73.02935	4.5
73.06520	0.6
79.05492	4.3
81.03371	0.8
81.07062	8.1
83.08601	0.6
84.04509	0.6
84.08146	1.3
85.02897	1.2
86.06073	34.9
86.09705	0.8
87.04472	0.7
88.03976	0.8
89.01922	0.5
89.02404	7.7
89.96869	0.4
91.05474	4.2
93.07042	3.6
94.06548	0.6
95.04948	1.0
95.08625	3.0
96.08142	3.5
97.02645	0.5
97.06533	2.4
98.06036	1.8
98.09700	6.7
99.00790	0.6
99.04423	1.6
99.08073	2.0
100.07598	1.0
101.02385	15.1
105.07021	1.2
107.04939	0.5
107.08579	1.4
108.08115	3.3
109.06528	11.8
109.10154	1.2
110.09671	0.7
111.08074	7.7
114.09148	1.0
115.07516	0.6
116.10740	37.6
117.06960	0.8
119.08577	2.0
120.08115	0.6
121.08866	1.1
121.10165	0.9
122.09624	1.4
124.07571	1.1
124.11177	1.1
127.03896	0.8
134.09645	3.2
135.10471	0.9
137.05995	5.3
137.09598	1.1
138.09076	1.2
142.08633	3.8
142.12289	4.2
143.10686	11.6
145.10036	0.6
151.09976	0.5
151.11215	0.6
152.10687	3.4
158.11784	0.6
159.10208	1.1
159.11681	0.9
164.79079	0.5
170.11768	7.9
170.15369	0.6
180.10216	4.2
182.15398	0.7
183.58040	0.5
185.11800	0.5
194.15506	0.9
198.11263	72.3
199.11612	0.5
212.16484	7.6
214.17999	1.7
216.12337	4.3
217.03572	0.7
230.17523	37.7
253.40671	0.5
259.58374	0.5
268.26340	0.9
288.18274	0.5
296.18610	9.8
314.12332	6.8
316.21140	3.4
332.13416	100.0
333.13776	1.0
352.28482	0.6
412.19714	4.4
412.26859	0.9
413.19962	0.6
430.20755	11.1
430.28064	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	430.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01873	2.6
55.05510	1.3
56.05031	1.1
57.03441	6.0
61.02933	7.8
67.05515	1.4
69.03437	16.5
69.07071	3.0
69.58392	4.8
70.06596	5.5
71.04992	2.2
72.08166	6.3
73.02918	3.2
74.06120	0.7
79.05498	0.8
79.50780	0.7
81.03423	7.7
81.07072	1.1
82.03732	0.7
83.01334	0.8
84.04507	3.8
84.08151	10.9
85.02911	100.0
86.09713	27.8
87.00856	1.6
87.04481	2.5
87.10086	0.7
91.03971	6.7
93.07046	1.0
94.41159	0.7
95.04984	2.5
96.05262	0.7
97.02900	23.0
97.03531	1.3
97.06564	0.9
99.04462	4.9
101.02397	0.8
102.05531	1.7
103.03937	0.9
105.01860	1.4
109.02888	10.3
115.03969	1.6
116.07086	1.8
117.06960	0.9
123.04456	1.0
127.03926	24.0
127.04827	1.5
129.10229	4.8
130.05045	4.1
133.06090	1.5
143.10757	0.9
143.11856	2.9
145.04967	58.9
147.07654	7.9
148.94472	0.7
157.13368	1.9
159.09198	0.9
163.06033	25.1
171.11295	1.6
185.12875	2.0
246.14511	1.7
251.14807	3.4
260.16156	3.2
269.94595	0.7
298.21268	0.9
316.50894	0.9
325.11530	1.1
374.40506	1.0
376.18750	0.8
392.73434	0.8
394.19458	1.0
430.16254	2.4
430.21478	1.3
430.31015	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.11171	0.5
55.05500	2.4
57.07081	18.5
65.56187	0.5
67.05506	4.7
69.07074	3.4
70.67360	1.1
71.08635	11.9
79.05486	1.4
81.07056	7.3
83.04954	0.7
83.08595	2.4
85.10179	5.6
86.76657	0.6
91.05486	2.3
93.07038	2.7
95.08619	5.5
97.10171	1.9
105.07017	2.4
106.18058	0.6
107.08607	3.5
109.10169	5.2
111.04465	0.8
111.11730	0.8
119.08598	3.5
121.06493	1.1
121.10154	3.5
122.07220	0.9
123.08096	1.4
123.11745	1.3
131.08562	2.6
133.10143	1.3
135.08064	5.0
135.11678	2.4
137.09625	8.5
139.07539	2.7
145.10123	2.5
146.33669	0.6
147.08064	0.7
149.09627	13.0
149.13206	0.8
151.07532	1.4
151.14859	1.2
159.11688	2.3
161.09627	1.1
162.06819	0.7
163.07535	0.9
163.11197	20.0
165.09125	100.0
166.09439	0.6
173.09621	1.9
173.13248	2.1
175.07552	1.0
175.11182	5.8
176.08345	1.4
177.09114	11.1
177.12779	2.3
179.10698	2.3
187.11198	2.6
187.14726	1.1
189.12733	2.1
190.09926	1.0
191.10689	10.9
201.12759	3.6
203.10703	1.6
203.14374	1.4
204.11487	0.8
205.12250	11.6
215.14375	1.6
219.13831	5.6
229.15947	1.0
233.15399	2.7
247.16986	1.5
261.18576	1.1
275.20090	1.6
289.21606	2.4
303.23099	1.9
317.24786	1.1
331.26398	0.8
345.27454	0.9
373.30966	1.4
401.34033	2.8
411.36288	2.2
429.37305	61.3
430.37888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.2
54.36643	1.4
54.56523	1.4
55.01873	12.0
56.05010	1.5
57.03427	6.6
61.02920	6.0
67.05505	2.0
68.99799	2.9
69.03100	2.6
69.03437	36.9
69.81027	7.6
70.06599	6.8
71.05003	7.0
72.02278	1.4
72.08147	5.2
73.02924	12.3
79.05487	4.9
81.03423	34.2
81.07041	4.0
83.08614	1.7
84.08138	5.4
85.02911	100.0
86.09715	20.8
87.00835	44.2
87.10063	1.4
91.03946	3.5
91.05483	4.2
93.07040	1.6
95.04972	1.7
95.08596	1.9
97.02898	68.8
97.06519	2.9
99.04449	21.1
103.05467	5.6
105.01875	53.4
105.07037	3.6
107.04961	4.2
107.08572	1.5
109.02883	32.3
116.07089	2.5
117.01855	5.2
117.06981	1.6
119.04954	2.4
120.47650	1.4
121.10140	3.0
127.03927	89.7
129.01837	4.0
129.10239	2.3
145.04967	57.2
145.10112	2.4
147.02840	2.4
147.04404	2.1
159.02911	20.9
163.03928	2.7
166.08638	4.8
213.03926	2.9
231.05026	17.4
235.95612	1.4
249.05946	4.2
314.13855	5.4
324.89487	1.3
343.35358	1.6
386.58643	1.6
430.14993	11.6
430.21375	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31353	1.2
53.03951	9.6
55.01871	9.9
55.05494	1.6
57.03429	6.4
60.04516	1.7
61.02931	6.3
61.64448	1.2
68.70238	1.3
68.99790	2.7
69.03433	32.3
69.94338	3.9
71.04994	6.1
73.02921	11.5
81.03423	38.2
85.02911	100.0
87.00835	36.7
87.04462	1.2
91.03971	3.0
94.04621	1.2
97.02900	41.9
99.04461	20.1
105.01878	36.1
108.04485	12.1
109.02890	38.4
117.01871	5.2
123.02946	1.3
126.05549	5.8
127.03929	87.0
129.01860	6.3
137.05978	2.0
145.04962	50.4
147.02890	5.3
159.02905	34.4
165.09090	1.6
177.03969	3.3
189.03937	2.6
189.09109	4.9
207.10161	1.3
209.53409	1.3
212.05511	1.4
213.03883	3.7
230.06699	3.4
231.05014	21.9
231.10114	2.3
248.07576	6.2
249.06177	2.3
255.10216	1.6
273.11246	2.0
430.16287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35696	0.6
50.48584	0.5
55.01878	2.8
55.05501	1.5
56.05042	0.6
60.04519	0.6
62.06102	3.0
62.17819	0.6
66.32505	0.6
67.05492	1.7
67.09658	0.6
69.03386	0.9
69.07054	0.9
70.02933	0.8
70.06596	0.7
71.01349	3.7
71.08653	5.6
72.08161	1.0
73.02922	4.5
79.05489	1.6
81.03383	0.9
81.07068	6.7
83.04964	1.0
83.08609	0.7
84.33499	0.6
85.02910	0.9
86.06074	27.3
86.09721	0.6
89.02394	6.5
91.05447	1.9
93.07047	2.8
95.04938	0.8
95.08600	1.8
96.08121	2.5
97.06518	0.8
98.06035	0.8
98.09711	4.2
99.04433	1.4
99.08069	2.1
101.01744	0.7
101.02384	13.2
105.06985	1.4
107.08585	1.7
108.08119	2.9
109.06522	8.7
109.10186	0.5
110.01359	0.6
110.09654	0.5
111.08085	7.0
116.10737	15.5
117.07002	0.8
119.08559	1.0
121.06488	0.7
121.08908	0.8
121.10117	0.6
122.09667	0.8
124.07508	0.5
124.11246	1.0
127.07574	0.5
131.08583	0.5
133.10120	0.5
134.09666	3.9
136.07510	0.6
137.05989	4.7
138.09145	1.8
142.08621	1.8
142.12314	1.2
143.08571	0.6
143.10667	13.1
145.10124	1.2
152.10683	4.3
164.11482	0.6
170.11783	8.0
180.10188	5.0
180.93942	0.6
198.11263	74.5
214.18097	1.8
216.12300	4.0
217.03519	1.0
296.18561	11.5
305.70953	0.6
314.12335	8.7
332.13409	100.0
333.13794	0.7
341.25333	0.6
412.19882	2.2
412.29349	0.8
430.20737	13.5
430.29623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3001
Annotation	Chabrolohydroxybenzoquinone F
Peak:m/z	Relative Intensity
53.03927	3.4
55.01860	3.7
55.05511	7.8
57.03425	2.7
57.07074	2.1
64.19140	0.9
64.63719	1.1
67.05503	17.2
69.03420	6.2
69.07069	7.5
69.71401	0.9
71.04973	2.9
71.52058	0.9
71.52518	1.4
79.05492	9.7
81.03422	6.1
81.06608	1.6
81.07063	25.5
83.04989	8.8
83.08607	3.9
84.08147	1.2
85.02917	5.0
85.06535	12.3
86.06049	1.9
91.05470	11.1
93.07036	16.9
95.04964	14.3
95.08607	19.4
97.02888	4.0
97.06546	6.7
97.10181	1.8
99.04441	4.1
99.08085	2.0
101.06050	1.4
105.07030	14.1
107.04967	1.2
107.08594	11.5
109.02879	28.9
109.06509	3.7
109.10156	14.2
111.04454	1.3
111.08075	2.3
111.61937	0.9
115.05463	1.3
115.07575	1.3
117.07007	3.6
119.03136	1.2
119.08585	14.7
121.06509	4.7
121.10152	9.9
123.04427	30.2
123.08045	6.7
123.11725	5.7
125.06004	1.8
125.09648	7.7
127.03891	3.2
128.06210	1.8
129.07024	4.2
130.07758	1.2
131.08582	12.4
133.10129	15.8
135.08057	2.1
135.11682	4.9
137.05948	1.3
137.09625	7.8
139.03976	1.1
139.11186	5.3
141.06985	1.7
141.09109	7.6
142.07747	3.1
143.08565	9.9
143.30756	1.0
145.10126	14.3
147.08040	5.5
147.11696	6.4
149.09592	3.7
149.13248	2.1
151.07562	8.2
151.11151	5.2
153.09195	1.2
155.08604	2.2
156.09419	1.6
157.06523	1.1
157.10139	23.8
159.11696	8.1
161.02345	1.7
161.09608	3.8
161.13254	7.1
163.03882	6.8
163.11176	4.5
165.09114	62.5
165.12733	1.7
167.03339	1.2
167.10655	5.2
169.10138	4.5
171.11687	16.3
173.02344	2.5
173.09663	1.5
173.13263	2.8
175.11234	3.6
175.14867	1.1
179.10664	39.2
181.10127	1.7
181.12257	2.5
183.10245	2.0
183.11742	3.1
185.13226	6.0
187.03947	2.0
193.12288	2.4
195.11768	2.2
196.12517	2.0
197.13350	2.0
199.03960	1.5
199.14589	1.1
207.11725	1.6
209.13286	1.7
211.14772	7.6
211.32819	1.0
213.05559	2.1
213.16368	30.4
219.30197	0.9
223.14964	1.4
225.16364	2.8
227.17928	2.0
229.15839	6.8
231.17488	9.5
237.16458	2.7
249.16478	1.7
251.17934	2.5
253.19534	1.5
267.07712	1.3
267.13617	1.8
267.17542	1.4
269.19061	1.3
271.20624	1.9
273.22040	4.8
279.21103	1.2
287.20081	1.0
295.20615	1.3
297.22159	2.8
311.12778	1.4
311.19855	1.6
315.23239	8.1
355.15433	3.6
355.26364	1.3
375.26895	2.5
383.29449	2.8
393.27911	12.3
411.28937	100.0
412.28964	1.6
429.18942	18.1
429.29984	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.04798	1.3
50.43724	1.3
55.05513	2.7
57.07083	16.0
65.55244	1.1
67.05498	4.3
69.07058	3.4
71.08633	10.6
81.07056	5.4
83.08617	2.9
85.10192	6.9
85.77970	1.4
93.07032	2.7
95.08619	6.0
97.10194	2.2
98.20719	2.6
105.07044	3.3
107.08587	5.3
109.10188	5.8
111.11700	1.4
119.08609	2.2
121.10155	2.7
121.31457	1.1
128.92961	1.1
131.08604	2.4
133.10086	1.3
135.08089	4.3
135.11761	1.6
137.09605	6.8
137.13268	1.3
139.07552	2.7
145.10117	1.9
149.09608	13.5
157.10234	1.6
159.11668	3.5
161.09709	1.3
163.11195	18.8
165.09129	100.0
173.09692	2.4
173.13281	2.2
175.11212	5.3
177.09125	12.1
187.11206	2.5
189.12755	1.7
191.10683	11.1
201.12820	2.3
203.10655	1.8
205.12280	8.2
215.14345	2.1
219.13875	3.5
233.15439	2.6
240.15402	1.5
275.20084	1.9
289.21597	1.7
295.68948	1.5
315.98773	1.3
365.15448	1.5
411.36273	2.2
429.32278	3.0
429.37314	60.3
430.37796	1.9
444.20422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.07108	1.1
53.03941	5.8
55.01866	4.4
55.05518	8.0
57.03436	10.1
61.02930	2.4
67.05508	14.9
68.59179	1.2
69.03441	21.5
69.07066	4.6
69.65894	1.1
70.06593	16.7
71.01366	1.3
71.04996	6.4
71.52069	1.2
72.08164	4.2
79.05498	14.4
81.03427	60.3
81.07060	23.3
82.07400	2.9
83.04978	15.0
83.08630	15.9
84.04510	2.3
84.08168	8.0
85.02914	20.6
85.06562	2.5
86.09702	14.9
87.22301	1.4
91.05489	17.4
93.07050	13.2
95.04961	18.3
95.05495	1.8
95.08599	9.7
96.08946	1.9
97.02896	37.7
97.06547	7.5
97.10176	3.2
99.04462	6.0
103.03936	1.4
105.07023	13.8
107.04977	6.8
107.08600	8.4
108.09026	1.2
109.02898	12.5
109.06553	2.7
109.10152	2.6
111.04464	6.4
111.08109	8.0
117.07036	5.1
119.04951	1.4
119.08573	11.3
121.06525	2.1
121.10150	9.6
122.10461	1.8
123.04428	3.0
123.08108	4.4
123.11678	2.8
123.95158	1.1
125.09646	1.8
127.03929	12.4
129.05516	4.0
129.07022	4.5
129.10236	2.4
131.08586	5.9
132.04417	1.6
133.06508	3.0
133.10141	6.4
135.04456	1.7
135.08115	1.7
135.11702	1.9
137.06006	1.6
142.07782	1.8
143.08563	2.1
145.10121	3.8
147.04454	2.6
147.08055	2.4
147.11673	13.4
149.09666	4.9
157.10138	6.4
157.13457	1.4
158.26819	1.2
162.06754	2.0
163.03925	1.4
163.11191	4.5
164.04140	1.6
165.12782	3.5
171.11664	1.9
173.13148	2.1
175.11203	11.7
177.05644	1.2
181.12231	8.4
185.09491	1.6
189.12833	1.7
191.10774	2.1
193.12267	36.1
196.37656	1.1
201.05487	3.4
201.07480	1.3
203.13904	1.7
209.11694	1.4
211.13297	60.7
216.07547	1.6
227.12830	2.3
228.14735	1.5
229.14331	2.4
231.36301	1.3
232.10652	1.9
235.13445	2.4
249.14873	5.1
260.10101	2.0
267.15985	6.5
272.17737	1.3
273.14783	1.5
285.16968	15.9
290.18140	2.0
298.17923	1.6
313.16446	1.5
337.16440	2.1
339.64081	1.4
340.20328	1.3
355.17639	3.5
371.17218	1.7
393.19250	2.8
411.20126	5.5
429.21225	100.0
429.26468	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	429.2122
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	7.8
55.01869	8.2
55.05276	3.4
55.05498	16.9
57.03447	28.0
58.58039	2.5
61.02930	33.7
65.03938	3.2
67.05510	36.7
69.03431	32.3
69.07067	8.6
69.68162	6.3
69.68582	10.8
70.06593	3.8
71.01347	7.6
71.04973	5.3
72.08138	3.3
73.02915	12.8
79.05500	42.1
81.02940	5.0
81.03417	100.0
81.07056	31.4
82.76140	2.6
83.04980	12.5
83.08634	19.8
85.02910	40.9
86.09718	7.6
87.04463	2.6
91.03951	15.7
91.05480	31.0
93.07036	22.9
95.04971	85.7
95.08616	19.5
97.02893	37.0
97.06540	17.3
97.10171	6.9
98.06874	4.8
98.21537	2.9
99.04444	6.7
101.02352	5.4
103.03943	12.9
105.07023	26.9
107.04977	24.8
107.08605	19.5
109.02876	20.2
109.06522	11.4
109.10151	6.6
111.04448	9.7
111.08080	7.1
117.07028	11.3
119.04965	3.6
119.08557	18.9
121.06519	12.7
121.10152	11.7
123.04425	39.7
123.08105	5.7
123.11718	2.9
125.06006	3.0
125.09655	5.5
127.03902	18.9
129.06987	17.7
131.08554	17.7
133.06529	7.3
133.10170	10.9
135.04460	4.8
135.08078	9.2
135.11688	5.6
137.05994	7.6
143.08580	5.7
145.04956	7.8
145.06421	5.2
145.10141	15.5
147.04420	9.5
147.08049	12.6
147.11725	15.0
149.05997	4.4
149.09660	7.7
153.09134	4.3
155.08693	4.0
157.10126	12.2
161.05914	3.6
161.09702	5.7
163.03918	7.5
163.11203	18.7
163.13348	11.1
164.04260	7.6
164.13664	9.2
165.12762	8.3
169.10030	3.4
171.11623	4.3
173.05951	3.5
173.09616	8.8
175.11189	10.6
183.06430	5.2
189.05423	5.4
189.12735	10.8
191.10667	5.0
191.35474	2.8
193.12260	41.5
205.12242	8.6
206.09007	6.4
207.13881	9.3
211.13312	34.9
216.07451	3.2
217.12303	7.2
223.13380	3.0
227.14423	3.3
231.09985	2.9
231.13953	2.9
232.10510	5.5
235.13275	65.2
249.14882	9.7
250.11528	3.1
253.14482	4.2
259.09879	3.3
259.13248	16.7
260.10086	8.0
267.15860	40.2
273.14908	23.3
277.14368	7.4
285.16986	6.9
289.14172	4.5
291.15863	4.3
301.14270	27.0
309.16971	36.7
313.07230	3.3
313.16550	3.5
319.15460	7.7
321.17230	4.7
333.17029	5.1
337.16577	3.4
351.18179	4.4
357.16827	5.1
375.18121	26.0
393.19287	18.9
411.19998	13.2
429.21286	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	429.2122
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02396	3.5
53.03937	14.1
55.01876	7.5
55.05518	18.3
57.03436	26.9
59.04994	5.3
60.25933	3.2
61.02930	24.9
63.03981	4.2
65.03940	5.7
67.05510	38.4
69.03443	27.6
69.07069	14.1
69.73059	14.2
70.06596	33.7
71.04989	10.4
72.78245	3.1
73.02910	12.6
79.05499	32.9
81.03422	100.0
81.07059	82.2
82.07401	21.3
83.04975	18.2
83.08627	16.2
84.08161	4.9
84.17576	3.2
85.02914	37.7
85.06579	5.0
86.09712	61.3
89.06032	4.8
91.03951	10.3
91.05487	35.8
93.07041	35.4
95.04980	82.1
95.08603	27.6
96.08897	5.8
97.02900	46.1
97.06525	16.3
97.10180	9.7
97.69045	3.5
98.21401	7.0
99.04440	9.3
103.03953	11.8
105.01818	3.7
105.07030	27.6
107.04961	23.2
107.08598	19.8
109.02904	23.0
109.06516	13.3
109.10173	9.2
111.04427	7.8
111.08087	8.0
116.07076	17.9
117.06999	13.0
119.04929	4.5
119.08611	18.9
121.06528	13.3
121.10177	23.5
122.10515	5.9
123.04434	42.2
123.08026	10.8
125.09660	7.6
127.03951	23.2
129.07018	13.4
131.04860	4.9
131.08591	16.9
133.06541	8.4
133.10150	15.2
135.04387	3.7
135.08057	7.5
135.11667	8.8
137.06009	7.2
137.09642	5.6
139.11215	6.3
142.82045	3.1
143.08536	9.0
145.04926	4.4
145.06465	7.0
145.10133	17.1
147.04434	10.9
147.07979	4.9
147.11696	15.8
149.05984	5.2
149.09633	12.0
153.09091	5.3
157.10147	12.5
159.08040	3.9
161.06018	6.0
161.09599	7.1
163.03882	4.0
163.11240	17.9
165.12869	5.6
171.11659	6.6
173.09618	11.4
173.12910	8.1
175.11172	14.4
185.12941	3.9
187.11232	4.5
189.05557	4.2
189.12752	9.3
191.10739	4.1
193.12273	40.2
201.12425	6.6
205.12268	9.0
207.13834	9.8
211.13277	45.2
216.07405	3.7
217.12262	8.1
223.13289	4.2
229.15648	18.1
235.13312	68.2
237.14270	4.3
246.14993	13.4
247.13202	4.5
249.14893	12.3
253.14223	7.4
259.13303	12.8
260.10074	7.2
267.15887	27.8
273.14825	33.0
277.14343	11.7
283.13208	4.1
285.16971	6.4
289.14343	4.5
290.18265	8.2
296.19757	7.7
301.14401	29.6
309.16949	37.6
319.15427	10.3
333.17361	3.6
351.18091	8.0
363.18079	4.3
375.18024	22.8
393.19034	19.9
394.11899	5.1
411.20334	19.4
429.21179	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	428.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01861	2.0
55.05510	5.4
55.47187	2.2
59.04986	2.7
67.05510	15.4
69.03432	6.4
69.07066	3.4
70.06161	7.3
70.06580	4.9
72.08163	3.4
76.02242	2.6
78.13376	2.2
79.05487	19.0
81.03429	6.6
81.07072	16.6
83.04989	13.4
85.06557	11.6
86.09699	3.5
88.04006	3.7
90.30357	2.2
91.05491	35.3
93.07050	100.0
95.04985	12.6
95.08601	19.3
103.05428	2.8
104.35151	2.2
105.07035	21.4
107.04958	4.2
107.08615	14.5
107.09211	2.0
109.06522	26.1
109.10159	11.7
111.08092	14.5
117.07030	10.4
119.08586	38.0
121.06503	8.6
121.10167	7.5
122.02798	13.2
122.25222	2.2
123.04445	9.3
123.08057	4.2
125.09652	4.9
127.07533	4.1
128.06223	4.6
129.07002	3.7
131.04869	2.4
131.08560	6.0
133.06540	3.5
133.09229	2.3
133.10107	12.9
135.08052	8.0
137.09627	33.1
138.47804	2.4
142.07733	3.7
143.08572	15.5
145.06490	5.1
145.10138	5.3
147.08040	4.9
149.09641	7.0
153.09114	39.0
156.09360	2.6
157.10147	10.9
159.08035	6.1
159.11722	8.6
161.06030	3.7
161.09637	31.2
161.13283	3.5
163.11275	3.2
167.10692	4.5
169.10201	3.0
170.11020	2.7
171.08112	4.4
171.11740	2.7
173.09618	3.3
175.11284	3.2
179.10712	9.7
183.11734	2.7
185.09717	2.9
185.13184	3.2
186.05902	4.6
187.07567	3.2
187.11203	7.9
189.09134	7.9
189.12773	6.4
191.07040	7.6
197.09714	3.3
199.14804	4.5
201.12743	4.0
204.06987	3.5
205.08672	4.4
205.12247	4.1
213.12703	2.9
215.07182	4.0
215.10709	19.6
217.09021	2.2
217.15977	3.7
227.14247	13.2
229.12247	4.5
231.09883	3.3
233.08017	2.9
233.11749	4.1
235.09688	3.3
243.17535	5.5
245.15359	18.5
253.15974	3.3
259.09995	2.3
259.16937	4.2
271.16940	45.6
277.10748	5.7
289.17938	20.9
305.15640	2.4
307.15820	2.2
307.19019	11.0
348.24637	2.2
364.69794	2.4
392.18945	17.5
393.11819	3.2
410.19977	3.8
420.50388	2.2
428.21091	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.6
55.01875	7.7
55.05513	3.9
57.03443	5.6
57.07078	1.2
59.05016	4.0
61.02926	4.6
67.05502	3.4
68.99782	3.1
69.03432	33.1
69.07060	3.2
69.17395	4.9
69.17819	3.5
70.06594	3.0
71.01370	1.1
71.04999	7.4
72.08139	1.6
73.02916	5.6
73.42598	0.8
79.05499	27.7
81.03424	31.1
81.07059	12.8
83.01322	0.8
83.04976	8.8
83.08634	6.5
84.08140	3.0
85.02911	55.3
85.06529	1.6
86.09724	6.5
87.00837	19.9
91.02579	0.7
91.03934	2.1
91.05470	7.8
93.07050	12.3
94.07369	1.0
95.04977	15.2
95.08600	2.7
97.02897	24.4
97.06538	18.1
98.06867	0.9
99.04467	10.3
103.03935	1.5
105.01879	15.4
105.07030	8.9
107.04953	7.9
107.08607	10.1
109.02885	25.4
109.06515	3.9
109.10146	2.0
111.04451	3.3
111.08096	4.1
117.01852	2.9
117.07023	2.9
119.08612	6.4
121.06525	4.4
121.10152	25.7
123.04441	2.5
123.08078	8.5
125.06007	2.7
127.03926	41.8
129.01828	3.1
129.07005	1.1
129.10295	1.1
130.07785	2.9
131.08554	1.7
133.06541	1.2
133.10135	2.7
135.04414	0.8
135.08101	2.7
135.11717	6.4
137.09607	7.9
143.08615	1.6
145.04964	16.7
145.10130	13.9
147.02869	2.4
147.08017	2.1
147.11743	1.6
149.05894	1.0
153.09081	1.2
157.10217	1.9
157.13376	1.5
159.02907	16.9
161.06000	1.0
161.09637	2.4
163.11191	73.9
164.11508	1.2
165.09190	1.5
165.12750	1.1
167.07072	1.8
172.08543	0.8
175.11194	2.9
177.03976	1.0
181.12245	100.0
185.71368	1.0
187.11186	0.8
189.03960	2.1
189.09180	1.0
190.09540	1.3
191.07100	1.6
192.07376	1.3
193.12241	2.0
195.08096	0.8
205.12248	4.3
211.13379	2.1
213.03944	1.8
223.13251	6.1
231.05000	8.1
249.18567	1.3
267.16049	1.3
271.13287	1.9
367.19363	2.4
393.15271	2.2
411.16360	2.4
429.16550	2.5
429.21201	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	429.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03955	5.1
55.01879	9.6
55.05515	8.6
55.87636	0.6
57.03438	2.9
57.17094	0.6
58.06618	0.7
58.99583	0.6
65.03938	1.5
67.05508	7.6
69.03434	2.0
69.07074	12.1
70.06570	0.7
71.04993	1.6
71.11597	0.6
71.52409	0.9
74.00671	2.4
76.04008	0.9
77.03924	1.4
79.05503	9.8
81.03428	3.2
81.07061	20.4
83.04985	6.1
83.08618	5.1
84.04506	4.8
84.08165	1.5
85.02917	1.2
85.06546	3.0
86.00679	1.1
86.06078	2.0
86.09734	1.1
88.02240	1.2
91.02205	1.0
91.05488	25.4
92.01709	6.4
93.07051	100.0
94.06599	0.9
95.04961	7.3
95.08614	7.8
96.08166	0.9
97.02898	1.2
97.06534	4.9
97.10147	1.1
98.06027	1.0
99.02673	1.1
99.08118	0.8
105.04542	2.5
105.07030	8.1
107.05016	0.7
107.08597	6.8
108.08189	1.0
109.02897	0.9
109.06528	5.0
109.10155	4.8
110.06028	2.0
111.08090	46.8
112.03963	5.0
112.07646	0.8
117.07047	1.0
119.08591	5.7
121.06498	1.8
121.10159	9.2
122.09692	1.1
123.04519	0.9
123.08099	4.9
123.11701	1.8
124.07601	1.1
125.09641	12.2
126.09127	1.2
127.11157	1.1
129.07050	1.1
130.05011	21.8
131.08609	3.9
133.10138	5.9
135.08112	2.0
135.11717	2.7
136.07614	1.1
137.09613	2.3
139.11212	2.3
140.10739	3.6
143.05254	1.4
143.08582	2.0
145.02913	0.8
145.10152	2.7
146.07376	0.8
147.08142	0.8
147.11711	3.1
148.11221	0.8
149.09631	2.6
150.12735	0.8
151.11182	1.6
153.07138	0.8
155.08565	0.8
157.06718	0.8
157.10184	2.3
159.11728	1.7
160.00624	1.1
160.11292	1.0
160.68449	0.7
161.02367	1.5
161.09657	2.4
161.13298	0.9
163.03976	1.8
163.11226	2.0
164.10745	1.0
165.09120	1.5
165.12828	1.1
169.10213	0.9
171.11723	1.1
173.02374	1.1
175.11221	1.8
176.10765	0.7
177.03291	4.6
177.12885	0.8
178.01704	5.5
178.12315	2.8
179.10681	1.1
181.12274	1.3
189.03371	1.1
189.16435	1.2
193.12352	1.2
195.04370	14.3
195.08411	0.9
196.13380	1.1
198.09587	0.8
199.03897	0.9
199.14850	0.9
211.13229	1.0
212.03859	1.0
213.05571	1.4
213.16434	1.0
215.07088	1.2
216.10522	1.5
217.15985	3.5
233.06102	0.7
234.18550	1.7
235.16939	7.9
236.17754	2.5
245.06010	2.2
251.18738	0.9
252.19560	1.2
260.10114	2.2
263.06900	3.3
267.13968	1.4
269.06024	1.9
273.09152	1.1
277.21719	2.1
285.09308	0.8
285.15472	1.0
291.10236	1.6
295.22980	1.3
301.12332	2.2
319.13306	4.6
325.12198	3.6
326.17868	5.4
337.12128	0.9
355.12952	4.5
373.14362	2.3
375.17142	0.7
393.18253	1.0
411.19501	7.2
411.29028	2.4
429.20557	58.7
429.30026	1.9
430.20810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01857	3.3
55.05494	7.2
57.03423	5.9
57.07067	4.1
58.99591	2.6
59.04995	4.8
61.02924	2.7
61.94590	1.8
63.38269	2.0
65.15762	1.8
67.05505	13.7
68.06168	1.9
69.03430	15.6
69.07056	4.4
69.54982	11.1
69.90260	1.8
70.06583	8.3
71.04991	2.3
72.08134	4.0
76.02238	3.6
77.42667	2.0
79.05492	14.7
81.03353	2.4
81.07064	22.1
83.04987	19.0
83.08618	4.3
84.08132	2.6
85.02888	3.8
85.06543	6.7
86.09702	8.9
89.02394	2.1
91.05471	18.4
93.07050	24.3
95.04963	11.3
95.08614	56.3
97.06504	11.7
100.02235	2.2
104.10733	8.1
105.00065	4.4
105.07037	23.4
107.08591	17.9
109.06535	12.6
109.10154	6.2
111.08091	50.2
113.06015	2.3
115.05415	4.3
117.07001	8.0
119.04897	2.9
119.08592	36.4
120.08121	5.7
121.06498	4.2
121.10143	21.9
122.02736	31.5
122.59808	1.8
123.04429	6.8
123.08053	5.6
125.09628	14.7
127.07550	7.8
128.06224	3.5
129.06998	9.5
130.07791	3.9
131.08589	12.9
133.06532	2.5
133.10136	19.6
134.04620	7.0
135.04416	2.8
135.08038	16.3
135.11676	5.7
136.06201	7.3
137.06561	2.5
137.09622	61.1
139.07581	2.3
141.06940	4.2
142.07761	4.5
143.08551	30.5
144.09340	5.7
145.06480	3.6
145.10138	27.4
146.07263	2.7
147.08055	18.1
147.11664	5.2
149.09583	15.3
151.11221	3.8
153.09106	42.2
155.08421	3.5
156.09378	2.6
157.10149	25.6
158.10896	24.8
159.08031	12.4
159.11710	23.7
161.06007	15.7
161.09631	26.0
161.13237	4.8
163.03900	5.2
163.07536	8.7
163.11189	8.9
165.02367	5.6
167.07024	4.6
167.08406	2.8
167.10672	13.7
169.10130	5.8
170.10870	2.7
171.08018	5.1
171.11694	7.4
172.08780	2.4
173.09601	6.0
173.13225	7.4
175.07535	7.9
175.11203	5.9
175.14784	3.0
177.05415	4.0
179.10666	5.3
182.04980	100.0
183.11700	3.9
184.07384	6.1
184.12459	2.7
185.13260	9.2
186.10352	7.0
187.07591	6.2
187.11218	16.0
189.09122	20.5
189.12737	5.7
189.16377	3.9
191.07022	49.9
191.10712	3.8
191.14313	3.2
194.04909	2.9
195.08115	4.7
195.11737	3.9
197.09637	2.5
199.07584	3.1
199.14825	14.5
201.12747	17.3
203.14270	5.8
205.05461	2.5
205.08740	11.2
205.12158	5.5
207.10161	7.8
209.13303	2.9
211.14871	4.4
212.11981	2.9
213.09183	7.9
213.12746	5.2
215.07079	6.2
215.10640	2.9
215.14160	4.8
217.08694	4.4
217.15857	9.6
219.13802	6.5
225.16388	2.5
227.14334	19.8
228.06851	6.4
229.15919	6.4
231.06975	6.6
231.10175	9.1
231.13864	13.2
233.08099	10.8
235.09599	14.8
241.08611	2.4
245.15387	39.9
248.09669	10.5
249.11290	2.9
253.16025	3.7
259.09653	14.5
263.16428	27.5
266.10706	76.6
271.16931	28.4
277.10730	20.1
289.18015	28.9
307.18918	6.9
336.16159	3.6
348.16360	8.1
374.17883	4.8
389.26642	2.3
392.18982	5.8
393.11957	2.9
410.19971	6.9
410.95612	2.0
411.12653	7.9
428.15948	74.5
428.20612	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	428.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91735	0.9
53.03958	1.2
55.01874	2.3
55.05539	1.1
57.03429	3.3
67.05495	3.7
69.03445	1.3
69.07076	7.9
70.06586	1.1
70.09131	3.5
70.14518	0.9
71.01360	4.1
71.05006	1.0
79.05495	10.4
81.03385	1.2
81.07050	2.0
84.08144	1.4
85.02890	2.0
86.06078	1.0
86.09712	1.0
89.02401	15.7
91.05471	2.8
93.07056	2.0
95.04951	3.8
95.08610	1.2
97.06537	100.0
99.00822	1.5
100.92595	0.9
105.07025	1.1
107.04981	1.3
107.08565	1.1
109.06551	1.2
111.04434	1.2
117.03407	1.8
120.08108	7.0
121.06539	1.2
123.04452	3.7
129.07016	1.5
130.06529	1.7
131.08586	1.1
132.04483	1.3
133.06509	1.1
133.10098	1.0
135.02901	6.2
135.04424	13.6
136.11308	0.8
139.03909	2.1
143.08545	1.2
145.02864	4.5
147.04442	2.1
147.08031	1.5
149.05980	1.2
153.05406	1.4
157.06500	7.8
159.04417	2.3
159.08041	1.4
161.02365	4.4
161.05975	3.8
163.03914	72.3
166.08524	1.0
173.02328	10.6
175.07491	1.9
177.09145	1.0
183.72620	1.0
185.09659	1.4
187.05357	0.9
187.07568	2.0
189.05527	7.4
190.08595	1.0
203.10783	4.6
205.08606	63.3
213.09071	5.3
215.07043	14.6
231.10172	45.6
233.08148	0.9
235.11012	5.3
249.11240	41.3
259.09677	57.2
260.10049	1.2
266.24786	3.7
277.10724	9.0
297.06125	1.2
365.12393	2.0
375.10794	5.1
393.11807	24.3
428.19919	4.5
428.29932	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26123	1.1
52.55692	0.8
53.03939	3.1
55.01854	3.3
55.05272	1.3
55.05516	13.8
57.03440	4.6
57.07044	1.1
59.05004	4.4
61.02929	4.9
65.03939	1.3
67.05493	3.3
69.03435	17.1
69.07068	5.9
71.04975	2.4
71.06542	1.8
73.02905	2.3
79.05502	4.9
80.05813	1.0
81.03419	7.8
81.07065	6.9
81.71115	0.8
83.04488	1.6
83.04987	20.0
83.08618	2.5
84.66758	0.9
85.02910	39.3
86.09714	1.7
87.04452	2.5
91.03950	2.0
91.05476	4.4
93.07056	6.7
95.04976	24.4
95.08619	7.1
97.02906	12.3
97.06550	2.9
97.48940	0.8
99.04459	2.9
101.06030	9.8
105.07040	7.8
107.04956	1.8
107.08607	10.6
109.02914	4.7
109.06520	9.3
109.10171	8.7
111.04465	1.4
111.08079	1.2
117.07063	1.6
119.04934	1.8
119.08576	5.6
120.08070	1.1
121.02865	1.5
121.06503	3.9
121.10138	5.2
123.08043	2.7
123.11710	4.1
125.06015	1.4
127.03934	7.0
131.08589	3.3
133.10126	3.9
135.08076	7.8
135.11705	7.6
136.29263	0.9
137.05975	1.3
137.09598	1.4
143.08562	2.4
145.04947	5.1
145.10129	8.5
147.08005	1.4
147.11696	6.8
149.09613	4.0
150.77927	0.9
151.07521	1.8
157.10107	1.2
159.08095	3.4
159.11728	4.8
161.09590	2.6
161.13303	2.2
163.03896	2.5
163.11166	6.6
163.34561	1.0
165.12762	57.0
171.11700	2.8
172.03932	2.5
173.09572	2.6
173.13254	1.3
175.14832	2.1
177.09090	5.9
177.16479	1.2
179.10503	1.3
185.13258	1.1
187.14841	3.9
189.12741	4.6
191.10774	4.9
201.16434	1.8
205.15938	6.0
211.14795	1.1
217.15990	1.1
219.17526	1.4
229.15918	3.0
238.92119	1.2
242.09180	1.7
247.16948	33.6
247.19518	1.6
259.09454	1.5
265.18002	100.0
266.18454	1.3
275.20255	1.1
302.13980	1.1
313.07016	3.1
336.73117	0.9
353.05759	0.9
366.35687	1.0
367.07977	2.4
395.17120	1.7
397.09085	0.9
409.09262	1.3
409.22424	1.1
415.73920	1.0
427.10162	2.8
427.18436	1.5
427.23761	10.5
427.28583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26123	1.1
52.55692	0.8
53.03939	3.1
55.01854	3.3
55.05272	1.3
55.05516	13.8
57.03440	4.6
57.07044	1.1
59.05004	4.4
61.02929	4.9
65.03939	1.3
67.05493	3.3
69.03435	17.1
69.07068	5.9
71.04975	2.4
71.06542	1.8
73.02905	2.3
79.05502	4.9
80.05813	1.0
81.03419	7.8
81.07065	6.9
81.71115	0.8
83.04488	1.6
83.04987	20.0
83.08618	2.5
84.66758	0.9
85.02910	39.3
86.09714	1.7
87.04452	2.5
91.03950	2.0
91.05476	4.4
93.07056	6.7
95.04976	24.4
95.08619	7.1
97.02906	12.3
97.06550	2.9
97.48940	0.8
99.04459	2.9
101.06030	9.8
105.07040	7.8
107.04956	1.8
107.08607	10.6
109.02914	4.7
109.06520	9.3
109.10171	8.7
111.04465	1.4
111.08079	1.2
117.07063	1.6
119.04934	1.8
119.08576	5.6
120.08070	1.1
121.02865	1.5
121.06503	3.9
121.10138	5.2
123.08043	2.7
123.11710	4.1
125.06015	1.4
127.03934	7.0
131.08589	3.3
133.10126	3.9
135.08076	7.8
135.11705	7.6
136.29263	0.9
137.05975	1.3
137.09598	1.4
143.08562	2.4
145.04947	5.1
145.10129	8.5
147.08005	1.4
147.11696	6.8
149.09613	4.0
150.77927	0.9
151.07521	1.8
157.10107	1.2
159.08095	3.4
159.11728	4.8
161.09590	2.6
161.13303	2.2
163.03896	2.5
163.11166	6.6
163.34561	1.0
165.12762	57.0
171.11700	2.8
172.03932	2.5
173.09572	2.6
173.13254	1.3
175.14832	2.1
177.09090	5.9
177.16479	1.2
179.10503	1.3
185.13258	1.1
187.14841	3.9
189.12741	4.6
191.10774	4.9
201.16434	1.8
205.15938	6.0
211.14795	1.1
217.15990	1.1
219.17526	1.4
229.15918	3.0
238.92119	1.2
242.09180	1.7
247.16948	33.6
247.19518	1.6
259.09454	1.5
265.18002	100.0
266.18454	1.3
275.20255	1.1
302.13980	1.1
313.07016	3.1
336.73117	0.9
353.05759	0.9
366.35687	1.0
367.07977	2.4
395.17120	1.7
397.09085	0.9
409.09262	1.3
409.22424	1.1
415.73920	1.0
427.10162	2.8
427.18436	1.5
427.23761	10.5
427.28583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12471	0.2
57.04563	0.4
69.03424	0.2
70.06590	1.6
70.94396	0.2
71.51278	0.2
72.08134	0.3
84.08145	0.7
85.02908	0.7
86.09703	0.5
94.04068	1.3
94.54612	0.2
95.04985	0.3
95.32108	0.3
96.05617	0.3
99.60815	0.2
103.35630	0.2
116.07062	0.3
123.04453	0.8
123.06649	0.6
124.04764	0.4
124.07605	0.3
133.05049	0.3
136.07634	0.3
150.07756	100.0
151.08118	0.5
155.64868	0.2
176.05809	0.3
179.03435	0.5
187.28345	0.3
205.12384	0.2
247.07941	0.3
247.16719	0.2
264.12402	0.5
265.12634	1.0
282.12015	0.7
295.11508	24.9
395.06277	0.3
427.18350	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18347	1.4
55.05500	1.7
57.71603	1.2
67.05504	2.4
69.03434	2.4
70.06597	26.8
71.01336	1.9
71.51352	1.9
72.08157	8.4
73.02920	1.8
74.06073	2.7
84.04485	2.0
84.08152	30.9
85.02891	4.2
86.09689	3.9
88.03968	1.6
89.33540	1.3
91.05458	2.2
91.29484	1.1
97.02881	1.7
98.02437	2.1
99.04459	1.5
105.07059	1.9
107.04944	2.8
116.03442	2.7
116.07128	1.8
117.07013	1.5
119.04922	2.1
120.08079	2.2
121.06486	1.7
123.04436	1.5
129.06963	2.6
129.10231	3.1
130.08659	4.6
131.04947	3.6
131.08563	3.2
133.06503	2.5
134.04495	1.4
135.06779	2.0
136.07568	3.1
143.08533	2.9
144.08171	1.3
145.06456	2.0
145.10094	3.8
147.04437	1.6
147.06873	1.3
147.08018	5.1
148.07573	9.1
149.05995	1.8
150.07742	4.4
152.05673	2.3
156.28781	1.4
156.30104	1.3
157.06459	2.6
157.10123	5.0
159.08070	10.0
159.11710	2.1
160.07594	4.2
161.09598	4.3
163.03931	4.9
163.07533	4.6
165.05450	2.2
167.08534	1.7
170.07294	9.4
172.11157	1.7
173.09644	9.6
174.09093	2.8
175.11224	8.1
176.10712	12.7
177.09109	5.6
179.03378	2.6
183.08124	1.4
185.09622	50.3
186.12827	2.2
187.07626	1.9
187.11279	2.3
189.09119	6.5
189.12602	1.4
190.12271	13.0
191.07045	1.6
200.10745	8.4
202.12282	80.5
203.05292	8.8
203.10657	2.2
203.12495	1.6
204.13751	2.1
212.10724	1.9
213.09090	3.5
213.12366	7.3
219.10257	1.9
219.14934	19.7
220.13383	6.2
230.11774	2.1
231.10187	9.6
237.02777	1.5
238.08488	1.5
246.11372	2.1
247.14145	1.3
248.12883	13.7
265.15515	57.0
266.13843	2.1
274.10818	1.7
275.13904	2.3
282.11203	1.7
288.12250	1.5
300.12271	6.8
303.24158	2.2
311.16040	43.3
311.27826	1.4
318.13409	8.0
327.14169	7.8
328.11887	3.3
335.15799	1.7
346.12805	3.4
363.15723	7.2
364.13885	15.3
365.20593	6.0
381.16577	48.2
391.04974	1.5
391.22153	3.2
427.18149	100.0
428.19135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
53.05046	1.7
55.01870	2.2
55.05518	68.4
57.03437	6.1
59.29921	1.6
62.82387	1.7
63.85506	1.6
66.76110	1.5
67.05511	23.8
69.07076	32.9
69.43633	12.4
71.05002	12.7
73.02911	2.9
79.05496	23.7
79.16319	1.5
81.03410	9.6
81.07066	21.2
83.04990	4.4
83.08148	3.4
83.08625	39.2
91.05495	13.9
93.07055	16.0
95.04976	7.8
95.08617	8.8
97.02868	1.8
97.06542	100.0
97.10180	1.4
99.08105	3.4
105.07042	9.3
107.04959	4.3
107.08627	10.2
109.06512	4.3
109.10184	6.3
111.08102	4.0
115.07589	17.3
117.07035	5.3
119.04045	1.8
119.08614	6.7
121.06480	2.7
121.10129	7.5
123.08045	2.7
123.11690	1.9
129.07014	3.9
131.08577	8.7
133.06441	1.9
133.10153	7.5
135.08054	3.2
135.11719	7.4
137.09599	1.8
143.08549	3.0
145.10168	6.7
147.08080	2.5
147.11722	2.8
149.09590	2.2
149.13275	7.3
151.11154	3.9
157.10158	4.8
159.11711	7.1
171.11716	1.7
177.12773	5.2
184.07455	2.8
185.13284	2.5
195.12119	1.8
195.13728	9.1
205.12271	1.9
217.15909	4.8
219.13805	2.4
221.15373	2.5
223.13361	1.8
227.17789	2.2
255.17415	1.7
273.18478	10.6
291.19467	9.2
305.21283	2.4
336.64828	1.8
416.75262	1.5
416.81866	1.6
420.09427	1.8
426.30750	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	426.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.40968	2.1
55.01870	3.1
55.05517	40.5
56.42622	2.3
57.03428	5.3
60.95630	2.3
67.05513	22.3
69.06733	2.7
69.07073	30.0
71.04997	12.6
71.52920	3.2
71.53328	2.4
73.02894	2.9
79.05495	23.2
81.03416	7.2
81.07065	23.1
83.04973	3.8
83.08623	22.9
87.07909	2.0
91.05465	12.1
93.07058	23.4
94.11645	1.8
95.04960	9.8
95.08611	14.3
97.02943	3.1
97.06542	100.0
99.08080	8.2
105.07044	17.1
107.08573	12.1
109.06519	8.7
109.10148	9.9
110.27654	2.3
115.07578	27.3
117.07010	7.5
119.08556	7.7
121.06566	2.9
121.10137	7.8
122.09668	2.6
123.08064	3.3
123.11694	3.6
129.07018	3.8
131.08636	11.0
133.10117	7.6
135.08006	3.4
135.11681	5.9
145.10127	4.3
147.11703	2.6
149.13260	3.2
157.10176	6.7
159.11710	6.2
161.09619	2.5
161.13246	3.3
177.12827	5.8
195.13847	6.0
214.71532	2.3
236.91347	2.3
264.00879	2.8
273.18427	6.3
291.19583	6.1
301.17618	2.7
342.24313	3.2
357.62027	2.2
383.77838	2.3
447.04544	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	425.1783
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
50.44184	0.3
67.05487	0.5
69.37341	1.2
69.37759	1.2
70.06599	3.7
72.08166	0.7
76.53703	0.3
81.07042	0.5
83.04993	0.3
84.04511	0.6
84.08161	1.5
85.02891	0.5
86.09701	1.2
88.03962	0.3
91.05489	0.4
112.07642	0.6
120.08105	0.4
123.04414	0.6
124.07626	0.3
154.43828	0.3
160.92625	0.3
169.06810	0.3
195.73630	0.3
211.89461	0.3
213.12335	1.2
264.12280	0.6
265.49133	0.4
275.00928	0.3
309.82382	0.3
373.22806	0.3
425.17834	100.0
426.18311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.3
55.27600	1.9
57.03439	5.3
57.07081	23.7
61.31691	2.1
63.89114	1.9
67.05502	8.9
69.07065	5.6
69.69250	12.2
70.31899	1.8
71.08633	16.4
81.07060	11.2
81.70195	2.0
83.08640	5.3
85.10175	7.8
89.06016	5.4
95.08601	12.6
100.75406	1.8
109.10207	4.9
113.00029	89.7
125.05293	2.1
167.09491	2.0
169.02628	100.0
169.04077	5.3
187.03674	4.3
219.51047	2.2
221.90779	2.3
239.15076	3.1
243.15143	2.2
305.77911	2.0
308.72662	2.1
313.27393	44.9
407.25345	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57314	7.6
53.03951	8.4
55.05508	20.9
57.03437	26.4
59.25669	6.6
61.02930	16.8
65.03940	15.4
65.06657	7.0
65.61749	6.9
66.55923	6.3
67.05505	69.8
69.03444	17.2
69.07076	21.1
71.01342	22.6
71.04980	7.7
71.25403	12.1
73.02917	61.9
78.27460	6.7
79.05501	100.0
81.03423	8.6
81.07068	48.0
81.09425	6.1
83.04985	9.0
85.02905	22.9
91.05488	100.0
93.03396	10.2
93.07037	40.1
95.04971	24.5
95.08611	50.1
96.53266	7.2
97.02897	28.5
105.07037	49.5
107.04958	49.0
107.08597	19.8
109.06499	8.8
109.10109	18.0
113.61722	7.9
115.03944	15.1
115.05480	9.0
117.07030	46.6
119.04948	7.5
119.08596	28.8
121.06576	10.5
128.06227	17.4
128.14766	8.3
129.07002	45.2
131.04918	11.8
131.08551	51.2
133.06534	13.2
133.10141	13.2
135.08081	13.3
136.77644	6.4
143.08566	27.5
145.06503	10.3
145.10150	24.2
147.08139	13.6
147.11937	8.4
153.07036	7.3
157.10147	14.6
159.08073	8.9
167.08588	12.2
169.10211	9.3
171.08104	7.5
171.11641	10.8
177.09125	12.3
183.08099	7.1
259.20599	15.9
260.12735	7.3
277.21576	15.3
301.21667	17.4
317.64105	9.1
355.22552	7.6
391.24768	20.5
449.18918	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	426.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.4
55.01859	13.8
55.05504	21.2
57.03439	49.2
57.07074	4.5
61.02925	12.8
62.23581	4.3
62.41360	4.4
62.77426	4.1
67.05511	51.9
69.03434	24.8
69.07065	19.8
69.07616	5.1
70.34959	4.6
71.01341	18.9
71.04982	7.9
71.52784	6.2
73.02923	100.0
79.05492	39.4
81.03418	7.8
81.07067	43.2
83.04980	11.4
83.08649	7.4
85.02901	18.5
85.06538	5.3
91.05492	82.7
93.03405	15.7
93.07047	31.5
95.04944	11.5
95.08617	23.4
97.02878	13.3
99.04474	5.8
103.05469	7.5
105.07042	59.9
107.08586	17.8
109.06505	12.8
109.10153	9.4
111.08092	6.1
115.03925	22.7
115.05428	14.6
116.06263	9.1
117.07011	39.7
119.08599	29.6
121.06505	42.5
121.10136	10.9
125.09615	5.8
128.06224	17.4
129.07019	34.0
130.07802	6.8
131.04951	10.4
131.08574	55.6
133.04970	12.5
133.06508	7.7
133.10127	17.1
135.08055	6.7
135.11714	6.6
141.06981	9.6
142.07829	12.2
143.08578	29.2
145.06502	11.4
145.10141	38.2
147.08031	8.5
147.11705	12.5
150.07648	6.2
151.07622	4.5
155.08551	5.3
157.10139	24.1
159.08125	10.5
159.11671	17.4
160.37633	4.9
161.09625	7.9
161.13292	6.9
163.07645	6.0
169.10120	10.5
171.08081	12.6
171.11703	16.4
173.09621	11.5
173.13258	8.0
175.11176	9.8
175.14716	7.1
183.11597	5.1
185.09587	7.1
185.13264	11.5
199.14857	6.3
259.20575	25.2
301.21570	17.8
343.22607	6.9
355.22864	6.0
373.23819	6.0
391.24686	6.8
406.16400	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61543	1.1
55.01886	2.0
55.05523	5.2
57.03447	1.4
59.98169	1.1
67.05499	7.2
69.03437	3.2
69.07079	9.4
70.06586	2.5
70.07395	1.3
70.95313	1.4
71.04996	1.7
71.08631	10.0
72.08150	1.9
73.02928	1.9
77.03938	1.8
78.78677	1.1
79.05491	2.7
81.03419	4.0
81.07065	7.3
83.04971	1.4
83.08614	4.1
84.04510	2.4
85.02917	6.1
85.06557	8.1
91.05483	3.4
93.07048	3.6
95.04967	1.1
95.08620	5.8
97.02900	3.4
97.06524	2.7
99.04437	1.9
99.08091	10.1
105.01850	1.6
105.03410	1.8
105.07034	2.7
107.04918	1.1
107.08592	2.1
109.10167	1.8
111.08088	66.5
112.63203	1.2
119.06287	1.1
119.08563	1.8
121.10186	2.1
123.04429	1.1
123.11730	3.6
127.03901	2.7
129.07138	1.1
131.08568	2.2
133.10156	1.9
135.11693	1.1
138.05533	1.8
145.10149	2.5
147.11673	6.0
155.14317	84.6
156.08786	1.1
156.64259	1.2
165.12753	3.5
168.30620	1.0
173.02272	1.1
173.13533	1.1
183.13821	100.0
187.11147	1.1
201.14870	55.6
227.16423	4.5
245.17548	4.6
247.12154	1.1
341.02869	1.2
347.11038	1.4
369.88116	1.3
392.12308	1.5
406.18240	1.4
426.39401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19187	3.8
50.35283	3.8
51.02385	3.6
52.08567	3.2
53.03941	13.9
55.01866	9.8
55.05518	26.6
55.50717	3.2
57.03444	31.2
61.02929	8.4
65.03936	7.5
67.05511	84.7
69.03418	12.1
69.07070	16.1
70.11945	11.9
71.01350	9.2
71.04970	6.5
73.02926	58.4
79.05493	62.1
81.03421	22.6
81.07068	59.3
83.04942	3.9
85.02899	12.0
90.31361	3.4
91.05486	100.0
93.07063	36.4
95.04991	15.2
95.08614	31.5
97.02889	9.6
103.05450	8.1
105.04543	4.5
105.07037	52.9
107.04958	47.9
107.08578	14.0
108.08099	3.5
109.06532	4.5
109.10157	9.6
115.03951	11.3
115.05479	29.8
116.06249	7.9
117.07036	43.9
119.04945	5.1
119.08572	19.0
121.06505	15.9
121.10180	8.7
128.06241	45.7
128.12965	3.7
129.07024	46.2
130.07829	3.9
131.04950	22.9
131.08589	50.1
132.05751	4.6
133.04961	7.2
133.06485	28.3
133.10182	6.2
135.08119	4.4
141.06999	29.2
141.89279	3.4
142.07771	11.1
143.08565	33.8
144.05746	5.1
145.06516	26.9
145.10129	21.2
147.08049	9.4
147.11728	4.4
149.90585	3.7
150.07629	11.5
152.06285	4.9
153.07008	11.9
154.07774	8.4
155.06070	7.5
155.08568	25.4
157.06540	7.2
157.10117	14.8
159.08090	15.7
159.11684	7.6
161.09651	4.5
165.06966	6.8
166.28105	3.3
167.08630	7.4
169.10143	10.1
171.08034	8.8
171.11690	8.2
173.09698	7.1
179.08591	4.5
183.08089	7.9
183.11685	6.6
185.06139	4.0
185.09647	6.5
185.13237	4.1
197.09671	7.1
233.09634	4.1
233.84247	3.6
241.20279	3.8
246.43146	3.8
257.19119	6.5
261.66647	4.4
313.18698	3.6
424.28717	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
56.68871	1.2
67.05514	7.6
69.03410	1.5
69.07056	2.8
69.65235	1.3
71.38139	2.0
79.05493	5.2
81.03413	1.2
81.07058	11.7
83.04994	1.4
83.08608	3.0
84.04484	1.2
84.08161	2.7
86.09714	1.8
91.05475	4.7
93.07046	4.1
95.04970	1.5
95.08612	8.4
97.02896	3.2
97.06518	2.3
97.10175	1.4
101.00893	1.3
105.07040	4.9
107.08581	3.7
109.06518	2.0
109.10179	5.3
117.01996	1.2
117.07041	1.6
119.01923	1.5
119.08560	2.6
121.06503	1.2
121.10162	2.8
123.11741	1.8
127.03960	1.6
131.08563	3.4
133.10141	3.2
134.07814	1.3
135.08061	1.9
135.11758	2.1
137.09630	5.6
143.01884	1.5
143.08604	1.5
145.10139	3.1
147.11716	2.8
149.09621	1.5
157.10152	2.2
161.02933	1.7
161.13203	1.5
165.09132	35.2
167.56119	1.1
171.11760	1.6
175.11124	1.2
181.30899	1.2
184.60995	1.3
185.13432	1.4
193.12299	1.4
205.12241	2.1
211.14838	1.4
213.16440	2.0
240.14275	1.2
243.04721	10.5
245.06349	7.9
271.04321	1.5
273.18613	1.4
287.03741	89.7
289.05316	70.7
315.23038	1.5
377.11258	1.6
381.18805	4.4
425.17831	100.0
425.24796	10.8
425.30444	9.7
437.88474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01862	1.1
55.05518	5.2
56.13140	0.9
57.03431	1.8
57.07069	1.6
64.85049	0.9
65.03924	1.1
67.05515	9.5
69.07070	6.9
70.71889	0.9
71.04980	1.8
71.08640	1.5
71.51929	1.1
71.52360	1.3
79.05499	6.0
81.03455	1.5
81.07063	13.3
83.04983	2.6
83.08624	3.5
85.06531	1.0
89.06052	2.2
91.05473	5.3
93.07053	8.4
95.05000	1.1
95.08624	10.8
97.06515	2.2
105.07049	5.5
107.08608	7.5
109.06522	9.4
109.10168	4.9
111.08109	2.0
117.07065	2.1
119.08604	5.4
121.10179	5.4
122.07293	1.4
123.08073	42.8
123.11692	1.6
131.08675	1.9
133.10143	3.2
135.08055	10.5
135.11700	3.1
137.09610	2.6
139.03090	0.8
143.08609	1.3
145.10146	4.0
147.11708	3.1
149.09650	4.1
149.13263	2.8
151.11215	1.1
157.10167	1.1
159.11732	3.9
161.13217	1.8
163.11172	1.9
163.14839	1.1
177.12817	3.8
179.14339	18.5
184.72745	0.9
193.15994	1.0
200.58142	0.9
205.15952	1.1
215.17902	0.9
233.19035	1.7
247.20734	1.6
257.19064	1.1
263.20062	1.2
275.20041	4.7
286.24380	0.9
300.09329	1.0
303.26935	4.0
331.26331	26.6
349.27496	1.1
367.24640	2.0
423.31122	100.0
424.31351	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.42829	0.5
55.01855	0.7
55.05270	0.6
55.05514	5.8
56.25009	0.4
57.03429	1.8
57.07064	1.0
65.03947	0.7
67.05507	6.6
69.03422	0.9
69.06733	0.7
69.07076	7.9
69.58176	0.4
69.74586	2.6
71.04980	1.7
71.08625	1.2
75.04459	0.5
76.56223	0.5
79.05500	4.3
81.06587	0.8
81.07061	10.2
83.04994	1.4
83.08620	3.7
85.06521	1.1
85.41982	0.4
88.38768	0.4
91.05473	3.4
93.07046	6.9
95.04951	0.6
95.08617	11.5
97.06551	2.2
97.10163	1.0
99.08102	0.8
105.07037	3.6
107.08595	6.6
109.01144	0.4
109.06526	8.2
109.10179	4.0
111.08087	1.1
117.07011	0.8
119.08604	5.4
121.10163	4.6
123.08079	41.6
123.11704	1.9
125.09656	0.5
131.08609	2.3
133.10129	3.5
135.08072	7.7
135.11685	2.8
137.09637	3.4
145.10114	2.9
147.11688	2.9
149.09624	3.1
149.13301	1.7
151.11172	1.0
152.61853	0.5
157.10147	0.7
159.11684	2.3
161.09647	0.6
161.13281	1.1
163.11179	1.2
163.14841	0.6
165.12665	0.8
167.14418	0.6
173.13260	1.3
175.14853	1.1
177.12766	2.9
179.14339	16.7
187.14812	0.5
193.15924	0.8
205.15816	0.6
209.06207	0.5
215.17885	0.7
219.17259	0.5
233.19083	1.0
247.20647	1.0
259.02069	0.5
261.22150	0.6
263.20157	1.4
275.20105	3.5
293.21146	2.6
303.26852	2.9
313.25253	0.6
331.26318	26.6
349.23456	0.8
349.27371	6.3
367.24802	2.5
405.30112	2.2
423.31082	100.0
424.31470	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
53.08501	1.4
53.98949	1.4
54.33590	1.6
55.01863	1.6
55.05497	7.1
55.07847	1.7
57.03416	1.9
62.93932	1.8
65.24255	1.7
67.05495	7.2
69.03426	3.8
69.07071	20.4
70.06573	5.5
71.04990	3.8
71.08616	2.4
72.08166	2.2
73.02903	1.9
79.05486	6.4
81.03418	3.7
81.07058	27.7
83.04964	3.0
83.08615	6.2
84.04514	3.1
84.08161	2.3
85.02914	27.0
85.06529	5.1
85.17623	1.5
91.05491	4.6
93.07034	6.6
93.39143	1.7
95.04965	2.7
95.08626	10.8
97.02890	5.0
97.06516	4.9
99.04461	9.8
99.08106	1.7
101.02355	2.7
105.07036	13.5
107.04985	2.5
107.08600	7.6
109.02839	2.8
109.06532	9.2
115.07562	2.0
119.08584	8.0
120.08159	2.3
121.10155	15.0
123.08084	4.0
123.11708	33.5
125.05974	2.7
127.07561	8.9
136.07622	2.1
137.13280	2.2
138.05455	1.9
141.06934	4.1
141.09065	3.2
145.10120	3.6
147.11690	33.2
150.06738	1.4
155.14326	9.7
165.12775	20.3
183.13820	96.3
187.11211	2.5
201.14867	100.0
235.30087	1.8
301.11707	2.4
423.84265	2.9
424.19409	2.6
424.26761	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01866	3.0
55.05272	0.9
55.05515	9.8
57.03436	2.2
57.07086	3.1
65.03957	0.7
67.05511	27.9
69.03432	5.1
69.07076	9.4
70.96898	1.3
71.04986	2.1
71.08629	1.8
73.02922	1.1
75.04494	1.2
79.05495	15.3
81.03423	4.7
81.07064	25.7
81.56522	0.7
83.04994	2.1
83.08626	4.3
85.02909	0.9
85.06554	2.0
91.05486	8.8
93.07056	18.6
95.04989	2.1
95.08615	17.9
97.02903	10.0
97.06525	3.3
97.10164	1.6
99.04465	5.6
99.08090	1.9
105.04556	0.6
105.07042	9.2
107.08608	14.3
109.02898	2.8
109.06533	13.7
109.10169	12.6
109.10854	1.1
111.08121	2.3
114.96857	0.6
117.07058	2.0
119.08599	9.0
121.06532	1.7
121.10150	11.1
123.08079	35.9
123.11691	3.2
125.09628	0.8
127.03930	8.2
128.25630	0.7
129.07004	1.5
131.08578	5.1
133.10152	6.4
135.08076	7.8
135.11710	5.1
137.09618	3.4
137.13307	1.4
143.08594	0.9
145.05028	1.4
145.10161	3.8
147.11693	4.3
147.90604	0.7
149.09665	2.4
149.13290	4.3
156.20839	0.7
157.10179	1.6
159.11714	6.0
161.09610	1.1
161.13286	2.4
163.11211	1.0
163.14807	1.3
165.12825	1.6
167.14363	1.3
171.11684	0.7
173.11766	2.3
173.13322	2.5
175.14871	1.4
177.12737	5.5
179.14326	42.7
185.13397	0.9
187.14883	1.7
189.16498	0.8
191.14342	1.5
193.15930	0.9
205.15942	2.1
233.19089	1.7
243.21072	1.3
247.20732	1.4
259.20697	1.0
261.22168	3.4
263.20163	1.6
270.49704	0.7
275.20084	4.8
289.25388	1.0
303.26807	4.4
313.25348	0.8
331.26337	33.9
349.27402	1.7
367.24860	1.8
423.31241	100.0
424.31705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
53.31398	0.6
55.01880	1.4
55.05517	7.2
57.03432	2.4
57.07069	2.0
65.03923	0.8
67.05139	0.7
67.05505	12.7
69.03432	2.4
69.07068	7.3
69.29913	6.4
69.52418	0.7
69.62579	0.6
71.04994	1.9
71.08640	1.4
79.05497	7.8
79.28724	0.6
81.03409	2.5
81.07056	15.3
83.04961	1.6
83.08609	3.6
85.02893	0.7
85.06548	1.5
91.05488	4.9
93.07045	12.7
95.04982	1.1
95.08613	13.1
97.02892	4.7
97.06531	2.4
97.10160	1.3
98.20775	1.4
99.04461	4.1
99.08113	0.8
105.07028	6.3
107.08606	7.7
109.02868	1.2
109.06524	9.2
109.10161	5.4
111.08102	1.5
117.07029	1.7
119.08581	6.2
121.10161	7.0
123.08071	37.8
123.11697	1.8
127.03890	4.3
131.08600	4.0
133.10138	3.8
135.08044	7.9
135.11699	3.4
137.09612	3.0
137.13364	0.7
138.92216	0.6
145.04916	1.0
145.10123	2.6
146.58974	0.6
147.11725	3.5
149.09637	2.1
149.13254	3.1
151.11108	0.8
159.11723	3.1
161.13287	2.5
165.12794	1.0
167.14354	0.8
173.13338	2.0
175.14833	1.2
177.12778	3.9
179.14316	25.4
191.14366	0.8
205.15919	1.5
233.19067	0.9
261.22208	2.3
262.50070	0.9
263.19919	1.6
275.19922	3.3
277.21701	0.7
293.21005	3.4
300.28119	0.8
303.26862	2.8
304.67596	0.7
313.25220	1.0
331.22375	1.2
331.26300	22.4
331.30136	1.3
332.26917	0.8
349.27362	6.0
367.24829	0.9
405.29849	1.5
423.31085	100.0
424.31375	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87953	1.0
53.03951	1.6
55.01880	2.9
55.05507	1.9
56.05040	1.1
57.08827	0.9
58.99593	3.8
61.01145	7.6
67.05495	2.2
67.08976	0.8
69.03419	1.4
69.07079	1.5
70.06596	20.7
71.03226	0.9
71.03545	1.6
71.04991	1.7
72.04524	11.7
72.08157	7.7
73.02928	1.9
73.19102	0.9
76.02232	5.0
78.03790	15.5
81.03431	2.5
83.04997	3.2
84.04498	4.8
84.08158	6.7
85.02910	9.0
86.06071	2.2
86.09727	3.6
86.99074	2.0
88.02219	4.5
88.03953	1.1
98.02422	1.6
98.06111	1.4
99.04473	7.1
99.05589	2.9
100.02232	2.2
102.03766	26.5
103.02164	3.1
103.03940	14.0
105.00115	1.7
109.02892	3.9
112.07633	1.8
113.06035	2.1
114.03769	2.5
114.05529	1.8
115.08764	1.4
119.08620	1.4
119.50855	1.2
120.04803	5.2
120.08101	6.7
120.08849	1.1
124.07602	2.6
126.05517	20.2
126.06396	1.3
127.03918	7.0
129.10306	3.1
130.03215	1.0
130.06570	2.0
131.06387	10.9
132.04794	13.8
136.07617	3.8
141.06674	1.2
142.08690	3.5
146.02739	3.1
149.07442	47.6
150.05592	1.5
152.07034	1.4
154.08676	1.9
158.02788	1.7
158.09698	1.2
159.05904	1.7
159.09215	3.1
170.09583	1.1
175.05437	3.0
177.10248	2.0
180.06555	12.3
184.09723	2.5
186.09195	1.5
196.14159	1.7
197.07971	1.2
198.07661	3.0
198.09222	1.4
205.09769	2.1
211.08858	1.2
213.10252	2.4
214.08786	2.4
214.10690	2.4
215.11809	1.4
216.08743	2.7
219.61159	1.2
225.06772	1.2
228.12280	1.5
231.11626	4.6
235.10864	1.3
236.11232	2.5
240.08934	2.3
241.09650	6.1
242.08121	3.0
242.10194	8.6
243.11469	3.4
244.11653	5.9
253.09819	1.5
256.09427	1.5
256.11951	1.9
257.09558	1.3
259.10461	5.3
259.12964	2.9
260.11328	6.5
261.12845	3.3
275.10675	2.6
278.34247	1.0
281.09210	1.2
283.10797	2.3
284.08807	1.5
284.11563	2.1
286.12772	4.3
287.10028	1.2
293.11658	100.0
294.12140	1.2
299.10358	3.8
301.11917	3.0
302.12408	12.5
304.13559	1.9
317.13776	2.0
318.14163	7.9
319.13370	1.7
320.13467	1.5
327.09705	12.4
345.10898	8.0
345.14688	1.0
361.14713	1.4
361.19122	1.1
363.10556	5.5
387.12018	4.6
405.12521	20.3
405.17181	27.8
423.14008	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.01868	7.0
55.05514	16.8
57.03432	12.9
57.07087	4.3
59.04995	3.1
59.22132	2.4
61.02927	14.8
67.00526	2.6
67.05506	17.5
69.03435	33.4
69.07066	20.9
69.33330	18.8
71.04999	6.5
73.02920	9.1
77.03933	4.4
79.05489	13.3
81.03416	18.9
81.07056	35.4
82.09602	2.7
83.04963	5.5
83.08622	18.4
85.02906	100.0
85.06539	13.9
87.04477	6.3
88.94639	2.5
91.03953	5.2
91.05489	16.8
93.07037	25.0
95.04975	11.3
95.08605	40.1
95.26624	2.2
97.02898	36.3
97.06496	4.4
97.10177	6.4
99.04443	5.9
102.92004	2.2
105.07028	32.2
107.08588	39.1
109.02873	12.3
109.06517	4.2
109.10159	28.9
113.09647	30.4
115.05484	3.1
117.07014	11.5
119.08586	40.9
121.10144	38.9
123.04459	2.7
123.11712	18.1
125.09621	3.5
127.03920	20.4
129.06989	6.3
130.04961	4.0
131.08574	23.5
133.10132	71.4
135.11694	33.9
143.08548	5.0
144.09320	3.3
145.04994	18.7
145.10127	33.2
147.11703	24.0
149.13281	9.9
153.12790	2.8
155.08728	3.2
157.10054	6.6
158.10915	4.5
159.11697	37.6
161.13240	14.6
163.14809	3.3
171.11734	7.3
173.13266	49.9
175.14870	12.6
177.16393	5.0
185.13307	5.8
187.14835	36.2
189.16333	3.0
191.14380	4.2
191.17981	3.5
199.11136	3.0
199.14865	2.7
201.16388	17.9
203.17961	23.7
205.15977	6.8
243.21094	42.9
261.22192	45.4
273.22122	4.8
283.20435	2.6
285.21936	3.8
369.24188	3.4
387.25455	5.9
405.26697	5.4
423.23178	5.2
423.28067	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	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.0
56.05024	2.1
57.03425	1.3
59.89867	1.2
60.04531	1.6
61.02913	1.6
63.51459	1.0
67.05496	3.5
68.29557	1.1
69.03421	4.3
69.04319	1.0
69.07061	4.8
69.34727	8.2
70.06265	1.3
70.06599	16.2
71.04985	4.9
72.08146	5.8
73.02901	1.3
74.06073	1.2
76.02196	1.2
79.05477	2.1
81.03418	2.0
81.07051	1.8
83.04984	16.8
84.04496	3.8
84.08146	7.4
85.02914	8.7
85.06541	1.7
85.51770	1.1
86.09713	7.2
87.04453	1.0
89.30059	1.0
91.05476	2.2
93.03572	1.0
93.07042	4.8
95.04971	100.0
95.08616	1.9
97.02892	2.3
97.06551	2.8
98.13573	1.1
98.97564	1.6
99.04459	15.6
102.05557	3.1
102.12348	1.1
104.07098	3.1
105.07029	5.5
106.02953	2.4
107.08582	5.1
109.06522	3.4
109.10155	4.0
110.07198	1.5
113.06000	1.4
119.08604	5.6
120.08105	3.3
121.10113	4.4
123.08062	3.8
123.11713	1.3
124.03965	3.8
125.09643	4.1
127.03936	1.1
129.10245	2.5
131.08571	1.7
135.11732	1.8
136.07590	2.1
137.02332	3.3
137.09628	2.3
143.10622	1.2
145.04901	1.5
145.10100	1.3
147.11688	2.4
149.09642	12.7
153.09111	42.3
153.10361	2.1
155.10655	1.6
159.11594	1.7
161.13239	2.8
163.03922	1.9
165.12785	1.9
174.09181	2.5
177.12793	3.6
189.12727	2.3
195.13831	6.9
196.07544	1.7
207.13835	13.0
209.15366	1.5
213.10400	1.7
225.14870	74.8
227.11899	1.4
241.09669	5.3
243.11259	2.6
243.15907	2.2
255.11343	5.3
258.12497	1.8
259.10776	4.0
268.08124	3.6
283.10736	2.2
288.35406	1.1
301.11890	8.8
317.13864	2.0
349.02426	1.2
386.15439	1.3
404.12546	3.2
422.13766	9.0
422.22125	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.7
55.05510	10.3
57.03440	29.9
61.02933	3.0
67.05512	27.0
69.03430	11.5
69.07072	17.8
70.84902	5.6
71.04990	31.1
75.80005	2.3
77.84351	2.5
78.89685	2.7
79.05492	26.9
81.03411	5.3
81.07055	28.0
83.04971	10.6
83.08610	7.5
85.02910	17.7
85.06542	5.5
89.06023	2.6
91.05480	46.5
93.07040	47.8
95.04956	12.5
95.08608	47.0
97.02881	3.0
97.06545	26.2
99.08095	8.8
101.84744	2.5
105.07052	45.3
107.04951	11.6
107.08587	45.4
109.06523	27.5
109.10160	15.4
111.04499	2.7
111.08104	13.0
113.05965	4.2
113.09608	3.7
115.07576	14.9
117.07029	10.9
119.08590	34.9
121.06521	17.0
121.10165	8.9
123.08080	11.2
123.11641	3.3
129.07013	5.2
129.09096	2.9
131.08586	8.4
133.06499	10.5
133.10123	32.7
135.08070	19.4
135.11725	3.2
136.06190	13.7
137.09619	27.3
139.07558	16.3
141.09126	4.7
143.08601	4.6
145.10117	6.4
147.08064	9.3
147.11693	45.8
149.09656	6.9
151.11197	18.2
155.10693	16.8
157.08626	18.0
161.13274	30.7
165.09003	3.1
165.12776	5.4
171.11687	5.4
179.14342	9.8
187.11078	3.1
189.12746	33.7
207.13803	100.0
208.14154	3.5
225.14877	63.1
243.15971	21.1
333.94910	3.2
351.14383	3.8
351.66272	2.7
422.24213	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	422.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36123	0.2
55.05495	0.3
56.05037	3.1
57.03445	0.3
57.65305	0.3
60.02104	0.3
66.93478	0.3
67.05508	0.4
69.07058	0.5
70.44218	0.6
70.44582	0.6
74.06084	9.1
81.07060	0.3
86.09709	100.0
87.10052	0.4
91.05483	0.6
93.07040	0.3
97.02906	0.4
98.06058	1.1
99.05576	0.4
103.05447	0.4
116.07086	0.9
119.08602	0.4
120.08109	11.4
126.05522	5.2
139.12379	0.4
144.06589	0.8
166.08644	5.9
167.11774	0.3
187.14420	0.4
195.11285	2.6
211.14441	0.9
233.16513	0.4
239.13919	13.4
257.15051	0.5
264.26010	0.3
279.17050	10.1
360.19168	1.5
375.61182	0.3
388.22144	0.3
404.21927	0.4
422.25690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.0
55.01883	2.9
55.05511	15.9
56.05038	6.3
57.03430	8.1
58.99600	3.8
59.05003	3.8
67.05508	46.7
69.03437	20.5
69.07075	20.2
70.06595	26.4
71.04996	14.1
71.51646	4.9
72.08158	7.9
72.55678	2.3
79.05493	15.0
81.03410	10.0
81.07060	23.2
83.04984	12.0
83.08611	4.0
84.04520	9.3
84.08150	23.0
85.02917	30.8
85.58291	2.5
86.06058	5.1
86.09714	10.7
88.03979	3.6
91.05485	31.3
93.07050	92.1
95.04969	9.1
95.08621	28.9
97.02899	8.4
97.06532	10.7
99.04463	65.4
100.02202	4.0
101.06021	4.0
102.05560	9.9
105.07034	40.7
107.04911	3.1
107.08603	43.0
108.08137	23.8
109.02878	4.6
109.06501	18.7
109.10164	86.2
110.07154	4.2
111.08087	6.4
115.03936	3.9
117.07018	6.1
118.84896	2.7
119.04942	3.6
119.08589	90.8
120.08117	11.6
121.06516	8.7
121.10143	23.0
122.95208	2.9
123.08063	5.8
125.09623	20.6
127.03909	7.9
129.10223	6.3
130.04997	30.6
131.08571	8.1
133.10138	27.3
135.08069	3.8
135.11703	15.5
136.07521	4.7
137.09627	100.0
141.68784	2.9
142.08688	3.6
145.04974	7.2
145.10141	8.6
146.02689	6.1
147.08037	5.1
147.11703	11.0
149.09644	16.6
149.13271	5.7
150.12778	7.7
152.14362	43.9
153.09058	4.5
155.10683	70.4
155.11925	5.2
156.09309	4.3
159.11739	16.7
161.09604	4.7
161.13264	38.1
162.07695	3.4
163.11174	12.2
167.10669	8.7
171.11682	8.4
177.12735	29.3
179.14331	7.6
180.08690	3.5
181.12282	9.8
188.03726	3.2
189.12753	54.1
195.13817	43.2
198.09271	5.2
207.13835	55.9
213.10268	8.0
214.08803	2.9
215.11868	3.3
217.09816	3.1
225.14867	74.9
226.07155	3.7
227.11871	4.9
235.10753	3.6
241.09682	22.5
243.11345	12.0
255.11292	6.3
258.12497	7.2
259.10785	15.0
264.15912	6.9
281.18646	67.0
283.10870	9.4
285.12320	9.5
301.11847	30.4
317.13791	11.7
319.12918	4.7
362.11642	7.3
404.12527	14.8
422.13788	50.0
422.23456	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.03448	0.4
57.07084	14.7
63.46752	0.3
67.05508	2.2
69.07051	0.4
70.06599	0.4
71.04997	0.5
72.35087	0.2
76.70635	0.3
79.05501	1.6
81.03416	0.8
81.07060	1.6
83.08626	0.4
88.07669	0.4
90.70535	0.3
91.05486	1.9
91.94445	0.3
93.07053	1.7
95.04975	1.7
95.08596	1.2
97.06549	0.4
97.10187	0.4
97.59704	0.3
105.07026	1.3
107.04932	0.4
107.08580	0.9
109.06522	0.4
109.10146	0.8
109.86242	0.3
111.08063	0.7
117.07021	0.6
119.08582	1.1
121.06422	0.7
121.10126	0.7
123.08048	0.3
125.07118	1.8
126.04716	0.2
126.05493	1.9
127.03873	0.3
129.06996	0.8
130.60756	0.3
131.08578	1.0
133.10118	0.8
135.07939	0.3
135.11681	0.7
137.09653	0.5
137.37022	0.2
143.08566	0.3
145.10104	0.6
147.11719	0.3
149.02328	1.4
149.03413	0.3
149.13312	0.3
157.10109	0.6
159.11682	0.4
161.09669	0.3
163.11281	0.3
178.75420	0.3
191.11761	0.4
193.04990	1.5
193.12276	0.4
199.34708	0.3
204.67822	0.3
208.14508	0.9
209.12869	5.8
210.11316	0.5
218.12857	2.5
219.11287	1.2
256.26480	0.7
259.20758	0.4
260.15314	0.5
275.17551	3.9
292.20172	3.8
293.18616	5.3
302.18616	9.3
311.20081	0.4
314.88675	0.3
329.21048	1.7
332.99097	0.3
343.22635	0.7
358.24905	0.9
376.25961	100.0
377.26254	1.9
394.27151	2.2
403.24734	1.6
421.26022	3.0
421.31705	6.3
422.28821	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	422.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05512	1.8
56.05030	2.3
57.96690	1.1
58.99591	7.8
59.83525	0.8
61.01131	1.9
66.05425	0.9
67.05494	1.4
68.05002	0.9
69.03423	1.7
69.07067	2.5
70.05588	1.8
70.05991	2.4
70.06270	0.7
70.06593	14.6
71.06915	1.5
72.08147	2.8
74.06083	1.2
76.02228	13.4
77.96146	0.8
79.05497	2.2
80.43284	0.9
80.64426	0.9
81.03413	1.4
81.07057	1.3
82.06616	1.1
84.04515	6.0
84.08136	6.9
85.02892	2.6
86.06051	1.0
86.09716	5.2
86.99065	3.0
88.03999	1.9
91.05473	2.3
93.07031	2.7
94.06561	1.8
95.04951	1.5
95.06101	1.6
95.08602	1.1
96.04507	0.9
97.06528	1.8
98.21574	1.0
99.04449	1.4
100.02209	8.6
102.03763	1.2
102.05550	1.9
103.89129	0.8
105.00097	2.7
105.07011	2.8
107.08581	2.1
109.06514	2.3
109.10129	1.5
110.07160	1.2
112.08738	1.4
113.09000	0.9
114.02046	0.8
115.08727	1.2
116.07088	1.0
117.06950	1.1
119.04871	0.9
119.08575	3.5
120.08097	7.1
121.06519	1.1
121.08445	2.4
121.10142	1.8
122.06033	3.1
124.03990	2.3
127.04011	0.9
129.10281	2.6
130.04980	1.1
133.10149	1.0
134.05972	1.1
136.07591	2.4
137.02301	1.3
137.09627	1.2
142.03197	0.9
143.08600	0.8
144.08104	0.9
145.10156	1.2
146.02719	8.0
147.04416	1.0
147.11646	0.8
149.09610	2.3
152.01666	1.1
156.08046	1.1
161.13272	2.0
163.03941	0.9
163.11179	3.4
168.08122	1.0
170.09671	2.6
172.07594	4.1
174.09227	1.1
175.08638	6.6
177.12770	1.2
182.03279	0.9
182.09698	1.0
183.06805	1.7
184.07613	1.2
186.09232	2.9
187.12344	2.0
188.03816	5.5
188.10725	1.1
189.10269	2.8
189.12755	3.3
195.13794	2.5
196.07541	5.8
197.06960	0.9
198.09250	8.5
199.08611	1.7
200.07072	2.7
200.09309	1.2
206.10251	2.0
207.13802	5.4
210.09190	1.3
211.08681	2.1
212.09462	2.7
213.10254	18.3
214.08656	5.0
214.10910	1.0
215.08183	1.8
215.11789	9.4
216.10414	1.1
217.09686	6.5
224.07420	1.9
225.14920	3.1
226.07208	2.9
226.09009	1.4
227.08182	2.8
227.11777	5.5
227.17943	0.8
228.04970	1.0
229.09798	1.1
231.11359	1.8
235.10777	11.1
239.08163	2.3
240.08829	7.9
241.09721	49.7
242.08032	0.9
242.10536	2.2
243.11349	27.7
243.13683	1.9
254.06329	2.6
254.10448	4.0
255.11331	11.0
256.10953	2.8
257.12811	1.4
258.12402	18.3
259.10788	41.8
260.09128	1.0
268.08243	1.6
270.05923	0.9
271.09027	2.4
271.13226	3.9
273.06949	1.6
273.12347	2.6
275.08286	1.0
277.11771	1.3
282.10028	1.8
283.10776	13.3
285.12320	21.5
285.15228	1.6
286.09604	2.6
299.08569	6.1
300.11127	1.3
301.11835	49.7
303.13379	5.8
316.10950	1.8
317.09940	2.0
317.13696	34.4
318.12616	6.6
319.12875	9.6
333.09152	1.2
360.13733	3.6
362.11642	12.4
376.18524	1.1
378.14746	2.3
380.81754	0.9
404.12741	32.9
422.13834	100.0
422.21747	6.2
423.13791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.3
56.05021	4.3
57.05815	0.9
61.01152	5.7
67.05492	0.8
68.05021	8.9
70.06578	3.6
70.43097	0.8
71.52113	1.3
72.08160	100.0
74.60459	0.8
81.03431	1.8
84.04501	2.9
84.08128	1.3
85.02898	1.7
86.09704	2.6
88.03964	1.1
96.04484	2.6
102.05518	1.2
104.05334	6.8
104.45865	0.9
113.07139	61.6
120.08051	1.5
123.04427	8.8
123.05539	9.3
124.03926	2.7
130.05022	1.1
133.02841	7.2
134.04478	1.9
135.04419	1.3
141.06569	1.2
143.08200	1.1
151.03911	3.6
158.09947	1.5
161.07455	16.3
179.03410	88.4
180.03699	1.8
189.06931	32.7
203.12103	1.9
205.06090	2.4
213.12369	1.7
233.11333	33.3
243.11662	4.1
255.09734	6.6
256.08176	2.9
276.83762	0.9
288.13843	6.1
341.08734	1.0
403.15030	2.9
421.04364	2.1
421.16492	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
52.12203	1.8
53.03941	5.7
55.01865	9.5
55.05521	21.8
57.03447	10.9
67.05511	62.5
68.22807	2.2
69.03428	9.0
69.07079	16.5
69.35702	18.4
71.05006	5.7
79.05506	36.8
81.03430	19.6
81.07063	34.9
83.05005	5.1
83.08607	14.7
85.02934	5.2
85.06540	4.6
91.05489	47.1
93.07058	35.1
95.04982	57.2
95.08620	29.6
97.02884	6.3
97.06534	6.9
97.10175	15.2
105.07044	31.7
107.04959	26.0
107.08601	16.3
109.06522	6.6
109.10146	30.5
111.08099	4.2
112.54005	2.1
115.05491	2.0
115.51760	2.5
117.07029	14.8
119.08591	25.0
121.06509	18.8
121.10152	11.3
123.04462	2.9
123.08080	9.3
125.05959	2.2
125.09657	7.5
129.07031	14.3
131.04875	2.1
131.08571	18.8
132.01413	2.1
133.06552	5.1
133.10091	13.4
135.08078	8.4
135.11746	5.9
137.09630	9.0
141.07045	6.4
142.07834	4.1
143.08566	11.1
145.06514	4.2
145.10168	12.6
147.08087	8.4
147.11655	4.0
147.34485	2.4
149.09691	5.6
155.08585	4.7
157.06538	4.1
157.10159	10.5
159.08072	4.0
159.11751	9.8
161.06004	2.7
161.09647	7.8
163.11244	8.0
167.08633	3.0
169.10170	5.1
171.08110	3.7
171.11700	5.6
173.09653	3.8
173.11777	4.8
175.11266	8.3
177.12814	5.2
183.11845	2.9
185.09697	5.4
185.13284	2.6
187.11189	4.7
189.09178	5.4
189.11270	6.8
193.12276	10.7
194.83580	2.3
195.11732	4.4
197.13428	3.9
199.11180	7.1
199.77013	2.2
203.10789	5.2
205.12263	4.3
213.12767	3.0
219.13989	3.0
223.13393	5.3
231.13904	4.7
233.15382	3.2
249.14871	5.0
293.19003	3.3
301.21573	5.4
311.20166	14.6
329.21130	81.1
340.15390	11.4
347.22055	13.5
385.23734	3.6
403.24844	61.8
403.29813	4.6
421.18054	5.6
421.25928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01873	4.7
55.05517	8.7
57.03440	9.8
57.07079	34.7
67.05508	12.1
69.03432	1.9
69.07079	10.7
69.30124	5.9
69.30528	1.2
71.04996	1.1
71.08631	0.7
79.05495	9.9
81.07060	24.3
83.04996	2.2
83.08618	4.9
83.57655	0.9
84.35748	0.7
85.06551	15.7
85.15458	0.7
85.86842	0.8
91.05480	7.6
93.07049	11.7
95.04984	2.9
95.08614	15.2
97.06531	5.2
99.08099	0.9
105.07040	8.7
107.08601	14.5
109.06516	15.5
109.10173	7.4
111.04437	2.4
111.08085	4.0
117.07032	1.8
119.08572	8.3
120.10372	0.7
121.06503	1.8
121.10170	8.4
123.08070	11.7
123.11707	2.6
125.06008	2.6
125.09706	1.8
128.06238	0.8
131.08589	2.2
133.10144	5.3
135.08073	14.5
135.11697	5.7
137.05984	21.1
137.09634	2.1
139.07556	2.3
143.08611	1.5
145.10152	3.2
147.08040	1.7
147.11676	3.8
147.63556	0.8
149.09607	4.4
149.13283	2.7
151.07542	7.0
151.11211	2.9
153.12773	2.5
157.10165	1.8
159.11745	2.7
161.09653	2.5
161.13275	2.2
163.11191	1.3
163.14864	1.2
165.09158	1.7
165.12756	6.5
167.14362	1.1
171.11705	0.8
175.11250	2.1
175.73203	0.8
177.09251	1.2
177.12723	5.1
179.10637	1.2
179.14307	4.6
181.12204	1.1
189.12793	1.0
191.14400	3.0
193.12314	2.7
195.13913	1.6
203.18044	1.1
207.13791	9.8
221.12282	0.8
233.19029	2.8
263.20023	4.4
275.19934	0.9
277.18027	1.7
301.25305	1.7
305.24820	1.8
319.26343	12.9
329.21335	1.7
329.24860	3.3
332.36389	0.8
337.27423	5.7
347.25833	100.0
348.26251	1.1
365.26871	19.8
379.94070	0.8
393.29968	11.5
403.24161	1.2
403.28687	2.6
421.29572	79.2
422.29724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01879	0.8
55.05532	1.1
56.17312	0.4
65.03969	0.8
67.05511	2.0
69.56532	2.2
70.03001	0.4
70.06590	1.7
71.05016	0.5
72.08157	1.9
79.05486	1.7
80.05027	0.6
81.03419	1.9
81.07059	2.6
82.02936	0.4
83.08615	0.9
84.08151	0.9
85.02901	0.6
91.05490	3.5
93.05769	0.6
93.07015	3.1
94.06561	0.9
95.04968	1.7
95.08621	1.5
96.08162	1.1
97.06504	1.1
98.98495	1.0
105.07041	1.7
107.04973	1.0
107.08591	1.2
108.04465	0.5
108.08109	1.3
109.06568	0.6
109.10152	0.9
115.05431	1.0
117.07062	0.4
119.03605	0.4
119.08624	0.7
120.08112	0.5
121.06570	0.5
121.10159	0.6
122.06037	4.1
124.06725	0.8
124.07597	10.0
125.09536	0.6
126.05527	1.1
129.07027	0.6
133.10133	0.5
136.07581	100.0
137.05966	1.6
137.07913	0.5
138.09145	1.0
140.07069	0.8
145.10126	0.8
147.11653	0.9
147.88910	0.5
152.07068	26.8
153.07086	0.5
155.01050	1.1
161.05994	1.9
164.07069	96.5
165.07298	0.6
166.08624	1.6
175.11130	0.6
182.08125	1.3
193.12225	0.9
199.07524	1.0
231.07999	1.1
249.14948	0.6
259.07388	0.6
263.10440	0.5
265.08286	0.5
267.15875	1.8
268.08084	0.6
280.08185	1.6
286.09183	1.4
287.10919	0.5
287.13882	14.0
291.10092	2.4
292.10562	0.6
298.09216	6.9
305.11658	0.6
305.14917	0.8
323.12772	1.1
357.10574	0.7
367.22629	0.7
385.23538	1.9
403.15015	1.8
403.24902	0.6
421.15872	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.01895	0.5
55.05516	1.1
62.65925	0.5
67.05504	1.8
69.03442	0.9
69.07082	0.9
69.56123	1.8
69.56554	1.5
70.06606	1.2
72.08162	1.9
77.03960	0.6
79.05502	2.1
81.03423	1.7
81.07060	2.8
83.08652	0.8
84.08158	1.1
85.02921	0.8
86.09716	1.1
91.05488	4.6
93.07052	2.9
94.06581	0.8
95.04987	1.6
95.08618	0.8
96.08141	0.7
97.02912	0.6
97.06553	1.1
98.98484	1.2
105.07043	1.2
107.04958	1.0
107.08604	0.5
108.04548	0.6
108.08132	1.7
109.06522	0.8
109.10147	0.5
111.77718	0.4
119.08604	0.5
120.08091	0.7
121.06494	0.6
121.10183	0.5
122.06039	4.0
124.07600	10.5
125.09600	0.6
126.05515	0.9
129.10275	0.6
131.08565	0.6
133.06470	0.9
133.10135	0.5
136.07588	100.0
137.06012	2.0
137.07959	0.7
138.09167	0.7
140.07074	0.9
147.11707	0.8
150.05568	0.6
152.07074	24.4
157.10109	0.7
161.05989	1.2
164.07079	99.1
165.07391	0.7
166.08667	1.8
168.91237	0.4
170.08159	0.7
175.11258	0.6
182.08170	0.9
193.12248	0.9
199.07536	1.2
231.08023	0.8
248.08459	0.6
249.15038	0.5
259.07617	0.8
267.15906	1.1
268.08020	0.5
280.08209	1.1
286.09283	1.5
287.13916	13.5
291.10098	2.4
298.09244	6.8
305.11279	0.7
323.12842	0.6
357.10764	0.7
367.22861	0.6
385.23639	1.4
403.14996	1.9
403.24677	0.7
421.15814	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82162	1.6
53.03944	2.1
55.01869	2.5
55.05505	4.8
57.03443	1.8
59.43273	1.3
61.01138	2.3
61.02945	2.1
67.05502	4.2
69.03431	5.4
69.07079	2.8
69.19701	6.4
69.20136	6.8
70.06599	63.2
71.04983	2.0
71.06933	3.3
72.08147	10.9
79.05498	7.0
81.03413	4.4
81.07057	8.2
83.05003	7.1
83.08627	2.9
84.04510	6.4
84.08148	14.5
85.02912	11.3
86.09692	8.1
91.05469	6.5
93.07046	23.0
95.04952	2.6
95.08612	9.1
97.02895	3.2
97.06538	2.6
99.08080	4.7
100.66823	1.5
102.05563	1.6
105.03349	1.7
105.07025	6.2
107.04977	2.8
107.08572	15.0
109.06519	5.4
109.10140	2.4
111.04470	3.6
111.08080	7.6
118.06870	12.3
119.08578	6.2
120.08122	3.0
121.06470	8.0
121.10144	9.5
123.08081	5.8
125.05994	2.4
127.03925	3.0
129.10223	8.2
130.06522	4.8
131.08588	2.3
132.08104	3.2
133.10118	5.3
135.08035	6.4
135.11703	26.0
136.06183	1.9
136.07594	4.1
137.09622	46.7
139.07584	3.2
145.04985	2.2
145.10138	2.3
147.11693	1.5
148.34944	1.3
149.05974	1.9
149.13271	10.5
153.05496	4.4
159.09175	10.7
159.11702	12.5
161.05937	2.4
163.07568	2.5
163.08955	2.1
163.11160	4.7
167.06999	2.7
177.12758	66.5
181.08635	13.2
183.14914	3.3
185.08037	1.5
187.11081	1.7
195.13823	100.0
205.12186	8.1
208.38611	1.7
223.13304	71.5
223.24408	1.4
241.14363	22.8
266.14096	3.0
274.12167	3.1
303.85251	1.5
316.09009	3.1
331.11502	3.2
402.20642	1.9
420.22391	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05518	2.7
55.43702	0.5
56.05042	3.0
67.05509	7.9
68.05021	1.8
69.07076	2.7
70.06597	53.5
70.57447	1.2
70.57815	1.0
72.08141	1.1
79.05495	6.8
79.27458	0.5
81.06594	0.6
81.07054	6.8
82.75854	0.5
83.04968	0.5
83.08607	1.1
86.06071	10.0
91.05486	3.5
93.07050	8.5
95.08616	5.5
96.08134	2.8
98.06035	1.3
107.08587	2.8
109.10137	1.5
114.05537	25.3
114.09173	29.7
119.08578	2.1
121.10142	3.3
131.08554	0.9
133.10123	0.9
135.11693	1.2
140.47670	0.5
142.08643	61.5
145.10202	0.8
148.69653	0.5
160.09702	87.9
171.11908	0.6
319.26425	2.1
370.11545	0.5
374.30560	1.8
420.31113	100.0
421.31293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28479	1.9
56.96565	3.8
65.05605	1.7
66.40210	1.7
67.35704	1.9
69.03450	3.2
69.32429	15.3
72.08153	2.1
84.15407	2.0
85.02897	6.0
86.33875	1.8
94.93025	48.8
98.97591	4.4
116.98626	2.2
119.01929	3.5
127.03928	2.9
128.98637	2.0
135.04422	3.0
136.94031	2.6
138.93861	9.2
143.01849	2.0
145.03487	2.4
150.93872	3.2
157.70560	1.9
163.03900	12.6
168.94949	5.6
169.03500	2.4
177.02437	2.9
187.04584	3.2
198.95917	3.2
203.00414	2.4
206.88562	14.2
219.03465	2.1
228.03888	2.3
248.89677	100.0
257.47903	2.2
268.06683	2.0
378.85806	1.9
404.71558	1.9
420.87366	8.5
421.03827	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.0
61.02936	3.0
69.03414	2.1
69.36324	8.8
69.36760	7.5
82.80448	2.1
84.43434	2.0
85.02899	7.8
94.93023	19.7
98.97594	4.3
101.00820	2.2
108.32837	1.8
119.01938	2.5
127.03918	4.1
128.98595	3.8
136.94083	4.0
138.93854	16.5
141.75661	1.9
148.92369	2.3
150.91867	2.0
150.93817	6.0
168.01788	2.7
168.94899	6.4
185.06548	2.4
191.04060	2.2
198.95886	2.1
206.88680	9.4
228.03801	3.4
232.99742	4.0
243.49887	2.4
248.89688	52.3
258.98087	2.5
420.86963	5.5
421.03812	100.0
421.12991	3.7
437.56400	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34724	1.0
55.05516	1.1
65.03929	1.4
67.05519	5.0
69.03428	2.2
69.07047	2.2
70.06599	1.2
70.58834	1.8
71.05004	2.4
72.08157	1.3
79.05502	9.1
81.03422	1.9
81.07068	7.3
84.08164	1.2
85.02908	1.9
85.06539	1.3
86.09708	1.1
87.00843	1.0
91.05497	7.2
93.07050	3.1
94.04205	3.3
95.04980	1.5
95.08603	5.1
95.60736	1.0
97.02925	2.5
97.06547	2.1
97.10172	1.1
98.21458	1.3
103.05482	6.8
105.07039	27.7
107.04953	2.6
107.08578	6.6
109.06537	3.3
109.10159	3.1
115.05454	9.5
117.07027	2.1
118.04201	2.4
119.08604	2.8
121.06474	1.9
121.10171	4.0
122.03654	6.7
122.07327	0.8
127.03919	2.9
128.06244	3.5
129.07001	1.0
131.04933	6.3
131.08539	1.9
132.05649	1.1
133.06508	19.2
133.10146	21.7
135.08018	2.1
135.11714	2.2
136.57361	0.9
137.05984	76.5
137.09610	13.0
139.05504	1.1
141.06972	1.5
143.04936	0.9
143.06033	2.0
143.08586	1.0
145.06474	1.2
145.10126	1.6
146.03604	3.7
147.04453	1.9
147.08070	1.3
148.05188	1.6
149.06059	1.9
149.13283	3.0
151.11163	1.0
156.05753	2.8
159.08104	1.8
159.11739	1.1
160.05229	1.0
161.05991	72.0
163.07581	3.0
163.14853	1.2
165.07195	0.9
167.04919	1.3
167.08463	0.9
171.08080	3.5
171.11748	1.4
173.13293	1.6
175.07536	4.6
177.05397	1.2
184.05223	5.4
187.07686	1.5
189.06998	1.6
190.07829	1.1
191.08627	2.2
191.14333	11.5
192.09346	2.0
199.07556	44.8
202.07774	14.0
202.15860	1.0
203.08557	22.5
204.09230	1.3
205.06506	1.4
211.13223	1.1
215.08565	1.2
219.08064	9.6
220.08876	6.5
221.09654	1.1
230.07118	2.1
231.08075	39.4
232.08852	7.9
232.30423	0.9
233.06094	1.3
233.18941	1.7
235.07541	1.1
235.11259	2.7
247.07513	6.8
248.08359	19.2
249.09100	2.1
251.10831	0.9
251.20161	3.5
258.06775	3.4
259.07565	28.3
259.10315	1.8
260.08362	21.0
261.09082	1.7
262.10001	1.8
263.10690	17.3
265.08768	1.9
275.07028	3.0
276.07797	14.9
277.08612	6.0
291.10168	100.0
292.10809	5.3
293.08093	2.7
295.13327	4.8
308.10367	3.5
323.12796	44.8
349.77615	1.1
421.22391	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36339	1.8
53.03950	2.2
55.01872	2.4
55.05505	4.1
56.96533	1.8
57.03436	10.2
59.04984	4.4
60.04518	2.6
61.02916	7.3
67.05499	3.2
69.03426	14.8
69.07050	4.3
70.06574	9.0
71.04974	2.7
71.31174	3.4
72.08139	7.6
73.02919	23.6
79.05478	5.2
81.03424	47.7
81.07051	7.9
82.03748	9.0
83.04974	7.2
84.04500	5.6
84.08125	8.8
85.02907	29.1
85.06516	2.0
86.09711	23.5
87.04493	2.8
87.10026	3.7
88.03986	2.8
91.03962	2.6
91.05482	59.3
92.05798	4.4
93.07032	17.6
94.07355	2.4
95.04963	7.5
95.08615	17.9
97.02386	2.3
97.02898	24.9
97.06516	3.3
98.97594	2.1
99.04461	5.1
103.05492	3.1
105.07005	7.4
107.04925	5.4
107.08583	8.8
109.06523	20.1
109.10152	3.3
111.08075	3.5
115.03935	13.9
119.08574	12.1
120.08881	2.1
121.06509	100.0
121.10144	8.3
123.04409	9.2
123.08073	6.5
125.05979	4.1
127.03875	5.6
129.10228	2.7
131.08504	3.8
133.04979	4.1
133.06517	2.7
133.10123	5.7
135.08063	3.7
135.11705	5.0
136.07584	4.0
137.09570	6.1
139.07532	5.1
144.10252	2.3
145.04939	6.7
145.10022	2.6
147.08073	6.9
147.11613	2.4
148.08255	1.9
149.05852	2.7
149.09593	9.3
151.11168	2.2
159.11664	4.6
161.09612	15.7
163.07472	2.3
163.11203	4.9
165.09119	17.3
166.09450	10.0
167.07114	2.6
167.10664	4.1
175.11218	4.0
177.12767	21.8
179.09114	3.9
179.10672	59.2
193.12241	21.1
203.09944	2.1
205.12265	29.8
211.13297	2.6
217.08546	3.0
223.13298	86.9
235.09517	2.1
239.12732	4.0
240.13002	4.5
241.14362	33.3
253.10600	3.1
258.14148	3.3
324.61548	3.4
376.66397	2.0
385.16074	4.0
420.15512	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32063	1.4
53.03942	2.2
55.05499	4.9
56.05035	3.1
57.03439	2.1
61.01136	4.0
63.95755	1.5
67.05498	4.9
69.03423	4.7
69.07063	4.8
70.06599	87.8
71.04992	2.5
71.06925	3.7
71.52454	2.4
72.08160	17.9
77.62128	1.6
79.05477	6.4
81.03413	4.1
81.07053	11.1
83.04971	6.9
84.04506	9.3
84.08149	20.4
85.02913	13.9
86.09708	14.9
88.03990	2.3
91.05487	7.2
93.07046	29.5
95.04964	5.2
95.08596	9.1
97.02898	3.4
97.06538	1.8
99.04495	2.5
99.08080	3.5
102.05540	4.9
105.07027	7.2
107.08588	14.9
109.02891	1.8
109.06503	5.9
109.10157	3.9
111.04413	4.1
111.08083	7.7
112.17865	2.0
114.09179	3.3
115.82664	1.7
116.07076	4.8
117.06981	2.5
118.06886	11.5
119.08567	9.4
120.08114	6.1
121.06503	6.0
121.10139	7.0
123.08065	7.4
126.10075	1.7
129.10242	14.2
130.06520	4.6
131.04912	1.7
131.08560	4.1
132.08092	4.6
133.06458	2.0
133.10106	6.3
134.71602	1.5
135.04384	1.9
135.08051	7.8
135.11693	24.7
136.06186	3.6
136.07578	7.2
137.09628	46.0
139.07535	5.1
145.10101	2.4
149.05957	3.9
149.13287	6.3
153.05447	2.9
159.08020	1.9
159.09177	10.1
159.11693	12.5
163.07542	4.9
163.08922	2.5
163.11206	5.2
167.07014	4.4
167.27956	1.8
177.12752	58.2
179.10741	2.3
181.08636	14.4
183.14951	4.7
187.11288	2.4
195.13821	100.0
205.12228	7.2
223.13300	73.8
236.72455	1.6
241.14326	23.5
266.14108	5.2
274.12125	4.0
316.08740	4.4
330.18430	1.8
331.11237	4.4
373.18994	2.9
384.18661	2.7
420.15869	2.2
420.21994	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3525
Annotation	20alpha,22beta-Dihydroxycholesterol
Peak:m/z	Relative Intensity
54.16703	1.8
55.01865	1.5
55.05506	13.3
57.03430	4.1
57.07061	4.3
65.03928	2.7
67.05187	2.0
67.05510	23.4
69.03439	2.6
69.07069	20.3
70.06593	5.5
70.48359	1.4
70.49663	4.0
70.50005	2.1
71.05000	2.8
79.05075	2.0
79.05499	24.6
81.03439	8.0
81.07066	100.0
83.04990	2.0
83.08620	6.5
84.08185	1.9
85.02898	2.1
85.06561	9.3
91.05487	63.0
93.07050	32.4
95.04964	4.8
95.08614	40.1
97.02881	2.1
97.06552	4.0
97.10165	5.5
99.07503	3.1
99.08100	46.9
105.07030	25.9
106.38659	1.8
107.04943	2.6
107.08604	30.4
109.06528	1.9
109.10162	32.4
111.08092	2.2
113.09680	13.0
117.07007	5.0
119.04940	9.0
119.08596	25.0
121.06493	3.0
121.10152	32.6
123.08092	3.6
123.11730	12.2
123.91787	1.6
125.09636	2.9
127.03970	2.7
127.11200	13.1
129.07011	3.5
131.08585	7.9
133.10147	21.2
135.11702	26.9
137.13284	3.9
142.95001	1.6
143.08546	2.3
145.06435	1.7
145.10120	13.7
147.11691	26.7
149.06015	3.7
149.13283	14.2
151.11185	2.5
157.10132	3.8
159.11705	16.6
161.09631	2.0
161.11992	3.3
161.13269	44.8
163.11186	2.4
163.14836	5.9
165.09160	1.5
167.07074	7.6
171.11676	3.8
173.02303	2.2
173.13249	7.5
175.14819	10.4
177.16432	4.7
180.30093	1.6
185.13277	3.5
187.14824	7.4
189.16412	5.4
195.17445	4.0
199.14835	1.8
201.16437	8.3
203.17984	5.5
213.16487	3.3
215.17938	7.5
216.18130	2.3
227.17999	2.2
241.19525	4.7
255.21097	16.6
257.18997	1.9
257.19928	2.2
257.22568	17.2
259.20706	3.8
271.24182	1.6
273.22156	55.0
275.23489	2.0
283.24164	1.7
285.25833	8.9
289.25467	2.1
327.19449	1.9
335.09076	2.0
343.04117	1.7
365.31958	2.0
383.33167	13.1
401.34164	94.3
402.34378	2.4
419.11545	2.6
419.24054	9.9
419.35159	46.5
441.43274	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	0.4
55.05508	0.6
57.03430	0.3
57.07080	1.7
61.02921	0.7
67.05507	3.5
69.03429	2.2
69.07072	2.5
70.70171	0.5
73.02907	0.5
78.25158	0.3
79.05497	6.1
81.03428	1.6
81.07059	100.0
82.07423	0.5
85.02914	6.2
87.00830	3.0
93.07035	0.8
95.08610	15.3
97.02892	5.1
99.04443	1.4
105.01871	6.4
107.08580	0.4
108.04462	0.4
109.02895	1.6
109.10148	1.2
110.84885	0.3
122.56030	0.3
127.03922	7.4
129.01900	0.4
137.13257	20.9
145.04962	4.9
154.15891	0.7
159.02939	1.3
170.49988	0.3
213.03844	0.5
231.05064	2.7
248.07611	0.5
249.06198	1.2
263.65762	0.3
284.09927	1.0
351.53650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10946	0.4
53.03946	1.1
55.01876	0.8
55.05508	1.2
55.72963	0.4
57.03445	0.4
57.07082	2.2
60.74569	0.4
61.02928	0.5
67.05517	3.8
69.03442	2.6
69.07072	3.6
71.52551	0.6
73.02910	0.8
75.88403	0.4
79.05499	8.1
81.03431	1.8
81.07061	100.0
82.07372	0.5
85.02915	6.4
87.00844	3.1
93.07050	1.1
95.05004	0.5
95.08613	19.6
97.02901	5.1
99.04462	1.3
105.01878	6.8
109.02893	1.7
109.10155	1.5
111.52587	0.4
127.03928	8.6
137.12195	1.0
137.13266	20.7
145.04953	5.6
159.02939	1.6
173.27934	0.4
221.52632	0.4
231.04987	2.6
249.06137	2.3
284.09961	0.5
356.26495	0.5
379.64780	0.4
420.24380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.1
67.05508	3.8
69.16910	4.1
69.17316	13.8
70.06587	2.9
71.04985	2.7
79.05482	7.6
81.03413	7.4
81.07044	3.3
85.02895	6.4
86.09739	2.3
89.59429	1.8
91.05481	7.0
93.07036	4.6
95.04975	4.2
97.02875	2.9
97.06538	2.9
98.41134	2.1
103.05460	5.7
105.07035	4.4
107.04958	12.1
107.08577	2.9
109.10164	4.2
115.05482	2.8
117.07084	2.1
119.08593	3.8
121.06503	2.9
123.04446	5.1
124.05241	2.6
127.03903	3.3
129.06975	5.0
131.04951	3.1
131.08588	4.8
135.11720	2.2
141.07072	3.5
144.05704	2.6
145.06425	4.3
155.10718	3.2
156.05711	2.8
157.06451	2.5
159.08067	7.9
161.05934	3.5
163.03912	7.4
163.07553	4.5
167.07045	51.2
170.07314	2.4
173.02397	6.1
173.06023	7.7
177.05510	4.8
181.05051	10.3
181.06372	2.1
183.06573	4.2
187.07521	7.9
190.06288	4.4
191.07039	17.1
201.05466	2.3
205.08614	8.8
208.05246	13.3
209.08046	4.5
215.07065	6.4
217.08572	13.2
219.08133	2.3
219.10228	4.5
221.05994	3.0
221.08018	2.6
231.10254	2.8
236.04713	4.6
247.07472	2.7
247.09758	11.1
248.08330	3.3
249.11214	16.5
254.05803	7.2
263.10788	3.9
264.07837	2.5
269.08020	15.6
277.08450	3.1
279.10159	3.6
282.08664	4.0
283.09552	2.6
291.10260	4.7
293.08353	2.8
307.09720	4.6
308.10406	2.3
309.11163	2.2
315.08640	67.0
323.09216	2.5
323.12814	3.9
330.10999	100.0
331.11783	4.2
339.12161	3.7
343.11700	8.0
351.12335	9.5
352.13211	2.5
369.13412	5.3
371.14868	3.1
383.14859	16.7
401.15967	13.4
419.17136	4.0
426.67014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2429
Annotation	CHEBI:69184
Peak:m/z	Relative Intensity
53.03939	5.5
55.01872	3.6
55.05523	14.9
57.03445	10.0
62.44958	2.8
65.03968	4.2
65.89041	3.4
66.87976	3.0
67.05508	45.6
69.07064	17.8
70.06604	4.9
71.05019	4.4
71.53346	5.0
75.77254	3.0
79.05500	37.1
81.03421	83.7
81.07073	31.3
83.04995	9.1
83.08624	4.0
85.02940	4.9
85.06577	4.2
91.05494	40.6
93.07056	34.0
95.04969	21.6
95.08591	17.8
97.06553	14.9
103.05488	3.1
105.07030	22.3
107.04999	8.7
107.08598	20.8
109.06561	6.7
109.10159	8.6
115.05506	4.1
117.07030	18.6
119.08584	25.3
121.06538	14.2
121.10195	10.7
129.07025	11.7
131.08612	13.7
133.06529	8.7
133.10178	4.6
135.08131	3.5
135.11691	27.3
137.09608	18.6
138.00253	3.2
142.07869	4.3
143.07066	5.3
143.08592	8.4
145.06528	5.2
145.10167	14.3
147.08076	8.6
147.11694	4.5
149.09689	6.5
157.10196	9.2
159.08057	5.4
159.11702	7.6
163.11226	7.9
165.09105	26.3
168.11534	3.7
169.10201	6.3
175.11258	5.5
176.52492	3.4
177.09186	5.5
181.12222	3.9
183.11751	4.4
185.09676	3.4
185.13249	4.6
201.12910	3.9
229.12317	3.4
273.22079	4.1
299.20145	6.1
301.18433	5.2
309.18552	7.2
327.19571	35.4
345.20752	5.4
375.21457	5.7
401.23172	18.8
418.92139	3.6
419.24280	100.0
419.29477	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
55.05503	2.1
69.03432	2.1
69.62145	9.8
70.06580	7.3
72.69885	1.5
78.32044	1.7
79.05493	7.9
81.03426	4.3
81.07050	1.8
83.52932	1.7
85.02934	2.9
86.09703	2.1
91.05473	5.5
93.07013	2.8
95.08598	3.7
98.21542	2.2
107.04951	13.0
117.07021	3.0
121.06534	1.7
124.05216	2.9
129.07013	3.3
131.08571	5.3
135.11681	2.1
137.05949	2.1
141.06999	3.6
145.06540	4.8
152.04681	2.7
156.05692	2.6
159.08072	4.5
161.05957	3.5
163.03882	3.2
167.07042	41.3
168.07388	2.3
173.06023	5.1
181.04968	2.9
187.07552	6.9
202.06302	1.9
204.09619	1.7
205.08569	7.5
207.06448	2.7
208.05249	14.7
210.06766	2.3
215.07022	2.9
217.08655	15.9
219.08041	4.4
219.10101	2.0
231.08047	2.9
236.04669	6.1
247.07433	3.8
247.09695	7.5
248.08319	4.0
254.05782	6.4
257.12854	2.8
261.09323	2.3
263.10568	2.9
267.06833	3.2
269.08054	15.1
271.06021	2.0
271.09659	3.2
272.06696	3.5
276.08160	2.9
276.53287	1.9
277.08429	2.1
282.05389	2.2
282.08890	5.3
287.09149	4.1
291.10074	3.5
293.08148	4.3
307.09579	4.4
310.08350	2.3
311.30911	1.8
315.08627	79.0
319.09708	3.9
321.07419	2.1
323.12524	3.1
330.10977	100.0
331.11804	5.0
336.10080	2.2
337.10571	2.1
339.12509	3.0
343.11710	10.6
351.12195	9.7
368.12338	2.6
369.13156	4.7
383.14838	14.4
401.16107	9.9
419.12421	2.9
419.17883	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	419.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01882	6.1
55.05494	2.3
57.03437	4.6
65.03946	3.6
65.24354	2.4
67.05521	8.7
69.03431	6.4
69.07056	5.9
69.19903	11.7
69.20327	11.4
70.06593	11.4
71.04984	5.2
79.05510	14.6
81.03439	15.5
81.07066	11.1
84.08168	4.3
85.02889	3.7
85.43764	2.5
91.05495	20.4
93.07073	8.8
95.04968	6.3
95.08609	10.5
97.02901	4.6
97.06545	5.8
103.05464	5.1
105.07034	12.7
107.04967	15.7
107.08640	4.6
109.02863	4.2
109.10200	5.6
115.05458	6.0
117.07044	7.2
119.08568	11.8
121.06504	5.0
121.10146	4.3
123.04439	5.9
125.09679	2.6
128.06204	4.7
129.07036	7.1
131.04953	6.1
131.08580	6.8
133.02869	7.7
133.06461	2.7
133.10141	3.7
135.04451	4.6
135.11688	4.8
137.09644	5.8
141.06984	4.7
145.06508	8.6
147.08099	6.1
148.08882	3.1
149.09660	4.2
152.04735	2.9
153.07056	2.9
155.08470	2.4
156.05751	4.4
157.06503	4.3
159.04428	9.0
159.08075	8.2
159.09303	2.5
161.02365	12.9
161.05966	3.7
161.13271	2.7
163.03888	22.1
165.07018	3.3
165.09128	5.8
167.07062	62.9
168.07401	8.7
169.06392	3.5
169.07640	3.9
173.02353	46.9
173.06033	8.8
177.05484	9.4
181.04990	11.3
182.05357	3.6
183.08049	5.3
184.05229	3.4
187.03938	7.1
187.07593	7.1
189.05598	3.1
190.06200	4.7
191.03355	3.2
191.07004	6.1
191.08604	3.2
199.03897	3.4
201.05566	7.0
205.04884	5.7
205.08594	11.7
208.05191	12.9
209.08110	3.0
213.05562	6.8
215.07043	47.7
217.08672	16.8
219.08038	3.6
221.05946	3.3
225.05467	3.2
235.09680	4.6
236.04695	7.0
239.10670	5.0
247.07454	2.7
247.09731	11.6
248.08456	3.8
249.05559	3.0
254.05798	8.1
257.08035	6.0
262.09998	2.5
267.06577	4.6
269.08090	18.7
277.05118	3.0
282.05399	4.4
282.08777	7.4
283.09729	3.5
287.09143	3.4
291.10135	5.4
309.11218	7.0
315.08679	71.7
323.12976	5.0
327.12518	6.5
328.09384	4.5
330.11020	100.0
331.11542	9.7
339.12289	4.3
343.11829	6.2
351.12247	14.3
369.13446	9.1
383.14948	19.1
401.16098	22.6
419.11237	10.9
419.16397	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	419.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46843	3.8
55.01862	11.8
56.05037	4.5
56.96566	44.2
57.03430	18.7
58.99872	4.1
61.02936	25.1
65.95636	3.9
69.03433	39.9
70.06591	6.0
70.39245	4.1
70.98117	17.4
71.04974	5.9
71.51222	6.0
71.51629	4.3
72.08157	10.2
73.02910	24.8
75.53774	4.1
81.03429	9.5
84.08137	16.7
84.96021	8.4
85.02911	100.0
86.09688	8.3
88.99147	5.9
91.03961	6.7
92.29372	4.3
96.63524	3.8
97.02891	36.1
98.97576	61.4
99.04450	10.7
100.95069	4.2
101.00873	14.4
102.96899	4.6
109.02863	7.0
110.97584	16.5
115.02444	14.8
116.02123	5.8
116.98618	25.9
117.01862	13.9
119.01910	17.6
119.04944	5.1
122.02161	6.0
123.05594	5.4
125.02692	10.3
127.03925	39.6
128.98627	20.9
129.04013	6.0
129.10216	5.1
130.01787	4.8
130.93288	9.3
131.01918	12.5
133.03487	27.4
135.02974	5.1
137.02661	7.8
140.98627	5.0
142.01906	4.4
143.00151	7.4
143.01784	7.6
145.03505	6.7
145.04967	30.3
146.03238	5.1
146.99660	17.3
147.04353	4.7
149.02948	9.0
151.02388	15.0
155.01964	5.9
157.03539	6.2
158.99683	7.0
160.02965	19.0
161.01231	8.6
161.02983	11.4
163.03760	9.1
166.02910	5.4
169.03448	7.7
170.99925	4.6
171.01335	20.9
172.94418	6.2
173.02982	14.5
174.55698	5.3
174.97670	6.7
174.99203	8.2
175.00876	15.2
176.97430	7.9
177.00848	12.5
181.03427	10.5
182.99652	5.4
183.03214	4.1
183.05083	9.8
185.02971	5.8
188.99249	9.0
189.00861	9.1
189.02374	26.4
190.03970	12.7
190.98799	15.8
191.04030	10.3
199.00958	11.0
199.04575	6.0
200.97318	5.4
201.00821	11.1
201.02528	8.1
202.03960	34.8
203.00282	4.4
203.02295	6.6
203.04028	9.1
205.00247	10.4
207.00217	5.2
208.99947	4.5
211.04475	60.6
211.54733	7.1
213.02612	6.8
214.95393	7.8
215.04053	7.9
216.98703	11.6
217.01907	25.4
218.03517	7.2
218.98421	17.2
219.01804	24.1
220.05099	31.1
220.55122	4.9
221.05128	10.2
223.01253	7.2
227.00308	6.0
229.02080	7.3
231.00183	6.9
231.03508	19.3
232.96376	8.8
232.99976	9.2
233.03558	17.7
236.99635	14.6
237.02672	9.0
239.06029	7.5
239.13895	6.2
245.05144	6.3
247.03008	6.0
248.95724	7.4
256.98218	13.8
257.01089	7.6
257.14868	8.5
259.03186	27.5
260.95721	5.2
265.15408	6.8
266.00293	5.3
268.98318	6.8
269.01978	6.6
271.06741	9.4
274.97220	9.9
275.06421	5.9
277.04153	14.6
278.96838	10.8
286.99286	12.7
287.02396	5.4
289.04083	12.0
292.98511	7.2
298.97653	10.7
299.01004	13.4
300.96832	5.1
301.04233	6.4
309.97430	5.7
316.98712	19.2
317.02551	6.8
319.05185	17.6
329.00339	13.4
331.04935	13.0
334.99774	11.7
341.02167	6.4
347.01328	10.9
349.05957	7.6
358.99603	15.8
359.03421	29.3
369.09970	7.0
376.96729	5.1
377.04642	12.4
379.07288	16.0
413.00894	4.9
419.02167	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	418.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59048	0.6
53.03943	1.0
55.01870	0.9
55.05511	3.8
55.53492	0.5
56.05834	1.4
57.03436	1.7
57.07072	2.2
59.05002	0.7
67.05511	14.6
68.05836	3.0
68.86154	0.5
69.03430	4.8
69.07072	6.6
69.20065	4.4
70.03772	0.9
70.07400	1.7
71.04993	1.8
79.05501	5.5
80.05822	1.2
81.03425	1.0
81.06594	1.1
81.07065	22.9
82.06953	1.0
82.07391	6.9
83.05012	0.8
83.08613	2.3
84.08138	0.6
85.06553	7.4
86.06883	1.7
91.05476	4.5
92.05815	1.7
93.07043	9.1
94.07377	2.1
95.04974	4.1
95.08606	9.5
96.05293	1.2
96.08938	3.0
97.06533	2.3
97.10192	0.8
98.20729	1.0
99.08105	3.7
103.89221	0.5
105.07043	8.8
106.07379	3.8
107.04990	0.7
107.08608	12.0
108.08921	4.1
109.06539	2.6
109.10165	20.7
110.06803	0.8
110.10500	9.6
117.07001	1.4
118.07378	0.6
119.08594	8.0
120.08922	3.9
121.10145	6.9
122.10474	3.6
123.08099	0.8
123.11720	8.5
124.12033	4.4
125.09645	13.5
126.09960	5.1
127.11206	9.0
128.11542	3.8
129.07108	0.6
131.08531	3.2
132.08928	1.6
133.10147	5.7
134.10468	4.1
135.11681	4.4
136.12044	1.5
137.05905	0.5
137.09618	0.7
137.13255	0.7
145.06409	0.6
145.10150	4.1
146.10486	2.6
147.11703	5.3
147.55939	0.6
148.12044	3.9
149.13284	1.8
150.13588	1.4
151.11200	5.4
152.11517	2.3
157.10149	1.3
159.11710	6.1
160.12053	4.3
161.13303	4.8
162.13594	3.4
163.11148	0.7
167.07033	4.6
168.07411	2.4
169.10115	0.8
169.12239	5.0
170.12598	2.9
171.11763	0.7
172.12088	1.1
173.13255	3.2
174.06438	0.9
174.13588	2.7
175.14853	0.7
176.15207	0.6
177.12827	0.6
181.05003	2.3
182.05295	0.7
186.13715	0.8
187.14824	1.6
188.15163	1.2
199.14792	1.1
200.15329	1.0
201.16348	1.0
202.16763	0.7
203.70197	0.5
213.16454	0.6
214.16832	1.3
215.17981	24.9
216.18314	31.4
230.19922	0.8
233.19014	4.5
234.19383	5.7
253.19601	0.9
254.19868	1.5
255.21121	1.5
256.21451	2.5
269.97641	0.6
271.20547	0.8
272.20908	2.1
273.22214	3.1
274.22488	8.1
276.20386	0.8
287.23560	0.7
288.24057	0.9
290.22000	1.8
291.81064	0.5
294.21378	0.5
300.23892	0.6
302.25562	0.6
304.23425	1.0
305.04431	0.7
342.28839	1.1
344.84998	0.6
350.41956	0.5
364.30914	0.6
382.31903	4.7
388.14624	1.0
388.32935	1.0
400.32956	15.3
401.33923	0.8
418.15747	2.4
418.33994	100.0
419.11160	3.6
419.34311	1.0
442.64993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59048	0.6
53.03943	1.0
55.01870	0.9
55.05511	3.8
55.53492	0.5
56.05834	1.4
57.03436	1.7
57.07072	2.2
59.05002	0.7
67.05511	14.6
68.05836	3.0
68.86154	0.5
69.03430	4.8
69.07072	6.6
69.20065	4.4
70.03772	0.9
70.07400	1.7
71.04993	1.8
79.05501	5.5
80.05822	1.2
81.03425	1.0
81.06594	1.1
81.07065	22.9
82.06953	1.0
82.07391	6.9
83.05012	0.8
83.08613	2.3
84.08138	0.6
85.06553	7.4
86.06883	1.7
91.05476	4.5
92.05815	1.7
93.07043	9.1
94.07377	2.1
95.04974	4.1
95.08606	9.5
96.05293	1.2
96.08938	3.0
97.06533	2.3
97.10192	0.8
98.20729	1.0
99.08105	3.7
103.89221	0.5
105.07043	8.8
106.07379	3.8
107.04990	0.7
107.08608	12.0
108.08921	4.1
109.06539	2.6
109.10165	20.7
110.06803	0.8
110.10500	9.6
117.07001	1.4
118.07378	0.6
119.08594	8.0
120.08922	3.9
121.10145	6.9
122.10474	3.6
123.08099	0.8
123.11720	8.5
124.12033	4.4
125.09645	13.5
126.09960	5.1
127.11206	9.0
128.11542	3.8
129.07108	0.6
131.08531	3.2
132.08928	1.6
133.10147	5.7
134.10468	4.1
135.11681	4.4
136.12044	1.5
137.05905	0.5
137.09618	0.7
137.13255	0.7
145.06409	0.6
145.10150	4.1
146.10486	2.6
147.11703	5.3
147.55939	0.6
148.12044	3.9
149.13284	1.8
150.13588	1.4
151.11200	5.4
152.11517	2.3
157.10149	1.3
159.11710	6.1
160.12053	4.3
161.13303	4.8
162.13594	3.4
163.11148	0.7
167.07033	4.6
168.07411	2.4
169.10115	0.8
169.12239	5.0
170.12598	2.9
171.11763	0.7
172.12088	1.1
173.13255	3.2
174.06438	0.9
174.13588	2.7
175.14853	0.7
176.15207	0.6
177.12827	0.6
181.05003	2.3
182.05295	0.7
186.13715	0.8
187.14824	1.6
188.15163	1.2
199.14792	1.1
200.15329	1.0
201.16348	1.0
202.16763	0.7
203.70197	0.5
213.16454	0.6
214.16832	1.3
215.17981	24.9
216.18314	31.4
230.19922	0.8
233.19014	4.5
234.19383	5.7
253.19601	0.9
254.19868	1.5
255.21121	1.5
256.21451	2.5
269.97641	0.6
271.20547	0.8
272.20908	2.1
273.22214	3.1
274.22488	8.1
276.20386	0.8
287.23560	0.7
288.24057	0.9
290.22000	1.8
291.81064	0.5
294.21378	0.5
300.23892	0.6
302.25562	0.6
304.23425	1.0
305.04431	0.7
342.28839	1.1
344.84998	0.6
350.41956	0.5
364.30914	0.6
382.31903	4.7
388.14624	1.0
388.32935	1.0
400.32956	15.3
401.33923	0.8
418.15747	2.4
418.33994	100.0
419.11160	3.6
419.34311	1.0
442.64993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50703	0.4
64.21428	0.3
70.64282	0.8
71.00314	0.3
73.06564	0.7
79.05499	0.9
84.08149	0.4
85.21675	0.4
86.09711	0.8
91.05500	0.8
93.07047	0.9
98.97588	0.5
103.05471	5.1
107.04961	1.8
120.08114	100.0
121.08421	0.8
131.04951	2.5
149.05969	2.2
166.08652	54.6
183.04822	0.3
237.02859	0.4
243.33220	0.4
260.73856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.03428	1.5
57.07072	2.6
65.03934	0.9
67.05505	14.3
68.05841	2.2
69.03423	6.8
69.07071	8.6
70.03768	0.9
70.06570	1.2
70.07396	2.1
71.04986	2.0
71.53057	0.8
72.05322	0.9
72.44858	0.7
78.04702	0.7
79.05502	5.9
80.05814	1.7
81.07056	27.4
82.07390	7.1
83.08623	3.4
83.94894	0.7
85.02923	1.0
85.06547	8.3
86.06876	2.7
91.05488	6.8
92.05803	1.8
93.07043	8.2
94.07363	1.8
95.04996	4.7
95.08612	10.2
96.05294	1.6
96.08954	3.3
97.06522	2.1
97.10187	1.8
98.10509	1.1
99.08103	3.8
105.07039	10.9
106.07363	3.2
107.08589	11.9
108.08939	3.7
109.06510	2.2
109.10165	21.4
110.10486	9.5
113.09626	1.4
114.03735	0.8
117.07024	2.0
119.08580	9.0
120.08878	3.9
121.10144	8.3
122.10481	3.2
123.08066	1.1
123.11707	9.0
124.12035	3.6
125.09634	11.2
126.09966	4.4
127.11189	10.7
128.11540	5.4
129.07028	1.1
131.08560	4.2
132.08904	1.9
133.10150	9.1
134.10490	3.1
135.11668	3.6
136.12041	2.5
145.10117	5.9
146.10466	4.0
147.11696	5.9
148.12036	4.8
149.13289	1.5
151.11218	5.8
152.11523	3.4
157.10127	2.0
158.10469	1.3
159.11705	6.0
160.12024	3.4
161.13243	3.3
162.13628	2.9
165.12717	0.9
167.07013	8.0
168.07333	5.0
169.12247	5.0
170.12608	3.1
171.11655	1.1
173.13284	2.7
174.13644	2.3
175.14763	1.2
181.04970	2.4
182.05234	1.7
186.13712	1.7
187.14789	1.4
188.15147	1.1
190.18379	0.8
202.16695	0.8
214.16708	1.7
215.17964	25.0
216.18291	38.8
221.15320	1.1
231.21054	0.8
233.19090	4.4
234.19351	5.8
240.18318	0.9
246.99205	0.9
254.19936	1.9
256.21475	2.6
271.20645	1.2
272.21051	2.6
272.67581	0.8
273.22180	2.4
274.22479	3.9
284.24417	0.9
284.71515	0.7
290.21964	2.3
315.08328	0.8
330.10910	1.0
342.28687	1.7
382.31863	6.8
388.14615	1.2
400.32919	17.2
418.15775	5.0
418.33939	100.0
419.11026	1.8
419.34106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3363
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
53.03938	0.6
55.05507	4.1
57.03413	1.1
57.07070	3.1
58.15134	0.4
59.04987	0.8
64.03458	0.4
65.03931	0.8
67.05503	14.5
69.03096	0.4
69.03430	6.2
69.06745	0.7
69.07068	7.9
69.78485	1.4
69.78893	1.1
71.04996	2.9
79.05490	5.9
81.03408	0.4
81.07055	29.6
83.04971	0.9
83.08618	3.4
85.06544	10.2
91.05465	5.0
92.10411	0.4
92.92443	0.4
93.06495	0.7
93.07040	9.2
95.04962	5.5
95.08601	12.4
97.06534	1.0
97.10178	2.1
99.08120	2.8
105.07027	11.3
107.08590	14.3
109.06514	2.9
109.10155	31.2
111.08072	0.8
111.11720	0.6
113.09606	0.6
117.06997	1.5
119.08583	10.6
121.09333	0.7
121.10149	9.3
122.73351	0.4
123.08109	1.2
123.11701	14.7
125.09630	16.2
127.11196	14.6
128.71605	0.4
129.18394	0.4
131.08566	4.6
132.56117	0.4
133.10138	10.4
135.11693	5.7
137.09639	0.7
143.08502	0.9
145.10120	8.2
147.11697	8.8
149.13293	2.2
151.11182	8.7
157.10121	1.8
159.11688	9.5
161.13261	6.7
163.11169	0.6
163.14784	0.7
165.12761	1.0
167.07076	3.5
167.14458	0.5
169.12247	9.5
171.11722	1.1
173.13237	5.6
175.14835	1.6
177.12762	0.6
181.05045	0.7
185.13271	1.1
185.15451	0.4
186.13989	0.5
187.14815	2.9
189.16371	0.9
197.13293	0.5
199.14771	1.1
200.15588	0.6
201.16344	1.7
213.16350	2.0
215.17949	64.6
216.18185	0.9
221.35503	0.4
225.16235	0.5
227.17921	0.8
229.19478	0.9
233.08095	0.6
233.18990	13.2
237.16582	0.5
239.18076	0.5
241.19528	0.8
245.18520	0.4
253.19569	1.4
255.21008	3.0
257.18945	1.2
259.20651	0.5
267.20987	0.5
269.22559	1.0
271.20578	1.4
273.22098	6.9
275.20013	1.5
283.24152	1.0
285.22070	0.8
287.23666	0.7
289.21671	2.5
301.25290	0.9
317.24841	0.6
327.26782	0.8
341.28442	1.1
363.30609	0.8
381.31625	4.6
387.32285	0.9
399.32596	14.3
417.15207	1.2
417.33618	100.0
418.33963	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	417.3365
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
53.99068	0.7
55.05502	4.1
57.03441	1.6
57.07074	3.2
59.04993	1.0
65.03937	1.3
65.08278	0.6
67.05508	14.6
68.87924	0.6
69.03432	5.9
69.07075	7.0
70.02901	2.8
70.14760	0.8
70.37261	0.6
71.04984	2.0
79.05491	7.5
81.07062	26.7
83.04969	0.7
83.08619	2.3
85.06545	9.9
91.05480	5.7
93.07054	7.4
95.04951	4.2
95.08614	10.8
97.06567	1.4
97.10180	1.6
99.08092	3.1
105.07040	9.5
107.08599	11.9
109.06522	3.2
109.10161	30.4
111.11678	0.8
117.07001	1.7
119.08579	11.4
121.10149	8.8
123.11709	13.4
125.09636	15.6
127.11189	15.2
131.08583	5.2
133.10135	10.2
135.11699	6.0
143.08626	1.0
145.10127	7.6
147.11699	7.5
149.13289	2.6
151.11166	7.6
157.10150	2.7
159.11722	9.4
161.13286	6.0
165.12708	1.1
167.07047	5.5
169.12267	7.5
171.11688	1.5
173.13283	6.2
175.14789	1.2
176.89250	0.7
181.05119	1.1
185.13240	0.7
187.14838	2.5
199.14903	1.1
201.16399	1.7
203.17976	0.9
213.16386	1.9
215.17967	57.6
216.18411	0.8
233.19037	10.3
234.19481	0.8
253.19699	1.4
255.21033	2.8
257.19077	0.9
267.21396	0.9
271.20645	2.4
273.22110	5.9
275.19995	1.1
276.66345	0.7
283.24197	0.9
289.21552	2.0
301.25241	1.1
303.23175	0.9
317.24774	1.1
341.28439	1.0
381.31622	5.0
399.32654	13.8
417.15448	1.9
417.33652	100.0
418.33972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3366
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
53.03945	1.2
55.01865	0.8
55.05518	4.4
57.03428	1.4
57.07079	2.7
59.04992	0.8
64.99377	0.5
65.03939	1.2
67.05509	16.0
69.03426	5.9
69.07069	8.8
69.73875	2.6
71.04984	2.3
79.05078	0.6
79.05497	7.2
81.03439	0.7
81.07062	29.5
82.07368	0.6
83.04971	0.9
83.08605	2.6
85.02922	0.8
85.06551	8.8
89.91534	0.6
91.05475	5.3
93.07050	10.5
95.04977	3.8
95.08618	13.4
97.02959	0.6
97.06533	1.8
97.10155	1.5
98.21404	1.1
99.08086	2.4
103.05466	0.8
104.16415	0.7
105.07040	11.3
107.04956	1.1
107.08604	14.9
109.06533	3.2
109.10162	29.3
111.08092	0.7
111.11736	0.8
113.06025	0.6
113.09638	0.8
115.05434	0.8
115.54159	0.6
117.07047	2.6
119.08588	10.9
121.10159	10.0
123.04445	1.0
123.08076	1.1
123.11706	13.6
124.05244	0.6
125.08771	1.2
125.09634	15.2
127.11195	14.6
129.06953	0.6
131.08580	3.1
133.10132	8.9
135.11702	6.7
137.09595	0.8
137.13210	0.7
143.08554	1.5
145.06532	0.7
145.10130	7.7
147.11682	10.0
149.13261	2.4
151.11172	8.0
157.10132	1.6
159.10471	1.1
159.11705	10.6
159.13023	0.6
161.13275	6.6
163.11176	0.9
165.12698	0.7
167.07039	14.7
169.10106	0.9
169.12248	9.9
171.11688	1.7
173.05989	2.1
173.13272	5.5
175.14819	2.0
177.12527	0.7
179.03362	0.6
181.04955	4.6
185.13315	1.5
186.14011	0.6
187.14830	3.2
199.14845	1.2
201.16371	2.1
211.14905	0.7
213.16432	1.7
215.17966	63.8
216.18393	1.0
227.18028	1.1
229.19537	0.6
233.08078	1.2
233.19026	9.3
239.17926	0.8
243.20949	0.5
253.19524	1.6
255.21161	2.4
259.20667	0.7
269.22879	0.7
271.20663	0.6
273.22180	5.7
275.20102	1.4
287.23764	1.3
289.21616	1.9
341.28448	1.2
343.26215	1.0
381.31720	3.8
387.14435	2.0
399.32587	13.7
417.15472	5.5
417.33646	100.0
418.34097	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	417.3368
Annotation	Tigogenin
Peak:m/z	Relative Intensity
53.03922	1.3
55.01869	1.4
55.05512	12.2
57.03437	16.8
57.07078	2.0
59.04998	0.8
65.03940	2.0
67.05180	1.3
67.05509	14.7
69.03428	7.1
69.07072	8.8
70.17171	0.7
70.96187	1.7
71.04984	3.4
73.54617	0.7
79.05498	9.9
81.05048	0.7
81.07061	30.6
83.04976	2.8
83.08629	4.3
85.06541	9.0
91.05482	7.9
91.13556	0.7
93.07045	10.5
95.04977	4.6
95.08614	14.8
95.10085	0.7
97.06565	2.0
97.10175	2.7
99.08098	3.5
105.07039	15.9
107.04934	1.0
107.08604	19.9
109.06534	4.5
109.10163	31.0
111.06824	0.7
111.08101	1.0
113.09679	0.9
117.07028	2.9
119.08588	14.6
121.10154	11.5
123.11711	12.6
125.09637	73.7
127.11195	15.4
131.08551	6.3
133.10139	13.7
135.11699	7.3
143.08612	1.9
145.06512	1.3
145.10141	9.8
147.11691	14.9
149.13245	2.6
151.11200	8.1
157.10158	2.0
159.11697	12.0
161.13261	35.0
162.72581	0.8
163.11182	1.4
165.12799	1.2
167.07054	14.7
167.18954	0.7
169.12251	8.5
171.11668	1.7
173.06001	3.6
173.13295	7.2
175.14853	2.0
181.05006	5.1
185.13306	1.6
186.13995	0.7
187.14799	2.5
199.14845	2.8
201.16380	1.2
213.16312	3.5
215.17966	55.4
216.18283	1.2
224.21507	0.7
227.18021	1.5
229.19566	1.0
233.08061	1.5
233.19038	10.0
239.17932	1.0
253.19455	0.9
255.21098	18.5
255.23650	1.4
260.83319	0.7
267.20953	0.9
269.22937	1.0
271.20679	1.3
273.22147	82.0
275.20090	1.7
289.21631	2.2
301.25229	1.2
317.24716	0.9
341.28262	1.6
381.31448	4.7
387.14578	2.4
399.32568	17.3
417.15515	5.3
417.33649	100.0
418.34064	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	417.3366
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
54.16817	0.4
55.05509	2.1
57.03424	1.8
59.04956	0.4
67.05506	5.9
69.07073	16.0
71.04995	0.6
71.38464	0.9
73.06560	2.2
79.05150	0.5
79.05503	5.3
81.03399	0.5
81.07065	9.7
83.08622	1.3
83.47740	0.5
85.06539	1.4
91.05489	4.7
93.07045	6.0
95.04970	2.1
95.08613	7.5
97.06535	2.6
97.10167	0.9
98.04619	0.5
99.08072	0.8
105.07039	15.5
107.08603	10.9
109.06526	0.9
109.10162	6.4
115.07571	2.6
117.07013	1.8
119.07807	0.7
119.08590	9.5
121.06674	0.4
121.10162	5.9
123.08045	0.7
123.11765	2.8
125.09638	7.1
127.11178	1.9
129.07010	0.6
131.08536	4.1
133.10139	7.6
135.11694	5.2
136.06166	0.9
137.13286	0.7
143.08572	0.6
145.10121	7.6
147.11699	14.2
149.13271	3.5
151.11179	1.9
157.10144	0.9
159.11708	11.0
161.13264	78.3
162.13591	0.9
163.11198	3.3
163.14867	0.8
165.12776	0.5
167.07074	2.0
169.12210	0.9
171.11699	0.9
173.13272	6.6
175.14845	1.2
177.12700	0.5
181.04961	0.8
185.13269	2.5
187.14851	2.5
189.16415	0.8
189.51624	0.5
196.57716	0.5
199.14862	3.3
201.16409	0.5
203.18117	0.5
213.16414	1.8
215.17966	7.7
227.17946	1.8
233.19066	1.2
255.21098	30.8
271.21213	0.5
273.22141	100.0
274.22546	1.9
285.25742	1.2
308.80264	0.4
331.94458	0.5
381.31683	0.6
387.14001	0.5
399.32510	3.1
417.15680	1.1
417.33643	51.9
418.34216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3363
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
50.02237	0.5
51.80274	0.5
55.05502	4.0
57.03435	0.7
57.07076	2.8
59.04998	0.5
65.03918	0.7
67.05133	0.7
67.05503	15.5
69.03431	5.8
69.07068	6.7
69.94491	2.5
71.04988	2.8
79.05486	5.9
81.07056	27.3
83.04971	1.0
83.08608	2.7
85.06028	0.6
85.06540	9.5
91.05481	5.3
92.20261	0.7
93.07049	7.8
95.04984	4.7
95.08604	11.9
97.06546	1.0
97.10168	1.5
99.08079	3.2
105.07029	9.6
107.08588	13.6
109.06514	3.8
109.10155	31.6
110.10464	0.7
111.08059	0.6
111.11728	0.6
113.06049	0.5
113.09647	0.6
117.07005	1.1
119.08576	11.7
121.10157	9.8
123.08084	1.3
123.11709	13.6
125.09630	15.1
127.11191	14.8
131.08553	4.2
133.10129	9.8
135.11700	4.9
143.08580	1.2
145.10126	7.6
147.11684	8.7
149.13260	1.7
151.11183	7.8
157.10126	1.5
159.11696	9.6
161.13264	5.4
163.11214	0.7
165.12753	1.5
167.07056	1.3
169.12254	9.1
171.11694	1.0
173.13260	5.5
175.14873	1.2
183.11726	0.7
185.13319	1.2
186.14024	0.6
187.14857	2.8
189.16327	1.0
197.13271	0.8
199.14882	0.9
201.16432	2.0
209.44522	0.6
211.14822	0.5
213.16443	1.6
215.17952	60.1
216.18349	1.0
229.19548	0.8
233.18996	11.9
239.17911	0.8
253.19493	0.8
255.21063	2.1
257.19055	0.6
269.22672	1.1
271.20584	1.5
273.22131	6.6
275.20074	1.4
285.22382	0.7
287.23639	1.1
289.21637	3.0
301.25394	0.8
317.24908	1.0
327.26855	0.8
341.28491	1.7
363.30615	0.7
381.31506	4.9
399.32507	14.9
417.33612	100.0
418.34094	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	417.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21168	0.5
53.03921	0.7
55.05503	2.5
55.65325	0.6
57.03437	3.6
59.86921	0.5
67.05512	3.7
69.07073	19.8
69.97582	2.1
73.06570	3.2
79.05500	5.0
81.07063	7.5
83.04968	0.7
83.08618	1.3
83.54986	0.5
89.47459	0.5
91.05492	3.7
93.07056	7.0
95.04993	1.4
95.08624	6.4
97.06542	3.4
97.10152	0.6
99.08064	1.1
105.07043	13.6
107.08601	9.2
109.06546	0.6
109.10167	4.2
115.07594	3.7
117.07016	1.4
119.08582	8.9
120.08936	0.7
121.10140	5.1
123.08002	0.8
123.11681	1.3
125.09641	13.7
129.06937	0.8
131.08543	3.1
133.10133	6.2
135.11717	4.8
143.08562	0.7
145.10136	6.3
147.11697	11.8
149.13261	2.5
151.11153	0.9
157.10097	0.9
159.11702	10.3
161.13266	74.0
162.13579	1.1
163.11197	2.1
171.11766	1.1
173.13315	5.3
175.14812	1.1
177.16379	0.6
185.13258	2.3
187.14877	1.3
189.16382	0.7
199.14815	2.8
201.16339	0.8
203.03773	0.7
213.16371	1.3
215.18001	0.9
227.17944	1.3
255.21121	29.4
273.22141	100.0
274.22467	2.1
285.25742	1.9
325.21536	0.7
343.22955	0.6
380.56589	0.9
399.32605	1.5
417.26639	2.1
417.33652	32.4
418.33896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3361
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
53.03940	1.3
55.01871	0.8
55.05515	3.0
57.03436	2.0
65.03934	0.9
66.92422	0.4
67.05510	4.8
69.03417	1.4
69.07069	18.6
69.38046	3.1
71.04986	0.9
73.02926	0.6
73.06568	2.7
78.04723	0.5
79.05083	0.5
79.05499	5.8
81.03438	0.8
81.07061	8.0
83.04992	0.9
83.08622	1.3
84.07641	0.8
84.08146	13.6
85.02908	2.4
85.06534	1.0
87.00837	0.6
91.05468	4.5
93.07044	6.5
95.04951	1.6
95.08610	7.6
97.02861	0.8
97.06532	4.3
98.20778	0.8
99.08086	0.8
103.05450	1.2
105.01823	0.8
105.07033	12.1
107.04955	1.0
107.08601	10.1
109.02868	0.8
109.06495	0.7
109.10162	4.5
115.05439	0.8
115.07571	4.0
117.07015	2.4
117.59743	0.4
119.08585	7.7
121.06496	0.5
121.10148	5.9
123.04417	1.4
123.08054	1.1
123.11729	2.1
125.05981	0.4
125.09618	4.2
127.03916	2.0
127.11195	0.5
129.06990	0.8
129.10217	0.5
130.08647	1.3
131.04909	0.5
131.08586	3.3
133.10150	6.1
135.11697	4.6
137.09645	0.7
137.13235	0.4
143.08543	1.0
145.06467	1.8
145.10120	6.8
147.11687	12.2
148.05133	0.5
149.13278	2.8
151.11140	1.8
155.06058	1.0
155.08543	0.4
157.10211	0.9
159.02953	0.5
159.11690	10.3
161.13258	68.4
162.13542	0.5
163.11163	2.4
165.12796	0.5
167.07042	21.8
168.07497	0.4
169.12256	0.6
171.11736	1.0
173.05984	3.2
173.13257	5.7
175.11212	0.4
175.14839	1.1
177.16486	0.5
181.04977	7.6
181.12189	0.4
185.13274	1.9
187.14848	1.6
189.16411	0.5
191.06989	2.0
199.14856	2.2
201.16312	0.7
205.08510	0.6
213.16360	1.4
215.17940	1.4
217.08492	0.4
227.17978	1.1
233.08167	1.0
255.21101	26.5
256.21378	0.6
267.06622	0.4
273.22128	100.0
274.22510	1.6
285.25812	1.9
307.03510	0.4
381.31293	1.9
387.14401	3.1
399.32465	4.4
417.15433	7.5
417.21069	1.3
417.33609	35.2
418.33740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43160	0.6
55.01858	0.5
55.05515	2.7
57.03452	2.9
65.03918	0.6
67.05500	3.2
69.07073	18.8
70.06405	1.0
70.06800	1.2
73.06563	3.4
75.43791	0.6
79.05494	3.9
81.07067	5.8
83.04964	1.0
83.08601	0.8
91.05473	4.1
93.07043	5.9
95.04933	0.7
95.08610	4.9
97.06545	3.8
98.20827	0.6
103.10543	0.5
105.07033	13.8
107.08603	9.4
109.10169	3.5
115.07569	5.7
117.07008	1.4
119.08588	6.9
121.10157	4.6
123.11711	1.4
123.99626	0.5
125.09634	9.5
127.11156	1.3
131.08537	2.5
133.10132	5.1
135.11717	4.5
145.10146	5.5
147.11691	13.7
149.13242	2.4
159.11687	8.0
161.13264	64.7
162.13556	0.9
163.11163	2.5
163.14793	0.7
171.11652	1.1
173.13257	4.6
175.14766	1.1
185.13272	2.3
187.14841	1.0
189.16528	0.8
199.14850	3.6
201.16467	0.7
213.16422	2.1
215.18007	1.2
227.17914	0.9
255.21095	26.6
273.22137	100.0
274.22485	1.6
285.25742	2.5
388.84494	0.6
399.32544	2.0
417.33676	30.1
418.34021	0.7
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	Unknow
Peak:m/z	Relative Intensity
55.05490	2.6
57.03444	4.9
67.05508	3.2
67.12982	0.6
69.03400	1.0
69.07076	19.4
70.69593	1.9
73.06530	2.6
73.95808	0.5
79.05496	4.1
81.07063	6.1
83.04963	0.8
83.08603	1.3
91.05475	5.0
93.07050	6.3
95.08615	6.8
97.06528	3.8
97.10162	0.8
105.07044	13.1
107.07899	0.6
107.08607	10.1
109.10135	2.4
115.07574	5.0
117.07007	1.1
119.08577	6.6
121.10157	5.4
123.11700	1.8
125.09645	18.4
127.11173	2.3
131.08553	2.5
133.10147	6.0
135.11716	4.2
135.12549	0.7
143.08597	0.7
145.10130	6.8
147.11699	12.7
149.13252	2.1
151.11212	1.0
159.11700	9.8
161.13275	72.3
162.13551	1.3
163.11186	2.7
173.13257	5.7
175.14917	1.3
185.13264	2.2
187.14844	1.2
199.14847	3.2
213.16432	2.0
215.17996	0.9
220.06499	0.6
227.18011	0.9
241.78114	0.6
255.18390	1.3
255.21104	30.1
273.22156	100.0
274.22482	2.4
278.53726	0.7
285.25842	2.1
312.68924	0.6
320.05624	0.6
350.41718	0.6
351.45364	0.6
399.32672	2.1
417.33664	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55094	0.5
53.42960	0.4
55.05511	2.7
57.03428	1.5
67.05511	4.7
67.70668	0.5
69.03410	0.7
69.07076	16.8
69.61109	3.0
71.04984	0.9
73.06569	2.8
79.05503	5.6
81.07059	8.1
83.04980	1.0
83.08609	1.1
85.06524	0.9
91.05505	4.3
93.07042	7.3
95.04963	1.7
95.08058	0.7
95.08611	7.1
97.06554	2.8
97.10160	1.1
99.08055	0.5
105.07035	15.8
107.08598	9.8
109.06493	1.0
109.10175	4.6
115.07570	2.3
117.07009	2.0
119.07815	0.7
119.08598	8.6
121.10147	6.5
123.08086	0.8
123.11692	2.0
125.09633	4.5
127.11171	0.9
131.08565	2.7
133.10132	7.2
135.11681	5.4
143.08456	0.6
145.10126	6.2
147.11707	15.1
149.13261	2.4
151.11194	1.5
157.10114	1.1
159.11711	11.9
161.13272	78.3
162.13609	0.7
163.11189	3.2
163.14867	0.8
165.12753	0.6
167.07045	2.7
171.11679	1.4
173.13260	5.6
175.14871	1.2
185.13283	2.0
187.14842	1.6
189.16422	1.0
196.01041	0.6
199.14848	2.5
213.16504	2.7
215.17921	3.5
227.17992	0.9
255.21098	31.6
273.22150	100.0
274.22543	2.0
285.25690	1.2
334.06702	0.6
334.66931	0.6
381.31094	0.6
392.94824	0.6
399.32602	1.8
417.15359	1.2
417.33701	46.9
418.34149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
53.03936	0.8
55.05511	3.0
57.03436	2.6
66.69073	0.6
67.05494	2.6
69.07078	21.8
69.58766	3.5
73.06571	2.7
79.05512	5.0
81.07069	8.7
81.39057	0.5
81.49586	0.5
83.04981	1.1
83.08608	1.2
91.05477	3.7
93.07049	6.0
95.04970	1.2
95.08617	5.4
97.06550	2.9
97.10169	0.9
98.04402	0.5
99.08120	1.2
105.07041	13.9
107.08602	9.4
109.10176	3.5
115.07599	4.7
117.07017	1.1
119.08594	8.5
121.10176	4.8
123.11686	1.1
125.09633	11.6
125.10419	0.4
127.11224	1.4
131.08577	3.2
133.10143	6.7
135.11707	4.5
145.10143	8.2
147.10535	0.7
147.11700	14.9
149.13278	2.8
151.11212	0.8
159.11708	9.9
161.13272	78.0
163.11191	2.5
171.27934	0.7
173.13271	6.3
175.14853	1.1
177.16537	0.6
185.13306	2.8
187.14874	1.0
189.16417	0.6
190.01866	0.6
199.14874	2.6
213.16380	2.0
215.17915	1.1
227.18057	1.0
255.21098	33.0
256.21378	0.6
273.22147	100.0
274.22467	1.7
285.25800	1.7
392.78000	0.5
397.32849	0.7
399.32611	1.8
417.33679	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	417.3363
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
55.01822	0.5
55.05481	2.7
55.05721	0.6
57.03440	3.3
66.64219	0.6
67.05504	2.9
69.07072	24.3
69.70768	2.0
69.71169	1.4
73.06561	3.9
79.05109	0.6
79.05482	4.9
81.07060	7.2
91.05500	3.0
93.07051	6.6
95.04961	0.6
95.08611	6.2
97.06525	3.7
97.10145	0.7
105.06335	0.8
105.07034	15.0
107.07999	0.7
107.08593	8.9
109.10168	3.1
111.26586	0.6
112.50770	0.7
115.07591	4.5
117.07046	1.4
119.08587	8.3
121.09489	0.6
121.10170	5.8
123.11677	1.2
125.09639	12.1
126.26482	0.6
127.11140	0.8
131.08595	3.2
133.10139	5.3
135.11717	3.8
137.65173	0.6
143.08524	0.8
145.10132	6.2
147.11696	14.8
149.13237	2.3
151.11169	0.8
153.57584	0.6
159.11697	8.9
161.13264	75.9
163.11176	2.3
171.11674	0.7
173.13283	5.1
175.14809	2.0
185.13191	1.5
187.14793	1.7
199.14893	3.1
203.04408	0.6
213.16360	2.4
215.17976	0.8
227.17781	0.9
255.21101	33.8
273.22134	100.0
274.22403	1.8
285.25787	2.1
315.21774	0.7
399.32520	1.4
413.10403	0.7
417.33676	29.7
418.33865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3363
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
52.35986	0.5
53.03956	0.5
54.31677	0.5
55.05499	2.0
57.03439	3.0
67.05508	3.0
67.34169	0.5
69.03414	0.8
69.07075	20.0
69.23257	4.7
73.06556	2.8
79.05505	3.7
81.07051	5.3
83.04984	0.6
84.80968	0.6
91.05486	4.3
93.07045	5.6
95.04964	1.1
95.08617	5.8
97.06544	3.7
97.10149	1.1
101.25558	0.5
105.07040	13.4
107.08602	8.8
109.06524	0.8
109.10132	3.0
115.07571	5.0
117.07030	1.3
119.08578	7.6
121.10152	5.1
123.11691	1.4
125.09635	12.8
127.11168	1.2
131.08565	2.9
133.10152	5.9
135.11703	4.6
145.10136	6.6
147.11697	13.9
149.13310	3.3
151.11215	0.9
157.10150	0.8
159.11719	9.0
161.13266	69.9
162.13564	0.7
163.11139	2.3
171.11699	0.8
173.13281	4.5
175.14818	1.0
177.12680	0.5
185.13243	1.9
187.14873	0.8
189.16447	0.8
199.14842	2.9
201.16423	0.7
213.16371	2.2
253.19693	0.6
255.18364	1.2
255.21089	27.2
273.22137	100.0
274.22476	1.6
285.25800	2.2
296.49768	0.6
399.32507	1.4
417.33646	31.8
418.33847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57460	0.7
53.03934	1.1
55.01875	1.4
55.05503	2.1
57.03444	4.2
57.35355	0.8
61.02927	7.8
69.03436	14.9
69.07065	2.9
69.89296	3.6
70.06599	7.4
71.05003	2.0
71.06925	1.1
72.08161	20.0
73.02921	3.1
81.03419	5.2
83.01354	0.9
84.04498	1.5
84.08147	4.9
85.02909	100.0
86.09708	41.8
87.04485	2.8
87.05613	1.3
88.04012	1.1
91.03949	4.9
97.02896	23.0
99.04460	3.0
102.05519	1.0
103.04006	0.9
109.02889	7.0
115.03943	1.0
116.07115	1.5
120.08123	0.7
127.03925	23.5
129.10275	2.3
133.06102	8.6
139.14000	0.8
143.11774	5.7
145.04967	59.0
157.13405	1.3
163.06018	21.9
164.86250	0.8
170.66203	0.7
171.11310	6.8
174.41341	0.7
177.05507	0.8
185.12859	1.0
192.99666	1.6
195.01152	10.6
229.11964	2.3
236.07544	0.8
237.13290	4.0
239.17618	2.0
246.14513	9.8
284.19781	4.6
325.11615	1.7
358.99625	0.7
393.67023	0.8
416.29236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24905	0.5
52.58036	0.5
53.03937	1.9
55.01871	2.1
55.05525	1.1
57.03446	3.6
61.02930	8.1
69.03434	14.5
69.07043	0.6
69.89237	2.7
70.06599	6.2
71.04997	1.6
72.08160	7.1
73.02930	3.4
79.08984	0.5
81.03426	5.1
81.29596	0.5
83.01336	0.8
84.04504	1.8
84.08148	3.8
85.02909	100.0
86.09708	12.8
87.04475	2.1
88.03999	0.6
91.03964	5.6
97.02900	21.0
98.20851	0.9
99.04456	3.9
101.02398	0.7
102.05590	0.5
103.03957	0.9
109.02877	7.1
115.03962	1.0
116.07111	1.1
125.68848	0.5
127.03923	25.1
129.10295	2.7
130.05008	1.5
133.06125	1.9
136.07713	0.5
143.11823	1.1
145.04965	58.9
147.07684	1.1
157.13412	0.8
163.06024	28.0
168.75233	0.5
171.11345	1.3
181.48686	0.5
185.12814	0.7
195.01091	2.6
237.13332	3.9
246.14503	2.2
270.28256	0.5
284.19662	1.1
289.09088	0.6
301.12781	0.5
325.11343	1.0
390.51923	0.6
416.28860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03943	0.9
55.05514	0.7
65.03931	2.3
67.05495	2.3
69.03425	1.1
69.65982	3.1
72.03784	0.5
78.04710	2.6
79.05507	2.7
79.28309	0.5
81.03417	0.7
81.07062	1.6
83.08637	0.6
84.08141	0.7
85.02908	2.3
85.06535	0.5
91.05481	2.0
93.03393	0.9
93.07030	1.3
95.04947	1.9
95.08591	0.9
97.02893	0.6
97.06550	1.3
103.05453	4.3
105.07033	1.5
106.04160	1.7
107.04970	6.2
107.08591	0.8
108.02066	0.7
109.06551	0.9
110.03646	1.5
111.04396	0.6
113.33474	0.5
115.05473	3.1
117.07025	6.6
118.04163	1.0
119.08560	0.8
121.06553	0.6
123.04436	6.8
124.05222	2.4
125.06015	0.9
127.05454	0.9
131.04948	3.5
131.08534	0.7
133.06514	1.0
133.10176	0.8
134.03589	0.6
135.04381	0.8
137.06004	0.9
139.07420	0.5
141.07025	0.5
142.02612	0.8
145.06496	7.8
145.10136	0.6
147.08064	0.8
148.05186	2.2
149.80301	0.5
151.03854	1.6
152.04707	2.9
153.05449	1.0
154.39139	0.5
155.06035	4.2
159.17876	0.7
161.05966	0.5
161.13248	0.8
163.07571	2.8
167.07048	100.0
167.84088	0.5
171.06519	0.7
173.05997	15.7
173.13304	0.7
175.07570	0.8
177.05507	0.7
181.04970	41.0
191.07033	14.7
193.08661	0.7
195.06560	1.0
196.68881	0.6
201.05527	1.2
205.08615	3.2
209.08047	0.6
217.08627	0.6
219.10272	1.1
233.08096	7.8
235.09628	3.5
263.09232	0.9
273.22293	0.6
329.10452	0.6
330.36069	0.5
339.12326	0.6
367.11740	0.6
371.14969	0.8
381.13315	1.1
385.12900	1.2
387.14392	14.8
399.14502	1.8
417.15463	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03942	0.6
55.01855	0.5
55.05503	0.6
57.03408	0.5
62.98360	0.3
63.44545	0.3
65.03934	0.9
67.05487	0.9
69.03420	1.3
69.07063	0.8
70.06591	2.1
70.14338	1.4
71.04990	0.4
71.16229	0.3
72.08166	2.4
73.02927	0.4
74.80184	0.3
75.05599	0.5
78.04722	2.7
79.05492	2.5
79.23114	0.3
81.03422	0.6
81.07048	0.9
81.91902	0.3
82.04177	0.6
84.04478	0.3
84.08148	0.7
85.02898	1.7
86.09709	11.9
86.13844	0.3
91.05476	1.6
93.03399	0.6
93.07046	3.1
95.02792	0.3
95.04984	1.6
95.08557	0.4
97.02882	0.5
97.06521	0.7
103.04737	0.3
103.05450	1.4
105.03443	0.4
105.07034	1.2
106.04173	2.1
107.04951	2.2
107.08572	0.6
109.06462	0.4
110.03709	0.4
111.04456	0.7
111.08072	0.6
115.05480	3.0
116.07089	1.3
117.07023	5.8
119.08592	0.5
120.08112	0.7
121.06476	0.4
121.09332	0.6
121.10152	6.5
123.04441	6.4
124.05234	1.9
125.05957	0.3
127.05439	1.0
127.08770	0.4
128.06241	0.4
131.08517	0.5
132.08113	0.6
133.10106	0.3
134.03616	0.4
137.05960	0.6
138.03088	0.4
141.01804	0.3
142.02603	0.4
143.04585	0.6
143.11835	2.0
145.06505	7.7
147.08083	0.6
149.09608	3.5
151.03908	1.4
152.04666	2.2
153.05493	0.8
155.04976	0.4
155.06049	3.3
158.08438	0.5
159.09219	0.4
159.11417	0.6
163.11259	0.4
167.07047	100.0
168.04276	0.4
168.07368	0.6
169.07607	0.4
171.06490	0.7
171.11333	0.9
173.05994	14.8
173.11694	0.3
175.07507	0.7
181.04965	19.9
201.05508	0.8
203.07004	0.4
205.08606	3.3
233.05838	0.6
233.08110	7.9
235.09674	3.9
237.56151	0.3
247.12967	2.3
268.09650	0.4
274.11960	0.7
284.19843	0.4
387.09393	0.7
387.14417	15.0
417.15469	40.8
418.15881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3209
Annotation	Yamogenin
Peak:m/z	Relative Intensity
55.01828	0.5
55.05519	3.5
57.03428	3.0
67.05512	7.0
69.03394	0.7
69.07076	22.3
69.76884	0.5
69.84384	2.7
73.06571	4.1
79.05505	4.3
81.07069	8.3
83.04976	0.9
83.08611	0.8
89.48177	0.4
91.05479	6.1
92.59183	0.5
93.07049	8.0
95.04936	0.9
95.08610	6.9
97.06555	4.2
97.10120	1.0
99.08051	0.7
105.06425	0.6
105.07040	8.0
107.07904	0.8
107.08601	12.2
109.06503	0.8
109.09489	0.7
109.10170	10.7
115.07569	3.4
117.07000	2.9
119.08591	27.0
121.10153	16.2
123.11699	1.0
125.08792	0.8
125.09637	12.6
127.11170	1.2
128.06166	0.5
129.06972	2.8
131.08571	7.1
133.10150	12.6
135.11728	2.5
135.12556	0.5
141.06956	0.6
142.07767	3.4
143.08580	5.2
145.09093	0.8
145.10146	10.9
147.10521	0.8
147.11696	15.3
149.09607	1.3
149.13228	1.3
151.11179	2.4
155.08525	2.1
156.09352	0.5
157.10138	33.6
159.11705	17.1
161.13260	2.2
163.11174	1.5
169.10126	2.4
169.24353	0.5
171.11711	6.9
173.13268	4.1
175.11198	6.9
177.12662	0.7
183.11699	3.4
185.13280	3.1
187.14905	0.7
196.12425	0.7
197.13239	5.6
199.14818	1.3
209.13268	0.7
211.14835	5.6
212.15636	0.6
213.16379	2.2
213.93268	0.5
215.17909	2.6
223.14803	0.8
224.15585	1.6
225.16383	3.0
238.17215	1.6
242.16714	0.5
253.19533	46.3
254.19760	1.0
255.20721	0.6
271.20581	100.0
272.20978	1.5
273.22180	0.6
283.24283	3.8
353.58447	0.5
397.30945	2.7
415.32111	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	415.3209
Annotation	Yamogenin
Peak:m/z	Relative Intensity
50.70978	0.6
55.05507	4.2
55.16735	0.6
57.03442	3.1
67.05511	8.0
68.93352	0.6
69.03402	0.9
69.07072	24.3
71.04974	1.3
71.11398	0.7
71.53130	0.9
73.06555	3.7
79.05500	6.1
81.07056	10.3
83.08599	0.7
91.05482	5.9
93.07050	8.6
95.04944	1.4
95.08611	7.5
97.06526	3.9
97.53138	0.6
98.98443	1.2
99.08062	0.6
105.07043	9.0
107.08601	11.4
109.06468	0.8
109.10167	11.3
115.07583	3.7
117.07041	3.5
117.34628	0.6
119.08585	14.8
121.09326	1.1
121.10149	14.8
122.65230	0.7
123.08049	0.9
123.11700	1.3
125.09636	10.2
127.11147	1.2
128.06233	1.0
129.06987	2.1
131.08597	7.9
133.10133	14.1
135.11665	4.0
136.36288	0.7
141.06964	1.5
142.07755	2.5
143.08586	4.5
145.10127	10.5
147.11691	15.6
149.09592	2.3
149.13205	1.6
151.11183	2.0
155.00986	1.7
155.08563	1.8
157.10141	33.3
159.10474	1.3
159.11711	18.2
161.09615	0.8
161.13283	2.6
163.11241	1.0
169.10114	1.9
171.11699	7.5
173.13297	4.4
175.11221	6.3
175.14801	1.0
183.11768	3.7
185.13293	3.1
187.14781	1.3
197.13275	7.0
199.14879	1.4
211.14854	5.7
211.16632	1.1
213.16417	3.2
215.17934	1.3
220.85072	0.7
223.14861	1.1
224.15601	2.3
225.16350	3.1
233.50151	0.7
238.17168	1.7
253.19522	53.3
255.21123	0.9
261.22195	2.6
271.20581	100.0
272.20871	0.8
283.24185	3.6
379.30005	1.4
397.31119	2.7
415.32101	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	415.3208
Annotation	Diosgenin
Peak:m/z	Relative Intensity
53.03938	1.7
55.01862	0.9
55.05515	6.7
56.43785	0.7
57.03440	1.3
57.07081	3.8
59.05299	0.7
63.45010	0.8
65.03937	0.9
67.05507	22.1
69.03428	6.6
69.07073	18.8
69.71783	1.4
69.72188	3.8
71.04986	2.8
73.06558	1.3
79.05498	8.1
81.07057	37.8
83.04972	1.7
83.08617	5.2
85.06541	9.6
88.75822	0.7
91.05478	9.0
93.07050	11.9
95.04977	5.0
95.08609	14.7
97.02925	0.8
97.06518	3.8
97.10190	1.7
99.08100	3.2
105.07031	13.9
107.08599	17.2
109.06519	2.9
109.10161	29.3
111.08106	1.2
111.11730	0.9
113.09645	1.0
115.07546	1.7
117.06989	5.0
119.08590	13.0
121.06501	1.9
121.10143	9.7
123.08103	2.1
123.11703	10.2
125.06007	1.0
125.09635	16.5
127.11179	10.4
129.06998	4.3
131.08577	13.1
133.10138	19.1
135.08052	0.8
135.11705	4.8
139.11140	0.8
142.07765	3.5
143.08557	10.6
145.10132	14.4
147.11688	13.8
149.09662	1.8
149.13255	3.6
151.11159	8.7
155.08521	2.5
156.09355	1.7
157.10139	33.3
158.10948	1.3
159.11693	16.2
161.09657	0.9
161.12003	1.0
161.13286	11.0
163.11197	3.1
163.14845	1.0
165.12834	1.7
169.10147	3.6
169.12248	8.0
171.11700	17.1
173.09642	1.3
173.13252	5.8
175.11162	2.4
175.14848	1.7
181.10228	1.8
181.12224	0.9
183.11700	4.3
185.13298	6.6
187.14830	2.2
195.11646	1.5
196.12451	1.3
197.13286	3.9
199.14857	2.8
201.12709	0.8
201.16541	1.5
209.13246	1.0
211.13086	1.2
211.14847	12.1
213.16385	45.1
215.14325	1.2
215.17947	5.3
223.14749	1.4
225.16365	1.7
227.17924	1.8
229.15889	8.7
229.19554	1.1
231.17436	12.0
237.16403	2.3
239.17912	2.2
251.18037	1.9
253.19542	17.8
255.17511	1.9
255.21172	3.9
257.19064	0.9
269.19086	1.7
271.20584	29.2
273.18875	1.1
273.22098	11.9
281.22556	1.0
283.24286	1.9
287.19995	1.9
339.26840	1.0
361.28775	1.1
379.29971	8.1
385.30765	0.8
397.26468	1.3
397.31076	17.8
415.32068	100.0
416.32446	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	415.321
Annotation	Yamogenin
Peak:m/z	Relative Intensity
53.03919	0.6
55.01856	0.8
55.05505	1.8
55.20607	0.5
57.03424	0.9
67.05527	3.1
69.03439	2.7
69.07079	4.4
69.67202	2.7
71.04972	0.7
79.05505	4.4
80.77673	0.4
81.07065	9.1
83.04995	2.2
83.08612	1.6
85.06550	0.9
91.05484	3.2
93.07062	6.7
95.04982	0.8
95.08614	6.7
97.02882	0.8
97.06522	2.4
97.10194	0.8
99.08064	0.7
101.82487	0.4
105.07034	7.2
107.08605	9.5
109.06554	2.2
109.10184	4.3
111.04455	5.0
111.08122	0.5
111.11722	0.5
113.06007	1.8
113.09652	0.4
115.07586	0.5
117.07044	1.1
117.76580	0.5
119.08597	7.6
121.06507	3.6
121.10146	9.6
123.08051	1.7
123.11743	0.9
125.05986	2.6
125.09649	5.2
127.11214	0.8
131.08597	4.0
132.73907	0.4
133.10141	4.9
135.08101	0.8
135.11707	4.4
139.11191	5.4
143.08607	1.1
145.10123	6.4
147.11700	5.7
149.09628	2.3
149.13260	1.2
151.11203	0.8
153.12804	0.8
157.10139	1.7
159.11702	7.9
161.13289	2.9
163.11214	4.5
165.12737	0.8
167.10725	3.1
171.11732	1.0
173.13226	4.9
175.11172	0.6
175.14894	0.9
177.12772	1.5
181.12233	3.9
184.56316	0.5
185.13234	0.7
187.14865	1.4
189.16431	0.6
197.13303	0.6
199.14842	0.7
201.16389	0.5
211.14827	0.6
213.16388	1.5
215.17970	35.5
227.17986	0.7
229.19644	0.8
233.19048	4.2
253.19524	4.4
271.20605	7.0
273.22079	0.8
281.22586	0.9
283.24188	0.5
284.31458	0.5
289.21762	0.9
299.23557	0.7
317.24817	3.1
341.24719	0.5
379.29834	0.6
397.31097	7.7
415.32111	100.0
416.32394	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	415.3207
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
52.68725	0.4
53.03945	0.5
55.01868	0.6
55.05503	1.7
57.03426	1.1
58.38746	0.3
59.58850	0.3
64.83219	0.3
67.05509	3.3
69.03437	3.1
69.07078	2.9
70.76730	1.0
71.05013	0.5
79.05493	3.5
81.07065	6.9
83.04966	1.0
83.08625	0.9
85.06565	1.9
85.14428	0.4
91.05482	3.4
93.07047	5.6
93.89973	0.3
95.04967	0.7
95.08614	7.8
97.02903	0.8
97.06537	2.6
97.10157	0.7
99.08078	0.4
105.07037	6.5
107.08613	8.3
109.06500	2.0
109.10158	4.5
111.04439	4.4
111.08114	0.5
111.11684	0.5
113.06014	1.9
117.07027	1.4
119.08599	6.7
121.06529	3.4
121.10159	9.3
123.08054	1.6
123.11721	1.4
125.06005	2.3
125.09647	4.2
127.11176	0.5
131.08585	3.5
133.10133	6.1
135.08061	1.0
135.11693	4.1
137.09604	0.5
139.11211	4.2
143.08557	1.1
145.10136	5.3
147.11707	4.4
149.09674	1.9
149.13249	1.0
151.11180	0.6
157.10097	1.8
159.11700	6.0
161.13261	6.0
163.11195	4.3
163.14786	0.5
165.12761	1.2
167.10683	3.5
171.11713	1.8
173.13275	3.9
175.11227	0.6
175.14780	0.4
177.12830	1.0
181.12231	3.1
183.13773	0.4
185.13312	1.0
185.69778	0.3
186.13957	0.3
187.14832	1.8
191.78258	0.4
195.13716	0.4
197.13272	0.6
199.14932	0.5
201.16498	0.5
211.14940	0.6
213.16444	1.7
215.17969	34.7
216.18372	0.5
217.15932	0.3
229.15979	0.4
233.19048	3.4
247.50664	0.3
253.19522	2.0
255.21130	1.9
271.20627	3.2
273.22156	7.1
289.21628	1.2
299.23730	0.8
317.21478	0.5
317.24759	3.0
379.30002	1.0
397.31058	6.7
415.32101	100.0
416.32388	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
55.05513	3.8
57.03430	1.0
57.07065	3.3
59.41800	0.8
67.05510	18.3
69.03432	6.1
69.07068	9.1
69.20938	4.9
69.21364	2.3
71.04977	2.1
71.42288	0.7
72.62846	0.8
79.05496	5.5
81.07059	34.2
81.07536	1.7
81.47657	0.8
83.04966	0.9
83.06992	0.7
83.08630	3.7
85.06548	9.4
91.05483	6.3
93.07050	6.7
95.04984	4.6
95.08609	9.3
97.06519	1.6
97.10168	1.2
99.08104	4.7
105.07032	9.6
107.08602	9.0
109.06524	3.2
109.10160	31.0
111.08155	1.0
117.07014	2.3
117.96542	0.7
119.08587	7.4
121.10143	5.1
123.08119	1.1
123.11715	11.6
125.09631	18.1
127.11204	11.6
128.06241	1.2
129.07013	2.9
131.08560	10.3
133.10132	10.9
135.11719	1.7
141.06984	1.1
142.07790	1.6
143.08556	8.5
145.10123	10.6
147.11717	6.8
151.11194	8.9
155.08562	1.6
156.09386	1.0
157.10138	26.5
159.11705	8.3
161.13275	2.1
163.11206	1.5
165.12724	1.4
169.10201	2.7
169.12222	7.6
171.11700	15.5
173.13268	3.5
175.11180	2.4
175.14604	0.8
181.10083	1.4
182.10867	1.1
183.11697	2.9
184.12444	1.0
185.13272	5.4
187.14880	1.4
195.11778	1.3
196.12495	1.4
197.13202	4.2
199.14845	1.8
201.16386	1.0
209.13280	1.4
211.14836	8.3
213.16391	49.6
215.17952	1.1
225.16425	1.0
227.17926	1.6
229.15866	11.1
229.19476	1.1
231.17404	11.2
232.88217	0.9
237.16278	1.2
239.18007	2.0
251.18028	1.4
253.19518	3.7
255.17368	1.3
265.19794	1.0
269.19040	1.6
271.20584	8.3
273.18549	2.0
273.22037	1.1
287.20071	2.4
299.23718	1.0
361.28946	2.0
379.30078	7.2
380.30264	1.0
397.31061	16.1
415.32095	100.0
416.32431	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	DIOSGENIN
Peak:m/z	Relative Intensity
53.03942	1.1
53.10000	0.6
55.01850	0.8
55.05514	3.1
57.03415	2.7
67.05505	5.7
69.07068	22.6
70.07574	1.0
70.07966	2.1
73.06558	4.0
79.05502	5.2
81.07064	7.2
83.04970	1.2
83.08611	0.8
91.05471	5.3
93.07055	7.5
95.04994	0.8
95.08613	8.4
97.06535	4.2
105.07035	7.5
107.08601	12.0
109.10149	9.5
115.05424	0.9
115.07560	3.0
117.07011	2.4
119.08582	6.2
121.10149	13.5
123.11662	1.4
125.08782	1.1
125.09633	13.9
128.06216	0.7
129.07025	1.8
131.08578	7.5
133.10135	12.7
135.11674	2.3
141.06940	0.9
142.07764	2.9
143.08588	4.9
145.10133	10.5
147.11693	16.1
149.09604	1.6
149.13264	1.5
151.11197	2.8
155.08563	1.9
157.10138	32.1
159.11711	17.6
161.13235	2.3
163.11215	1.8
168.97411	0.7
169.10110	2.4
171.11694	7.8
173.13275	2.8
175.11180	7.2
176.71494	0.6
183.11676	4.1
185.13232	3.1
197.13301	6.2
199.14789	1.7
209.13271	1.2
211.14853	5.3
213.16364	1.8
215.18008	1.1
223.14758	0.9
224.15617	2.0
225.16455	2.3
238.17229	1.1
242.16438	0.8
253.19528	48.3
271.20581	100.0
272.20819	1.4
283.24164	3.7
397.30844	1.6
415.32086	36.4
416.32556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3208
Annotation	Diosgenin
Peak:m/z	Relative Intensity
53.03951	1.2
55.01867	1.2
55.05515	5.6
57.03439	7.1
57.07067	2.2
60.08488	1.0
66.84171	1.1
67.05508	13.5
69.03432	6.7
69.07069	12.2
70.76692	2.0
71.04966	2.4
74.91222	1.1
78.52723	1.0
79.05499	8.9
81.06591	2.0
81.07054	29.1
83.04982	2.5
83.08616	2.9
85.06551	6.4
91.05482	5.9
93.07043	8.7
95.04958	2.6
95.08608	8.8
97.06532	2.5
97.10204	1.6
99.08090	3.0
105.07030	12.9
107.08589	20.2
109.06538	2.2
109.10158	44.3
110.11289	1.2
113.05956	1.2
117.07011	5.9
119.08575	5.8
121.10166	5.2
123.11700	10.3
125.09631	39.2
127.11198	10.5
129.07030	1.9
130.07794	1.5
131.08556	10.8
133.10121	10.0
135.11688	3.3
139.11194	3.1
142.07805	1.6
143.08601	8.1
145.10129	39.6
147.11691	12.1
151.11150	7.8
155.08546	3.2
157.10127	16.7
159.11694	23.5
161.13248	6.9
169.10081	2.5
169.12236	19.7
171.11705	12.8
173.13249	5.9
183.11696	2.4
185.13293	4.9
187.14845	2.4
195.11652	1.0
197.13281	4.1
198.14009	1.3
199.14806	2.4
209.13339	2.3
211.14825	8.2
213.16379	25.5
213.18381	1.6
223.14865	2.1
225.16267	2.1
229.15881	4.2
231.17484	5.5
237.16451	1.4
238.17244	2.7
239.17957	1.9
251.17979	2.6
253.19522	23.4
255.20981	1.6
269.19000	1.9
271.20563	100.0
272.21048	1.4
273.22211	4.3
297.22073	1.2
299.23798	1.4
379.29984	6.7
395.07028	1.0
397.31033	34.8
415.10080	1.7
415.32074	59.9
416.32114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01870	2.7
55.05505	2.1
57.03436	2.5
60.44790	1.1
61.02911	1.7
67.05500	5.2
69.03435	10.0
69.07073	6.1
70.06584	5.4
70.27094	3.7
72.08151	7.4
73.02901	1.6
75.30253	1.1
79.05496	6.4
81.03420	6.6
81.07064	22.5
83.08604	1.8
84.08155	2.9
85.02913	21.6
85.06540	2.3
86.09720	21.1
87.00851	1.3
91.05480	5.3
93.07054	7.5
95.04945	2.3
95.08614	6.5
97.02921	5.9
97.06553	7.2
105.07066	7.8
107.04959	21.7
107.08572	8.1
109.02859	3.4
109.06516	3.4
109.10170	7.0
111.08097	15.2
117.07044	1.4
119.08596	13.8
121.06526	3.9
121.10142	9.0
123.08072	3.4
127.03911	4.7
129.06979	1.1
131.08572	4.0
133.10138	7.6
135.08040	4.0
135.11688	2.5
137.06038	2.4
137.09624	4.6
143.08534	2.7
145.04953	3.7
145.10165	2.9
147.08015	3.9
147.11682	4.7
148.02167	2.8
149.02557	2.0
149.09618	3.1
149.13281	1.6
151.07524	1.3
157.10129	4.7
159.11700	6.1
161.09642	6.3
161.13377	1.5
163.11128	3.3
165.09122	9.3
166.03152	1.5
167.03580	3.0
167.07091	1.4
173.13284	1.6
175.11194	4.7
175.14827	3.0
177.05475	1.6
177.12766	72.4
181.04973	2.1
185.13004	1.3
189.12593	4.6
189.16426	5.3
199.14835	2.9
199.17993	3.0
205.15877	4.7
217.15891	19.2
227.17516	3.4
231.17091	1.5
235.16946	100.0
239.03337	1.3
253.18016	72.2
273.11185	1.9
281.07724	1.9
286.16003	1.7
300.17004	1.5
347.72348	1.4
397.16461	2.4
415.09918	1.8
415.14786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.233
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.03947	2.5
55.01870	2.7
55.05505	2.1
57.03436	2.5
60.44790	1.1
61.02911	1.7
67.05500	5.2
69.03435	10.0
69.07073	6.1
70.06584	5.4
70.27094	3.7
72.08151	7.4
73.02901	1.6
75.30253	1.1
79.05496	6.4
81.03420	6.6
81.07064	22.5
83.08604	1.8
84.08155	2.9
85.02913	21.6
85.06540	2.3
86.09720	21.1
87.00851	1.3
91.05480	5.3
93.07054	7.5
95.04945	2.3
95.08614	6.5
97.02921	5.9
97.06553	7.2
105.07066	7.8
107.04959	21.7
107.08572	8.1
109.02859	3.4
109.06516	3.4
109.10170	7.0
111.08097	15.2
117.07044	1.4
119.08596	13.8
121.06526	3.9
121.10142	9.0
123.08072	3.4
127.03911	4.7
129.06979	1.1
131.08572	4.0
133.10138	7.6
135.08040	4.0
135.11688	2.5
137.06038	2.4
137.09624	4.6
143.08534	2.7
145.04953	3.7
145.10165	2.9
147.08015	3.9
147.11682	4.7
148.02167	2.8
149.02557	2.0
149.09618	3.1
149.13281	1.6
151.07524	1.3
157.10129	4.7
159.11700	6.1
161.09642	6.3
161.13377	1.5
163.11128	3.3
165.09122	9.3
166.03152	1.5
167.03580	3.0
167.07091	1.4
173.13284	1.6
175.11194	4.7
175.14827	3.0
177.05475	1.6
177.12766	72.4
181.04973	2.1
185.13004	1.3
189.12593	4.6
189.16426	5.3
199.14835	2.9
199.17993	3.0
205.15877	4.7
217.15891	19.2
227.17516	3.4
231.17091	1.5
235.16946	100.0
239.03337	1.3
253.18016	72.2
273.11185	1.9
281.07724	1.9
286.16003	1.7
300.17004	1.5
347.72348	1.4
397.16461	2.4
415.09918	1.8
415.14786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05499	3.7
57.03431	1.9
61.02927	1.0
67.05503	6.8
69.03427	6.1
69.07076	5.8
70.06601	2.2
70.11056	3.4
72.08147	4.4
72.08512	1.0
79.05503	6.0
81.03417	2.6
81.07054	19.2
82.07363	1.1
82.17399	1.0
83.04970	1.4
83.08618	2.4
84.94035	0.9
85.02914	12.0
85.06527	2.5
86.09692	7.3
91.05482	4.3
93.07038	11.4
95.04967	3.0
95.08608	10.4
96.40757	0.9
97.02913	4.8
97.06540	4.5
97.10143	1.0
98.21478	1.2
99.04457	1.2
99.08150	1.0
103.56885	1.0
105.07034	10.1
107.04962	4.7
107.08591	19.3
109.02898	1.6
109.06532	4.0
109.10158	7.6
111.08089	10.5
113.09631	1.6
117.07018	2.7
119.08580	10.4
121.06521	5.0
121.10156	10.2
123.08090	6.1
123.11703	5.6
124.04058	0.9
125.09638	4.3
127.03933	2.1
127.07571	1.0
129.07077	1.5
131.08551	3.3
133.10127	11.5
135.08044	9.1
135.11720	5.7
136.99046	0.9
137.09621	4.1
139.11189	1.8
141.31737	0.9
142.07811	1.4
143.08598	2.2
145.04988	1.7
145.10138	4.3
147.08072	5.5
147.11662	6.5
149.09637	2.1
149.13266	2.8
151.11185	73.0
157.10155	5.2
159.11697	8.8
161.09625	18.8
161.13307	2.7
163.11168	2.0
165.09148	2.3
165.12880	1.2
169.12234	1.5
171.11647	1.8
173.13187	1.1
175.11197	6.8
175.14792	5.1
177.12764	16.9
177.16386	2.6
180.02887	0.9
181.04935	3.0
185.13239	1.1
187.14821	2.3
189.12753	1.9
189.16414	2.9
193.15985	1.0
197.46147	0.9
199.14716	3.9
205.15877	13.9
207.17476	1.0
217.15884	9.6
221.54874	0.9
235.16937	100.0
236.17210	1.0
249.17192	1.1
253.17990	43.9
358.72519	1.2
392.68219	1.2
415.09909	1.5
415.22623	3.6
415.31677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.5
55.01861	18.1
55.05513	33.9
55.19032	5.7
57.03430	17.5
57.07061	7.9
59.56445	4.8
61.02924	13.2
65.03943	6.2
67.05515	48.2
68.99792	11.4
69.03430	51.4
69.07070	41.2
70.06590	12.2
71.02804	9.4
71.04996	57.6
71.28539	5.4
72.08154	11.3
73.02898	14.1
79.05502	48.2
81.03423	52.9
81.07063	68.7
82.07362	5.8
83.04978	23.0
83.08623	41.6
85.02435	8.6
85.02910	99.8
85.06544	13.8
86.09710	82.2
87.00818	44.6
89.06026	13.6
91.05485	49.2
93.07052	74.3
95.04986	27.1
95.06131	6.9
95.08599	57.8
97.02895	51.1
97.06529	11.1
99.04448	12.4
101.02396	7.4
103.03941	31.3
105.01871	7.7
105.07029	61.6
107.04963	36.6
107.08596	61.5
109.02892	33.7
109.06509	13.4
109.10168	100.0
111.04427	18.6
115.03949	15.5
115.05454	11.7
117.07012	18.4
119.04967	8.1
119.08573	52.5
121.06487	19.8
121.10134	33.0
123.04459	7.6
123.08055	23.1
123.11690	14.9
125.05984	10.4
125.09654	11.4
127.03912	23.4
127.11191	60.7
128.06235	11.2
129.01833	14.5
129.06995	13.4
131.08585	45.1
133.06493	6.9
133.10143	39.1
135.04414	23.8
135.08040	16.1
135.11688	14.9
137.05995	11.8
137.09561	8.8
137.13213	7.1
141.06973	8.7
142.07773	6.7
143.08560	23.1
143.10692	11.5
143.11781	12.8
145.04936	9.6
145.06497	11.1
145.10141	31.3
147.02884	7.6
147.08014	17.3
147.11687	29.3
149.09604	18.9
149.13210	17.3
151.07457	5.5
151.11084	6.9
153.05460	8.5
155.08565	8.1
157.10121	17.3
158.09671	7.0
159.02887	11.4
159.08121	8.6
159.11684	27.9
160.11227	7.7
161.05913	6.3
161.09601	11.8
161.13254	38.0
163.11125	9.0
165.09169	9.3
165.12784	12.9
167.07024	22.6
167.14285	15.2
168.08180	6.8
169.10149	18.0
171.02905	8.7
171.06621	5.8
171.08028	21.4
171.11444	10.5
173.09660	10.6
173.13313	16.3
175.14845	11.8
177.09142	6.1
177.12717	14.8
179.10712	5.7
179.14311	23.4
181.04991	25.8
185.13229	10.5
187.11157	24.7
187.14807	9.0
189.03992	48.5
189.05511	6.2
189.09099	14.1
191.10727	7.1
191.14291	16.7
195.06555	14.0
197.13409	7.1
201.12828	6.0
203.14362	13.3
205.12202	15.1
207.10196	6.3
209.15317	8.0
213.16371	9.5
215.14284	7.0
231.05009	9.3
235.16908	12.2
239.14198	10.2
245.18588	18.0
255.21001	7.3
257.15335	39.9
273.18430	4.9
273.22110	35.1
274.78824	5.1
275.16422	25.5
293.17755	8.2
311.11169	5.6
350.50256	6.9
361.16608	7.5
379.17319	14.1
390.85403	5.7
397.18552	19.6
415.09689	22.7
415.19241	11.5
415.26672	11.3
415.31973	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	415.233
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.03935	1.9
54.17217	1.0
55.01874	1.6
55.05525	2.3
57.03422	3.0
57.07052	1.8
59.05000	8.4
61.02924	3.5
65.03930	1.4
65.50115	1.1
67.05507	6.7
69.03103	1.3
69.03437	15.6
69.07069	8.9
70.06578	3.9
70.07764	2.7
70.08146	2.7
71.04993	2.8
72.08157	2.8
73.02900	1.5
75.24234	1.0
76.86037	1.0
77.59857	1.0
79.05479	4.2
81.03426	5.3
81.07062	13.1
83.04970	4.2
83.08592	2.3
84.08147	1.3
85.02911	40.1
85.06535	2.8
86.09698	9.4
91.03949	2.4
91.05473	3.6
93.07046	14.6
95.04992	1.5
95.08613	7.4
97.02896	13.3
97.06526	3.5
99.04451	1.8
99.08092	2.7
105.07037	9.2
107.04944	4.4
107.08595	13.9
109.02880	3.4
109.06510	5.1
109.10187	5.2
109.52693	1.0
111.08098	5.2
117.07029	2.5
119.07798	1.5
119.08585	13.4
121.06509	4.7
121.10153	10.8
123.08065	4.9
125.05886	1.3
125.09622	4.7
127.03930	8.2
131.08553	3.9
133.10141	11.4
135.08064	16.3
135.11656	2.1
137.06041	1.1
137.09637	8.0
143.08559	4.9
145.04990	11.4
145.10094	1.5
147.08003	2.5
147.11639	2.8
149.09630	100.0
150.09914	1.1
157.10135	3.5
159.11696	9.1
161.09621	21.7
163.06026	3.9
163.11163	2.1
165.09074	1.8
167.07043	3.7
171.11652	1.2
173.13240	2.5
175.11200	4.5
175.14847	3.5
177.12753	60.2
189.12578	1.6
189.16411	6.0
199.14818	4.8
203.72691	1.1
217.15880	91.6
219.17410	6.0
233.08186	1.1
235.16934	62.3
253.18028	20.0
268.63861	1.2
361.66171	1.1
415.15054	1.5
415.19894	1.9
415.25348	1.2
426.69867	1.2
432.25687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05519	8.4
56.05034	0.9
56.29480	0.6
57.07064	0.7
57.40043	0.6
59.39744	0.6
62.06081	1.4
62.07312	0.6
67.05503	7.1
69.03428	1.8
69.07055	2.6
69.22907	6.6
70.06570	2.4
71.04994	1.3
71.08635	5.1
72.08150	2.7
73.02898	0.7
73.47667	0.6
77.01160	0.6
78.38161	0.6
80.05049	0.6
81.03401	2.5
81.07050	6.7
83.08630	4.6
84.04496	1.7
84.08126	2.1
85.02863	1.1
86.06070	22.3
86.09692	0.9
86.11397	0.7
87.04465	3.3
88.07584	0.9
88.11281	1.7
91.05475	7.9
93.04013	0.6
93.07053	6.2
95.04977	1.9
95.08060	1.1
95.08607	12.4
96.08141	6.8
97.06535	1.2
98.06042	3.7
98.09682	9.9
99.04456	1.9
99.08079	2.9
104.07089	2.5
105.07031	2.9
107.08573	2.6
108.08122	4.5
109.06515	0.8
109.10174	4.9
111.08075	1.6
112.07590	1.8
114.09171	2.9
116.10735	57.1
117.07064	0.8
119.08582	10.7
121.10136	1.5
122.09644	2.2
123.08025	1.0
124.07604	3.5
125.09602	0.8
126.09132	0.7
130.04941	0.9
131.08516	1.0
134.09610	0.9
135.11656	0.9
137.09621	9.1
140.10680	1.0
142.08632	6.2
142.12277	0.9
143.10690	8.4
145.10149	1.3
147.08037	2.6
149.09644	1.3
150.09129	1.0
152.10687	1.2
154.12302	1.1
154.15880	1.9
157.10107	1.7
160.09688	2.3
161.13231	0.9
165.09135	1.2
166.12250	0.6
166.15923	1.1
168.17444	0.9
178.15997	0.7
183.13718	0.9
196.16936	3.3
206.19121	0.7
213.16431	2.0
214.18028	52.4
220.16942	0.8
224.16577	0.8
227.12788	1.1
229.15840	1.0
238.17993	2.0
245.13834	2.1
250.87776	0.7
252.15848	1.2
254.21149	6.7
256.19073	4.9
261.09293	0.7
262.18164	1.2
270.16974	1.1
280.19064	6.8
298.20117	8.0
316.17685	7.9
316.21164	100.0
317.21555	1.3
370.25446	0.9
396.27429	12.5
414.28531	22.1
415.32294	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	415.1003
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
53.32683	3.1
71.02215	6.7
82.72229	3.4
85.02891	3.6
88.34600	3.4
101.09988	3.8
116.27453	3.6
127.31911	3.0
195.20724	3.5
202.08969	3.5
219.01479	3.7
243.32375	3.4
259.15750	3.5
415.09991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01853	0.9
55.05515	3.7
56.05009	0.6
57.03440	0.4
58.00475	0.3
58.06604	8.1
67.05508	9.2
69.03409	0.5
69.07070	2.5
69.49937	2.4
70.06564	1.3
71.04963	0.7
72.08133	1.3
77.03922	0.4
77.46024	0.4
79.05494	9.7
81.03413	0.6
81.07060	8.4
83.04958	0.8
83.08616	1.8
84.08108	1.2
85.02911	1.0
85.06551	0.5
86.09682	0.5
88.03988	0.9
89.02387	0.6
91.04992	0.5
91.05490	6.4
93.06494	0.7
93.07047	9.7
95.04949	1.2
95.06068	1.5
95.08606	7.1
97.01111	0.4
97.06507	1.3
98.09703	2.0
105.04507	0.5
105.07034	3.8
107.04948	0.8
107.08588	3.7
109.06529	0.9
109.10139	1.7
111.04433	0.6
112.08723	0.7
117.07035	0.6
119.08582	3.3
119.26804	0.4
121.06504	1.0
121.10136	3.3
123.11713	0.8
124.11208	0.6
129.07002	0.9
131.08528	0.7
133.10164	3.0
135.11694	1.3
137.05968	0.8
137.09618	0.6
143.08575	0.4
143.57272	0.4
145.10117	0.8
147.08015	0.6
147.11661	1.5
148.11308	0.4
149.09564	0.8
149.13287	0.7
151.11273	0.5
159.11638	0.4
161.13220	0.8
166.16022	0.5
171.11633	0.5
175.11172	0.7
183.11594	0.4
203.17899	0.5
236.23750	17.4
238.21680	7.0
249.27650	0.4
257.04712	0.6
262.21649	5.4
273.11172	0.8
280.22742	7.0
298.23782	50.2
299.24069	0.7
300.21747	0.6
305.71674	0.4
396.24173	1.1
397.16592	1.6
414.24902	100.0
415.15695	0.7
415.25000	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25672	0.5
55.01806	0.9
55.05426	4.5
55.05714	1.3
59.53970	0.5
60.04469	0.6
62.06032	0.5
64.10262	0.5
67.05416	5.4
67.05808	0.8
67.14121	0.6
69.03362	1.0
69.06979	2.6
70.06523	1.1
70.06863	0.5
71.04922	1.2
71.07291	0.5
71.08543	2.3
71.52932	0.5
72.08062	2.7
81.03371	1.0
81.06961	6.2
83.04912	0.8
83.08514	2.8
84.04441	1.1
84.08046	1.4
86.05965	16.6
86.06539	1.3
86.09617	0.6
87.04401	0.7
88.03894	0.7
91.05376	5.4
93.07041	5.8
95.04887	0.9
95.06016	1.2
95.08604	10.5
96.08020	5.3
97.02838	0.7
97.06431	1.2
98.06048	3.2
98.09692	6.4
99.04383	0.8
99.07993	1.5
105.07047	2.6
107.08472	2.2
108.08112	3.0
109.06426	1.1
109.10167	4.3
110.09623	0.7
111.07998	1.2
112.07526	1.4
113.05914	0.5
114.09180	3.4
116.10735	46.9
117.06944	1.2
119.08586	8.4
121.06441	0.7
121.08791	0.6
121.10045	1.5
122.09596	1.0
123.07988	1.5
123.11597	0.6
124.07606	3.7
125.09560	0.8
126.09081	1.0
127.11115	0.6
129.06900	0.8
130.04886	2.2
131.08444	1.7
133.10028	1.5
133.21643	0.5
134.09520	0.8
135.07971	0.5
135.11568	0.8
136.11131	0.8
137.09612	6.0
138.09052	1.0
139.11136	0.6
142.08649	6.8
142.16376	0.5
143.10675	6.3
145.10034	1.2
147.07936	1.9
147.11598	0.8
149.09494	0.8
152.10652	0.5
157.10025	1.1
159.11617	0.5
160.09720	2.8
161.13153	0.7
165.09032	1.4
171.45467	0.5
196.16843	1.6
206.18889	0.5
209.11723	0.5
213.16348	1.2
214.18021	9.7
215.17981	0.7
220.16837	1.0
224.16335	0.8
236.20039	1.3
238.17963	1.7
242.58054	0.6
245.13788	1.3
252.15924	2.9
254.21228	5.9
256.19034	4.4
256.21414	0.6
258.16949	1.2
270.16937	1.2
280.16083	0.6
280.19077	8.2
298.16507	2.6
298.20078	7.1
316.17557	12.6
316.21133	100.0
317.21536	2.0
370.25864	1.7
396.27240	3.5
397.31104	0.8
414.12595	0.8
414.28568	20.4
415.32303	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	413.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01884	3.2
55.05517	100.0
57.07077	3.4
67.05506	37.3
69.03416	4.2
69.07068	23.1
69.16098	7.3
69.16502	20.4
71.04993	11.3
71.33086	2.5
72.15762	2.2
79.05499	29.1
81.03419	2.7
81.07057	52.8
83.04999	3.7
83.08624	82.3
85.06544	10.4
91.05476	15.6
93.07043	39.0
95.04947	3.8
95.08611	42.4
97.06532	8.9
97.10148	7.2
98.20818	7.7
99.08115	10.1
105.07043	20.2
107.08608	28.3
109.06453	3.2
109.10172	22.2
109.13878	2.7
109.75871	2.4
111.08085	7.5
113.09683	3.8
117.07004	5.5
119.08601	14.0
121.10148	36.3
123.11733	3.2
125.09628	3.8
129.06992	3.3
131.08601	9.1
133.10124	16.6
135.11690	26.0
137.09624	2.9
137.13266	2.6
139.11195	11.1
145.10097	7.1
147.11687	9.7
149.13266	14.3
152.85120	2.7
159.11694	3.6
161.13271	7.4
163.11157	3.1
163.14885	4.1
171.11639	4.8
173.11829	2.9
175.14842	5.2
177.12730	4.0
179.14226	2.9
181.12212	3.0
181.68893	2.4
182.59875	2.6
185.11719	4.9
185.13278	3.4
195.11932	2.6
195.13773	4.3
203.12717	6.0
213.16397	3.1
215.18024	3.4
231.20979	2.9
241.19568	3.9
255.21141	13.6
259.20633	11.2
277.21649	49.3
285.25751	3.9
295.22699	24.6
395.33060	5.4
413.22220	3.2
413.34375	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	414.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01873	1.5
57.19799	1.3
65.03932	3.0
69.03430	6.2
70.06606	7.9
70.36371	2.4
70.36768	3.3
72.08142	2.4
73.02920	2.4
81.03418	8.8
84.08148	2.8
85.02914	17.2
86.09690	5.7
87.00835	7.1
88.89673	1.3
92.05009	8.8
93.07049	1.3
95.04996	1.5
95.06101	1.5
97.02908	16.4
98.20885	1.2
99.04445	3.8
105.01875	8.3
107.08528	2.0
109.02902	9.6
109.03566	1.6
120.04476	100.0
127.03928	17.2
138.05518	20.3
145.04970	5.3
147.03052	1.1
147.04420	1.6
148.03941	80.4
159.02841	4.7
166.05009	34.4
167.06984	1.7
173.04465	2.1
213.03859	1.8
215.56883	1.3
231.05121	3.2
287.63156	1.3
414.26144	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	414.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05517	3.6
57.41129	0.6
58.06608	7.2
59.76250	0.5
64.69860	0.5
67.05188	0.7
67.05512	9.9
69.07080	4.0
69.49315	3.3
70.06578	1.4
71.01324	0.6
72.08130	1.0
72.24243	0.5
78.69530	0.5
79.05499	9.5
81.03423	0.7
81.07059	10.5
82.06583	0.7
83.04972	1.2
83.08604	1.4
84.08163	0.6
85.02893	1.0
85.06537	0.5
86.09699	0.9
88.03958	1.0
89.02401	0.7
91.05479	6.2
91.29290	0.6
93.07049	9.9
95.04960	1.5
95.06090	1.6
95.08612	7.7
97.01118	0.9
97.06525	1.8
98.09699	2.6
105.07024	3.7
107.04969	1.2
107.08112	0.4
107.08620	4.4
109.06509	0.7
109.10153	2.7
111.04439	0.6
112.08755	0.6
113.67252	0.5
115.05473	0.6
117.07037	0.9
119.08585	3.2
121.06489	1.1
121.10149	4.8
123.11771	0.7
125.00544	0.6
125.78978	0.5
127.03979	0.7
129.07014	0.7
131.08591	1.3
133.10135	2.6
135.08102	0.6
135.11720	1.7
137.05995	1.2
143.08585	0.6
145.10179	0.8
147.11679	1.6
149.13275	0.9
157.06480	0.6
157.10146	0.8
159.11707	1.2
161.13374	0.6
171.11748	0.5
194.19006	0.9
236.23734	16.2
238.21680	7.8
243.10336	0.6
257.04813	0.8
262.21609	4.5
273.11230	1.0
280.22742	7.4
289.57468	0.5
298.23785	52.3
396.24191	0.7
397.16559	1.4
414.24908	100.0
415.15924	2.0
415.25208	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	413.3053
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
51.02384	0.9
53.03946	1.3
55.01869	2.2
55.05517	4.9
57.03427	2.4
58.06593	1.9
62.11071	0.6
66.17574	0.6
67.05509	8.3
69.03430	6.1
69.07080	5.7
70.06581	1.7
71.04992	3.4
72.08149	0.8
73.06570	1.0
76.07631	2.3
77.03908	0.6
79.05494	8.8
81.03394	2.0
81.06595	1.1
81.07059	20.0
83.04974	2.1
83.08618	2.6
84.08129	3.1
85.02898	2.9
85.06543	2.7
86.09686	0.7
87.04428	0.9
91.05483	8.7
93.07045	9.8
95.04960	2.5
95.08615	9.3
97.02879	2.5
97.06550	4.9
97.10174	0.6
98.97593	1.5
99.04459	1.4
99.08083	1.9
101.66006	0.7
102.09166	3.6
103.05438	3.5
105.07038	10.1
107.04955	1.2
107.08598	10.4
109.02889	0.8
109.06533	2.9
109.10166	6.4
111.04442	4.9
113.06002	2.0
115.05485	0.9
117.07001	2.4
119.04969	0.8
119.08594	8.0
120.08058	0.8
121.06502	6.6
121.10152	7.7
123.08051	2.7
123.11706	1.3
125.05988	2.1
125.09647	7.5
127.03962	0.9
128.06238	1.6
129.07022	3.9
130.07756	1.1
130.12263	1.1
131.04944	7.3
131.08574	10.3
133.06456	0.9
133.10165	7.9
135.08055	1.7
135.11676	3.0
137.05971	1.7
137.09610	1.4
139.11160	5.6
141.07030	0.8
142.07777	2.4
143.08549	7.4
144.09380	0.9
145.02921	0.8
145.06479	2.1
145.10110	10.4
147.08040	0.7
147.11713	5.7
147.14920	0.7
149.09612	3.3
149.13188	0.9
151.11157	2.1
155.08543	2.9
156.09303	1.3
157.06552	0.8
157.10146	17.6
159.08061	1.0
159.11685	7.5
161.05945	1.2
161.09679	0.7
161.13219	2.0
163.07529	2.1
163.11148	4.7
165.09061	1.0
165.12766	1.9
167.03418	2.7
167.08455	0.6
167.10652	3.1
168.10326	0.8
169.10124	2.9
169.12222	0.7
171.11696	11.6
173.09651	1.0
173.13226	3.4
175.07527	0.8
175.11211	1.7
177.05519	1.3
177.12775	1.3
179.10564	0.8
181.10161	1.1
181.12233	3.9
182.10825	0.8
183.08075	0.8
183.10188	0.7
183.11682	2.8
184.12425	0.8
185.13249	4.0
187.14813	1.0
193.12146	0.6
196.12531	0.9
197.09485	0.9
197.13208	2.5
199.11131	1.0
199.14815	1.6
209.13313	1.4
211.14803	6.1
213.16386	26.3
215.14299	0.9
215.17992	1.3
217.01711	0.7
217.16168	0.8
223.14845	1.9
225.16428	1.3
227.10661	2.0
227.17848	0.9
229.15913	5.4
229.19507	1.0
229.82637	0.9
231.17464	4.9
233.15266	0.7
235.14818	1.4
235.53276	0.7
236.15480	0.7
236.20020	0.9
248.20190	0.7
251.17976	3.6
253.19597	2.1
255.17438	1.0
267.17368	1.0
269.19040	3.6
271.20578	3.9
273.14642	1.1
279.21115	1.1
297.22107	1.0
306.24136	3.7
311.20093	0.8
315.23230	3.0
321.18478	1.2
324.25345	8.1
327.04929	0.9
339.19388	2.2
339.23148	0.7
357.20752	0.7
369.09656	12.4
370.09946	0.8
377.28317	1.0
378.30075	0.8
395.11182	1.8
395.29343	10.5
396.31107	16.9
413.12448	9.3
413.23111	3.9
413.29980	100.0
414.12802	0.8
414.26102	1.2
414.30908	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3053
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
50.25074	0.3
53.03949	0.7
55.01869	0.8
55.05515	2.4
57.03426	0.8
67.05506	3.1
69.03058	0.5
69.03419	2.6
69.07071	4.2
70.96587	0.7
71.04974	0.6
79.05494	3.4
81.07057	10.1
83.04994	1.9
83.08626	1.5
85.06543	1.1
91.05478	3.4
93.07043	6.5
95.04980	0.8
95.08611	6.2
97.02895	0.4
97.06539	2.9
97.10160	0.4
99.08099	0.8
105.07040	5.9
107.04958	0.7
107.08602	5.4
109.06503	2.0
109.10170	2.6
111.04440	4.2
113.06004	1.3
117.07027	1.6
119.08577	4.5
121.06530	3.6
121.10156	4.6
123.08064	1.6
123.11707	0.9
125.06017	1.8
125.09618	3.9
128.06241	0.7
129.07021	2.1
131.08566	5.9
133.10141	6.1
135.08049	1.0
135.11716	1.5
137.09598	0.6
139.11182	5.0
141.07071	0.5
142.07806	1.4
143.08566	4.6
145.06473	0.9
145.10124	7.7
147.11720	1.7
149.08548	0.3
149.09581	2.0
149.13295	0.5
151.11172	1.0
155.08566	0.7
156.09412	0.6
157.10139	14.5
159.08072	0.4
159.11713	4.3
161.09627	0.4
161.13286	1.0
163.11208	4.4
165.12814	1.2
167.03470	0.4
167.10649	2.6
169.10146	1.5
169.12219	0.5
171.11696	7.9
173.09654	0.5
173.13268	1.9
175.11198	1.2
177.12758	0.7
181.10323	0.4
181.12207	3.5
182.10995	0.4
183.11723	1.9
185.13254	3.0
187.14790	0.7
195.11726	1.1
196.12511	1.0
196.82832	0.3
197.09695	0.5
197.13289	1.2
199.14841	1.4
208.93355	0.4
209.09605	0.4
209.13264	1.6
211.14810	3.9
213.16399	22.5
214.16727	0.4
215.14330	0.4
223.14871	0.5
225.16455	0.9
227.10660	0.7
227.17958	0.8
228.81540	0.4
229.15866	3.9
229.19539	0.6
231.17419	4.8
235.14793	0.6
251.18018	2.3
253.19623	0.6
269.19049	2.9
271.20560	0.6
279.21066	1.0
287.20053	0.6
297.22171	1.0
315.23294	2.3
321.18710	0.5
327.05212	0.6
339.19580	1.2
369.09656	1.0
377.28506	0.8
395.29477	6.8
413.12643	2.9
413.30518	100.0
414.30978	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3053
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
53.03941	0.4
54.51963	0.3
55.01878	0.7
55.05510	1.7
56.31099	0.3
57.03433	1.3
59.60334	0.4
64.72179	0.4
65.38094	0.5
67.05515	2.8
69.03442	2.3
69.07073	3.6
71.04987	0.5
79.05499	3.5
81.07065	8.0
83.04994	1.3
83.08617	0.8
85.06535	1.4
91.05488	3.5
93.07047	4.8
95.04974	0.9
95.08612	4.5
97.02917	0.4
97.06535	2.1
99.08079	0.8
105.07046	5.4
107.04947	0.4
107.08601	5.0
109.06535	1.6
109.10133	2.2
111.04453	4.1
113.06002	1.2
113.85456	0.4
115.05452	0.5
117.07045	1.5
119.08584	3.4
121.06513	2.7
121.10168	4.0
123.08085	1.4
123.11726	0.6
125.05996	1.6
125.09636	3.5
128.06255	0.7
129.07016	1.4
131.08601	5.1
133.10152	6.2
135.08069	1.1
135.11687	1.7
135.14272	0.4
139.11201	4.1
141.06987	0.5
142.07784	1.4
143.08571	5.9
145.10133	6.7
146.10501	0.4
147.11728	2.4
149.09660	1.5
149.13260	0.4
151.11220	1.0
152.82959	0.4
155.08620	0.9
156.09315	0.4
157.10141	13.7
159.11720	3.1
161.13269	0.8
163.11185	3.8
165.12842	1.9
167.10704	2.0
169.10133	1.0
169.12302	0.8
171.11714	7.1
173.13283	1.2
175.11234	0.9
181.10117	0.6
181.12260	3.2
183.11617	1.8
185.13318	2.5
187.14807	0.9
193.81036	0.4
195.11745	0.7
197.13338	1.1
198.14053	0.6
199.11139	0.4
199.14883	1.1
207.11929	0.4
209.13318	1.5
211.14778	4.6
213.16397	22.5
214.16911	0.7
223.14882	0.9
225.16391	0.4
227.17889	0.7
229.15903	3.4
229.19643	1.2
231.13963	0.5
231.17445	4.7
235.14886	0.6
237.16502	0.5
251.18085	2.2
253.19574	0.4
269.19064	2.1
271.20743	1.0
279.21115	0.6
291.10864	0.4
297.22165	1.0
315.23175	2.6
339.22906	0.5
367.30356	0.5
377.28348	1.2
380.18359	0.4
395.29474	8.0
413.30539	100.0
414.30704	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	413.2174
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
53.03949	3.3
55.01869	2.3
55.05504	3.1
55.43967	1.7
57.03437	2.6
61.02909	2.1
67.05509	8.5
69.03435	15.4
69.07076	5.5
69.91273	4.7
70.06611	3.4
71.04997	2.5
72.08135	1.8
79.05499	8.5
81.03416	5.1
81.07058	10.7
83.08624	1.9
84.08139	1.4
85.02908	20.9
86.09724	1.7
91.05496	10.0
93.07053	16.2
95.01276	1.4
95.04971	14.7
95.08608	8.1
97.02888	5.9
97.06534	6.3
105.07035	16.7
107.08611	13.8
109.02907	1.7
109.06528	15.8
109.10174	4.9
111.08095	17.1
117.07030	5.4
119.08582	11.8
120.08097	1.6
121.06507	8.2
121.10161	6.4
123.08051	12.1
123.11657	1.8
125.05983	2.3
127.03915	4.8
129.07034	2.6
131.08578	16.0
133.06523	1.6
133.10141	4.7
133.87573	2.0
135.08038	13.5
135.11710	2.8
137.09621	42.0
143.08533	2.2
145.04950	4.1
145.10104	15.8
147.08037	3.2
147.11678	4.7
149.09630	100.0
150.10077	1.8
151.11179	1.6
155.08557	4.0
157.10173	2.6
159.08090	7.5
159.11728	5.6
161.09657	3.0
163.11104	2.5
167.10687	7.4
171.11667	3.9
173.09642	11.1
173.13226	9.4
175.11189	13.4
182.10974	2.1
187.11194	5.2
187.14796	7.0
189.12761	2.1
191.14211	1.7
193.12268	4.6
197.13266	4.9
205.12294	2.3
205.15868	2.3
215.14355	22.4
233.15373	76.0
251.16449	75.5
252.16595	1.8
317.06494	1.6
393.01514	2.2
413.17581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3053
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
55.01859	0.7
55.05504	1.8
57.03430	0.9
61.19319	0.4
65.03934	0.5
67.05508	2.9
69.03438	2.7
69.07079	3.7
71.04983	0.8
71.52650	0.4
79.05492	3.6
81.03420	0.9
81.07062	10.1
83.04980	1.5
83.08635	1.0
85.02893	0.4
85.06535	1.4
91.05483	3.0
93.07058	5.7
95.04972	0.8
95.08069	0.6
95.08618	5.7
97.02876	0.7
97.06548	2.8
99.08080	0.9
105.07035	4.7
107.08602	5.6
109.06533	2.0
109.10157	2.5
111.04454	4.0
111.08092	0.6
113.05986	0.8
113.09646	0.4
117.07034	1.2
119.08598	4.0
121.06520	2.9
121.10149	4.7
123.08058	1.4
123.11749	0.7
125.06001	1.5
125.09617	4.2
125.10328	0.4
129.07019	1.2
131.08574	6.8
133.10138	6.9
135.08124	1.0
135.11688	1.3
137.09644	0.6
139.11191	3.8
142.07796	1.3
143.08566	5.3
145.10126	6.6
147.01680	0.4
147.08162	0.5
147.11707	2.5
149.09654	2.0
149.13261	0.5
151.11227	0.7
153.12782	0.5
155.08568	1.5
157.10132	12.2
157.36438	0.4
159.11710	3.5
161.09601	0.8
161.13268	0.8
163.11211	3.8
165.07054	0.5
165.12784	1.6
167.10696	2.2
169.10165	1.7
171.11716	6.6
173.13258	1.5
175.11172	0.5
181.10089	1.0
181.12224	3.1
183.11699	1.1
184.12483	0.5
185.13240	2.6
187.14784	0.6
191.14250	0.5
195.11716	0.9
196.12573	0.4
197.13304	1.3
198.13991	0.6
199.14890	1.0
201.16319	0.8
209.13289	1.3
211.14873	4.3
213.16399	21.7
225.16451	0.6
227.17828	0.6
229.15901	3.4
229.19563	0.8
231.17416	4.3
235.14914	0.8
239.17917	0.6
241.19482	0.5
251.18040	2.6
253.19449	0.9
255.17433	0.5
269.19135	2.7
279.21179	1.3
287.19986	0.7
297.22183	1.1
315.23322	2.5
339.23172	0.5
347.15436	0.7
377.28317	0.6
395.29385	6.0
413.30536	100.0
414.30585	2.4
416.66187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
69.67135	3.0
70.06577	0.9
74.06071	1.9
79.03552	0.5
84.08111	0.6
102.05521	1.6
119.03559	2.4
120.06579	9.9
136.06194	100.0
137.04573	1.3
162.04121	66.7
219.01875	0.6
247.99321	0.6
268.10406	1.0
281.09946	59.9
413.14053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2103
Annotation	ADAPALENE
Peak:m/z	Relative Intensity
53.03934	2.1
53.04951	0.9
55.01865	2.6
55.05511	5.3
58.06588	3.0
58.99579	6.8
59.04964	1.0
60.80181	0.9
62.61744	0.9
65.03938	2.2
67.05240	0.8
67.05517	9.7
69.03421	4.2
69.07082	6.7
70.06594	0.9
70.20963	3.8
71.04978	2.3
71.62557	1.0
73.01134	3.5
75.02682	1.3
76.02238	8.0
76.03989	3.0
79.05500	12.4
81.03428	1.1
81.07061	31.2
81.41213	1.0
83.04982	5.8
83.08651	1.2
84.04498	1.6
84.08161	2.7
86.00642	8.3
86.99040	3.3
88.02213	4.9
91.05495	11.0
93.06484	1.9
93.07044	26.7
94.06582	1.9
95.04971	2.6
95.08612	13.7
97.02888	1.1
97.06544	4.9
97.10165	1.2
98.00702	0.9
98.06075	2.6
99.02677	9.8
100.02222	1.7
101.04240	1.9
103.05504	0.9
105.07037	16.5
107.08594	8.3
108.08115	1.8
109.06527	4.8
109.10153	4.6
110.06036	4.6
110.09660	1.2
111.02665	1.6
111.08109	1.5
112.03966	1.3
113.04208	0.9
114.03785	1.0
116.01683	19.5
116.05286	1.3
116.07074	1.6
117.07023	3.2
119.08582	16.1
120.08121	2.1
121.06508	3.7
121.10151	22.2
122.05993	1.2
123.08071	4.5
123.11684	1.8
124.07622	1.9
125.04228	1.0
125.09636	5.6
126.03739	2.1
128.06242	3.0
129.07008	2.5
130.04996	2.8
131.08588	5.9
132.08119	1.6
133.10150	11.3
134.09677	1.6
135.08051	1.2
135.10489	0.9
135.11716	2.3
136.07578	3.2
137.04185	1.1
137.06053	1.1
137.09631	4.6
138.03734	1.7
140.05330	2.8
141.07018	1.1
142.07799	2.0
143.02789	5.0
143.08557	6.1
144.01155	6.7
145.08978	1.5
145.10146	3.8
146.09691	2.7
146.10992	0.9
147.08087	6.9
147.11673	13.6
148.11250	3.5
149.09639	7.6
150.03748	3.4
150.09145	1.0
152.05376	1.2
154.06985	1.0
155.08620	1.3
156.04781	1.4
157.10158	5.4
159.08040	1.5
159.11713	3.2
160.11226	4.8
161.09624	13.1
161.13240	1.7
162.02222	10.6
163.11180	3.6
164.10736	2.1
165.09103	1.1
165.12846	1.3
168.04819	10.4
171.11723	1.5
172.11324	2.0
173.11969	1.3
173.13287	1.7
174.09071	1.2
175.11224	4.3
176.10742	1.6
178.06891	1.5
178.12285	2.6
179.04907	7.4
179.10602	1.1
180.08412	2.2
189.03296	10.1
189.16418	3.0
190.12260	2.0
191.10806	1.2
192.08466	2.3
193.06828	1.2
194.10022	1.5
198.09583	1.3
199.14830	2.0
202.05327	1.6
202.12514	1.3
203.14351	2.1
206.09984	9.1
208.11598	2.3
212.11000	1.4
213.16420	2.0
215.18011	1.6
216.17450	1.5
217.15889	24.3
218.10088	3.0
218.15355	1.8
219.07950	2.3
222.09445	1.2
231.08093	1.2
233.15446	2.1
234.18608	1.2
235.16888	5.1
236.10995	10.6
243.08055	1.5
245.09590	4.1
251.16409	1.7
253.06290	2.5
254.07437	1.4
271.07556	3.9
274.16333	1.4
283.10587	1.0
292.17276	24.6
301.12125	1.4
309.12643	10.4
310.18347	4.7
320.74872	1.0
321.12640	2.5
327.13797	1.2
339.13712	7.2
367.19183	2.8
369.09747	4.0
377.18961	12.3
395.20016	100.0
413.12326	2.3
413.21072	60.7
413.29803	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	413.2173
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
51.09544	4.5
51.34989	3.8
55.01869	5.2
55.05519	6.8
56.56273	4.5
57.03424	8.3
61.02940	5.2
62.14223	4.0
67.05502	21.7
69.03427	20.3
69.07072	12.8
70.06596	23.0
70.28474	10.6
70.28865	13.4
71.05006	7.7
72.08169	8.2
79.05492	22.6
80.36603	4.9
81.03426	16.3
81.07065	38.7
83.04977	6.7
84.04529	4.5
84.08153	6.3
85.02911	32.9
86.09710	41.1
90.01987	4.2
91.05473	32.1
93.07050	31.1
95.04966	7.8
95.08599	21.5
97.02901	17.5
97.06506	8.5
97.98581	4.2
105.07014	50.9
107.04874	7.1
107.08607	25.6
109.02900	12.8
109.06517	9.9
109.10172	12.3
116.07131	5.4
117.07034	19.8
119.08601	27.0
121.06502	22.6
121.10159	18.5
123.08083	8.2
126.70318	4.5
127.03951	9.5
128.06239	5.3
129.07031	14.6
131.08560	49.7
133.06499	8.4
133.10153	27.7
135.08052	7.7
137.05948	4.9
137.09608	9.7
141.07011	6.7
142.07834	5.5
143.08559	21.0
145.10143	47.9
147.08055	13.6
147.11652	11.6
149.09630	7.1
155.08585	14.1
157.10126	27.0
159.08089	6.7
159.11685	20.4
161.09650	13.0
161.13286	8.8
163.11223	11.1
167.08540	5.1
169.10092	11.5
171.11707	11.9
173.09631	14.2
173.13345	24.8
175.11230	22.4
177.12794	5.1
185.13153	9.7
187.11162	6.8
187.14783	34.0
189.12727	6.4
197.13319	25.0
203.14270	26.7
205.15897	7.6
212.30733	4.8
215.14354	65.6
221.15376	17.0
233.15378	100.0
251.16446	23.4
413.21042	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	412.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
55.01868	1.7
55.05516	4.9
57.03425	1.4
57.07061	1.7
57.38834	0.9
58.99599	1.0
62.23616	0.9
66.16776	0.9
67.05503	9.4
68.05023	1.0
69.03415	4.3
69.07068	7.6
69.42193	3.8
69.42633	3.7
70.06593	2.3
71.04984	1.4
72.04501	1.6
72.08141	3.1
73.02958	0.9
79.05502	13.9
81.07061	100.0
83.04984	2.7
83.08651	1.1
84.08128	1.8
85.02914	1.3
85.06544	1.9
86.06077	11.6
88.03979	3.5
88.11251	1.0
90.60835	1.1
91.05482	11.4
93.06493	2.0
93.07051	31.6
95.04948	3.0
95.08615	39.8
96.08160	4.8
96.52709	1.0
97.02928	1.0
97.06518	3.2
98.06037	6.5
98.09696	1.7
99.04450	3.6
105.03423	1.0
105.04501	1.2
105.07048	9.0
107.04923	1.6
107.08598	7.7
108.08102	2.4
109.06502	3.6
109.10135	5.4
110.06078	1.6
110.09678	1.3
111.08079	11.3
112.07568	1.7
113.47044	0.9
115.05461	1.6
116.10741	4.8
117.06989	2.7
119.08595	12.3
120.08120	5.0
121.06493	2.8
121.10148	29.2
122.02702	4.3
122.09642	2.3
123.04460	1.8
123.08041	4.3
124.07582	3.8
125.09630	5.7
127.07542	4.2
129.06981	3.5
129.10220	1.1
131.08542	2.0
133.10133	3.9
134.09645	3.5
135.08049	1.7
135.11726	2.2
136.11212	2.6
137.09625	11.6
139.11209	11.9
141.06934	1.6
142.07756	1.1
142.08652	7.5
143.08504	2.1
144.09413	1.0
145.10124	5.9
146.02667	1.5
147.08093	6.5
147.11690	2.9
149.09608	1.6
151.11205	1.2
153.07063	1.4
153.09111	16.9
155.08626	1.3
155.70033	1.0
157.10194	2.1
159.08005	1.0
159.11684	4.1
160.08679	1.1
161.09604	3.4
163.11171	3.3
164.10722	1.8
165.07040	1.3
165.09090	1.5
167.08473	1.8
169.12236	5.7
171.11650	2.2
173.13277	1.0
179.10687	1.2
180.13843	3.7
181.50282	1.1
182.15416	12.2
184.13371	9.9
189.12735	2.9
190.05450	1.5
190.12251	1.8
191.10664	1.2
194.15384	1.3
201.16428	1.5
203.14302	1.1
208.13348	18.2
212.16473	56.8
213.12871	0.9
213.16568	1.3
215.06946	1.5
215.14244	1.7
219.15080	1.1
226.14410	7.7
229.15872	3.8
244.15466	75.5
247.16870	8.6
252.68123	1.0
255.17490	2.2
273.18500	12.8
291.19418	2.0
334.23578	1.2
351.21518	2.7
352.24680	1.9
376.19336	2.4
394.20404	2.5
394.25671	1.8
412.21857	2.9
412.26910	58.1
413.19672	1.3
413.30453	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
54.19387	5.2
55.01905	5.3
55.05268	8.5
55.05516	100.0
57.03438	5.0
57.07061	6.6
67.05504	35.1
68.71423	5.1
69.03450	5.0
69.07068	22.4
69.16237	31.6
69.16660	21.5
71.04996	7.8
79.05508	34.7
81.07053	37.8
83.08626	61.6
91.05485	19.7
93.07072	34.6
95.04969	6.2
95.08612	32.2
97.06536	14.5
98.21562	9.5
105.07020	29.4
107.08597	21.9
108.39417	7.0
109.06512	7.6
109.10156	10.3
119.08579	16.8
121.06528	5.0
121.10168	16.0
131.08540	14.2
133.10129	21.5
135.11696	22.0
145.10114	15.2
147.11665	13.7
149.09612	7.6
149.13264	7.9
159.11708	12.9
163.11171	10.4
173.11783	6.4
173.13313	8.8
177.12787	7.2
181.12216	26.4
195.13835	15.8
199.13231	7.3
275.20190	34.8
326.67877	6.4
404.30811	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	412.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05510	1.4
57.07072	1.0
58.99588	0.6
62.69600	0.6
65.03936	0.7
67.05505	5.1
69.03436	5.0
69.07072	1.8
69.61848	4.1
72.08147	1.2
77.03849	0.8
79.05493	9.8
81.07059	100.0
83.04974	2.5
84.08141	0.9
85.06551	2.3
91.05477	6.9
93.07047	29.4
95.04996	1.8
95.08612	28.3
97.02876	0.9
97.06525	1.1
100.02203	0.8
103.23190	0.7
105.00124	0.8
105.07024	5.5
107.04983	0.9
107.08598	7.8
109.06529	1.8
109.10177	3.5
109.67950	0.6
111.04396	0.6
111.08097	12.0
117.07040	1.6
119.08558	5.5
120.08084	3.6
121.06514	2.8
121.10146	27.3
122.02726	4.0
123.04417	0.9
123.08070	0.7
125.09611	3.3
127.07594	5.0
131.08557	1.9
133.06538	0.8
133.10127	3.0
135.08014	1.6
135.11687	1.4
137.09625	8.2
139.11186	15.2
143.08543	1.4
145.10156	4.8
146.02702	1.8
147.08058	2.3
147.11700	2.4
149.09633	2.1
149.96666	0.7
153.09109	20.7
153.10364	1.1
157.10156	1.2
159.08092	1.0
159.11742	2.5
161.09654	2.4
161.13252	2.0
161.40134	0.8
163.11185	2.7
167.10669	1.4
171.11691	2.4
173.09645	1.9
175.11154	0.8
179.10602	1.0
185.13229	1.3
187.11110	1.5
187.14888	1.5
189.05582	0.8
189.12744	3.8
190.05533	1.0
191.10612	1.4
201.16353	1.2
203.14267	1.0
213.12733	0.7
215.14343	1.3
215.16339	0.7
217.22165	0.8
217.24298	0.8
229.15886	5.0
231.13835	1.8
247.14493	1.5
247.16925	13.7
247.19473	0.8
255.17491	2.5
261.59064	0.6
273.18506	12.8
291.19550	4.3
350.17984	1.2
394.20303	3.3
412.21506	1.9
413.21387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55191	0.5
53.03943	1.3
55.01870	2.2
55.05508	1.9
57.03425	1.4
57.07069	1.4
61.02916	1.5
61.52318	0.5
67.05511	1.1
69.03440	6.9
69.07060	2.0
69.68459	2.6
71.01337	1.2
71.04996	10.9
72.47701	0.5
73.02912	2.2
73.06544	1.7
75.04482	0.6
79.05489	0.7
81.03424	5.7
81.07057	0.9
83.08633	1.6
85.02910	17.3
86.09677	0.6
87.00838	8.9
87.04472	0.6
87.08095	0.8
90.04835	0.6
91.05493	0.8
93.07050	0.8
95.04965	1.8
97.02904	7.9
97.06544	4.1
99.04472	3.3
105.01878	6.9
105.07059	0.6
108.08112	0.6
108.16134	0.5
109.02898	5.4
109.10173	4.0
115.05432	0.6
120.08081	0.6
123.04417	0.8
127.03931	12.1
127.11201	24.7
129.01869	0.7
129.07024	1.2
131.08522	0.7
135.09735	0.6
141.06978	1.4
142.07715	0.7
143.08582	0.8
145.04973	5.6
145.12245	100.0
146.12527	0.9
147.04431	0.6
152.06252	0.7
157.06512	0.5
159.02881	3.4
159.08104	0.7
160.05225	1.3
161.05986	7.2
163.03891	3.5
165.06854	0.6
167.08574	3.9
169.06485	1.9
170.07390	0.5
173.06015	1.4
174.06795	1.4
175.03984	0.8
175.07567	3.4
184.05214	0.9
185.09793	0.7
187.07565	1.9
189.04027	0.6
189.05508	3.8
189.09097	8.6
195.08073	4.6
197.06033	1.5
198.06744	1.1
200.04721	1.5
203.07082	2.8
203.10693	2.0
212.04655	0.6
213.03818	0.7
213.09123	9.6
215.07045	11.6
215.10692	1.4
217.08667	2.1
217.13702	0.6
226.06358	0.7
231.05046	3.0
231.10178	4.6
241.08604	3.0
248.07169	0.7
249.06186	0.6
259.09689	26.1
260.10208	0.6
276.06500	0.7
280.18942	0.6
366.22754	1.9
393.11929	0.9
410.09116	1.2
410.25577	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	410.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84435	4.1
55.05517	100.0
59.47014	3.9
65.14813	3.9
67.05520	22.8
69.07069	18.1
70.36269	10.4
70.36628	8.6
79.05506	16.5
81.07068	30.7
83.08627	65.1
91.05483	19.6
93.07066	26.3
95.04987	7.4
95.08630	21.4
97.06534	15.3
105.07050	20.2
107.08612	17.1
109.10162	7.7
116.56292	3.9
117.07028	9.4
119.08598	14.8
121.10147	11.1
123.11635	5.0
131.08563	8.2
133.10149	19.7
135.11713	13.1
145.10120	7.5
159.11717	6.4
161.13333	6.4
163.11174	7.2
173.13300	8.2
181.12265	18.0
195.13832	6.1
212.11162	4.1
263.20123	6.4
275.20071	37.9
298.97342	5.0
307.57278	4.9
357.27698	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	410.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05504	3.4
62.91834	1.1
67.05505	7.4
69.03423	3.2
69.07065	5.1
70.06596	4.3
70.76823	1.6
70.77145	2.7
71.01355	11.2
79.05484	3.7
81.03426	1.8
81.07059	1.6
83.04992	2.0
83.08611	1.7
84.08144	1.7
85.02904	2.8
86.09721	1.5
91.05481	3.2
95.04967	15.8
95.08590	1.8
97.02911	2.0
97.06544	21.6
105.07041	3.6
109.02874	3.2
115.05471	2.5
117.07034	1.6
120.08134	3.5
123.04420	3.0
125.61288	1.3
127.03909	2.5
129.07053	2.6
131.04846	1.5
131.08545	2.6
133.06537	2.1
141.07005	6.2
143.04941	3.6
143.08600	3.6
145.02808	1.8
145.12114	1.4
145.63921	1.5
147.04427	3.4
148.05255	1.6
149.06065	1.7
157.06490	2.6
157.10132	4.0
158.82881	1.4
159.04391	1.6
159.07999	1.9
160.05215	11.7
161.05994	39.5
163.03915	28.9
164.48042	1.6
165.05481	2.2
167.08597	5.0
169.06522	5.2
171.08066	3.1
173.05968	6.1
174.06783	2.4
175.03946	5.6
175.07559	7.0
176.04536	1.6
177.05318	1.7
184.05228	3.0
185.06033	4.8
185.09604	4.5
187.07558	4.9
189.05502	9.3
189.09120	42.8
195.08049	10.0
197.05908	2.0
198.06732	1.6
203.07101	2.3
203.10683	11.9
204.08041	1.5
205.08435	2.1
209.04405	2.6
213.09094	18.1
215.07031	50.3
217.08630	8.2
220.07539	1.8
231.10170	12.9
232.07661	2.0
241.08641	4.3
248.07018	5.0
250.08717	3.5
252.09323	2.5
259.09674	100.0
276.06598	3.0
277.10660	3.2
294.07629	3.7
294.45746	1.3
375.10767	3.3
410.09052	9.6
410.25299	6.0
413.51285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
54.70042	2.0
55.01870	3.6
55.05515	17.7
57.07067	7.3
59.04997	4.3
59.07114	1.6
65.03959	2.5
67.05507	23.5
67.84850	1.6
69.03438	10.5
69.07089	8.4
71.05003	2.0
72.77695	1.5
79.05499	24.9
81.03392	2.1
81.07065	38.7
83.04977	6.2
83.08609	5.8
85.06550	3.9
91.05482	39.4
93.07047	53.4
94.30726	1.7
95.04980	49.2
95.08606	34.6
97.06544	11.5
100.67693	1.7
103.05476	3.8
105.07037	100.0
107.08598	25.7
108.05738	2.3
109.06514	15.0
109.10144	9.3
111.08035	3.2
115.05442	4.6
117.07021	15.7
119.08590	63.5
120.09341	2.1
121.06525	20.6
121.10139	18.8
123.08057	23.0
124.40402	1.9
125.09587	2.4
128.06236	4.9
129.07025	10.0
130.07779	5.2
131.08578	29.8
132.09323	3.6
132.36496	1.8
133.06502	6.4
133.10129	20.1
135.08080	17.8
135.11690	5.1
137.09619	9.7
139.11197	2.3
141.06989	5.6
142.07787	14.3
143.08568	18.7
144.09358	4.2
145.06516	2.8
145.10124	44.0
147.08047	18.0
147.11697	28.9
149.09657	9.7
151.07547	23.5
153.07043	2.9
153.09090	2.0
155.08557	10.9
156.09358	7.5
157.10127	24.1
159.08084	6.2
159.11700	22.4
161.09612	9.8
161.13272	5.0
163.11189	6.8
165.07076	3.2
165.09123	31.7
167.08560	4.3
168.09375	4.0
169.10114	18.0
170.10788	3.5
171.11700	14.4
173.09653	5.0
173.13316	4.1
174.10399	2.2
175.11188	24.3
175.14856	2.7
177.09137	4.0
179.08519	2.9
181.10133	6.4
181.12247	4.9
183.11693	14.5
185.13306	5.8
187.11211	3.8
187.14842	4.3
189.12766	7.7
191.10612	4.1
191.14368	5.3
193.10110	2.3
194.10991	2.2
195.11723	5.2
197.13248	4.4
199.11169	4.4
199.14746	3.3
201.12759	10.0
201.16476	2.9
203.14348	15.0
207.11870	3.5
207.13860	9.9
209.13420	4.2
209.15381	2.9
211.11198	2.2
211.14766	9.1
213.12793	2.3
215.14378	2.2
219.11691	2.2
219.13777	2.2
221.15367	77.8
223.14925	3.5
225.16470	3.2
229.15929	5.2
229.44342	2.0
231.13942	3.2
233.15442	4.5
234.16136	10.6
235.14897	3.3
241.15985	3.8
251.17905	2.4
253.15739	2.4
267.17554	2.0
286.19534	3.8
287.20059	9.6
297.53391	1.7
299.20364	2.0
300.20905	3.9
329.21179	7.6
335.20190	2.0
337.07816	2.0
353.21326	2.3
363.80377	1.9
373.25174	2.9
391.26324	11.0
409.27390	81.3
410.28046	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.99387	2.4
53.03937	7.6
55.01876	4.9
55.05508	18.5
57.07069	10.7
59.04999	3.8
59.12837	2.5
67.05511	23.3
69.03418	6.5
69.07056	8.6
70.67625	8.7
71.04967	3.2
79.05495	29.4
81.07063	36.1
83.04967	5.6
85.06532	4.7
91.05494	47.1
93.07054	54.3
95.04979	51.6
95.08617	32.9
97.06525	14.9
103.05469	4.8
105.07034	100.0
107.08614	32.1
109.06532	18.4
109.10149	20.5
111.08089	4.9
117.07030	14.3
119.07819	4.7
119.08594	67.6
121.06514	20.4
121.10193	16.9
121.10896	3.4
123.08061	19.7
128.06241	6.9
129.06978	8.7
130.07800	5.7
131.08536	22.4
133.06509	3.2
133.10150	21.7
135.08064	13.9
135.11670	5.6
137.09624	10.1
141.06972	6.7
142.07811	14.4
143.08583	21.1
144.09343	3.8
145.06505	3.4
145.10120	46.8
146.10930	3.4
147.08034	19.3
147.11707	27.2
149.09596	12.8
151.07559	22.9
155.08554	10.0
156.09366	8.4
157.10164	24.5
159.08060	7.8
159.11681	12.6
161.09644	10.4
161.13219	7.9
163.11214	5.0
165.09146	39.3
167.08600	5.9
168.09326	4.0
169.10155	16.9
170.10899	5.2
171.11673	17.2
173.09634	6.1
173.13306	6.3
175.11198	26.3
177.09047	3.7
181.10139	7.2
181.12209	7.1
182.10895	6.0
183.11710	16.8
185.09686	3.8
185.13257	8.1
187.11153	4.3
187.14819	4.1
189.12775	8.4
193.10068	3.6
195.11707	5.2
196.12413	3.2
197.13229	6.1
199.11198	4.2
201.12720	8.0
201.16350	4.2
203.14342	15.0
207.11810	3.4
207.13852	10.8
209.13341	4.7
209.15341	5.7
211.14827	7.8
213.12732	3.9
213.16370	4.7
215.14372	4.1
221.15367	79.4
223.14783	4.2
229.15976	6.6
234.16151	13.8
235.14761	3.5
239.60373	3.2
252.51694	2.8
253.15973	4.8
286.19363	3.9
287.20047	8.8
317.21017	4.2
329.21326	6.7
383.82309	3.3
391.26303	9.8
409.27414	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01872	2.7
55.05516	18.2
55.60022	1.6
57.07073	6.5
59.04988	4.0
65.03961	1.8
67.05508	15.8
69.03442	5.3
69.07069	7.6
71.05003	2.5
77.03909	1.9
79.05497	24.4
81.07063	36.6
83.04982	5.9
83.08628	2.4
91.05482	36.7
93.07052	43.2
95.04972	57.9
95.08609	24.5
97.06524	8.5
98.21635	3.9
103.05473	2.6
105.04555	3.1
105.07037	100.0
107.05006	2.2
107.08595	21.9
109.06534	12.4
109.10180	9.3
111.08113	2.2
115.05472	2.8
115.35178	1.7
117.07020	11.6
119.08590	65.8
121.06513	21.0
121.10149	17.8
123.08086	15.3
123.11658	2.6
125.09695	1.6
128.06238	4.0
129.05324	2.0
129.07013	7.8
130.07794	4.9
131.08585	21.6
132.09348	3.0
133.06497	4.4
133.10136	18.3
135.08060	12.1
135.11696	5.7
135.76155	1.6
137.09622	7.8
141.07034	3.2
142.07820	10.8
143.08545	17.5
144.09319	3.4
145.06480	2.7
145.10132	42.8
146.10789	2.0
147.08049	15.5
147.11702	39.9
149.09596	11.9
151.07565	16.1
153.09100	2.7
154.07742	2.1
155.08563	7.5
156.09364	3.3
157.10153	19.2
159.08067	4.4
159.11740	14.4
161.09659	6.3
161.13280	5.7
163.11197	3.5
165.09126	31.0
167.08623	4.0
168.09296	1.6
169.10168	7.6
170.10893	2.5
171.11697	8.3
173.09622	5.2
173.13303	9.2
174.10460	2.0
175.11180	31.7
177.09131	4.3
178.09912	2.2
179.08594	2.8
180.09331	2.0
181.10124	5.7
181.12186	2.2
182.10921	2.9
183.11671	9.0
185.09644	2.6
185.13272	5.3
187.11179	4.7
187.14897	2.5
189.12794	5.0
194.10982	2.7
195.11679	4.9
196.12402	2.5
197.13170	3.1
199.11253	4.9
200.11937	2.2
201.12766	7.5
201.16383	3.1
203.14310	10.8
207.11888	4.1
207.13823	6.1
209.13255	5.8
209.15152	2.0
211.14838	3.5
213.12773	4.6
215.14310	2.8
219.13815	5.8
220.20683	1.7
221.15375	72.0
225.16312	2.1
229.15950	5.1
229.36713	2.3
229.81651	1.9
231.13785	2.6
233.13197	2.1
234.08040	1.8
234.16183	19.4
235.14790	2.1
253.15901	4.5
269.18869	2.0
286.19220	1.9
287.20071	5.9
300.20828	5.3
329.21069	6.7
373.25665	2.0
391.26492	8.1
409.27402	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.05267	1.8
55.05511	18.5
57.07065	5.1
59.04998	1.8
65.03941	2.6
67.05505	16.9
69.03430	7.5
69.07060	4.7
69.67522	4.6
69.67930	2.8
77.03925	2.3
79.05494	20.4
81.03411	2.1
81.06598	2.0
81.07057	30.7
83.04974	4.8
85.06539	1.7
91.04907	2.0
91.05481	34.4
93.06483	3.1
93.07047	36.8
94.97784	1.6
95.04375	2.8
95.04973	47.3
95.08624	23.7
97.06537	7.1
103.05472	3.4
105.04517	2.7
105.07036	100.0
107.04894	2.5
107.08603	24.0
109.06511	11.3
109.10164	7.0
111.08087	2.3
115.05438	4.4
117.07024	14.7
119.04945	1.8
119.08584	61.6
121.06525	14.2
121.10152	11.7
123.08085	14.9
123.11741	2.3
128.06210	3.5
129.07033	8.3
130.07779	3.3
131.08565	20.8
132.09384	3.3
132.52650	1.5
133.06488	4.9
133.10143	17.6
135.08060	13.3
135.11690	4.4
137.05971	1.9
137.09602	7.3
141.06976	3.6
142.07787	11.0
143.08572	14.3
144.09378	3.9
145.06467	3.0
145.10126	33.2
147.08073	13.4
147.11700	37.3
149.09634	10.0
150.34305	1.4
151.07549	16.0
153.07016	2.0
153.09177	2.8
155.08577	10.6
156.09349	5.9
157.10153	21.2
159.08076	4.5
159.11685	12.0
161.09590	8.2
161.13167	3.2
163.11198	5.4
165.09117	25.6
167.08566	2.3
167.10664	1.7
168.09360	3.5
169.10181	10.0
170.10844	1.9
171.11667	10.1
173.09662	5.9
173.13324	8.2
174.10406	2.6
175.11191	30.6
177.09131	4.2
177.12720	1.6
178.07837	1.6
179.08508	3.0
180.09364	1.8
181.10130	6.3
183.11662	8.7
185.13307	4.0
187.11227	2.8
187.14816	2.1
189.12752	6.5
193.10228	2.1
195.11691	4.3
196.12433	2.5
197.13315	3.7
199.11215	2.8
201.09059	1.7
201.12764	6.4
201.16379	2.2
203.14325	12.6
207.11847	3.0
207.13806	8.4
209.13278	3.7
209.15218	3.1
211.14871	5.6
213.12834	1.6
215.14238	2.2
216.15288	1.9
219.13805	3.4
221.13512	2.5
221.15369	71.8
223.14914	1.6
225.16278	2.7
227.14366	1.5
229.15926	4.2
231.13872	3.2
233.15280	3.3
234.16159	16.5
235.14850	1.9
249.16367	2.2
253.15887	1.7
271.17120	1.8
281.18875	1.6
286.19400	3.4
287.20135	8.3
299.20047	2.2
300.20810	4.5
329.21005	7.4
335.20108	1.6
373.25272	2.9
391.26355	6.6
409.21967	2.6
409.27383	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49187	2.2
53.03942	5.3
55.01866	2.3
55.05517	16.3
57.03431	2.4
57.07072	7.9
59.04987	3.6
65.03934	2.6
67.05507	26.5
69.03423	6.1
69.07065	6.8
69.81945	12.4
73.96668	2.1
77.03840	2.1
77.50730	2.3
79.05501	21.4
79.12076	2.2
81.07059	39.5
83.04973	7.2
83.08572	3.2
85.06526	3.4
91.05488	41.2
93.07050	61.9
95.04977	52.6
95.08053	3.8
95.08614	34.8
97.06539	9.4
103.05456	3.7
105.07035	100.0
107.08602	28.0
109.06537	13.3
109.10153	9.4
111.08076	3.0
115.05476	4.1
117.07028	13.8
119.04939	4.2
119.08589	68.3
119.39420	2.2
121.06518	18.0
121.10146	16.4
123.08070	20.2
128.06203	4.2
129.06992	9.8
130.07805	4.9
131.08571	24.6
133.06464	4.1
133.10130	19.6
135.08069	19.1
135.11678	6.9
137.06017	2.9
137.09618	10.2
142.07787	12.7
143.08578	20.8
144.09332	2.9
145.10120	48.5
147.08055	17.4
147.11697	41.6
149.09598	12.1
151.07529	23.4
155.08522	9.0
156.09389	6.4
157.10135	26.4
159.08044	6.3
159.11685	13.9
161.09700	10.7
161.13217	5.3
163.11188	5.5
165.09129	35.9
167.08502	2.8
168.09348	3.9
169.10164	12.0
170.10841	2.9
171.11697	14.4
173.09583	4.3
173.13287	5.8
174.10435	2.0
175.11194	30.4
177.09113	2.5
179.08658	2.5
181.10168	5.8
181.12238	3.3
182.10876	2.5
183.11723	15.2
185.13321	4.0
187.11189	5.4
187.14864	4.1
189.12746	4.4
191.14395	4.6
194.10933	2.8
195.11714	6.0
197.13281	4.2
199.11183	4.5
201.12740	9.6
201.16377	3.7
203.14328	17.3
207.11937	3.0
207.13774	11.8
209.13368	4.4
209.15276	5.1
211.14870	6.4
213.12892	3.1
221.15373	81.2
223.14998	3.5
229.15823	6.9
231.13835	3.1
234.16188	17.9
237.16380	2.3
251.18127	4.1
253.15759	3.0
286.19370	2.5
287.20062	7.0
299.20245	3.5
300.20834	7.1
329.21176	6.6
391.26270	10.2
409.27393	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.54183	1.8
53.03932	6.7
55.01871	3.6
55.05515	17.9
57.07073	7.2
59.05011	3.3
65.03926	3.3
67.05513	22.3
67.43655	1.6
69.03430	8.3
69.07059	5.9
71.04975	2.1
77.03955	1.8
79.05501	24.4
81.07063	41.2
83.04991	4.9
83.08621	5.3
85.06539	3.5
86.98914	1.7
91.05489	44.6
91.42313	1.8
93.07051	57.8
93.07645	3.1
95.04977	51.7
95.08060	3.2
95.08615	34.6
97.06532	13.2
103.05499	2.7
105.07037	100.0
107.04903	1.8
107.08598	27.6
109.06528	13.6
109.10178	10.4
113.09674	1.8
114.67576	1.8
115.05470	4.7
116.06251	2.2
117.07028	15.7
118.07835	1.9
119.08590	70.2
120.09389	2.1
121.06498	19.4
121.10143	20.5
123.08090	21.1
128.06239	7.4
129.07008	11.0
130.07808	4.0
131.08577	29.0
132.09401	2.3
133.06509	3.5
133.10146	22.3
135.08061	11.2
135.11713	4.8
137.09631	7.9
141.06998	7.0
142.07817	15.8
143.08551	18.7
144.09351	7.4
145.06516	2.3
145.10143	44.7
146.07240	2.0
147.08060	23.2
147.11697	34.0
149.09628	12.3
151.07541	21.1
153.06946	3.9
153.09033	2.0
155.08586	8.1
155.10748	2.1
156.09351	8.2
157.10143	28.2
158.10844	1.8
159.08034	8.6
159.11703	14.3
161.09616	9.4
161.13231	3.9
163.11215	5.7
165.09128	30.4
166.07802	2.4
167.08557	3.9
168.09384	5.0
169.10118	13.8
170.10956	3.3
171.11662	9.5
173.09633	5.2
173.13272	10.4
175.11198	26.9
177.09122	4.1
179.08540	2.6
180.09430	2.7
181.10141	7.8
181.12210	2.7
182.10936	3.4
183.11716	13.5
185.09700	3.6
185.13295	7.7
187.11221	5.3
187.14873	3.0
189.12799	4.9
191.14357	4.0
193.10062	2.1
195.11783	4.8
196.12517	4.0
197.13321	6.5
199.11205	5.0
199.14786	2.2
201.12679	8.8
201.16412	4.4
203.14322	13.1
206.10870	2.1
207.11768	4.0
207.13861	7.6
209.13292	6.0
209.15436	4.7
211.14842	5.2
213.12798	2.6
213.16417	1.7
219.13852	4.6
221.13319	5.4
221.15359	80.7
223.14835	5.4
225.16376	4.1
229.15918	6.7
230.71426	1.8
231.13821	2.4
233.13277	2.3
233.15414	3.4
234.16174	14.3
235.14839	3.2
241.15976	2.2
251.18004	1.9
253.15904	3.9
267.17517	2.4
286.19318	5.1
287.20071	7.6
300.20963	6.6
308.21298	1.9
329.21292	5.9
391.26529	7.9
409.27435	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05510	1.3
57.03439	0.6
57.07042	0.5
59.05021	0.5
67.05518	2.3
69.03407	0.5
69.07071	3.3
70.06581	0.7
70.27247	0.5
71.05000	3.3
75.07760	0.5
79.05494	1.7
81.03416	0.7
81.07060	2.6
83.08637	1.2
85.02899	1.9
85.06550	8.4
86.09698	0.9
91.05473	1.4
93.07050	5.6
95.08622	5.7
96.37263	0.5
97.02887	0.6
97.06539	1.2
98.21555	1.0
99.08106	4.9
105.07037	1.4
107.08607	8.5
109.10165	14.4
111.08074	0.9
113.06012	1.6
119.08578	4.5
120.08093	0.4
121.10161	2.0
123.11692	2.7
127.03963	0.5
127.11185	1.5
128.21356	0.5
131.08499	0.6
131.18510	0.5
133.10150	4.2
135.11699	23.5
137.09613	1.3
139.11195	0.9
147.11707	0.8
149.13272	5.2
151.14824	1.8
153.12743	12.4
165.12804	0.5
167.14314	1.4
173.09598	0.5
175.14825	9.1
193.12271	0.7
193.15915	2.0
201.09105	0.5
211.16943	100.0
212.17265	0.8
215.14041	0.5
229.08696	1.3
251.86539	0.5
256.56845	0.6
257.08035	0.9
279.36185	0.5
408.19574	0.5
409.18246	1.3
421.43011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06597	19.3
71.04445	4.0
71.06912	2.1
72.08195	1.5
75.59164	1.5
75.91790	1.7
84.08144	1.6
91.05483	2.2
113.68955	1.6
118.06544	22.0
120.08134	2.8
132.08109	4.9
136.07486	2.0
142.06535	3.3
143.07332	2.8
144.08119	11.6
146.06018	59.4
148.16286	1.6
159.09210	5.7
166.07251	3.9
170.04326	1.7
170.06006	3.6
176.51294	1.5
188.07072	100.0
197.12799	2.2
205.09734	39.8
310.17505	1.8
409.21252	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
52.18059	0.4
55.01858	0.4
55.05488	0.8
55.85542	0.4
58.62419	0.4
67.05511	2.3
68.81164	0.4
69.07065	0.8
70.06599	0.4
71.41216	0.9
79.05493	1.6
81.07049	2.6
85.03677	0.4
91.05484	1.0
93.07031	1.8
95.04959	0.8
95.08605	1.8
97.06563	0.6
105.07022	1.5
105.42422	0.4
107.04907	0.6
107.08572	1.4
107.51391	0.4
109.10150	1.6
115.80557	0.4
117.93214	0.4
119.08571	1.0
121.06541	0.6
121.10142	0.8
123.08018	0.5
131.08588	0.6
133.10059	1.0
145.10112	0.9
147.08005	0.5
147.11729	0.7
149.38106	0.4
161.09659	0.5
275.20093	2.2
295.15164	0.7
309.16843	0.7
343.41507	0.5
360.50244	0.4
409.25650	100.0
410.20898	0.5
410.25922	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	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
67.05507	3.5
69.07064	1.0
71.04952	0.7
71.53240	0.8
79.05493	1.9
81.03416	1.6
81.07054	2.5
81.07471	0.6
83.08567	0.8
91.05468	1.9
93.07050	2.2
95.04949	0.9
95.08601	1.5
97.06534	0.6
99.45462	0.6
105.07082	1.4
107.04967	0.8
107.08606	1.4
109.10159	1.3
112.52953	0.7
119.08571	1.7
121.10150	0.8
133.10141	0.7
135.11725	1.0
145.10153	0.9
169.10339	0.6
183.96042	0.6
202.31639	0.6
409.25647	100.0
410.25970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2564
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
53.03930	0.6
55.05506	1.9
57.07082	0.7
67.05504	5.2
69.03412	0.5
69.07063	3.0
71.52946	0.8
72.70657	0.5
79.05486	3.3
81.07073	8.3
83.04977	1.2
83.08609	1.4
85.06512	0.4
91.05494	4.1
93.07049	6.7
95.04981	1.1
95.08617	8.8
95.41451	0.5
97.06543	1.1
97.10196	0.7
99.08109	1.0
105.07036	6.0
107.08610	8.7
108.08942	0.6
109.06514	1.6
109.10163	7.7
111.08112	1.3
113.48001	0.5
117.07037	1.0
119.08594	5.6
121.06503	0.6
121.10160	7.7
122.10487	0.9
123.08092	0.6
123.11702	2.7
129.07050	0.6
131.08548	2.7
133.10144	5.4
135.11711	3.3
137.09589	0.6
137.13263	0.7
143.08597	2.0
145.10133	4.4
146.10474	0.9
147.11716	2.5
149.13251	2.9
151.11232	0.9
157.10150	1.1
159.11734	3.1
161.13277	2.1
163.03815	0.6
163.11128	1.0
163.14848	1.7
171.11815	1.0
173.13297	2.3
175.14857	3.4
177.16388	3.0
182.10376	0.5
183.11809	1.0
185.13321	0.6
187.14833	9.6
188.15210	1.4
189.16461	2.6
191.11124	0.5
191.17949	1.4
193.15865	1.1
197.13344	0.6
199.15010	0.5
201.16425	2.3
202.71793	0.5
203.17982	2.1
205.15842	0.7
213.16402	2.1
215.18005	1.3
217.19518	3.1
219.17427	1.0
227.17981	0.7
241.19493	0.7
245.22826	0.8
257.22797	0.8
275.20181	1.5
295.15460	0.6
349.74155	0.5
363.30338	0.8
391.33588	1.4
409.25681	100.0
409.33752	9.6
410.25952	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	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	26.9
56.05028	1.1
57.98770	1.0
58.99583	15.9
61.01135	0.9
70.06589	1.6
70.26928	2.8
73.01117	1.2
76.02235	7.3
76.04015	3.9
79.05482	0.9
81.07050	1.9
83.06116	2.0
83.08624	41.6
84.04508	22.3
85.01125	1.3
86.99056	9.9
88.02234	2.8
99.05582	1.7
101.09676	2.5
105.00103	1.2
107.08601	0.9
115.05784	1.2
116.01682	56.3
116.29839	0.8
129.06598	3.9
129.07434	1.3
130.05000	4.4
142.03224	5.4
144.01154	30.7
145.06117	2.1
159.07068	2.0
159.08403	45.2
162.02213	100.0
163.02484	1.4
170.02734	1.7
176.11041	7.7
187.07831	1.1
234.75406	0.8
244.10152	2.3
245.06024	1.1
261.10779	1.1
262.11099	60.6
263.11551	1.1
279.13760	35.8
329.58344	1.0
333.14832	11.4
338.73276	0.8
390.16953	1.1
408.18002	8.7
410.42557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.7
68.05019	0.7
70.06596	100.0
70.09203	1.4
71.06924	0.4
72.08168	0.6
74.75346	0.3
84.08147	12.3
87.04468	0.5
91.68816	0.3
98.06059	0.7
98.97588	0.9
104.96221	0.4
116.07133	0.7
116.98607	0.4
130.08646	5.4
136.07578	0.7
158.11835	1.2
158.99561	0.3
165.05495	0.5
167.07100	0.7
177.00758	0.5
182.08206	0.6
204.24640	0.4
211.19969	0.3
219.14948	0.5
265.15509	5.9
266.13864	0.7
311.16019	6.3
317.18460	0.4
345.18103	0.8
347.19592	0.7
362.20807	1.1
363.19141	7.1
408.21347	59.7
409.21704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19572	1.1
53.03943	3.9
55.01873	8.6
55.05503	3.2
56.96568	2.2
57.03439	7.4
61.02927	7.4
67.05488	3.0
68.99795	2.2
69.03436	33.8
69.07058	5.1
70.62894	2.8
70.63216	1.1
71.05000	6.0
73.02918	6.5
74.38455	1.2
79.05518	2.6
81.03423	26.1
81.07055	4.5
83.04970	2.1
83.08630	3.4
85.02913	100.0
85.47878	1.1
87.00838	35.8
91.03958	2.0
91.05475	2.9
93.07025	3.1
95.08601	2.3
97.02905	26.2
97.06506	3.3
98.21462	1.1
98.97582	1.2
99.04448	14.2
99.08110	1.2
105.01873	51.9
105.07056	1.7
107.04941	1.1
107.08606	1.6
108.04483	3.8
109.02895	26.3
109.06547	2.2
109.10101	1.6
111.04504	1.2
114.60307	1.2
117.01865	2.5
121.06374	1.2
126.05483	1.5
127.03928	69.6
127.99631	1.1
129.01862	4.2
135.08055	2.0
145.04973	36.1
147.02890	3.7
151.07495	1.7
153.12790	1.9
159.02908	14.9
183.13850	1.9
185.06577	1.2
189.03964	4.5
191.07051	1.3
213.03929	3.6
215.14056	1.8
230.06548	1.3
231.05014	25.5
248.07649	2.3
249.06123	6.6
251.16446	4.4
337.16501	5.3
355.17654	2.1
408.20129	2.0
408.27328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
65.40129	1.6
67.05519	7.6
69.03434	3.7
69.07065	14.7
70.06599	4.3
70.57233	5.4
71.04999	7.0
72.08150	2.7
79.05504	4.7
81.03441	2.3
81.07065	9.5
83.08613	8.8
85.02906	7.1
85.06533	4.1
86.09715	3.2
91.05499	5.2
93.07050	12.5
95.04995	2.3
95.08602	18.6
96.98541	1.7
97.02907	4.1
97.06535	17.2
99.04459	4.8
99.08088	2.5
105.07040	9.6
106.89597	1.6
107.08595	16.7
109.06506	8.9
109.10173	23.7
111.08150	1.6
111.11752	2.5
115.07573	8.9
119.08591	17.7
121.10160	7.2
123.08083	8.0
123.11735	10.5
127.03974	2.3
133.10147	32.0
135.11707	34.5
137.09621	4.7
147.11711	4.4
149.13263	14.4
153.12819	2.7
175.14832	49.3
177.16412	5.9
193.15903	65.8
211.16948	100.0
221.10423	2.0
228.79234	1.6
274.10748	1.9
408.19052	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	407.3522
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05507	3.1
57.07063	7.7
65.03934	3.7
67.05510	26.8
69.07052	7.1
71.04991	4.9
71.08646	8.6
77.03925	1.8
79.05488	2.2
81.07046	4.8
83.08611	3.7
85.10185	4.0
85.29977	1.8
93.07072	1.6
95.04969	11.3
95.08602	4.9
97.10165	3.3
98.32477	1.8
99.04479	8.3
105.03370	2.0
107.34986	2.3
111.11684	2.6
113.05994	4.4
123.04427	14.5
123.08121	1.8
125.06010	7.8
125.13273	1.8
133.10132	1.8
137.09578	1.6
139.07500	2.5
141.05470	100.0
144.58224	1.9
145.80594	1.7
147.11641	2.0
151.11212	1.7
155.07018	3.0
169.02609	2.8
347.33234	2.4
375.26443	2.0
389.34192	9.7
407.35242	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	27.9
58.99586	13.8
61.01138	1.4
64.98947	0.9
70.68452	2.4
73.01138	1.6
74.52415	0.8
76.02237	4.8
76.04005	3.5
81.07060	1.1
83.06121	1.9
83.08626	38.6
83.09126	1.9
84.04054	1.3
84.04516	20.8
86.99057	12.1
88.02229	3.4
99.05585	0.9
101.09657	2.2
105.00121	1.3
106.13724	0.8
107.08590	1.3
115.05769	1.2
116.01682	49.5
129.06566	3.9
130.05006	5.2
134.66660	0.8
141.07385	1.0
142.03241	2.6
144.01151	29.3
145.06094	1.6
159.07056	1.4
159.08400	33.3
162.02211	100.0
170.02698	1.1
176.11057	5.2
179.04750	0.8
187.07912	1.0
205.08894	1.4
244.10136	2.1
262.11102	58.4
279.13742	26.1
333.14835	16.9
390.17041	1.0
408.17902	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69082	0.4
55.05501	1.3
57.03440	4.4
57.07084	5.9
59.21373	0.5
67.05508	2.9
69.07067	1.6
70.63210	0.4
71.08643	4.9
79.05511	1.0
79.64178	0.5
81.07056	3.8
83.08623	1.8
84.42876	0.4
85.10197	2.4
85.65076	0.5
89.06016	1.0
89.49896	0.5
91.05486	0.5
93.07062	1.1
94.98985	0.6
95.08614	4.4
97.10187	0.9
98.20657	0.5
105.07022	1.7
107.08638	0.6
109.10170	1.6
113.00024	88.8
116.07104	0.9
119.08572	1.6
121.10200	0.8
123.11755	1.1
128.06252	0.6
129.15877	0.5
133.10057	0.8
137.13271	0.6
139.01559	0.6
143.08656	0.5
145.10110	1.3
148.07912	0.4
154.02550	0.6
157.10135	0.6
169.02621	100.0
172.48775	0.5
182.70578	0.5
195.12300	0.5
239.23790	1.2
425.32962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2279
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
53.03963	4.5
55.05515	15.3
57.03437	34.0
67.05512	36.5
69.03427	16.9
69.07076	20.8
70.06557	9.3
71.01366	4.8
71.04997	42.1
71.52773	5.3
72.08163	7.3
73.02906	16.3
75.46188	3.4
76.26672	4.1
79.05503	25.6
81.03415	5.2
81.07061	51.5
83.08615	13.2
84.08157	5.7
85.02918	31.2
85.06544	24.4
86.09708	10.0
88.03942	3.3
91.05467	28.1
93.07034	49.5
95.04964	5.0
95.08617	59.6
97.02911	9.0
97.06540	14.7
97.10189	6.6
99.04479	3.8
99.08081	6.5
103.14436	3.5
105.07018	20.7
107.04986	5.5
107.08592	49.4
109.02861	4.4
109.06506	7.4
109.10159	39.3
111.08070	12.1
111.11726	5.5
117.07001	10.9
119.08601	31.5
120.08108	11.7
121.06478	5.7
121.10149	30.1
123.08090	8.5
123.11705	6.1
125.09603	11.5
131.08540	18.1
133.10144	16.5
135.08038	4.3
135.11653	19.6
137.09598	8.9
145.10094	10.7
147.11702	10.0
149.09637	6.0
149.13264	37.4
153.09079	5.6
157.10146	6.3
159.08188	6.6
159.11739	5.8
163.14851	40.5
173.13269	24.4
181.15901	14.6
191.14302	57.1
207.37846	4.2
209.15370	100.0
227.16418	13.7
243.08781	42.9
245.17557	4.8
272.33350	3.4
273.18738	4.2
280.77936	4.1
298.88107	3.6
378.15417	23.5
407.13165	10.1
407.19229	17.9
407.29218	4.9
422.84558	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.1
55.05521	18.4
56.05026	6.1
57.03442	3.0
58.99591	5.3
64.63057	1.8
67.05508	18.0
69.03066	2.0
69.03432	5.8
69.07066	13.1
70.06592	23.9
71.04997	10.1
71.40871	3.8
72.08138	5.6
76.02238	11.0
76.03973	2.3
77.02555	2.9
79.05497	20.5
81.03414	5.5
81.07063	26.7
82.07373	3.4
83.04986	13.2
83.08629	17.5
84.04511	18.4
84.08154	23.7
85.02903	10.8
85.04848	3.0
85.06548	15.9
86.06070	5.3
86.06875	1.9
86.09727	17.2
86.99029	2.3
87.02709	2.3
87.04475	9.9
90.37076	2.0
91.05471	11.8
93.07049	20.7
95.04967	4.9
95.08609	16.1
96.08942	2.3
97.02905	2.5
97.04799	2.1
97.06538	14.0
98.06053	3.8
98.97594	5.7
99.04389	2.2
99.08097	3.7
99.82908	2.0
101.06016	15.1
102.05553	3.8
104.07104	3.6
105.06961	9.4
107.04970	5.5
107.08600	12.2
109.06507	8.2
109.10165	7.4
110.33452	2.0
111.04443	9.9
111.08067	8.7
112.03986	1.9
113.04278	2.6
113.06004	3.0
113.09641	4.1
115.03932	2.8
116.01688	12.2
116.07034	2.4
116.98651	2.7
117.02005	1.8
117.07019	8.6
119.08567	8.6
120.08118	11.3
121.06503	8.3
121.10195	5.0
123.08067	3.8
123.11732	3.1
124.12085	2.1
125.05138	2.9
125.05996	16.1
125.08773	4.0
125.09636	54.2
127.03880	2.4
127.07590	4.5
129.05522	14.4
129.06958	2.1
129.09203	4.4
129.10228	18.1
130.05019	5.1
131.08585	14.4
133.10156	2.8
135.08054	8.3
136.07585	4.1
137.05957	8.9
139.07538	7.4
143.07033	4.4
144.01152	4.9
145.10149	7.8
146.10501	2.8
147.11728	11.4
149.05984	20.7
149.09633	8.8
150.09955	6.3
153.09108	3.6
155.08514	2.2
156.08453	4.8
156.10172	3.7
157.06749	3.1
157.08662	6.4
158.99687	4.8
159.08235	2.5
159.11671	4.8
161.06036	3.0
162.02225	14.2
163.02496	2.9
163.07564	7.3
166.08636	5.0
167.07028	7.3
173.13272	14.6
174.09413	3.4
175.09814	4.3
179.05002	3.9
181.04944	8.0
183.11685	2.8
187.07559	2.5
191.14322	9.6
192.11026	2.6
194.08311	3.1
197.06081	2.3
198.55263	1.9
201.12723	13.5
202.08759	1.9
207.13846	2.3
209.15436	3.6
210.12030	3.8
213.57977	2.9
215.10591	3.0
219.13814	26.6
227.12776	3.9
228.13077	13.4
237.14853	100.0
241.08673	5.3
243.10191	6.7
255.15926	21.4
259.11179	19.6
260.11481	37.2
262.11130	3.8
273.17001	9.4
278.12726	2.4
279.17633	2.2
315.09659	2.6
332.13577	3.2
350.55109	2.0
357.10843	2.8
371.22516	3.7
389.23569	27.7
406.67767	3.3
407.18881	10.7
407.26587	7.4
425.14761	7.4
426.14676	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90790	1.3
53.03935	2.1
55.01879	1.7
55.05507	4.2
57.03434	2.2
57.07075	3.2
58.23237	1.8
59.04995	6.4
61.02917	1.5
65.03947	1.8
67.05497	4.5
68.21503	1.4
69.03423	6.5
69.07071	10.8
70.06581	2.1
70.65538	3.2
71.05009	2.0
79.05497	17.6
81.03419	1.8
81.07063	14.0
83.04997	2.7
83.08630	2.5
84.08155	1.9
85.02908	7.5
85.06548	2.5
86.09713	3.2
91.05492	17.5
93.07047	19.2
93.61939	1.5
95.04947	1.9
95.08616	9.1
96.14939	1.4
97.02905	2.9
97.06526	3.2
97.10163	3.8
99.76766	1.4
105.07045	38.7
107.04981	1.7
107.08601	88.6
109.06512	4.5
109.10143	3.4
111.08078	1.7
117.07016	4.0
119.08595	15.8
121.06527	5.4
121.10153	23.3
123.08075	3.8
129.06999	2.0
131.08585	36.8
133.10133	32.8
135.08086	20.8
135.11702	6.6
139.11203	1.7
143.08467	2.0
145.10120	10.2
147.11699	42.9
149.09630	4.9
149.13264	20.7
151.11159	8.2
158.10919	4.2
163.11154	4.0
163.14841	19.9
165.12782	3.3
173.11768	2.7
173.13269	51.0
183.09604	1.4
191.14330	100.0
209.15392	37.1
227.16447	23.3
277.26971	1.5
388.35846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64693	2.1
55.05511	8.0
56.10988	2.1
57.07068	4.7
66.21825	1.9
67.05509	22.0
69.03394	3.2
69.07076	18.9
70.06598	2.3
70.70448	2.4
70.70776	4.8
71.04996	2.2
79.05502	8.6
81.03397	2.2
81.07059	73.9
83.08616	5.9
84.04523	2.5
85.02913	4.3
85.06551	15.4
86.09722	5.1
91.05484	3.5
93.07047	9.9
95.04944	3.0
95.08610	31.8
97.06526	3.0
97.10185	5.6
105.07037	8.7
107.04940	2.6
107.08575	15.0
109.06522	3.1
109.10162	61.6
111.08109	5.0
111.11761	2.8
119.08600	6.3
120.08099	4.7
121.10155	12.1
123.11717	90.6
125.09656	2.9
127.11255	3.7
133.10139	4.8
135.11713	7.2
137.13246	12.5
138.45419	2.0
139.11157	2.4
141.12784	3.2
145.10149	4.7
147.11693	5.7
149.13269	12.9
151.07556	2.5
155.10635	2.3
159.11742	3.4
161.13301	4.7
162.12770	6.0
163.14819	5.2
165.12912	2.2
167.14293	2.2
169.12233	3.7
172.33121	1.9
173.13202	2.9
177.16397	3.0
187.13312	14.2
205.19423	4.7
215.18004	3.7
219.21245	2.4
271.24231	10.7
277.25201	13.6
289.25269	28.3
292.15491	9.2
295.26343	30.4
307.26321	100.0
308.18646	2.9
325.27386	12.1
343.28311	3.0
406.26044	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	406.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74416	1.1
66.49409	1.3
70.66199	2.8
73.49522	1.3
79.52321	1.1
94.93017	21.0
96.92795	1.4
112.33076	1.3
128.59550	1.2
143.01848	1.7
222.94087	17.0
241.70851	1.4
242.88536	1.8
250.89484	2.2
260.89673	100.0
272.35553	1.3
315.01907	1.5
364.87653	1.5
407.05841	4.3
407.11636	1.4
407.17072	2.7
429.00894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96822	1.0
53.03942	4.8
55.01881	8.8
55.05523	1.7
57.03444	6.3
59.48006	1.2
60.37980	1.3
61.02921	5.3
67.05508	8.0
68.99781	3.2
69.03437	30.5
69.07067	3.3
70.06593	2.8
71.04987	6.8
72.08172	1.7
73.02916	4.7
79.05496	4.3
81.03423	24.8
81.07056	9.3
83.05018	1.6
84.04527	2.5
85.02913	100.0
86.09710	1.6
87.00833	36.7
91.03897	1.6
91.05490	2.5
93.07051	3.3
95.08591	2.8
97.02896	28.1
97.06512	2.2
99.04461	13.6
105.01882	60.1
105.07041	4.2
107.08579	3.1
108.04475	2.2
109.02892	25.9
109.06548	1.4
109.10184	2.3
111.08068	1.6
115.03961	1.5
117.01862	4.4
119.08575	3.8
121.10149	1.8
123.11742	1.6
126.05589	2.3
127.03924	67.0
129.01862	3.1
131.08566	2.1
133.10100	1.8
135.08076	1.7
135.11696	1.6
139.11209	2.0
145.04973	35.8
151.11223	2.5
154.08661	3.6
157.10156	1.6
159.02916	17.3
175.14606	1.5
189.04045	3.1
198.49374	1.4
213.04030	3.9
229.01106	1.5
230.06473	1.4
231.05011	21.6
231.13806	1.7
244.17130	1.8
248.07686	3.3
249.06104	6.2
249.14879	3.2
253.19238	1.3
299.63199	1.3
307.26367	4.5
310.92371	1.4
319.78098	1.4
325.27518	1.5
335.14871	4.7
353.15662	2.3
406.30106	3.0
433.19159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05505	9.8
57.03439	7.4
59.05013	5.1
67.05514	11.2
68.15971	2.4
69.03426	8.8
69.07068	31.2
70.06593	5.5
70.87173	4.7
71.04993	10.0
72.08147	5.1
73.02918	2.2
77.41821	2.7
79.05513	20.5
79.33264	2.2
81.03416	4.2
81.07055	22.8
83.04980	5.9
84.04525	4.5
85.02924	18.6
85.06563	6.8
86.09703	5.5
91.05486	17.7
93.07062	20.5
95.04990	20.3
95.08613	17.1
97.02873	4.1
97.06525	23.9
97.10171	2.6
99.04437	5.1
99.08127	5.8
105.07041	37.5
107.04987	2.8
107.08598	56.1
109.06525	17.6
109.10143	10.4
113.05996	16.7
115.05440	3.1
115.07540	5.9
117.07037	4.7
119.08584	20.3
121.06514	8.1
121.10147	35.5
123.08082	5.5
123.11686	3.8
125.09663	2.6
127.03944	4.2
127.07545	2.6
129.06940	2.7
129.60085	2.5
131.04889	2.2
131.08578	37.2
133.10132	49.9
135.08058	16.6
135.11707	8.8
137.09602	3.2
145.10121	12.1
147.08057	3.6
147.11708	32.8
149.09642	4.9
149.13283	14.8
151.11215	7.9
152.05724	4.1
153.09074	5.7
158.10918	5.1
161.13239	3.5
163.11253	6.9
163.14856	17.8
169.10181	2.4
173.13280	63.9
175.14796	3.5
177.12709	3.3
177.27219	2.6
181.04980	3.0
189.09161	7.2
191.10674	8.3
191.14320	100.0
207.72997	2.3
209.11761	10.4
209.15361	75.6
227.13020	3.5
227.16458	64.3
232.34349	2.3
259.11191	3.6
281.15369	5.0
285.07547	2.6
311.19907	6.4
349.21735	3.1
370.18539	4.2
388.19873	3.0
389.24548	3.0
406.18939	2.8
407.25778	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	406.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05512	3.9
56.80273	0.5
57.03434	0.7
57.07084	2.3
64.78252	0.4
67.05502	1.9
69.03416	0.6
69.07030	0.7
71.05019	0.6
71.52490	0.5
79.05479	1.5
81.07053	1.9
83.05000	2.6
85.06534	1.9
91.05489	0.9
93.07041	4.0
95.08616	4.4
97.02843	0.5
97.06532	1.8
105.07027	1.4
107.08603	5.8
109.06516	1.0
109.10158	2.1
111.04451	33.2
111.08112	0.9
112.95007	0.5
113.06075	0.8
117.06993	0.9
119.08619	0.5
121.06490	0.9
121.10155	1.0
125.06009	10.7
125.09560	0.6
127.07542	1.0
130.07796	0.5
133.10152	0.7
135.08052	4.7
135.11714	8.1
136.06190	0.4
137.13278	0.6
139.07553	1.3
145.10141	6.4
153.12758	1.7
163.11189	8.5
181.12248	100.0
182.12567	1.6
269.10684	0.8
288.29517	0.6
365.16446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05502	1.9
56.05043	6.1
57.03447	4.1
58.99592	9.5
61.01156	1.1
68.05035	0.9
69.07071	1.6
69.77797	0.6
70.06583	1.3
72.08150	0.6
73.01142	1.8
74.00657	1.6
76.02234	18.0
76.04003	2.1
77.64547	0.7
79.05490	3.4
80.05039	0.8
81.07061	15.7
83.06100	1.7
84.04515	24.0
84.08143	0.9
85.01158	3.0
86.00653	3.8
86.06091	1.0
86.99059	6.3
87.02717	5.6
88.02225	1.6
94.52045	0.7
95.08612	3.0
96.08122	0.7
97.01117	1.5
97.06528	2.0
98.06067	0.7
98.09703	11.7
99.05618	0.7
99.08099	3.6
101.00620	0.9
101.14729	0.6
102.05552	4.0
105.07018	1.8
108.36063	0.6
110.09698	3.1
112.03960	3.8
113.04256	5.8
114.03785	1.1
115.05776	1.9
116.01690	18.8
121.10161	0.6
122.09656	1.4
123.08054	1.4
125.61741	0.6
127.05812	1.2
129.06602	2.8
129.07430	1.1
130.05019	7.0
130.06895	4.9
130.08629	1.0
139.05765	1.8
142.03230	2.1
143.02760	0.9
144.01147	7.8
145.06059	1.2
149.09543	0.8
156.08437	17.8
156.10207	11.2
157.06839	8.1
162.02216	17.9
174.09496	10.8
175.14880	1.3
179.04872	8.0
187.05336	1.0
189.03329	1.1
209.11713	0.7
210.11290	2.2
216.06914	4.5
218.08202	1.5
233.05946	2.1
245.05956	1.2
259.11139	100.0
260.11652	1.2
277.12167	1.3
285.12665	1.8
286.33542	0.6
308.09143	0.8
313.12167	3.6
331.13333	6.4
362.08636	1.5
388.15454	1.3
388.23349	2.8
406.16379	5.7
408.47388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75369	6.1
53.03967	7.0
55.05518	45.4
57.03427	7.4
57.07084	12.9
66.47903	6.9
67.05506	45.6
69.07079	100.0
69.63605	10.8
69.64014	29.1
72.98482	5.9
79.05492	40.5
81.03426	12.0
81.07069	62.0
83.08631	41.9
91.05488	25.5
93.07057	41.0
95.05009	9.5
95.08617	63.9
97.06538	25.1
97.10183	37.2
105.07040	26.9
107.08590	27.5
109.06538	12.9
109.10159	26.4
111.11732	39.4
119.01645	16.0
119.08600	30.1
121.10170	31.8
123.08102	7.8
123.11692	15.3
129.06996	8.0
131.08665	7.3
133.10161	21.6
135.11707	28.3
137.05984	12.7
137.09615	8.6
139.11169	12.2
145.10223	9.7
147.11682	10.8
149.13254	9.2
151.11302	7.1
152.78709	6.5
153.12868	7.2
161.13368	10.0
167.07115	8.4
173.13257	8.7
176.62387	6.9
191.03818	9.2
217.19566	43.1
235.20515	41.1
253.21570	31.9
313.18225	6.5
387.25354	13.0
405.23019	14.5
408.69028	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	405.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03907	2.3
53.04136	0.7
55.01875	5.4
55.05513	9.1
57.03435	4.0
57.28341	0.6
65.03896	1.7
67.05511	16.6
69.03399	2.8
69.07072	11.0
70.19509	0.6
71.04951	2.4
71.38438	1.3
71.68221	0.6
73.06522	1.5
75.04452	0.7
79.01777	0.7
79.05499	26.8
81.03429	7.3
81.07056	14.6
81.07752	0.7
81.85435	0.6
83.04937	2.6
83.08612	4.4
84.04469	0.8
85.02866	1.5
85.06542	0.9
91.05484	23.6
93.03349	0.7
93.07049	20.2
95.04973	15.4
95.08620	7.1
97.06549	7.9
97.10123	3.0
103.05423	2.3
105.03352	2.2
105.07036	15.8
107.04950	11.3
107.08602	9.2
108.08051	1.1
109.02861	1.3
109.06522	4.0
109.10162	3.2
111.04433	1.4
113.05981	0.9
115.05401	2.4
116.06228	1.1
117.07030	11.9
119.04898	2.7
119.07841	0.7
119.08588	10.5
121.02908	0.8
121.06522	11.8
121.10141	7.4
123.04383	1.1
123.08010	2.6
125.05939	2.5
125.09631	3.3
128.06256	3.7
129.05441	1.9
129.06998	11.1
130.04977	2.2
131.04939	5.6
131.08575	18.6
133.06512	7.9
133.09451	0.5
133.10136	5.7
135.04401	1.1
135.08080	6.1
135.11682	1.3
137.05951	1.7
137.09557	1.2
141.07007	6.4
142.07738	1.7
143.07030	3.3
143.08554	9.7
144.05655	0.7
145.06502	7.9
145.10112	6.8
147.08066	6.0
147.11621	2.3
149.08566	1.0
149.09616	11.4
149.13255	1.2
151.07555	0.9
153.06973	1.7
153.09097	1.2
154.07739	1.5
155.08533	5.4
157.06522	3.6
157.10115	5.8
159.06833	1.2
159.08064	10.6
159.11674	5.1
161.05978	1.5
161.08292	1.1
161.09615	12.0
162.12732	1.6
163.07500	1.9
163.11160	1.6
165.06989	1.5
165.09074	1.2
167.07034	1.2
167.08517	2.8
169.06422	1.7
169.10107	5.8
171.08047	4.0
171.11674	5.9
173.09601	6.4
173.13222	1.4
175.07574	3.3
175.11214	3.3
177.09117	7.3
177.12682	1.5
178.07695	1.0
179.08516	1.4
181.04932	1.5
181.10065	3.2
183.08008	2.8
183.11671	4.2
184.08806	1.1
185.09662	3.6
185.13216	1.0
187.07506	2.8
187.11198	6.2
189.09068	1.5
189.11220	1.2
189.12614	3.8
191.10568	1.3
193.10150	1.5
193.12234	0.7
195.10123	1.5
195.11717	1.3
197.09634	4.0
197.13216	1.2
199.07472	0.9
199.11179	2.8
201.09109	7.9
201.12753	1.8
203.10680	3.6
205.12268	2.7
207.11670	2.0
211.11215	4.2
213.12737	0.8
215.10637	5.3
217.10382	0.8
217.12344	1.1
219.10001	0.8
219.13713	0.8
221.11559	1.1
225.12732	0.8
225.16283	0.8
227.12750	1.3
229.12195	4.5
233.11732	1.1
235.14842	0.9
239.12645	1.6
239.17903	0.8
247.13309	1.3
249.16455	0.7
259.14832	0.7
259.20651	0.7
267.17706	5.0
271.17111	0.9
276.23245	1.6
277.15808	2.5
277.21725	1.0
285.18442	5.6
287.16165	0.8
295.16956	14.8
303.19559	1.7
313.17984	100.0
314.18384	1.7
315.19540	1.0
321.16971	1.6
331.19070	7.2
343.78595	0.7
369.20517	1.9
369.24582	1.2
387.21664	31.6
387.25781	1.1
405.22726	38.0
405.27408	5.6
406.23160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	15.0
56.28483	2.2
58.06590	6.2
60.04525	3.1
69.03396	2.9
70.06586	8.8
71.52088	4.0
72.08154	10.6
73.02900	4.3
74.06086	87.3
84.04514	17.7
84.08144	4.1
85.02908	7.8
86.09711	98.8
88.03995	16.8
89.54751	2.2
96.04491	2.6
96.08102	5.4
98.02412	6.5
98.97576	8.7
100.03972	7.2
102.05536	4.4
111.50259	2.2
113.07162	3.9
113.10744	3.7
138.09174	7.5
141.10275	14.3
142.08656	2.6
152.10762	3.0
156.10204	17.0
159.07663	21.0
163.03923	3.9
163.58920	2.4
175.03883	3.3
177.00682	7.2
177.08711	83.2
183.11369	10.0
184.09705	4.4
187.07198	5.1
189.12300	2.1
195.01805	2.5
201.12355	100.0
207.06416	3.3
208.06880	5.4
209.07925	2.3
210.57799	2.3
215.13831	2.5
217.08240	2.6
221.87082	2.1
229.11861	42.0
235.09198	2.6
265.02411	3.5
274.10669	2.1
282.14511	3.1
284.16010	6.4
302.09848	6.3
312.15598	2.6
330.16663	13.6
369.17560	4.0
379.01172	2.4
387.18826	23.8
405.14124	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2121
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
50.48195	6.7
53.03926	14.2
55.01869	9.8
55.05505	23.6
57.03443	59.3
60.01192	7.8
67.05505	51.3
69.03435	20.2
69.07054	28.1
69.51037	50.4
70.06592	7.0
71.04990	59.4
79.05495	61.6
81.07070	55.0
83.04972	11.0
83.08598	19.7
85.02903	36.6
85.06554	14.4
89.06036	7.0
91.05479	75.2
93.07047	82.2
95.04955	19.7
95.08617	98.2
97.02896	13.7
97.06530	39.1
99.08100	18.3
105.07038	94.9
107.04947	31.4
107.08617	92.4
109.06533	52.7
109.10136	40.4
111.08075	22.8
113.05978	10.8
115.07579	32.5
117.07030	18.9
119.08601	56.9
121.06493	42.9
121.10125	15.8
123.08074	83.1
123.11675	8.9
124.08395	55.5
129.07031	16.3
131.08601	12.7
133.10149	57.0
135.08054	31.9
137.05981	18.4
137.09622	36.0
139.07549	29.1
143.08559	11.6
145.10130	18.7
147.08063	19.8
147.11707	86.5
149.09641	13.7
151.07614	8.1
151.11157	24.1
155.10645	22.7
157.08575	24.6
161.13327	42.3
167.07043	8.9
171.11690	7.7
179.14275	19.5
181.04951	16.5
181.12314	9.2
189.12747	56.2
199.39928	7.4
207.13831	100.0
211.08624	10.7
225.06567	20.6
225.10263	11.9
225.14893	50.3
233.08134	33.6
239.08133	30.0
245.12866	24.6
253.09795	12.5
267.07599	18.6
281.09204	25.3
299.10248	28.0
309.08676	19.0
327.09680	65.2
329.11313	8.0
345.10803	76.9
355.09375	8.5
373.10324	89.8
405.12885	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	405.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	8.6
55.05518	10.7
57.03426	2.9
64.02749	1.9
67.05501	21.3
69.03438	8.9
69.07073	18.4
70.06590	3.7
70.79864	4.0
71.04987	13.8
73.02893	1.8
73.05034	1.7
73.61715	2.2
79.05498	23.6
79.49143	2.2
81.03415	5.0
81.07062	48.4
83.04986	24.1
83.08608	8.7
84.08140	3.4
85.02898	7.5
85.06544	7.5
86.09692	3.7
87.00811	2.1
91.05483	22.2
93.07052	60.4
95.04974	18.9
95.08609	45.3
97.02905	3.5
97.06547	32.5
99.00820	2.3
99.04472	21.2
99.08074	3.9
100.27794	1.8
101.06013	2.1
103.05438	2.1
105.07041	38.4
107.04309	2.1
107.04964	7.8
107.08604	31.6
108.08192	2.0
109.02867	2.1
109.06519	29.3
109.10152	11.8
110.09678	4.2
111.04443	2.2
111.08099	25.0
113.05973	4.6
113.24162	1.9
117.07047	3.6
119.04984	2.1
119.08593	28.2
120.08086	5.6
121.06507	76.3
121.10143	8.1
123.04435	6.1
123.08052	12.8
123.11684	7.8
125.06004	18.3
127.03897	2.7
127.07548	12.0
129.06999	6.6
131.08549	7.1
133.06467	3.8
133.10150	22.1
135.04387	3.4
135.08064	16.2
135.11613	3.0
137.05977	7.6
137.09586	2.2
138.09114	10.7
139.07545	31.4
141.05457	2.8
142.07803	3.5
143.07085	9.9
143.08568	4.5
145.06448	2.5
145.10132	8.0
145.85364	2.2
147.08035	6.9
147.11697	61.6
149.09650	2.1
149.13245	3.7
151.07562	2.5
151.11180	5.5
155.06931	2.2
157.08604	16.1
157.10135	16.1
157.11441	2.1
159.06551	11.9
161.05923	4.1
161.09532	2.5
161.13245	11.6
163.11162	2.8
165.12758	19.3
167.07037	5.6
167.14304	3.3
169.12279	13.9
171.11665	14.1
173.08165	2.5
173.09605	3.0
173.13042	3.4
175.11189	36.1
179.07050	4.5
179.14366	2.7
181.04927	9.5
181.10117	3.3
188.07265	2.5
189.12756	24.3
193.12262	44.1
197.07118	6.3
199.08766	1.6
199.09378	2.6
199.11200	24.0
203.06865	1.9
207.13835	19.2
209.15465	10.7
211.08636	7.4
211.13280	31.1
217.12256	85.5
219.13908	1.9
225.06584	6.6
225.10193	5.2
225.14853	3.3
229.14319	7.7
233.08038	4.2
233.89513	1.9
235.13290	100.0
239.04582	4.3
239.08163	13.4
245.12878	11.2
253.10144	10.2
253.14363	78.1
257.09351	4.6
267.07596	8.6
271.10892	6.2
271.15445	4.3
281.09232	11.3
285.08612	2.6
299.07181	2.9
299.10294	19.6
309.08829	15.5
309.13052	10.9
311.10110	4.2
312.96219	1.8
327.09741	28.3
327.13336	3.5
329.11105	3.0
338.47241	2.4
345.10870	40.4
345.14740	1.8
351.14346	6.3
355.09317	5.4
369.15012	2.4
373.10266	40.8
373.14499	3.7
387.11084	2.6
387.21030	2.4
405.12531	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32877	1.0
53.03951	2.5
55.01858	0.9
55.05505	1.3
61.01922	0.8
64.48113	0.9
65.03945	7.1
67.05518	5.0
69.03422	4.4
69.07056	2.4
69.26187	8.0
70.06596	6.1
72.01009	1.1
72.08146	2.9
79.05498	7.3
79.45045	1.1
81.03417	4.9
81.07045	3.1
82.04179	1.6
83.04967	1.2
84.04501	2.1
84.08127	1.1
85.02900	6.4
86.09721	4.9
91.05478	3.5
93.03407	2.8
93.07056	2.0
95.04974	3.9
95.08588	2.4
97.02902	2.3
97.06517	3.8
99.04443	2.3
103.05451	1.5
104.07095	1.7
105.07016	1.7
107.04961	16.5
107.08566	2.5
108.02104	1.8
109.06522	2.8
109.10146	1.3
110.03656	3.4
111.04429	1.5
115.05477	5.7
117.07027	3.2
118.06596	1.2
118.62941	0.9
119.08596	2.5
120.67062	0.9
121.06504	2.2
122.03649	3.3
123.04437	2.6
123.08115	1.4
124.05195	2.3
125.05987	3.8
127.03911	3.7
128.06233	4.1
129.07019	9.3
131.04955	2.8
131.08606	1.0
133.06544	2.3
133.10132	1.8
137.05989	32.2
138.03116	2.5
139.07588	1.3
139.11128	1.2
142.02626	2.9
143.04924	4.5
144.05714	1.7
145.05107	1.0
145.06483	3.9
147.08055	2.9
147.11742	1.5
151.03909	18.4
151.05014	1.2
151.07555	1.4
152.04726	1.6
153.05452	3.4
155.06046	1.5
155.68741	1.0
157.06493	9.5
159.03145	1.2
159.04471	1.3
159.08099	2.0
160.05176	1.5
160.74577	0.9
161.06001	5.5
161.09663	1.5
164.07304	1.1
165.05486	1.2
167.07047	34.7
171.04395	5.6
171.06505	3.0
172.05199	6.1
173.05972	3.7
174.06721	1.9
175.07614	5.4
181.04968	100.0
182.05403	1.3
182.19859	1.0
184.77490	0.9
185.06000	1.1
187.07558	4.2
188.03317	2.1
189.05450	1.3
189.09128	9.6
191.06989	2.4
195.06557	3.2
200.04709	3.7
203.07048	13.1
204.02957	2.4
205.08607	3.7
206.05774	1.6
211.13361	1.0
217.12262	2.3
218.05751	3.1
219.08125	1.9
221.08038	7.3
231.08167	1.6
233.08102	42.3
235.09789	1.8
235.13266	2.1
239.08142	1.5
243.15950	1.5
245.08072	1.7
249.09093	1.8
251.09143	5.1
253.09741	1.2
253.14452	1.4
262.06418	1.0
263.09167	13.0
265.08514	2.3
267.07553	1.0
271.10779	1.8
276.07870	1.2
277.08542	2.2
281.09097	1.4
287.01077	1.2
291.10095	2.1
293.08096	1.7
294.08826	1.2
297.11136	2.0
299.10361	1.9
307.09512	1.6
309.08224	1.4
309.11243	3.3
313.07877	1.6
316.09485	1.6
331.09268	2.2
337.10764	3.7
341.13898	3.1
345.10764	2.1
351.12250	4.2
355.09164	2.2
356.12543	1.2
357.13373	11.1
369.13324	7.9
373.10010	2.9
375.14423	2.2
387.14453	27.3
405.16672	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.2
55.01873	17.2
55.05520	21.7
57.03434	6.4
57.07075	5.7
66.73885	3.4
67.05506	33.9
69.07065	12.1
69.49065	21.6
71.04975	5.4
71.08620	11.2
79.05508	17.5
81.03412	3.7
81.07063	38.0
83.04963	5.3
83.08620	16.6
85.06562	4.0
85.10162	8.6
88.79253	3.5
89.25668	3.3
91.05499	25.1
93.07052	22.8
95.04988	8.7
95.08606	26.0
97.06516	11.2
98.21485	7.9
99.08064	8.3
105.07011	17.4
107.08594	12.7
109.06538	3.2
109.10160	9.3
111.08090	22.0
111.08762	3.4
113.09632	9.5
119.08565	13.7
121.10109	13.7
123.11701	5.7
131.08575	4.4
133.10112	12.0
135.08072	4.1
135.11670	6.1
143.08447	3.4
145.10152	3.9
147.11703	14.7
149.13280	7.8
151.11174	9.8
153.12756	3.8
157.10063	4.3
159.11661	5.4
161.13225	6.9
163.11217	3.4
165.12717	17.7
179.14377	7.4
196.53291	3.2
229.14323	6.9
259.20618	7.4
269.17508	6.6
277.18817	5.1
277.21628	54.7
295.22638	11.9
298.46960	4.0
338.76917	3.9
351.25327	64.1
369.22134	6.8
369.26395	100.0
404.25336	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34968	2.4
56.96567	30.7
57.03423	5.4
58.99864	8.1
59.78179	2.2
61.02926	4.2
69.03426	7.9
69.35053	5.2
69.35458	14.8
70.06583	8.3
70.98139	13.8
70.99855	14.5
71.39997	2.3
72.08145	10.4
73.01431	2.8
73.02919	5.2
77.00919	5.7
81.03398	3.4
82.99850	3.4
84.04504	3.3
84.08142	9.7
84.54257	2.7
84.96024	4.1
85.01394	2.7
85.02916	20.2
86.09708	9.8
88.99161	6.9
89.00895	4.1
91.02469	5.8
97.02885	11.3
98.06081	6.4
98.97591	35.0
101.00883	23.6
109.02854	3.0
110.97565	7.4
113.00857	2.8
115.02444	20.2
116.98618	11.2
117.01930	2.8
117.03983	6.9
119.01929	37.5
123.04418	4.5
127.02414	4.5
127.03902	8.1
128.98625	11.3
129.03987	7.4
130.93274	15.0
131.01930	20.9
132.97261	3.2
133.03473	25.6
134.99712	4.2
138.00838	3.8
143.00179	6.2
143.01927	13.1
145.03458	18.6
145.04964	5.6
146.99641	10.5
147.01387	5.7
147.05000	12.2
149.02972	18.9
151.04616	4.8
154.93268	5.2
155.01819	3.8
156.99878	9.0
157.03479	6.2
158.99684	6.9
159.01378	7.3
160.02946	2.7
161.01213	4.3
161.02966	26.5
163.03972	14.1
164.04343	3.4
165.00798	4.1
165.06133	6.4
167.03992	3.8
167.07007	3.6
168.05467	3.7
171.01424	14.7
172.94357	17.8
172.97630	8.7
173.01384	4.2
173.02943	15.6
174.99478	3.0
175.00899	70.5
175.04486	9.6
176.01024	2.8
177.00896	6.0
177.02400	8.2
177.04083	3.4
178.04837	3.2
185.02977	5.5
187.00912	4.0
188.99132	3.3
189.02460	31.3
190.95366	10.7
190.98662	9.0
191.02319	3.6
191.03906	13.1
193.01926	15.5
197.03070	2.9
199.00916	8.7
201.00768	8.6
201.02502	10.2
203.00516	6.5
203.04012	10.4
205.00214	6.2
207.03448	8.8
208.96466	3.3
211.04552	3.9
213.02461	6.8
214.95392	7.6
215.00598	5.0
216.97000	3.8
216.98656	3.2
217.00298	4.6
217.01967	15.9
218.98373	4.5
219.01776	8.3
219.03526	9.5
220.04977	3.2
221.01573	3.2
221.05121	4.9
223.01192	5.0
224.98653	7.7
227.00414	4.9
228.03899	3.1
229.02000	14.8
230.95020	4.1
231.03598	24.5
232.96307	15.6
232.99771	4.0
235.03061	9.5
237.02815	6.7
239.00563	6.3
242.99799	21.7
244.96448	3.7
245.01520	4.1
245.05151	5.3
247.03069	10.3
249.04567	12.5
255.01964	4.0
257.01468	61.0
257.05347	4.6
258.01715	3.1
259.03143	16.2
262.97485	4.8
264.95541	3.4
270.99374	5.9
271.03186	4.9
272.95844	3.6
273.00916	8.1
274.97427	4.7
275.02582	24.2
277.04160	8.0
285.00763	19.4
286.58505	3.8
287.02548	4.6
289.04092	8.0
290.96957	6.7
294.49664	3.8
299.02557	6.6
303.01822	40.1
303.04312	4.8
305.03265	4.1
313.00397	4.4
317.03546	41.2
318.96466	7.5
323.99606	3.5
330.96649	3.0
331.01471	6.0
335.04605	10.1
342.96582	4.0
344.50974	3.6
344.94516	4.6
344.99756	4.8
345.03052	100.0
347.04791	3.9
360.97516	4.3
362.95627	13.0
362.99374	3.9
363.03894	19.6
405.05173	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01871	24.8
55.05515	21.2
57.03454	6.5
57.07066	5.7
60.06959	3.5
67.05506	30.2
69.03433	4.2
69.07063	18.6
69.89415	3.8
71.04987	3.1
71.08640	17.5
71.52216	4.3
77.06327	3.5
79.05501	25.5
81.03413	6.7
81.07057	35.7
83.04966	9.2
83.08601	19.8
85.02917	4.8
85.06557	5.2
85.10185	9.1
90.09673	3.5
91.05475	20.5
93.07030	26.6
95.04969	7.4
95.08619	26.6
97.06522	3.8
97.10173	3.3
99.08098	19.0
105.07035	22.7
107.04977	4.7
107.08598	17.7
109.06519	6.0
109.10167	9.4
111.08081	31.0
113.09653	13.2
117.07032	4.9
119.08584	14.1
121.10150	10.9
123.08092	5.3
123.11691	5.8
125.09668	3.9
129.06964	4.3
131.08551	5.7
133.10150	16.7
135.11674	5.2
143.12527	3.0
145.10179	6.5
147.11676	16.0
149.09605	5.8
149.13235	6.3
151.11212	10.9
157.10139	5.7
161.13292	5.8
163.11249	5.0
165.12776	18.0
167.11972	3.3
167.14435	3.5
175.11125	3.7
175.14836	3.4
179.14326	7.0
185.13274	5.2
259.20602	4.6
277.21619	83.2
295.22659	20.9
323.46082	3.5
351.25308	100.0
369.26401	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	33.6
57.03430	17.2
67.05505	57.4
69.07079	23.9
69.61743	30.6
71.08638	32.1
79.05502	39.9
81.07058	58.6
81.63373	4.1
83.04976	16.0
83.08604	21.5
85.06544	5.4
91.05490	29.1
93.07047	57.7
95.04970	9.3
95.08597	34.3
97.10149	15.4
99.08095	29.6
105.07008	19.6
107.08607	28.4
109.06564	5.1
109.10134	5.9
111.08100	6.2
117.07029	10.8
118.07908	4.8
119.08562	15.1
121.10175	10.4
123.11732	7.0
125.09618	12.3
131.08577	8.5
133.10126	13.1
135.11719	16.7
145.00620	4.6
145.10165	4.9
147.11717	6.0
149.13235	17.2
151.11166	27.6
159.11725	21.2
161.13264	12.2
163.11203	10.3
173.11702	18.4
177.12769	18.2
179.14334	13.8
185.74106	4.5
189.11186	10.0
195.13701	12.5
227.12804	13.2
231.21368	4.8
241.19452	5.5
245.13744	6.2
253.18010	5.1
259.20499	6.0
268.19266	5.7
269.17535	100.0
269.20169	3.9
277.21710	27.7
286.20364	6.6
351.25302	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46856	2.4
55.01880	3.7
55.05513	16.9
57.03444	18.0
67.05511	54.1
69.07070	19.5
70.47012	8.4
71.05009	4.2
71.08636	21.3
79.05497	36.1
81.07056	61.7
83.04993	9.9
83.08647	13.8
85.06532	4.0
87.03218	2.3
91.05489	22.5
93.07047	48.7
95.04969	11.3
95.08619	23.2
97.06538	8.4
97.10186	7.6
97.60969	2.7
99.08088	16.3
105.07030	11.4
107.08611	19.3
109.10165	6.9
111.08067	5.2
117.07034	7.4
119.08577	10.8
121.10127	14.3
123.11704	3.5
125.09615	5.3
126.68576	2.9
129.06946	3.7
131.08568	8.2
133.10146	12.9
135.11682	11.1
139.11234	3.1
143.08546	3.1
145.10162	3.6
147.11707	7.0
149.13242	20.1
151.11220	11.2
159.11716	17.5
161.13258	12.8
163.11209	6.0
173.11775	9.0
175.14755	4.9
177.12752	18.4
179.14331	8.3
180.13185	2.5
184.84134	2.2
195.13815	9.3
227.12798	12.8
241.19395	5.1
253.18088	4.2
259.20633	6.9
269.17496	100.0
277.21552	16.2
351.25385	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05510	2.9
57.07076	1.4
61.02927	2.1
66.22525	1.4
67.05504	2.5
69.03427	3.2
69.07081	1.8
70.06612	2.6
70.48866	1.4
70.49219	3.8
72.08146	2.3
79.05489	1.5
81.07059	14.1
84.04499	2.1
84.08154	2.0
85.02911	72.2
85.85090	1.2
86.09715	5.9
86.51354	1.3
91.05495	13.2
93.07063	2.3
95.08590	5.2
97.02889	1.7
103.05477	1.3
105.07031	6.0
107.08599	4.6
109.06533	2.4
109.10151	10.3
119.04945	21.1
119.08559	6.6
121.10162	7.7
123.11713	76.8
125.05989	7.0
127.03902	2.5
145.10152	5.7
147.04420	19.5
147.08034	3.1
147.11708	13.2
149.09593	8.7
151.07581	2.3
154.06876	2.9
156.09277	1.5
157.03975	3.5
164.04697	2.8
165.12732	1.6
171.11674	1.7
175.03928	42.4
179.07071	1.9
180.08644	1.8
189.12744	18.7
192.04161	10.9
207.06540	100.0
207.13811	53.8
208.06958	1.4
225.07584	43.1
225.14859	18.3
231.08131	1.5
257.09500	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05505	3.1
67.05508	9.9
68.05022	8.6
69.03433	5.5
69.57741	13.9
70.06593	8.6
72.08154	10.4
79.05495	7.1
80.18300	2.8
81.03426	3.7
81.07037	13.8
83.04996	3.6
84.04488	3.0
84.08135	5.7
84.81635	2.9
85.02894	8.7
85.06546	5.5
86.06059	11.8
86.09727	14.3
87.10075	2.7
91.05471	10.3
93.07049	9.7
95.08623	14.5
97.02890	3.2
97.06528	4.1
101.06035	3.8
104.06439	5.5
104.07117	100.0
105.07047	26.9
107.08611	14.5
109.06528	8.5
109.10161	10.6
111.08089	4.1
117.03367	4.9
117.07020	5.1
119.08595	27.5
121.06493	3.6
121.10139	9.5
123.04351	3.9
123.08083	16.1
123.11684	6.0
130.05026	6.3
131.08537	3.9
133.09090	2.8
133.10075	5.2
135.11726	3.8
137.09634	27.6
145.02888	8.1
145.10146	8.0
147.11693	34.9
149.09622	8.3
151.11215	9.9
156.77274	2.9
161.13266	5.4
163.11214	5.8
171.11697	3.4
174.07689	4.1
177.05453	7.9
181.04933	4.4
189.12782	26.5
200.12801	5.3
207.13821	61.2
214.14339	3.1
217.95529	3.4
225.14787	14.0
251.09160	6.7
258.74969	2.9
270.16962	3.3
332.22198	4.2
350.23206	11.1
368.24368	44.1
386.25351	13.1
404.26343	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27223	2.3
51.75256	2.2
53.03954	4.4
55.01860	3.6
55.05515	12.7
57.03442	16.2
61.02921	2.8
61.28909	2.3
64.44881	2.2
67.05167	4.1
67.05504	35.3
69.07063	13.5
69.86445	5.7
69.86852	9.0
71.04987	4.6
71.08628	7.5
79.05499	24.8
81.03416	5.0
81.07063	41.8
83.04975	8.0
83.08624	12.7
85.02893	3.2
85.06537	2.7
91.05476	16.8
91.42898	2.1
93.07047	34.0
95.04955	5.5
95.08619	19.9
97.02929	2.8
97.06525	5.8
97.10162	9.3
99.08086	12.0
105.07040	11.6
107.04968	2.5
107.08617	25.0
109.06539	4.4
109.10169	6.1
111.08090	3.4
117.07021	5.6
119.08640	5.4
121.10156	7.7
123.11713	2.6
125.09647	5.5
129.06990	3.8
131.08557	11.7
133.10153	5.9
135.11742	6.9
145.10213	2.2
147.11708	4.1
149.13255	16.0
151.11195	4.1
158.86232	2.4
159.11708	9.2
161.13333	3.2
163.11255	2.9
173.11813	5.2
173.13203	4.6
177.12726	5.8
184.51752	3.0
195.13811	9.7
200.20183	2.2
227.12755	7.0
229.14484	2.9
259.20428	2.5
269.17490	100.0
277.21680	10.0
344.10565	2.6
351.25345	19.1
362.43726	2.5
375.07135	9.9
405.11777	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.8
57.03428	2.3
59.04996	3.3
60.14253	1.8
67.05490	5.9
68.05035	2.6
68.14705	2.0
69.03416	7.5
69.07061	3.6
70.06582	7.0
70.46404	1.8
71.04983	3.5
71.52274	2.3
72.08156	3.6
79.05487	4.0
81.03411	3.1
81.07039	10.2
83.04980	2.8
84.04506	3.3
84.08117	3.8
85.02910	23.3
86.06059	2.2
86.09707	9.1
87.00848	2.5
91.05485	11.1
93.07045	5.3
95.04992	2.6
95.08600	5.1
97.02888	4.1
99.04380	2.1
104.07113	31.7
105.07027	18.1
107.08594	17.8
109.02919	2.6
109.06521	5.1
109.10141	7.3
111.08056	2.8
119.08582	19.5
121.06520	2.1
121.10165	11.1
123.08079	4.4
123.11724	17.3
125.09655	2.6
127.03938	3.3
129.07024	2.3
131.08609	9.7
133.06535	3.9
133.10141	5.0
135.08070	17.0
135.11688	4.8
137.09636	4.6
138.09119	7.3
141.06918	2.0
142.07692	2.0
143.08569	7.2
145.05020	2.5
145.10114	12.8
147.08051	14.6
147.11676	21.3
149.09665	9.8
155.10684	4.2
156.09351	15.0
156.11095	2.8
157.08572	2.3
161.09676	2.1
161.13240	6.2
163.11212	2.0
165.09123	3.4
165.12776	2.3
167.07025	2.7
171.11693	22.8
189.12753	54.9
190.58662	1.8
207.13812	100.0
266.17462	2.1
346.23807	2.3
350.23285	3.5
368.24362	15.1
386.25363	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	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01873	5.2
55.05508	8.4
57.03448	3.6
58.06545	2.2
58.47901	2.6
61.64632	2.4
67.05509	15.3
69.03419	5.6
69.07082	11.3
70.06594	3.0
71.04987	8.2
71.52215	4.5
71.96692	2.4
79.05506	19.1
81.03421	4.6
81.07059	39.5
83.04975	6.9
83.08614	4.8
84.08148	5.3
85.02919	4.2
85.06547	5.4
86.09703	3.5
91.05489	26.2
93.07051	38.3
95.04969	8.5
95.08609	18.3
97.06531	9.4
99.04435	5.1
105.07038	39.3
107.08598	33.6
109.02919	4.9
109.06541	19.1
109.10141	8.9
111.08107	6.1
117.06964	4.2
119.08588	25.6
121.06493	27.4
121.10151	15.3
123.08080	11.5
123.11722	18.4
125.06008	4.4
127.03916	7.0
127.07534	6.5
129.07028	3.2
131.08591	5.7
133.10132	8.8
135.08049	10.7
135.11694	3.2
137.06036	3.8
137.09660	4.0
139.07536	6.8
142.07773	2.8
143.08562	4.3
145.10150	6.5
147.08080	4.1
147.11699	100.0
149.09613	3.7
149.13264	3.4
157.10139	9.5
161.09642	2.7
161.13272	8.5
165.12767	85.0
167.06996	5.1
168.07498	3.2
171.11745	6.5
173.09695	3.4
175.11234	13.0
183.13832	17.0
189.12726	10.3
193.12233	33.5
193.13850	2.8
199.11156	7.1
207.13815	10.5
209.08078	2.6
216.98888	2.3
217.12206	24.1
229.14366	70.7
235.13327	41.7
253.11673	3.7
253.14362	70.6
253.23466	2.5
315.23895	3.7
342.21164	3.6
387.29343	9.5
404.20996	9.5
404.26822	3.7
404.31995	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93290	0.3
53.00235	0.3
53.02894	0.2
55.05507	0.9
61.02929	0.4
66.66987	0.3
67.05495	1.3
67.54765	0.3
69.03424	0.8
69.07050	0.3
70.06608	0.4
71.03120	0.6
71.05004	0.6
74.40673	0.3
79.05478	1.0
81.03414	0.5
81.07050	1.0
83.04980	2.1
83.08593	0.4
84.04455	0.4
85.02914	3.2
86.09698	0.8
91.03989	0.3
91.05473	0.4
93.07040	1.2
95.04948	0.8
95.08615	3.0
97.02888	1.0
97.06520	1.3
99.04442	0.3
99.08091	0.6
105.07030	0.9
107.04977	0.6
107.08612	1.5
108.13937	0.3
109.02829	0.4
109.06511	1.4
111.04460	1.0
111.08099	0.4
115.17947	0.3
117.07082	0.3
117.63728	0.2
119.08599	1.2
121.06496	0.7
121.10148	3.7
123.08076	100.0
124.08433	1.1
125.09711	0.3
127.03938	0.6
130.04990	0.3
133.10165	0.9
135.11725	0.9
137.09616	0.8
145.04985	0.6
145.10120	0.9
147.11732	1.0
149.09583	1.4
151.11194	2.9
159.11597	0.3
161.13350	0.4
163.11151	1.5
166.80882	0.3
167.10628	1.4
181.12242	9.8
189.12778	1.0
207.13829	3.1
225.14870	19.7
316.34329	0.3
345.10825	0.4
361.06949	0.3
373.10303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05518	5.6
56.05034	1.6
57.05830	0.9
60.04533	1.8
66.98416	0.7
69.03416	1.6
69.07072	7.3
69.89320	1.4
69.89724	2.9
70.06591	6.7
72.08158	54.2
78.61648	0.7
81.03413	0.8
81.07090	0.8
83.05000	1.3
84.04524	1.6
84.08144	3.1
85.02927	1.3
86.09710	100.0
87.05587	0.8
87.10061	1.0
88.03986	1.9
91.05469	4.1
93.07050	9.7
93.79703	0.8
95.04958	1.7
98.20802	0.8
101.07150	1.3
105.07040	1.0
107.08628	1.1
116.07100	5.7
119.08595	1.0
121.06506	18.1
127.05045	1.4
127.07572	1.1
129.10242	16.8
132.10220	4.8
133.06018	1.0
137.05966	0.9
137.09599	1.3
141.10280	1.0
143.11803	2.2
144.06557	1.1
145.10014	0.7
151.07581	0.9
157.06073	0.9
157.09738	6.6
159.11703	1.9
161.09306	1.1
163.11176	1.7
165.09164	1.1
166.08675	1.0
173.05626	1.4
175.10925	1.1
177.12836	1.2
185.12842	1.3
187.10982	0.9
189.12355	1.8
199.18060	1.1
201.12306	2.8
205.12236	11.0
207.06500	1.4
223.13371	4.6
225.15962	2.8
229.11821	2.2
229.15398	1.1
233.11282	1.2
241.14511	1.0
242.15033	1.1
247.12901	24.7
270.14542	2.3
270.18121	3.8
272.12393	5.6
304.14923	1.8
357.21045	0.9
371.83661	0.7
403.22018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.9
55.01863	0.8
55.05514	7.8
56.05038	1.0
57.07071	0.8
58.06612	5.2
62.26080	0.7
65.03937	1.1
65.67175	0.6
67.05520	7.1
69.03429	1.3
69.07082	4.1
69.73476	3.3
70.06587	0.9
71.05007	2.9
73.06551	3.0
73.98460	0.7
76.07645	2.7
79.05508	4.7
81.03433	1.0
81.07066	8.1
83.04980	1.6
83.08617	4.1
84.08157	12.6
85.02932	0.9
85.06546	2.4
91.05466	3.8
93.07057	5.0
93.13213	0.6
95.04981	1.6
95.08622	13.3
97.06525	2.2
97.10202	1.2
102.09193	11.0
105.07047	3.5
107.04948	2.5
107.08607	2.7
109.06510	1.3
109.10172	5.1
111.04452	0.8
111.08089	1.9
113.95198	0.9
115.05469	1.2
117.07059	1.4
119.04942	0.8
119.08583	4.3
121.06516	2.0
121.10148	1.9
123.04418	1.1
123.08082	2.1
129.01863	1.5
129.07033	1.4
130.12288	5.2
131.04961	0.9
133.10100	3.2
135.08072	0.8
135.11667	1.4
137.05986	0.8
137.09639	1.9
139.07544	0.8
143.08556	0.9
145.06468	1.5
145.10167	1.8
147.08011	0.7
147.11736	1.3
147.14952	1.5
149.09624	1.0
151.11249	0.9
151.14925	0.7
153.05482	1.6
159.11697	0.7
161.06012	0.8
161.09677	0.6
161.13303	2.4
165.08943	0.6
167.03441	0.9
167.07068	16.9
173.05983	1.0
175.07709	0.8
175.14793	2.9
179.14354	0.9
181.05003	2.3
185.13275	1.9
193.12115	0.8
193.15884	1.9
197.15405	0.7
201.05508	1.8
203.07100	0.8
203.14362	1.1
219.06522	1.0
221.08150	1.0
221.15457	1.9
231.06581	1.2
251.20119	0.9
252.23260	19.4
254.21190	11.5
254.49698	0.7
256.76617	0.7
263.07144	0.9
265.08292	0.7
278.21143	1.8
281.08032	0.9
296.22235	5.9
314.23291	38.6
315.23615	0.8
324.29016	1.6
326.26947	5.5
340.09558	0.7
353.10568	0.9
355.12070	2.9
358.10269	0.7
368.27814	0.8
373.12912	2.6
385.15723	0.8
385.30435	1.0
386.29044	60.1
387.29456	0.7
403.31711	100.0
404.32019	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05508	5.6
56.36263	1.6
57.56694	1.5
60.04536	2.0
67.05509	5.2
69.03429	5.8
69.07058	6.7
70.06599	8.0
70.75585	3.8
70.75921	2.4
72.08157	43.4
72.77554	1.9
74.06089	2.2
79.05488	2.7
81.03414	2.6
81.07053	3.5
83.04964	8.5
84.04507	3.1
84.08147	3.4
84.19181	1.6
85.02893	3.8
85.06544	3.0
86.09709	99.7
88.03971	2.6
91.05488	14.6
93.07047	61.3
94.17793	1.6
95.04958	4.6
95.08614	3.5
97.06529	3.9
102.05519	1.9
103.05466	3.3
103.08463	1.7
105.07030	4.1
107.08597	3.0
109.06538	4.1
109.10181	2.1
110.07137	1.6
116.07101	4.0
119.08600	3.1
121.06511	100.0
121.10136	3.6
127.07584	9.3
129.10254	15.2
131.08525	2.3
132.10176	2.8
135.08040	2.1
139.07585	4.2
144.06575	2.8
145.10175	2.1
147.08057	1.9
149.09622	4.1
157.09752	4.9
159.11723	7.8
159.45882	1.6
163.11200	2.6
165.09157	2.3
173.09375	1.5
175.10933	2.9
177.12805	4.5
177.52568	1.8
179.10698	3.1
187.11134	5.9
189.12294	4.7
201.12346	6.1
205.12242	54.6
206.09119	1.6
210.29091	2.1
223.13301	24.2
225.07436	2.5
225.15959	2.7
229.11833	2.7
234.68973	1.6
247.12914	20.9
270.14648	2.0
270.18039	4.1
423.35925	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1966
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03957	3.9
53.59190	3.3
55.05514	12.9
56.52285	3.5
57.03424	10.5
63.34106	3.6
67.05509	9.6
69.03424	17.5
69.07065	8.5
70.06588	18.2
71.04977	4.5
71.51074	4.5
72.08161	53.4
72.25704	3.6
74.06076	10.7
79.05489	9.3
81.03426	11.8
81.07059	13.3
83.04993	12.1
84.04499	7.4
84.08144	6.9
85.02913	17.1
85.21710	3.4
86.09713	100.0
91.05501	16.1
93.07070	23.5
95.04945	6.4
95.08619	13.9
97.02911	5.1
105.07044	10.2
107.08609	10.4
109.06516	22.7
110.07240	3.8
111.08092	9.3
113.06003	5.7
119.08607	16.1
121.06496	33.6
121.10130	9.1
123.08079	3.9
127.03944	5.5
129.10262	11.7
133.10150	6.4
135.08083	9.2
137.06010	12.6
137.09595	7.6
144.06528	4.8
145.10097	6.8
147.11719	6.3
149.04614	6.5
149.06079	6.0
149.09619	12.3
151.11192	4.3
153.09052	8.7
155.54312	4.3
157.13368	9.7
159.11632	11.0
160.08899	5.7
161.09604	4.8
163.11235	6.3
165.09143	14.1
166.07271	64.3
167.07123	7.1
175.05328	3.9
175.11217	16.8
177.12712	10.3
177.27927	4.6
177.91492	4.3
179.10721	9.3
181.05029	8.4
185.12833	6.8
189.12430	4.8
193.12245	69.2
197.12910	4.8
205.12222	30.6
207.06578	6.8
217.15524	4.6
219.13388	6.4
223.13336	37.9
241.14394	8.7
247.12915	6.1
265.15771	4.6
268.16486	8.8
403.19485	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.1
55.05518	37.0
57.03441	36.0
57.41851	4.1
67.05508	78.6
69.07069	52.6
70.51781	12.9
71.04971	11.2
72.24374	4.1
79.05491	63.7
80.11906	4.3
81.03419	8.6
81.07057	100.0
83.05000	12.8
83.08636	21.6
91.05483	51.8
93.07051	75.3
95.04971	14.0
95.08616	50.8
97.02913	4.6
97.06542	22.6
97.10170	22.2
105.07021	47.1
107.04999	5.9
107.08601	49.6
107.45703	4.4
109.06515	4.6
109.10163	8.4
111.08087	5.9
117.07044	23.3
119.08584	39.7
121.06503	5.2
121.10156	32.1
123.11733	4.5
125.09640	18.4
129.06982	11.4
131.08568	25.2
133.10106	37.1
135.08061	8.5
135.11711	31.6
136.52205	4.7
137.09657	6.0
138.12781	6.6
141.07063	5.0
143.08499	4.3
145.10123	26.2
147.11731	11.6
149.09691	23.4
149.13275	28.4
157.10118	8.7
159.11720	32.1
161.13261	5.9
163.11198	11.5
171.10233	4.4
173.13292	13.7
175.11163	7.0
177.12714	14.8
179.14258	7.9
189.11211	6.7
195.13843	13.6
217.15971	5.4
227.12788	10.2
239.17979	8.8
255.15901	50.6
257.18890	9.7
269.17493	90.9
275.20093	60.1
286.20245	13.0
293.21027	5.0
293.38684	4.7
349.23740	62.8
367.24704	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01867	7.7
55.05509	30.7
57.03448	22.8
57.07066	3.7
58.92784	4.0
59.32645	3.2
67.05187	5.2
67.05510	77.6
69.07067	52.5
69.27604	12.7
69.28025	19.5
71.01346	4.1
71.04999	7.4
79.05500	57.8
81.03402	9.4
81.06596	5.7
81.07060	100.0
83.04978	13.5
83.08635	20.6
85.06553	8.8
89.71668	3.4
91.05488	46.6
93.07058	69.4
95.04966	9.3
95.08599	42.2
97.06533	23.3
97.10175	11.4
99.00201	3.8
99.04494	3.5
105.07035	33.2
107.04979	6.7
107.08605	50.2
109.06533	6.6
109.10175	18.6
111.08064	7.1
117.07016	16.9
119.08581	32.5
121.06483	5.4
121.10144	24.8
123.11700	4.4
125.09641	11.9
129.07016	8.8
131.08588	23.7
133.10126	29.3
135.08078	6.2
135.11694	29.6
137.09598	5.6
143.08586	5.3
145.10120	18.9
147.11702	12.3
149.09625	13.9
149.13248	20.2
151.06264	3.5
151.11314	3.8
157.10173	5.5
159.11723	27.1
161.13295	6.6
163.11188	12.3
171.11703	4.6
173.13269	8.3
175.11215	5.1
177.12758	16.3
181.12271	6.5
189.11241	6.9
195.13843	11.3
218.09120	3.7
227.12762	7.5
239.17937	6.2
245.13744	4.3
247.20718	8.5
253.18091	3.5
255.15959	56.7
257.19000	8.1
269.17514	85.3
270.17679	3.5
275.20074	39.1
286.20038	5.7
304.26398	5.0
349.23694	38.0
367.24817	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49641	2.8
55.01869	7.5
55.05508	14.0
56.25177	2.7
57.03432	10.6
61.33099	2.7
67.05506	43.4
69.03448	4.7
69.07071	37.4
70.07395	8.5
70.61285	6.6
70.61653	6.8
71.04968	4.8
71.08602	4.0
72.71426	2.8
73.06547	5.9
79.05498	23.4
81.03415	7.6
81.07057	45.1
82.07371	4.5
83.04990	5.8
83.08616	10.1
85.06548	4.0
85.22383	2.9
87.04462	6.2
91.04955	5.1
91.05482	36.4
93.07047	25.1
95.04967	11.2
95.08609	28.5
96.08942	4.7
97.06537	7.1
99.08080	4.0
105.07038	29.7
107.04976	7.6
107.08607	28.8
109.06526	8.5
109.10159	31.2
111.08038	4.4
115.07555	5.7
117.07018	6.3
119.08577	12.8
121.10162	12.3
122.10514	5.2
123.08080	5.1
123.11741	7.2
125.09647	5.9
131.08569	4.5
131.97534	3.1
133.10138	38.3
135.11710	10.1
137.09636	5.7
145.10149	10.5
146.10524	5.1
147.10669	3.4
147.11729	4.8
149.09621	6.2
151.11172	23.7
159.11711	6.9
160.60564	3.9
161.09587	4.5
161.13278	6.1
162.13622	5.1
163.11127	7.4
169.12181	5.7
173.13301	3.9
174.13521	3.2
177.12743	5.2
191.39799	3.2
197.11131	2.9
243.21049	3.5
253.14310	20.2
256.21497	15.2
257.21674	21.8
258.22174	10.3
271.15311	3.9
275.20044	23.5
285.16989	9.2
288.26944	5.2
293.21045	10.2
304.26352	5.8
349.23767	11.8
367.24808	100.0
384.32501	6.9
385.25940	3.6
402.33517	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16453	15.8
59.04992	16.1
61.43988	13.6
65.54417	14.6
67.05489	14.8
69.07069	15.5
70.06580	82.0
71.51528	16.5
72.08144	45.3
81.03408	17.7
81.07061	21.5
84.08144	46.1
86.00668	16.7
86.06049	43.9
86.09713	100.0
89.06025	15.6
91.05469	44.0
93.07005	21.1
105.07037	15.0
107.08575	14.8
121.10105	15.9
125.05933	18.2
129.10254	18.6
132.01125	32.4
135.08029	19.0
140.44194	14.0
146.08095	22.8
149.55978	14.2
152.71913	13.4
161.09650	15.3
188.35553	13.3
201.05490	18.3
279.11633	15.3
402.16891	19.2
402.24628	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	401.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63345	1.2
53.03953	3.6
55.05519	15.6
57.03434	3.5
57.07064	3.7
65.03967	1.7
65.65775	1.2
67.05184	1.6
67.05511	23.4
69.03433	3.6
69.07075	34.8
70.14485	2.7
70.14880	2.9
71.04998	1.8
71.08642	2.0
75.70190	1.1
78.09380	1.2
79.05501	25.3
81.03425	3.1
81.07069	73.8
83.04996	1.4
83.08620	12.0
85.02930	1.9
85.06558	12.3
91.05486	22.2
93.07059	30.0
95.04953	3.5
95.08616	42.5
96.08964	1.5
97.02926	2.3
97.10183	4.5
99.08104	38.0
105.07043	33.5
107.04969	9.6
107.08609	35.6
108.08947	1.8
109.06529	3.0
109.10168	28.9
110.10521	1.4
111.08102	1.8
111.11697	2.7
113.09644	5.0
115.05490	2.0
116.06313	1.8
117.07030	6.0
119.08593	29.4
121.06502	2.0
121.10161	26.6
123.04468	1.4
123.11728	8.0
124.05250	1.3
125.09650	2.6
125.13303	3.4
127.11193	9.7
128.06236	1.4
129.07011	5.2
131.08601	13.6
133.02881	1.2
133.10153	30.2
135.11714	22.1
137.05957	1.5
137.13269	2.6
141.06946	1.4
143.08598	2.8
143.14333	4.3
144.05751	1.5
145.10139	19.9
147.11703	35.3
147.12817	2.7
149.13278	11.6
151.07614	1.5
151.11208	3.6
151.14922	1.8
153.05406	1.5
153.12788	8.5
156.05687	2.7
157.10130	4.3
159.08044	3.9
159.11708	22.2
161.13275	68.0
162.13692	2.5
163.03966	4.1
163.11273	3.5
163.14915	6.6
165.09282	1.5
167.07062	28.2
171.11758	4.8
173.06041	1.6
173.13290	10.7
175.14835	8.8
177.16402	6.5
179.07130	1.7
181.15900	2.0
185.13286	5.8
187.07593	3.4
187.14824	16.2
189.16400	3.9
195.17500	3.1
199.14880	5.2
201.16368	7.3
203.18008	3.3
205.06923	1.9
205.08553	7.2
205.10350	1.3
205.15886	2.5
207.06528	4.3
208.05258	7.6
209.05931	1.6
209.07980	1.5
211.14807	1.5
213.16373	5.4
215.18007	16.2
217.08669	7.6
218.07324	1.6
219.08101	2.5
219.17458	1.6
221.19064	2.6
227.17955	3.1
231.08095	1.7
231.17484	2.3
233.09663	1.7
233.19037	3.7
236.04747	3.2
241.19545	14.6
247.07564	3.1
247.09787	4.2
248.08308	2.5
249.22249	1.8
251.10692	1.4
253.19676	2.6
254.05894	3.2
255.06598	1.8
255.21120	23.6
256.21512	1.9
257.22742	8.9
259.20590	14.3
261.22122	1.5
263.10785	2.8
263.23676	2.7
265.08600	1.8
267.06631	1.5
269.08081	6.3
269.22565	2.4
271.09686	2.8
271.24384	1.8
273.22162	60.7
275.07089	2.0
275.23767	4.6
276.07965	2.6
277.08597	1.8
282.05313	1.9
282.08862	3.8
283.24207	2.3
285.25821	2.7
289.25330	10.8
291.10248	3.5
293.08112	2.7
299.09039	1.8
301.25198	2.5
307.09659	3.3
315.08652	25.1
319.09848	2.9
323.12973	3.8
327.26740	1.4
330.10986	27.9
331.11618	6.2
337.10837	3.6
339.12424	2.9
343.11813	4.3
351.12247	7.5
353.10318	2.6
365.31995	3.4
368.12543	2.2
369.13156	1.4
371.14963	2.3
383.14941	16.7
383.33060	28.7
401.11063	2.6
401.16193	8.6
401.34137	100.0
402.34698	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.4
57.07082	7.8
59.69245	4.0
67.05495	21.4
69.03467	3.8
69.07066	20.0
71.04981	11.7
71.08617	5.2
79.05502	27.3
79.30907	4.1
81.03377	4.9
81.07057	36.7
83.08618	6.2
85.10203	5.3
91.05490	43.2
93.07051	53.1
95.04952	7.3
95.08609	23.9
97.02917	8.1
97.06541	4.5
105.07029	82.7
107.08611	36.7
109.06522	63.1
109.10173	16.0
111.08080	10.2
115.05479	4.5
116.06231	5.5
117.07011	27.4
119.08588	74.7
121.10153	16.5
123.08152	5.0
127.03960	5.4
128.06281	13.2
129.07011	23.0
130.07788	10.6
131.08580	59.0
133.10147	81.8
135.08078	12.4
135.11707	24.1
137.09627	5.2
141.07034	10.3
142.07779	28.9
143.08551	41.9
144.09332	8.4
145.10135	100.0
147.08078	8.7
147.11658	20.1
149.09647	4.9
155.08580	15.8
156.09357	17.4
157.10152	61.5
158.10907	12.8
159.11693	28.3
161.09659	8.7
165.07043	6.1
167.08632	6.7
168.09425	4.7
169.10098	20.0
170.10944	5.3
171.11687	35.8
172.12482	8.8
173.13261	42.6
175.14836	13.6
179.08574	13.8
180.09352	6.8
181.10129	17.3
182.10963	10.1
183.11723	24.9
185.13275	19.1
187.14806	44.7
193.10216	7.0
194.10939	9.7
195.11682	25.9
197.13268	14.3
199.14789	19.1
201.12743	7.0
202.65872	4.5
206.10916	6.3
207.11714	10.3
208.12437	5.3
209.13271	32.5
211.14848	10.0
221.13274	17.4
223.14838	9.7
229.39597	4.2
235.14880	11.1
237.16409	7.7
247.14990	4.8
251.17899	6.2
261.16519	6.9
263.17844	8.3
265.19440	6.1
279.17343	4.7
401.13446	6.0
401.18176	6.5
401.23621	4.5
401.28098	29.0
401.37924	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	401.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
54.01374	0.4
55.05505	1.3
57.03417	0.5
67.05511	3.6
69.07063	2.1
69.56487	1.0
69.56911	1.9
71.08629	2.4
73.53462	0.4
79.05067	0.6
79.05496	6.1
79.81038	0.3
81.03416	1.1
81.07059	19.1
83.04993	0.4
83.08613	0.7
91.05478	3.9
93.07050	7.0
95.08614	6.6
95.09193	0.7
97.02885	0.7
97.06570	0.5
97.10128	0.4
98.21500	0.6
99.08108	2.5
105.07037	15.8
107.08599	7.4
109.02876	0.4
109.06517	0.9
109.10140	3.1
117.07027	1.2
119.07816	0.6
119.08593	8.3
121.10137	5.0
123.08047	0.7
123.11691	1.2
131.08578	2.9
133.10153	6.1
135.11697	5.0
143.08557	0.8
145.10130	7.5
147.10507	0.9
147.11693	15.3
149.13268	2.7
151.11201	1.2
157.10129	0.8
159.11697	11.0
161.13260	78.4
162.13641	0.5
163.11192	2.9
163.14830	0.5
171.11745	0.9
173.13261	6.5
175.14847	0.7
185.13257	1.5
187.14861	1.7
199.14833	3.0
213.16388	1.9
215.18069	0.6
227.17896	1.1
235.87630	0.4
255.21089	32.4
256.21329	1.0
273.22131	100.0
274.22522	1.7
285.25732	0.5
315.08414	0.5
365.31961	0.5
383.33099	1.5
401.34171	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
53.79996	2.2
55.01879	8.7
55.05507	2.9
57.03436	17.4
61.02934	30.0
67.05507	16.2
69.03437	14.9
69.07069	5.7
70.06602	10.9
70.65716	6.0
71.01352	5.2
71.05001	4.1
72.08150	12.2
73.02923	14.8
79.05502	17.4
81.03422	100.0
81.07033	7.1
83.04972	4.0
83.06094	2.1
84.08123	5.0
85.02914	36.3
86.09714	16.2
91.03957	16.8
91.05491	28.8
93.07046	17.7
95.01343	4.3
95.04382	2.4
95.04974	32.8
95.08604	5.0
97.02898	24.8
97.06564	3.1
99.04453	5.7
101.02399	5.0
102.77949	1.8
103.03958	12.3
105.07043	8.8
107.04980	11.3
107.08596	10.8
109.02872	12.5
109.06580	2.9
109.10162	2.5
111.04453	2.7
115.05465	3.5
117.05475	2.3
117.07008	7.0
119.04955	2.8
119.08604	20.1
121.02867	2.8
121.06514	7.3
123.04435	43.6
123.08082	2.6
125.05948	4.0
127.03872	11.2
128.06223	2.5
129.07027	3.5
129.10258	2.5
131.04880	2.8
131.08540	4.0
133.06471	5.1
133.10141	3.9
135.08044	20.4
137.02338	3.5
137.05948	2.9
137.09618	24.6
143.07036	2.2
143.08546	2.9
145.04958	6.7
145.06458	3.4
147.04381	5.6
147.08052	5.8
149.09627	8.1
159.08034	2.0
161.05994	2.8
161.09628	9.3
162.34601	2.0
163.07587	17.0
165.09131	31.7
167.07095	9.2
171.08098	2.9
173.05937	3.0
175.10989	2.1
177.05394	1.8
177.09126	7.8
179.10698	10.3
181.04970	27.7
181.08559	6.4
183.06430	2.5
185.09512	2.8
187.07613	2.4
189.05492	5.1
189.09093	17.2
191.07133	1.8
191.10674	1.8
195.10069	2.4
203.08630	2.1
203.10547	3.0
205.08713	2.2
207.10179	42.9
213.09164	2.3
213.15974	2.2
217.08527	4.2
219.08138	2.1
219.10121	3.8
221.11734	5.6
225.11201	4.1
227.10616	3.5
229.08704	1.9
231.10217	11.5
234.38936	1.8
239.12775	40.4
245.11719	11.6
247.07484	2.2
249.11234	9.5
255.10112	3.8
261.11523	2.2
269.08075	2.3
273.11154	10.3
279.10321	2.4
281.13867	32.3
291.12460	4.5
305.13873	2.5
315.08661	10.9
323.14886	4.9
330.11026	13.0
347.14917	16.2
351.12326	2.4
359.77014	2.0
365.15939	9.0
383.16577	10.9
391.71646	2.5
401.18161	21.4
401.28485	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.9
55.01880	22.7
55.05507	19.2
56.96562	6.5
57.03432	13.1
59.96361	3.7
61.02934	4.6
65.03931	4.7
67.05511	31.1
68.99799	8.0
69.03449	47.7
69.07060	14.6
70.06593	7.3
70.49313	12.9
71.04986	12.3
72.08149	18.3
72.33295	4.7
73.02938	6.1
79.05504	48.1
81.03430	60.0
81.07070	97.8
83.04974	19.4
85.02916	47.7
85.06537	5.8
86.09705	48.0
87.00836	20.6
91.05495	39.0
93.07054	63.2
95.04985	41.9
95.06033	3.9
95.08617	22.6
97.02901	24.2
97.06538	15.5
98.21378	5.2
99.04465	19.7
103.03946	12.4
105.01875	12.4
105.07047	47.8
107.04955	26.3
107.08614	59.0
109.02888	10.6
109.06525	49.7
109.10186	25.7
111.04447	13.3
111.08068	5.1
111.89189	3.9
113.05930	3.8
115.03922	7.8
115.05445	5.9
117.07027	17.7
119.04925	8.4
119.08592	74.6
121.06512	25.3
121.10174	31.9
123.03583	7.0
123.04443	100.0
123.08102	7.9
123.11665	5.0
124.05290	4.6
124.18235	4.2
125.05995	10.7
127.03910	10.6
127.07508	4.8
128.06203	5.0
129.01834	11.7
129.07002	14.4
129.10306	4.3
131.08562	25.6
133.06369	4.6
133.10170	20.2
135.08095	7.9
135.11707	33.9
137.05936	9.0
137.09607	15.3
141.05458	13.3
141.07031	7.4
142.07771	11.7
143.08603	19.8
144.05719	5.6
145.04956	5.3
145.06461	7.0
145.10127	38.1
147.02887	9.5
147.08029	12.4
147.11691	18.3
149.05986	7.0
151.07558	24.3
151.11136	11.5
155.08582	5.5
156.05739	5.5
156.09338	5.4
157.10156	28.1
159.02892	12.9
159.08102	16.2
159.11707	28.0
163.03934	4.9
163.11183	16.2
165.06996	5.2
167.07062	63.6
169.10139	12.3
171.11691	11.2
173.13269	7.4
175.11166	10.4
177.12825	5.1
179.07059	15.1
181.05037	7.1
181.12202	8.1
183.11746	9.3
185.09581	5.2
187.07530	11.0
187.11206	7.2
189.03995	9.8
189.12726	6.8
192.09290	5.8
193.12282	6.2
195.11937	5.6
197.08131	8.4
197.13315	7.1
201.12791	11.5
205.08644	11.3
208.05212	10.5
215.14294	7.8
217.08611	20.2
219.08211	7.2
219.10085	7.0
219.13733	10.0
221.05978	5.9
225.12750	15.5
231.08128	5.8
243.13832	18.5
247.07446	4.5
247.09720	10.4
261.14853	9.0
263.10999	5.2
269.08008	14.2
271.09619	4.4
279.10107	5.6
282.08850	9.1
283.08374	4.5
289.08829	4.7
290.09454	6.1
291.10275	8.9
293.08023	6.2
293.11630	4.4
301.09036	10.2
307.09433	5.3
310.08517	4.8
315.08594	48.3
319.09500	5.4
323.12671	10.3
330.10953	49.7
339.12482	5.3
343.11609	14.0
351.12283	12.2
365.15875	10.5
380.20499	6.0
383.14624	43.9
389.20792	11.5
401.16122	13.5
401.28162	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.7
55.01875	3.7
55.05502	9.5
56.05015	2.2
56.83503	1.8
57.03423	7.2
61.02924	2.6
65.03935	2.4
67.05500	9.6
67.45697	2.0
69.03428	17.9
69.07050	4.8
70.06590	23.2
71.01364	2.1
71.04978	3.9
71.52458	2.6
72.08157	100.0
79.05505	15.5
81.03416	29.6
81.07037	6.6
83.04974	8.8
84.04502	5.3
84.08134	9.6
85.02906	16.3
85.06538	2.4
86.09710	74.4
88.04037	2.1
91.05483	26.2
91.17523	2.1
93.07044	10.8
95.04992	5.4
95.08591	6.1
96.41250	2.1
97.02890	19.4
97.06516	2.2
97.93497	2.3
103.05484	2.4
105.07018	3.2
107.04955	27.4
109.02864	4.8
109.10144	5.8
111.04354	2.3
112.08707	2.6
115.05456	3.2
116.06258	2.9
116.07070	3.2
117.07024	4.1
117.27309	2.4
119.08578	28.2
121.06520	2.5
121.10164	3.8
123.04428	8.0
123.08108	2.8
124.05247	5.3
127.03919	6.6
129.06982	5.9
129.10216	5.7
131.04961	4.8
131.08577	5.3
135.08066	4.2
136.07619	3.4
137.05977	3.2
137.09618	21.2
141.06956	5.6
144.05698	2.2
145.06459	4.3
147.08009	4.4
147.73289	1.9
153.05490	3.9
153.09077	2.6
156.05678	8.6
159.08043	7.1
165.09132	21.7
167.07060	77.5
168.22743	2.0
169.06451	2.7
171.14948	4.2
173.06029	5.9
173.09337	2.1
174.06667	2.5
181.04956	5.0
181.08618	3.8
183.10173	14.3
183.55183	1.9
185.16490	26.2
186.06770	2.2
187.07571	7.8
189.08897	2.8
189.12355	32.7
190.07797	2.9
191.07065	3.3
191.08588	4.2
197.68553	2.2
199.14407	3.3
201.09082	2.4
202.06146	3.3
202.07928	4.0
203.08607	4.0
205.06744	3.6
205.08508	14.0
207.06512	5.3
207.10181	2.1
208.05142	15.4
211.07422	3.0
213.15977	32.0
217.08632	16.9
218.07318	5.3
219.08057	15.6
219.09969	3.4
220.08807	4.0
221.05989	8.4
221.11720	7.5
229.08615	5.6
231.08063	7.1
232.08882	3.4
233.09630	7.7
234.06825	3.9
235.07544	4.4
236.04700	9.1
236.08321	4.0
239.12749	2.8
240.04266	2.3
241.08504	2.9
245.09642	3.6
246.06876	3.1
246.28030	2.3
247.07509	19.0
247.09758	5.8
248.08305	11.1
249.05493	3.0
249.09055	4.4
251.10634	4.3
254.05823	10.2
256.03207	2.2
257.13858	4.1
259.07538	4.0
261.09045	6.6
262.09933	5.2
263.07013	4.7
263.10828	10.1
264.07870	9.2
265.08508	7.6
267.06488	6.6
269.08090	23.6
271.09543	6.0
272.06842	3.7
275.07022	10.1
276.07855	10.4
277.08685	7.3
278.05685	2.5
279.06830	2.8
279.10159	13.6
280.10712	3.9
281.07993	4.9
282.05518	4.2
282.08829	14.9
288.40491	2.3
290.09326	6.3
291.09979	15.4
292.07306	5.4
293.08069	8.4
299.08987	6.9
305.08066	4.1
307.09668	14.4
308.10342	5.1
310.08414	8.4
311.12708	5.3
312.22794	6.0
315.08618	81.1
316.08716	2.5
319.09763	10.0
321.07617	4.9
321.11087	3.0
322.12180	2.8
323.12756	14.4
325.10556	2.7
328.09409	6.5
330.10986	89.9
331.11630	9.2
335.09229	4.2
336.09750	5.3
337.10782	10.6
338.07867	3.2
339.12228	14.2
343.11771	22.9
351.12305	26.6
352.12918	4.2
353.10278	10.4
356.12506	4.5
368.12433	13.4
369.13104	4.8
371.14786	8.0
383.14877	99.5
401.18399	37.4
401.28445	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1599
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03946	2.0
57.03431	2.4
65.03944	1.8
67.05508	1.9
69.03440	2.8
69.07063	3.1
69.47272	9.8
70.06593	2.2
70.39389	1.5
78.04717	3.0
79.05495	14.7
81.03413	5.6
81.07057	4.9
84.08158	1.7
86.09695	3.1
91.05489	8.4
93.07051	4.7
95.04967	4.6
95.08666	1.5
97.02906	11.3
98.03198	1.9
103.05485	2.4
105.07027	4.9
107.04292	2.6
107.04960	26.7
107.08627	1.8
109.10159	2.9
115.05462	4.0
117.07022	7.0
119.08585	4.5
120.08128	2.8
121.06474	2.9
121.10133	2.5
123.04421	3.9
124.05214	4.2
125.05919	2.0
127.03908	1.9
127.05589	2.1
128.06264	2.4
129.07014	5.9
131.04951	4.3
131.08583	8.5
133.06410	2.0
135.04430	1.4
135.11659	2.3
137.06001	1.7
137.09636	2.4
141.06993	3.6
143.05003	1.6
144.05717	5.5
145.06500	4.8
148.07622	1.7
152.04729	2.4
153.05504	1.6
156.05714	10.6
157.06573	2.0
158.07283	3.3
159.08067	12.9
161.05978	2.2
163.03917	6.7
165.06998	2.8
167.07048	86.0
169.07631	2.0
170.07391	1.6
173.02391	2.0
173.05975	5.9
175.07599	2.3
177.05493	2.3
179.07123	1.8
181.05067	1.7
181.08490	1.6
182.07211	1.8
184.05104	3.4
186.06741	2.7
187.04007	3.0
187.07597	8.3
191.08534	2.6
193.08624	2.1
194.07433	1.8
195.06480	2.3
197.05872	1.5
199.03845	1.9
202.06238	6.4
202.07932	2.8
203.08633	1.8
204.07819	2.0
205.06715	3.0
205.08517	12.6
207.06474	8.4
208.03300	2.2
208.05193	23.6
209.06033	1.5
210.41920	1.6
211.07648	2.8
215.06767	1.6
217.08600	29.3
218.07188	3.6
219.08055	9.8
219.10213	4.1
220.08853	4.2
221.06052	5.3
225.05443	2.4
229.08582	5.5
230.07211	3.0
231.06245	2.1
231.08139	5.0
231.10175	2.0
233.05994	2.8
233.09666	5.9
235.07530	4.0
236.04697	8.7
236.08383	4.1
238.06102	2.1
239.07187	2.7
241.08554	2.6
246.06902	2.3
247.07513	12.8
247.09718	17.7
248.08348	12.0
249.05490	3.6
249.09192	3.7
250.06219	2.0
251.10667	1.8
254.05745	7.8
259.07550	2.4
261.09171	4.3
262.10010	3.3
263.07184	3.9
263.10513	7.0
264.07864	6.6
265.08630	5.0
267.06610	5.4
269.08109	27.8
271.05759	1.8
271.09689	7.8
272.06873	4.7
275.07013	5.0
276.07883	5.5
277.08710	4.7
279.10257	6.0
280.07520	1.8
281.08179	2.2
282.05270	4.4
282.08865	12.6
283.09613	2.8
287.09244	3.6
290.09402	4.9
291.10126	11.7
292.07269	3.8
292.10599	1.6
293.08148	12.3
293.11237	2.7
294.08841	2.4
296.06699	1.7
296.10272	2.1
297.07617	2.2
299.09161	4.0
300.06335	2.2
301.07120	5.5
303.23587	1.5
305.08142	3.9
307.09692	9.3
308.10397	5.7
309.07742	1.6
309.11093	1.9
310.08426	6.7
311.12836	3.1
315.08636	97.0
316.08847	1.5
318.08640	2.2
319.09665	5.5
321.07581	5.3
321.11032	2.2
323.09317	3.0
323.12738	13.9
325.10638	3.5
327.12030	2.1
328.09439	3.0
330.10995	100.0
331.11627	11.3
335.09085	1.8
336.09946	2.4
337.10669	6.6
339.12311	12.8
343.11783	18.0
350.11353	2.1
351.12286	23.1
352.13043	2.8
353.10159	7.4
355.12051	1.9
356.12674	4.1
368.12589	7.8
369.13351	6.0
371.14954	5.9
373.16672	2.3
383.14896	69.9
384.15115	1.7
401.16220	28.5
401.21124	1.2
401.28522	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	399.3258
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
55.05506	7.0
57.03422	1.9
67.05230	0.8
67.05511	8.1
69.07071	62.7
70.69669	1.9
71.04956	1.0
73.06554	9.3
79.05495	7.1
80.16309	1.0
81.07059	22.2
83.08619	7.4
83.62988	0.9
85.06541	1.1
91.05482	5.8
93.07047	10.0
95.04954	1.5
95.08611	19.6
96.37537	0.8
97.06538	11.0
97.10136	1.3
97.15088	0.9
99.08097	3.7
105.07033	21.3
107.08599	17.0
109.06526	2.9
109.10162	13.2
115.07578	8.4
117.07013	3.1
119.08591	8.3
121.06528	2.4
121.10155	19.8
123.08112	1.5
123.11741	4.8
125.09645	9.4
127.11202	2.9
131.08585	5.5
133.10167	8.9
135.11723	12.2
137.09654	1.6
137.13329	1.3
139.11151	1.3
143.08556	2.1
145.10136	15.8
147.11705	11.1
149.13274	8.5
157.10144	2.1
159.11714	13.0
161.13268	26.2
163.11217	2.4
163.14844	3.0
165.12755	1.2
171.11771	1.9
173.13269	9.0
175.14874	5.5
177.16397	2.3
181.12244	5.3
185.13254	2.7
187.14865	1.2
189.16434	3.6
197.13312	1.1
199.14880	3.3
201.16440	2.0
203.17949	3.3
213.16367	0.9
215.17966	6.9
217.19508	11.9
227.17940	2.0
229.19582	1.1
231.21173	1.8
253.19536	4.0
255.21098	100.0
256.21414	1.1
257.22583	1.7
271.20499	1.1
273.22211	3.2
283.24188	1.1
285.25772	27.9
349.84799	1.0
377.72623	1.0
381.31558	20.8
399.32596	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03949	1.9
55.05496	2.0
55.63168	1.7
56.11517	1.6
57.03442	2.0
67.05504	4.1
69.03416	4.4
69.66999	11.1
70.06599	8.6
72.08150	21.6
78.04682	2.3
79.05489	12.0
81.03423	2.7
81.07060	5.0
84.08128	2.7
85.02897	6.7
86.06058	1.8
86.09701	23.7
88.94831	1.7
91.05483	7.8
92.05823	1.6
93.07029	5.9
95.04960	4.2
97.02874	4.2
103.05434	2.2
105.06996	3.5
106.04173	1.9
107.04964	28.2
107.08610	3.8
109.10165	2.5
115.05428	4.9
116.06290	2.3
116.07102	4.6
117.07051	3.2
119.08556	3.5
121.06496	3.6
123.04398	3.2
123.08022	2.6
124.05201	6.7
125.06032	2.7
126.41367	1.7
127.03933	4.9
129.06989	5.3
131.04921	5.3
131.08575	6.5
137.05992	3.5
141.06985	3.5
142.03198	1.9
143.11787	2.3
144.05692	4.5
145.04968	2.3
145.06483	4.1
147.04408	2.1
147.11772	2.1
149.05994	4.4
151.07437	2.7
152.04665	2.9
153.05534	1.7
156.05704	9.3
157.06349	1.9
159.08040	11.6
159.09183	2.7
161.05981	2.4
163.03928	3.6
167.07050	86.1
169.06458	3.2
171.14958	2.5
173.05991	4.9
173.09460	2.6
174.06761	2.8
177.05461	5.8
179.06953	2.6
182.07317	1.9
184.05132	2.6
185.16429	3.7
186.06728	2.9
187.07520	6.8
189.12453	3.2
190.06229	2.2
190.07799	2.2
191.07028	5.8
193.08681	2.4
195.06511	3.5
199.17920	2.3
202.06204	4.6
203.08527	2.6
203.17871	3.3
204.07771	1.9
205.06671	3.7
205.08609	13.1
207.06483	2.7
208.05190	19.1
209.08070	2.8
213.16025	4.2
217.08557	27.0
218.07260	3.0
219.08028	12.8
219.10144	4.8
220.08850	3.1
221.05945	6.1
229.08568	5.6
231.08047	9.7
231.10080	2.5
233.05956	3.5
233.09612	4.7
235.07533	4.0
236.04689	8.0
236.08255	3.4
238.06223	2.0
239.07018	3.0
245.09596	3.7
246.06677	2.6
247.07466	12.0
247.09708	21.0
248.08401	10.0
249.05399	4.1
249.09062	4.9
251.10559	2.1
254.05875	8.9
259.07574	3.5
261.09113	5.8
262.06339	1.9
262.09833	3.7
263.07153	1.9
263.10648	8.9
264.07715	7.5
265.08685	5.2
267.06464	6.9
268.03693	2.5
269.08081	28.1
271.09601	5.8
272.06790	5.0
275.07053	4.8
276.07809	9.5
277.08566	2.9
278.09528	1.8
279.10263	8.2
280.10886	3.5
281.08105	3.4
282.05399	5.4
282.08884	15.9
289.08582	2.9
290.09335	3.8
291.10117	13.3
292.07373	6.1
293.08102	7.3
294.08603	2.7
299.09036	3.4
300.06354	2.5
305.08057	3.5
305.11438	2.6
307.09625	11.6
308.10403	7.2
310.08316	6.3
311.09033	1.9
311.12775	3.4
315.08612	84.9
319.09641	8.1
322.11682	2.7
323.09335	3.2
323.12683	11.8
325.10583	2.7
328.09372	5.2
330.10977	100.0
331.11606	12.0
335.09152	2.1
336.09839	6.9
337.10614	5.7
339.12274	11.2
343.11807	21.4
349.36157	2.1
350.11472	2.6
351.12305	30.7
352.12955	4.7
353.10181	6.7
356.12402	2.6
368.12610	9.4
369.13245	7.4
371.14954	8.0
383.14902	79.8
383.19873	3.9
401.16196	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.05515	7.3
57.03429	2.2
67.05508	9.4
69.03432	1.4
69.07074	68.9
69.97897	4.0
73.06565	7.5
75.25306	0.9
79.05502	8.0
81.07061	23.2
83.08636	6.3
91.05505	7.1
93.07054	13.3
95.04945	1.3
95.08613	18.6
97.06539	11.0
97.10151	1.7
99.08109	2.7
105.07043	17.9
107.08604	19.2
109.06505	3.3
109.10170	11.3
115.07566	7.8
115.80014	1.1
117.07024	4.4
119.08605	11.9
121.06541	2.9
121.10149	16.8
123.08045	1.1
123.11725	4.4
125.09640	9.3
127.11191	2.2
129.06953	1.5
130.07878	1.0
131.08603	6.3
133.10147	8.6
135.11710	10.9
139.11189	1.2
143.08517	1.7
145.10132	20.0
147.11707	11.4
149.13261	11.0
157.10248	2.4
159.11705	15.6
161.13278	24.4
161.14621	1.2
163.14816	3.4
171.11661	1.3
173.13272	8.0
175.14813	5.1
177.16357	2.3
181.12263	2.1
184.12915	1.0
185.13281	1.3
187.14839	2.4
189.16373	2.8
199.14793	2.6
201.16409	2.3
203.17992	3.2
215.17973	5.4
217.19542	7.7
227.17999	1.8
230.19987	1.1
253.19562	1.8
255.21100	100.0
256.21420	3.0
257.22784	1.4
268.84677	1.1
273.22119	2.4
283.24158	1.4
285.25781	27.4
381.26816	1.3
381.31561	14.6
399.32617	39.1
400.32855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
55.99618	0.9
57.03432	3.5
60.87529	0.7
67.05515	7.8
69.07071	64.3
69.52656	5.3
69.53062	1.7
71.86206	0.9
73.06239	1.0
73.06566	9.5
79.05496	6.5
81.07063	20.7
83.08612	6.8
91.05497	5.0
93.07050	12.5
95.04960	1.5
95.08613	16.5
97.06547	10.1
97.10191	1.8
99.08114	2.0
105.07036	15.4
107.08591	18.6
109.06488	1.7
109.10159	10.1
115.07571	9.6
117.07031	2.2
119.08584	10.7
121.06517	1.8
121.10154	18.7
123.08079	1.0
123.11705	3.6
125.09649	8.7
127.11238	2.7
131.08601	5.6
133.10133	7.6
135.11691	11.5
137.09705	1.3
137.13275	1.3
143.08482	1.5
145.10136	15.0
147.11708	9.8
149.13261	10.1
157.10135	2.3
159.11700	11.0
161.13268	27.1
163.11122	1.4
163.14854	3.5
171.11679	1.9
173.13239	6.9
175.14854	5.5
175.20769	1.0
177.16396	1.2
181.12242	4.1
185.13309	2.0
187.14870	2.3
189.16405	3.2
199.14830	2.9
201.16399	2.8
203.17986	2.5
215.17995	4.5
217.19522	10.1
227.18086	1.3
253.19666	1.1
255.21094	100.0
257.22464	1.3
271.20572	1.4
273.22223	1.9
282.45987	1.0
285.25757	28.5
381.31552	16.9
399.32587	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05505	2.9
56.84001	1.2
57.07057	1.6
61.02925	1.8
67.05495	5.8
69.03422	3.8
69.07058	4.7
70.03428	3.8
70.03821	2.7
70.06544	1.1
71.04995	1.1
72.08144	1.8
79.05513	2.6
81.03416	4.0
81.07072	10.8
83.08601	1.6
85.02911	12.5
85.06532	1.2
91.05468	3.3
93.07038	7.5
95.07434	1.1
95.08601	5.8
97.02901	6.4
97.06515	4.9
98.20892	1.3
105.07024	4.5
107.04969	1.4
107.08591	11.2
109.06506	3.0
109.10139	10.5
111.04391	1.4
111.08087	31.2
117.07031	2.1
119.08559	4.0
120.08112	1.2
121.06509	3.5
121.10140	8.0
123.08073	3.2
123.11711	11.7
125.09647	2.2
126.97513	1.1
127.03910	4.3
131.08539	3.2
133.10118	3.6
135.08087	6.0
135.11713	13.3
138.09148	1.5
139.24100	1.1
145.04913	3.4
145.10139	3.8
147.11694	1.5
149.09631	15.8
149.13322	1.6
159.11696	3.7
161.13274	7.1
163.05991	2.8
163.11201	9.2
166.08592	2.2
177.16342	3.2
181.05020	1.3
201.16357	6.8
204.15021	1.9
219.17453	100.0
237.18527	42.4
296.00143	1.2
326.52963	1.6
399.22363	2.4
399.27219	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	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
55.06510	1.0
57.03426	3.9
67.05509	6.8
69.03400	1.1
69.07072	67.8
70.69436	1.1
70.69762	1.8
71.32979	1.0
73.06556	10.4
79.05510	6.7
79.30695	1.0
81.07063	22.0
83.08608	6.7
91.05477	4.6
93.07049	10.5
94.83070	1.1
95.08604	16.8
97.06527	11.0
97.10118	1.6
99.08083	4.0
105.07037	18.1
107.08602	16.3
109.06513	2.0
109.10174	12.1
109.26703	1.0
115.07556	10.9
117.07018	4.7
119.08606	11.4
121.06496	1.8
121.10152	17.2
123.08062	1.2
123.11694	3.6
125.09631	11.5
127.11182	2.2
128.50249	1.0
129.07011	1.3
131.08560	6.5
133.10120	7.5
135.11691	12.8
137.13243	1.8
139.11317	1.4
143.08640	2.6
145.10141	15.0
147.11700	12.8
149.13289	8.7
149.34799	1.0
157.10121	1.2
159.11690	12.4
161.13261	25.0
161.31837	1.3
163.14876	3.1
171.11761	1.1
173.13264	6.9
175.14812	5.7
177.16423	2.2
179.14404	1.4
181.12222	4.3
185.13298	1.4
187.14749	1.7
189.16348	3.1
199.14873	2.7
201.16354	2.2
203.17984	2.7
211.14763	1.2
213.16389	1.3
215.17946	4.7
217.19566	6.6
231.21072	1.2
253.19637	1.6
255.21097	100.0
256.21555	1.3
257.22623	1.8
273.22101	1.6
285.25766	30.6
319.85172	1.0
363.30426	1.6
381.31500	16.2
381.36276	1.4
399.32587	47.2
400.32971	1.0
411.36060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05517	7.3
57.03430	2.3
62.85010	0.7
67.05512	8.1
69.07076	59.2
70.96287	1.6
73.06563	7.8
79.05499	5.7
81.06596	1.3
81.07063	18.8
81.38652	0.7
83.04986	1.3
83.08628	6.8
85.06542	1.2
91.05492	7.5
93.07055	11.6
95.04931	1.3
95.08612	14.5
97.06541	9.4
97.10151	1.9
99.08100	3.1
105.07038	17.3
107.08603	14.3
109.06513	2.4
109.10168	11.6
115.07575	8.0
117.07043	4.0
119.08588	10.2
121.06492	1.7
121.10155	16.0
123.11694	2.5
125.09634	10.0
126.11224	0.7
127.11192	2.0
131.08578	5.9
133.10164	6.9
135.11713	12.9
137.13284	1.2
139.11128	0.8
143.08542	1.5
145.10136	14.9
147.11708	9.0
149.13272	9.3
151.14804	1.5
155.25880	0.8
157.10150	1.0
159.11708	11.0
161.13266	23.9
163.14806	2.7
171.11711	1.3
173.13261	7.7
175.14891	6.4
177.16399	2.0
181.12233	3.8
185.13333	1.7
187.14874	2.3
189.16359	3.3
199.14828	2.4
201.16385	1.9
203.17938	2.8
213.16380	1.8
215.17950	3.9
217.19518	7.8
229.19417	0.8
231.21043	0.9
253.19536	1.8
255.21101	100.0
256.21497	1.0
267.21063	0.8
269.03177	0.8
273.22131	2.8
283.24240	1.6
285.25784	28.9
333.38882	0.7
381.31570	16.8
399.32599	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	18.0
57.03423	8.6
66.76710	9.0
69.03426	23.4
69.49226	57.3
72.42139	8.7
73.02912	8.8
85.02880	14.8
97.02908	94.8
98.97601	54.1
102.05532	25.4
110.97559	13.6
116.98549	12.3
131.00160	10.8
136.06189	98.6
147.03079	15.9
149.01265	10.8
156.03587	16.9
158.99663	47.4
161.54958	9.0
170.99596	15.6
177.00746	24.1
189.00771	13.2
219.01677	29.5
219.87497	10.2
226.86790	12.6
228.05716	72.9
228.55876	12.7
237.02844	10.1
237.06320	8.2
244.06496	8.7
247.26286	8.9
248.89723	9.7
249.02817	11.5
250.09375	100.0
279.03796	23.5
298.09665	20.8
339.05420	10.8
357.06708	9.9
399.01514	16.2
399.06177	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	31.7
61.02913	16.6
69.03413	21.0
70.22681	41.2
71.85157	12.7
75.16487	17.1
80.70208	14.6
85.02904	27.2
85.06544	15.7
89.03934	13.8
95.04940	14.5
97.02905	49.6
98.97569	66.7
105.12523	12.0
110.97540	18.4
116.98639	14.6
123.04411	17.5
128.98631	30.2
131.00153	15.1
135.04430	26.2
136.06200	48.8
137.06096	14.5
143.00220	14.2
150.60094	13.1
153.03802	13.3
156.03673	17.9
158.99663	15.4
163.03911	100.0
183.75307	14.7
196.54234	15.1
217.92502	13.6
219.01730	35.8
228.05743	60.1
237.02747	17.6
250.09288	67.8
255.01610	20.1
267.14499	13.2
273.02609	14.1
297.02603	17.3
314.53149	13.0
339.04108	18.6
357.06339	14.6
399.06662	44.8
399.10736	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	399.2382
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03936	0.7
55.01870	0.7
55.05508	2.1
57.03421	1.2
57.07061	1.2
61.02927	1.1
67.05511	3.1
69.03432	3.7
69.07069	3.3
79.05479	2.6
81.03400	2.1
81.07066	5.8
83.04980	0.8
83.08617	1.8
85.02909	7.5
91.05482	2.0
93.07062	5.7
95.04950	1.0
95.08605	4.0
97.02906	3.3
97.06541	5.4
105.07034	3.4
107.04929	0.9
107.08588	6.7
109.02869	0.7
109.06561	0.9
109.10138	4.1
111.08091	19.7
117.06985	1.0
119.08575	3.5
121.06519	2.7
121.10143	6.0
123.08071	2.1
123.11726	8.2
127.03897	1.9
131.08537	1.7
133.10112	1.1
135.08072	6.2
135.11705	9.3
137.05960	0.9
137.09622	1.6
143.08600	0.9
145.04950	2.6
145.10147	3.9
147.11624	1.1
149.09634	11.3
149.13283	1.4
151.11198	1.0
159.11734	2.7
161.09615	1.1
161.13264	7.1
163.05997	1.8
163.11194	22.1
173.13213	0.7
175.14812	1.1
176.11966	1.4
177.12738	1.2
177.16360	1.9
191.18024	1.8
191.77635	0.8
201.16396	3.0
204.15154	1.3
219.17455	100.0
220.17825	1.4
237.18501	36.1
238.18871	0.7
259.21103	0.7
399.10486	1.4
399.19815	0.8
399.32416	0.9
412.31494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80526	0.4
53.03923	1.0
55.05516	4.2
56.05036	0.5
57.07051	0.5
58.06605	10.8
60.84821	0.4
65.03939	0.4
67.05510	13.2
68.05825	0.4
69.03395	0.4
69.07075	4.0
70.06587	0.7
70.82102	0.4
70.82430	0.8
71.04981	0.8
72.08150	0.9
79.05495	6.5
81.07063	15.5
83.04949	0.8
83.08585	1.8
84.04496	0.4
84.08115	0.7
85.06507	1.2
91.04996	0.4
91.05489	4.6
93.06495	0.6
93.07045	7.3
94.07356	0.4
95.04950	0.6
95.08611	12.9
96.08116	0.6
97.02869	0.6
97.06506	1.3
97.42346	0.4
98.09684	2.8
99.08033	0.7
105.07035	3.2
107.08607	5.2
108.94255	0.4
109.06493	0.6
109.10163	4.6
111.08003	0.4
112.07584	0.4
112.11230	0.6
117.06998	1.2
119.08587	2.4
121.10174	3.1
123.08028	0.8
123.11694	1.2
125.09575	0.4
131.08595	2.3
133.10080	1.1
135.07965	0.5
135.11687	1.4
137.13272	0.5
145.10124	1.4
147.11641	1.3
149.09622	0.4
149.13216	1.7
157.10028	0.5
159.11699	0.9
161.09610	0.5
161.13277	0.4
163.14801	0.6
170.82120	0.4
173.13266	1.0
177.12712	0.6
194.15417	0.5
196.16939	2.0
198.74649	0.4
237.14729	0.5
264.23230	10.6
282.24286	83.3
283.24570	1.3
287.80762	0.4
339.16360	0.5
380.24564	0.6
380.30096	0.8
398.25400	100.0
399.10907	0.7
399.25653	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	398.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.8
56.05026	0.4
56.96553	0.6
57.03438	0.4
57.07068	0.5
62.06064	0.6
67.05482	1.9
69.03415	0.6
69.07067	3.2
69.89983	2.2
70.06571	0.7
70.40812	0.4
71.08640	5.4
72.08134	1.6
79.05459	1.7
81.03411	0.5
81.07066	2.5
81.07458	0.4
83.04988	0.5
83.08619	0.6
84.08115	1.3
85.02892	0.7
86.06057	2.6
93.07060	2.3
95.04963	0.4
95.08627	2.7
96.08134	2.6
97.06493	0.7
97.10153	0.8
98.06041	1.1
98.09705	2.0
99.08115	2.9
105.07016	0.9
107.08611	1.0
108.08107	1.4
109.10158	0.7
110.09630	0.5
116.09915	0.8
116.10738	17.3
119.08553	0.7
121.10117	1.4
122.09666	1.5
123.08065	0.6
124.07545	0.6
125.09576	0.4
126.09085	0.6
133.10152	0.5
136.11292	0.4
139.11111	0.8
140.10696	0.8
143.10681	1.8
145.10080	0.5
147.11711	0.5
154.15907	2.8
164.14345	0.7
166.15929	2.4
168.17497	0.6
178.15901	1.3
196.16962	7.6
211.13350	0.7
212.85883	0.5
214.18028	100.0
215.18362	1.1
228.16000	0.7
229.14296	2.4
235.58118	0.4
254.19794	0.6
256.26395	1.6
267.09167	0.5
282.20718	2.7
285.10025	0.9
300.21741	4.4
318.30023	2.1
349.16959	0.5
380.27762	1.0
398.24219	42.6
398.29114	5.2
399.24417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20314	0.2
53.97309	0.2
54.98662	0.3
56.96570	5.9
69.44741	1.4
71.95267	2.4
87.88564	0.3
98.97588	87.7
116.98626	34.1
130.93301	0.7
134.99673	7.6
140.00209	1.0
153.00760	0.3
158.01309	0.3
160.56097	0.3
172.94360	3.8
189.71426	0.3
190.95374	2.0
194.23366	0.2
197.95244	0.3
208.96466	0.6
214.95389	3.0
223.31577	0.2
230.98766	0.3
232.96475	6.3
250.97543	2.4
256.96445	18.0
258.99747	3.5
261.03085	0.8
263.02744	0.4
274.97519	100.0
275.97949	1.0
277.00854	3.2
283.00021	0.5
284.99866	0.4
290.30328	0.3
292.98569	45.1
297.99146	2.2
298.97855	0.7
301.01096	0.6
303.00964	0.4
315.95718	0.3
316.00168	1.0
316.98926	0.8
353.12738	0.4
357.03787	0.4
374.98322	0.4
375.97696	0.4
398.97635	2.2
416.98688	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	398.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13086	1.5
51.53350	1.4
53.03946	1.4
57.03437	3.7
57.07086	7.7
65.03941	1.8
67.05508	34.6
68.99821	1.2
69.03416	1.7
69.07065	3.6
70.06590	6.0
71.04987	4.3
71.39096	2.1
73.02892	2.1
84.08146	2.7
85.02902	2.0
85.06548	89.6
85.82316	1.1
86.09704	1.5
87.00826	3.6
91.05484	25.9
93.07040	3.6
95.04974	48.2
97.02874	1.6
98.76059	1.2
103.05464	3.6
107.04945	1.8
113.06008	38.5
119.04953	70.3
120.08113	2.7
121.06511	6.9
123.04437	100.0
131.04884	1.5
131.07056	46.9
132.08073	2.9
134.05981	1.8
135.06787	2.6
136.07590	37.0
137.05991	3.1
143.08626	2.0
147.04419	39.7
148.07581	1.4
160.07578	3.3
165.05490	81.7
171.08047	1.8
173.09505	1.6
174.09155	4.8
185.09613	5.3
188.10667	2.7
189.09126	2.2
199.05978	1.7
202.12262	17.0
202.13918	1.8
203.10661	4.1
204.13841	5.6
213.09044	1.3
217.07036	2.8
220.13336	28.0
230.11670	3.0
231.10274	7.1
233.11678	6.2
235.09665	1.5
248.12836	12.5
249.11140	1.9
250.14381	3.7
262.14529	3.1
266.13876	44.6
277.10843	2.4
293.58588	1.3
295.11816	2.8
308.14951	21.1
312.14420	36.3
334.13135	2.4
335.11478	3.8
337.12827	5.2
352.13940	51.9
354.15433	4.8
380.13171	2.1
381.11798	14.4
398.14465	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01867	7.6
55.05515	1.9
57.03437	7.5
57.07083	9.6
59.05005	58.9
61.02930	7.2
64.54491	1.3
68.99802	2.2
69.03435	33.8
69.60241	7.5
70.06590	2.3
71.04993	4.7
73.02908	4.7
81.03423	20.9
81.07035	1.8
85.02908	100.0
87.00832	51.5
91.03969	2.2
97.02306	2.5
97.02899	34.8
97.03522	1.8
98.20854	2.6
99.04451	11.6
105.01871	90.6
105.07014	1.7
109.02883	29.3
115.10442	1.6
115.11219	22.9
117.01860	1.9
127.03923	69.4
129.01816	2.1
133.12242	15.8
137.05963	1.7
145.04970	29.5
159.02917	11.1
182.04878	3.1
183.18509	1.4
189.03868	3.1
213.03960	4.2
218.16241	1.9
231.05022	23.4
249.06105	7.4
257.39136	1.5
258.26364	1.3
266.10718	3.3
398.15591	1.5
399.10446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01867	7.6
55.05515	1.9
57.03437	7.5
57.07083	9.6
59.05005	58.9
61.02930	7.2
64.54491	1.3
68.99802	2.2
69.03435	33.8
69.60241	7.5
70.06590	2.3
71.04993	4.7
73.02908	4.7
81.03423	20.9
81.07035	1.8
85.02908	100.0
87.00832	51.5
91.03969	2.2
97.02306	2.5
97.02899	34.8
97.03522	1.8
98.20854	2.6
99.04451	11.6
105.01871	90.6
105.07014	1.7
109.02883	29.3
115.10442	1.6
115.11219	22.9
117.01860	1.9
127.03923	69.4
129.01816	2.1
133.12242	15.8
137.05963	1.7
145.04970	29.5
159.02917	11.1
182.04878	3.1
183.18509	1.4
189.03868	3.1
213.03960	4.2
218.16241	1.9
231.05022	23.4
249.06105	7.4
257.39136	1.5
258.26364	1.3
266.10718	3.3
398.15591	1.5
399.10446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14015	0.5
53.03948	2.0
55.01857	1.2
55.05491	0.7
56.05023	0.7
57.03440	1.1
57.07067	0.7
60.04500	0.7
61.02899	0.7
67.05504	2.4
68.99810	0.6
69.03428	6.1
69.07056	1.2
70.06595	5.5
71.04995	1.0
71.10062	1.1
72.08166	2.9
73.02913	1.4
80.04021	0.5
81.03428	4.5
81.07073	0.7
83.04967	0.5
84.04487	1.3
84.08156	3.9
85.02911	15.2
85.06545	5.7
86.09708	2.3
87.00835	7.4
91.05469	2.1
93.07076	0.7
95.04974	3.4
97.02895	7.9
98.01865	0.5
99.04459	2.0
101.06027	0.9
103.05477	0.8
104.04976	4.1
105.01868	8.2
109.02898	8.4
110.07163	1.1
113.06010	2.2
118.06548	1.4
119.04966	4.1
120.08103	1.3
123.04444	6.3
124.07570	0.5
127.03926	13.0
129.10213	1.7
131.04933	1.3
131.07042	3.5
132.04459	100.0
133.04825	0.7
136.06183	3.7
136.07590	3.3
145.04980	3.0
147.04445	3.9
150.05511	10.5
159.02928	2.0
163.07635	0.5
163.45123	0.6
165.05490	5.2
174.05544	0.7
184.07381	1.2
192.15012	0.6
194.39209	0.4
202.12259	1.3
203.11920	0.6
213.03973	1.9
218.11655	0.5
220.13326	1.4
231.04985	2.5
236.12877	1.0
247.38425	0.5
248.12811	1.0
266.13815	2.9
308.14859	1.2
312.14481	2.5
318.57040	0.5
352.13846	3.4
381.11713	0.6
398.14804	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	397.3103
Annotation	alpha-Micropteroxanthin B
Peak:m/z	Relative Intensity
55.05505	5.3
57.03423	2.5
62.03981	0.8
67.05510	8.4
67.86455	0.9
69.07074	45.1
70.77013	2.1
70.77379	2.0
73.06576	6.8
75.65440	0.9
79.05486	6.0
80.34251	0.9
81.07061	22.2
83.08612	3.8
91.05482	8.2
93.07056	10.8
95.08614	9.2
97.06547	6.7
97.96519	1.0
99.08086	5.3
105.06332	1.0
105.07030	18.4
107.08599	12.0
109.06532	2.3
109.10162	12.1
113.09642	1.2
115.07593	5.1
117.07024	4.3
119.08582	8.8
121.06480	2.3
121.10157	8.6
123.08063	1.4
123.11732	2.7
125.09656	5.5
127.11191	2.0
129.07013	3.7
131.08585	10.8
133.10138	11.0
135.11700	9.4
137.09601	1.1
141.06975	1.9
142.07791	2.4
143.08574	15.0
144.09406	1.2
145.10150	15.5
147.11707	26.9
149.13258	6.2
155.08565	2.8
157.10127	13.5
159.11705	17.6
161.09656	1.5
161.13260	15.9
163.11218	2.5
169.10139	2.6
171.11713	10.4
173.13269	7.2
175.14853	5.5
181.12251	5.8
183.11702	3.7
185.13239	5.2
187.14891	2.9
197.13191	4.8
199.14862	4.6
201.16481	3.6
209.13300	1.5
211.14850	6.1
211.17128	0.9
213.16434	6.6
215.17952	19.5
223.14915	2.5
224.15654	1.5
225.14030	1.0
225.16437	3.6
227.17892	2.1
229.19562	1.8
231.17349	1.0
238.17148	1.4
251.18005	4.5
253.19531	100.0
254.19948	2.9
255.21140	2.2
271.20688	4.7
281.22690	2.9
283.24231	16.0
379.29977	18.4
397.31049	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	397.3104
Annotation	alpha-Micropteroxanthin B
Peak:m/z	Relative Intensity
50.77483	1.0
55.05530	4.9
57.03424	1.6
67.05502	9.7
69.07072	46.8
69.68027	4.7
71.04990	1.3
73.06562	7.9
75.59122	1.0
79.05499	8.4
81.06593	1.7
81.07059	22.4
83.08619	3.5
85.06548	1.3
91.05479	8.8
93.07047	14.9
95.08607	11.3
97.06529	7.6
97.10150	1.1
99.08090	6.4
105.07039	21.5
107.08593	12.2
109.06530	2.0
109.10163	13.0
115.07573	4.5
116.19983	0.9
117.07018	5.5
118.40670	1.0
119.08587	12.5
121.06528	3.1
121.10134	11.8
123.08096	2.8
123.11722	3.3
125.09661	5.2
127.11193	3.7
128.06226	2.1
129.07013	3.9
130.07851	1.1
131.08574	10.0
133.10124	13.3
134.10587	0.9
135.11690	10.8
139.11195	1.3
141.07004	1.5
142.07819	2.0
143.08566	14.1
145.10124	13.4
145.89038	1.0
147.11688	24.1
149.13266	5.3
155.08557	2.2
157.10143	15.7
159.11693	21.8
161.13268	13.3
163.11189	2.2
168.09430	1.4
169.10121	2.4
171.11703	10.9
173.13246	6.7
175.14871	3.2
181.12143	4.6
183.11719	4.0
185.13290	5.3
187.14815	3.1
197.13228	7.1
199.14761	5.1
201.16396	4.0
209.13333	1.3
211.14911	4.4
213.16426	5.8
215.17982	19.7
223.14832	1.5
225.16386	2.7
227.18007	1.9
229.19571	1.2
238.17264	2.3
251.18037	3.3
253.19519	100.0
254.20071	1.5
255.20964	1.4
261.18506	1.4
271.20541	5.0
281.22525	1.9
283.24176	16.6
291.21033	1.1
308.92633	0.9
319.31955	1.0
338.03210	1.0
359.74350	1.0
379.29977	14.5
397.31064	60.0
398.30832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2947
Annotation	7,8-Didehydro-beta-micropteroxanthin
Peak:m/z	Relative Intensity
53.01588	1.3
53.03945	1.8
55.01870	1.6
55.05519	10.3
57.03427	3.9
57.07081	2.2
58.94384	1.3
59.21132	1.3
60.02567	1.4
67.05508	25.6
69.03435	2.6
69.07074	100.0
69.27457	13.1
71.05012	1.5
73.06564	13.7
79.05080	1.5
79.05501	18.5
80.24250	1.4
81.03403	1.4
81.07063	72.1
83.05000	2.4
83.08601	3.9
85.06546	2.8
91.05492	14.7
93.07054	18.0
95.04975	4.1
95.08613	15.7
97.02919	1.3
97.06538	18.2
98.20747	3.4
99.08112	11.3
105.07034	27.0
107.08597	19.0
109.06519	3.3
109.10169	13.0
115.07572	7.3
117.07004	10.6
119.08592	14.0
121.06513	2.9
121.10143	16.2
123.08053	3.1
123.11699	1.5
125.09647	7.6
127.11188	2.1
128.06171	2.1
129.06985	6.0
131.08580	29.3
133.10138	17.8
135.08017	1.7
135.11696	5.7
137.09555	1.6
139.11217	3.0
141.06990	3.0
142.07759	6.4
143.08600	13.1
145.10143	27.8
147.11693	13.8
149.13254	3.3
155.07596	1.4
155.08591	14.2
156.09297	1.5
157.10138	36.0
159.11711	17.7
161.09610	2.2
161.13220	4.3
167.08562	1.9
167.10658	2.2
169.10159	8.6
171.11708	10.5
173.11853	2.4
173.13277	5.9
179.14285	2.7
181.10100	3.8
181.12263	4.3
183.11703	11.2
185.13275	7.5
194.10803	1.8
195.11693	9.1
195.13428	1.8
196.12454	1.9
197.13258	9.2
199.14813	5.7
201.16359	2.4
202.73737	1.6
207.11627	2.4
209.13333	9.1
210.14046	1.7
211.14870	10.8
212.15610	4.2
213.16455	8.0
221.13275	2.4
223.14815	2.5
225.16391	4.1
227.18054	3.3
236.15636	3.0
237.16342	2.3
249.16335	4.2
251.17975	89.1
252.18649	4.5
253.19637	2.5
263.17975	1.7
269.19016	16.9
279.21146	6.8
281.22665	27.5
297.22021	2.4
377.24011	2.5
377.28400	26.1
395.24594	7.2
395.29404	98.4
396.29721	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3104
Annotation	alpha-Micropteroxanthin B
Peak:m/z	Relative Intensity
55.05515	5.2
57.03442	1.9
58.35907	0.7
67.05505	9.4
67.81002	0.8
69.07074	53.6
69.53654	3.3
69.54082	2.4
73.06559	8.9
73.39791	0.8
79.05501	8.0
81.07065	24.6
83.08627	4.1
85.06527	1.2
88.19579	0.8
91.04980	1.0
91.05489	9.7
92.72068	0.9
93.07061	12.6
95.04991	1.0
95.08617	12.2
97.06545	9.0
97.10197	1.3
99.08099	6.3
105.07039	22.5
107.08596	12.4
109.06522	2.9
109.10161	11.5
111.11717	1.5
115.07582	5.6
117.07037	4.8
119.08596	12.7
121.06503	4.0
121.10149	10.8
123.08084	2.3
123.11725	2.3
125.09624	4.2
127.11198	3.7
128.06233	1.9
129.07008	3.8
131.08559	9.4
133.10136	13.7
135.11687	8.3
138.42232	0.9
139.80391	0.8
141.07002	1.5
142.07784	1.6
143.08563	16.5
145.10143	18.4
147.11697	29.6
149.13258	6.5
155.08612	2.7
157.10143	16.3
159.11694	20.3
161.09584	2.0
161.13293	17.9
163.11153	1.5
169.10124	3.2
171.11716	10.0
173.13300	8.6
175.14821	4.4
181.10176	0.8
181.12253	6.2
183.11737	4.3
185.13309	5.3
185.43964	0.8
187.14874	3.9
195.11624	1.0
196.12605	1.0
197.13298	6.5
199.14853	4.0
201.16412	2.5
211.14861	4.4
213.16373	5.6
215.17970	18.5
216.18500	0.8
223.14813	2.0
225.16380	2.8
227.17889	2.1
229.19524	1.4
238.17192	2.2
251.17947	4.1
253.19537	100.0
254.20010	2.5
255.21111	1.5
261.18494	1.4
271.20563	5.5
279.21109	1.1
281.22647	2.5
283.24231	19.9
343.64603	0.8
373.16867	0.9
379.29980	16.9
397.31046	54.5
424.90640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0745
Annotation	Sch 50673
Peak:m/z	Relative Intensity
53.50251	5.4
55.05504	6.7
56.96566	10.5
69.07039	11.4
70.06595	22.1
70.35394	17.0
71.04999	5.7
79.05502	6.4
81.07051	6.6
83.08623	6.5
84.08136	12.7
85.02886	8.3
86.09718	19.9
91.05482	14.7
97.02908	6.2
98.20840	7.4
98.97598	46.6
109.10142	7.8
110.97571	15.3
116.98633	6.4
120.08111	4.7
121.10119	9.6
122.95158	5.4
137.09555	4.9
158.99686	10.8
177.00749	5.7
198.71977	4.9
207.03308	11.9
214.21300	5.3
219.01773	27.0
233.15379	8.5
237.02864	23.2
243.62679	5.4
309.06497	30.4
327.07547	84.4
351.07764	6.3
369.08569	6.4
395.07452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01856	6.3
55.05504	10.7
57.03440	8.3
57.07086	19.9
58.18495	3.6
59.45440	3.7
61.02907	4.8
67.05493	6.2
68.17942	3.1
69.03440	46.4
69.07076	62.3
69.98186	3.7
70.06586	3.5
70.89899	10.2
71.05008	5.2
71.08620	15.4
73.02927	4.4
73.06551	13.4
76.31197	3.5
79.05502	6.0
81.03437	25.1
81.07050	5.6
83.08604	4.2
85.02444	6.6
85.02914	89.1
85.10165	8.6
87.00838	45.7
95.08577	9.0
97.02901	40.8
97.06519	15.2
99.04441	13.0
105.01881	44.3
105.06992	4.7
109.02893	26.2
109.10158	6.0
109.15214	3.9
111.04476	3.3
111.11733	69.1
117.01743	3.6
119.08540	4.6
121.06501	5.8
123.11681	5.0
123.92920	3.7
127.03929	65.5
127.11188	7.8
128.84825	4.3
129.12769	100.0
131.08597	3.9
145.04979	25.4
145.10094	4.7
147.13805	7.6
159.02875	9.3
163.03941	6.2
197.19020	6.1
215.07063	8.6
223.92900	3.4
231.05014	42.8
233.63153	4.0
245.27692	3.6
259.09717	4.7
395.20398	4.9
395.29330	6.8
417.49442	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	394.1647
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
54.38783	1.1
55.01874	11.0
56.05038	2.3
58.52489	1.3
58.99592	12.7
59.04998	1.5
61.01130	2.0
62.99080	14.4
67.05503	5.4
69.07074	74.2
69.78109	7.2
70.06596	4.2
72.08153	2.4
74.00677	16.2
76.02232	2.6
76.04000	4.6
83.06104	4.3
84.04514	52.3
84.08147	3.4
85.04044	1.6
86.09686	2.1
86.99047	6.9
87.02714	2.1
88.02228	7.3
93.07043	5.2
93.24284	1.1
99.05573	2.8
101.04242	17.1
102.05574	1.6
112.03970	14.9
116.01693	37.5
117.03724	13.4
119.05290	26.8
120.08128	2.0
127.05803	10.7
129.06619	9.1
130.05017	42.7
144.01157	18.5
144.08411	5.2
145.06886	32.9
146.02737	1.5
147.07594	1.3
153.06703	1.7
160.00632	1.7
162.02217	80.2
162.09485	12.2
165.63623	1.2
173.06294	1.6
174.02245	2.6
177.03322	3.9
191.07347	3.1
199.10294	1.3
230.08476	38.2
247.11194	6.3
248.09544	100.0
256.09677	1.3
265.12189	52.2
319.13260	29.0
331.13107	2.6
376.15588	1.7
386.95044	1.3
394.16577	15.4
397.30603	1.4
411.32867	1.3
419.83725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01862	1.3
55.93547	0.6
57.03423	0.9
61.02915	1.6
65.03954	0.7
69.03448	3.3
69.78978	2.8
70.06580	3.4
79.05499	5.9
81.03416	1.8
81.07056	5.3
84.04540	0.8
84.08140	1.4
85.02921	9.2
91.05491	9.7
94.04185	2.6
95.04970	2.1
97.02897	3.5
98.97586	1.6
105.03398	2.0
107.04946	2.0
109.06526	25.8
116.98610	0.8
119.04995	1.5
120.08102	1.3
123.04412	0.8
127.03940	2.4
130.04985	0.7
133.02859	9.1
135.04422	1.8
137.05984	49.1
145.04961	2.6
147.04367	0.9
153.05490	2.0
154.06177	1.6
165.05487	34.1
167.07021	0.7
177.00752	0.7
181.08662	1.2
197.08102	100.0
198.08386	1.2
330.23111	0.8
335.28458	0.7
344.63351	0.6
394.22961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50739	2.2
75.36150	2.0
82.07955	1.7
87.19588	2.0
94.93015	31.0
98.97591	3.6
104.10756	2.5
104.55908	2.1
110.97508	2.4
112.89660	1.9
127.02457	2.1
143.01927	2.1
155.01862	2.9
158.99641	2.0
172.97636	2.1
206.88614	2.8
222.94063	34.4
232.99657	1.8
248.89708	23.5
260.89667	100.0
263.06128	2.1
275.06070	2.3
278.89746	3.5
303.02032	2.8
318.52692	1.8
372.35007	2.2
394.90665	2.2
394.98022	8.7
395.05399	11.0
395.10251	3.1
395.14771	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	79.5
70.06605	8.9
70.98130	50.5
71.50710	3.9
84.96026	5.6
85.02900	4.7
86.09701	5.5
88.99162	31.5
93.23419	3.1
98.06064	18.6
98.97591	85.5
100.99151	3.9
103.02525	3.3
107.00237	3.6
110.97595	30.5
113.00912	4.5
113.67184	3.8
116.98618	18.3
118.34935	4.2
119.01959	3.6
123.36008	3.6
124.32511	3.3
128.98613	100.0
131.01968	6.9
132.97897	3.1
133.01683	3.5
134.99631	4.6
140.39804	2.9
140.98618	5.7
143.00179	10.2
144.33084	3.4
144.98097	3.2
145.03488	4.8
146.99664	97.3
149.00099	3.7
153.98610	4.8
154.96536	25.0
155.02028	4.1
156.98099	23.0
158.99692	17.3
161.01346	3.6
163.51018	3.6
164.02521	4.4
165.00728	30.7
170.99680	7.7
171.05060	5.5
172.94534	3.8
172.97606	58.9
173.02997	3.5
173.04938	4.6
174.99190	66.1
177.00676	8.1
186.99207	20.7
187.00723	4.5
188.97192	3.6
189.00703	6.8
190.98653	42.0
193.00221	36.7
193.01738	4.5
199.00952	8.0
200.97218	5.7
201.00768	7.0
202.98628	6.9
203.04077	4.2
205.00243	78.9
207.01776	5.2
208.99608	9.7
211.99405	4.3
214.98659	15.2
215.05925	3.5
217.00157	8.0
217.01996	6.9
218.98134	20.2
219.01709	20.5
220.99786	4.8
223.01254	45.4
232.99739	62.1
233.03325	5.1
237.00790	7.2
237.02803	34.4
241.02327	3.4
247.01285	95.7
247.03694	6.2
251.00797	39.3
255.01717	14.0
255.03961	18.6
263.52231	3.5
263.84653	3.4
265.02304	18.0
265.43997	3.4
273.02783	11.3
275.00729	79.8
277.02426	9.5
277.06024	3.6
293.01813	42.9
295.06891	6.7
303.00256	18.3
303.02484	8.3
305.01825	8.9
307.03259	10.5
316.95496	4.0
321.01413	5.5
325.04297	5.5
335.02737	8.7
335.10226	7.2
367.05554	6.3
377.07516	5.6
395.09262	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26027	4.2
53.03946	7.4
53.31580	4.2
55.05505	18.0
57.03423	4.4
57.06874	3.8
57.07085	40.7
65.03922	4.3
67.05509	31.5
69.03452	3.9
69.07073	27.0
71.03580	3.9
71.08639	28.4
79.05502	23.5
81.07059	52.6
83.04996	6.2
83.08616	22.1
85.06520	5.9
85.10191	15.4
89.06027	4.1
91.05484	33.9
93.07045	48.6
95.04994	39.1
95.08612	61.9
97.06526	7.7
97.10212	8.9
98.98485	60.5
102.19910	4.2
105.07044	63.8
107.08628	27.8
107.17204	4.3
107.84253	4.0
109.06514	11.2
109.10159	29.7
117.07035	13.3
119.08577	53.7
121.06526	15.4
121.10176	24.6
123.11704	15.0
128.06250	6.1
129.07022	9.2
131.08588	25.5
133.10136	28.5
135.08055	4.9
135.11702	16.1
135.56531	3.8
142.07767	11.6
143.08562	18.1
144.09300	6.8
145.10149	51.3
147.11670	17.6
149.09650	5.7
155.01056	100.0
155.08601	10.2
156.09386	6.5
157.10135	35.9
159.08032	5.6
159.11711	24.8
161.09633	13.5
161.13229	5.7
169.10092	11.2
170.10901	9.3
171.11723	17.7
173.13272	11.3
175.11237	6.2
175.14777	10.2
181.10223	5.3
183.11728	12.3
185.13248	11.4
187.11270	6.7
187.14790	8.8
195.11865	7.7
196.12471	5.1
197.13243	9.6
209.13312	8.8
237.16020	4.1
239.23712	12.4
319.20087	4.2
376.25916	8.3
393.27838	8.1
401.27982	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01880	4.1
55.05513	15.7
57.03415	2.5
57.07067	6.2
65.03947	2.2
67.05502	32.0
69.03401	2.6
69.07072	14.6
71.10725	3.8
77.03918	2.3
79.05496	37.9
81.06599	3.5
81.07062	64.5
82.73946	2.6
83.04980	5.7
83.08614	7.1
85.06523	3.6
91.05485	56.2
93.07050	79.8
95.04974	46.8
95.08611	53.8
97.06538	11.5
97.10168	2.8
103.05486	5.2
104.26680	2.3
105.06313	4.9
105.07034	100.0
107.08600	53.9
109.06518	16.6
109.10168	26.8
111.08018	3.2
115.05437	5.8
116.06250	2.7
117.07021	20.7
119.04967	2.5
119.08586	86.8
121.06508	18.3
121.10152	43.8
123.08079	5.3
123.11690	9.4
128.06216	9.6
129.07013	15.1
130.07797	9.4
131.08565	47.5
133.06453	3.2
133.10138	52.8
135.08086	4.7
135.11722	22.3
137.09634	5.2
137.13252	2.6
141.06982	4.7
142.07800	19.8
143.08585	33.7
144.09331	7.1
145.06493	3.1
145.10135	62.7
146.07275	4.0
147.08058	4.2
147.11699	22.4
149.13248	3.9
154.07750	4.1
155.01010	3.2
155.08516	8.9
156.09386	12.4
157.10143	47.5
158.10909	6.4
159.08058	5.2
159.11697	44.4
161.09616	18.4
161.13252	6.8
163.11200	3.9
163.38351	2.5
165.06931	3.0
167.08585	5.6
168.09364	4.5
169.10153	17.7
170.10910	2.3
171.11702	27.8
172.12521	3.5
173.09610	2.7
173.13260	20.6
175.11185	10.1
175.14827	15.3
179.08566	5.1
180.09317	4.1
181.10153	11.1
182.10933	5.4
183.11723	15.4
185.13240	13.5
187.11174	6.1
187.14783	10.7
193.10185	7.1
194.10931	6.2
195.11737	10.0
197.13304	12.5
199.14775	5.8
201.16425	12.2
207.11659	7.5
208.12372	2.9
209.13364	13.9
211.14850	8.4
213.16339	5.4
220.12526	3.0
221.13254	5.1
223.14836	7.5
225.16399	4.8
227.14104	2.4
233.13095	2.8
235.14972	5.5
237.16440	2.7
253.15807	5.4
253.19603	2.5
255.17215	3.5
265.19604	4.6
266.20209	3.0
271.20740	2.6
375.26871	7.2
393.27753	6.4
405.21216	2.8
405.26373	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05510	1.1
57.03430	1.1
60.00684	0.3
61.02923	0.3
67.05515	1.8
69.03439	0.6
69.07074	3.3
69.49758	2.0
70.06596	0.6
71.05008	0.5
72.08152	0.3
77.97276	0.3
79.05130	0.4
79.05503	3.9
81.03429	1.7
81.07062	1.1
83.04990	0.7
83.08666	0.3
84.04519	0.3
84.08158	0.6
85.02898	0.7
86.09711	100.0
87.05605	4.0
87.10050	0.5
89.03935	1.4
91.05486	1.5
91.36187	0.3
93.07065	1.0
95.04968	1.7
95.08585	0.8
97.02866	0.4
97.06539	26.5
103.05484	0.8
105.07030	0.9
107.04964	1.5
107.08607	0.8
109.02893	0.8
109.06526	0.4
109.10166	0.9
111.04485	0.5
115.05020	2.3
117.03428	1.3
117.07044	0.4
119.04994	0.4
119.08602	0.6
120.08117	16.6
120.24175	0.3
121.02897	0.5
121.06510	0.6
121.10162	0.4
123.04478	0.6
123.08107	0.5
125.09675	0.3
127.03951	0.5
129.07059	0.4
131.04979	0.7
131.08594	0.6
133.02890	0.7
133.06561	0.4
133.10152	0.4
135.04427	3.0
135.08072	0.5
135.11719	0.4
137.09767	0.3
137.43614	0.3
138.09090	0.3
141.07027	0.8
143.08565	0.8
143.11841	1.9
145.02873	1.4
145.03932	0.3
145.06512	0.6
145.10179	0.5
147.04462	0.8
147.11667	0.3
149.02377	1.1
149.06035	0.5
152.78857	0.3
153.07091	0.5
155.11868	0.4
157.06410	0.5
157.10085	0.5
159.04449	1.6
160.05174	0.5
161.02335	4.6
161.05957	2.0
163.03915	13.3
163.05254	0.7
163.07581	0.5
163.11189	0.4
166.08653	6.4
167.08633	1.2
169.06445	0.4
171.07988	0.5
171.11456	0.7
173.02356	8.2
173.03694	0.5
173.05962	2.3
175.03938	0.6
175.07455	0.6
177.10265	0.5
183.11330	1.9
183.77495	0.4
185.06039	0.6
186.03180	0.5
187.07570	1.3
189.05486	1.1
189.09183	1.0
191.07109	1.1
195.08115	1.3
197.06007	0.4
199.07495	0.6
200.13956	4.2
201.12418	1.4
203.10742	0.7
213.09068	2.0
215.07037	12.5
217.08563	2.6
228.13458	10.2
231.10158	4.4
234.12498	0.3
235.09709	1.2
241.08694	1.0
259.09683	22.8
260.09973	0.6
273.14874	0.9
279.17090	5.3
301.14413	1.9
311.15451	0.3
330.18027	0.4
351.10855	0.4
363.18063	1.1
375.17938	0.4
389.68469	0.3
393.11746	0.7
393.19421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18940	0.8
57.07082	4.6
58.07423	1.0
60.04219	0.7
67.05521	0.9
69.18510	3.7
69.18941	3.8
81.07047	2.6
81.38876	0.8
91.05499	1.1
95.08611	1.4
105.07050	2.0
107.08586	1.3
117.82478	0.7
119.08578	1.8
131.08575	1.0
145.10129	1.2
147.11682	1.0
149.02431	1.0
157.10222	0.9
208.11749	0.8
293.59146	0.7
309.20053	3.2
375.24731	3.3
376.25961	1.3
393.26147	100.0
394.26328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79594	0.6
57.07084	3.5
58.07393	0.6
67.05499	1.1
67.54533	0.5
69.07056	1.1
69.85391	2.9
79.05476	0.8
81.07068	1.4
87.28847	0.6
91.05450	0.7
92.77018	0.5
93.07045	1.3
95.08609	1.1
98.21427	0.9
105.07030	1.3
107.08594	0.9
109.10153	0.7
119.08644	0.7
121.10107	1.1
126.59909	0.7
133.10155	1.0
145.10115	0.8
147.72261	0.6
157.10002	0.6
159.11679	0.7
173.13277	0.7
197.13239	0.7
198.99330	0.5
227.07314	0.6
253.30316	0.6
270.14392	0.5
299.08087	0.6
308.19867	0.8
309.20087	2.0
375.24829	2.0
376.25653	0.6
393.26138	100.0
394.26425	1.9
409.45398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01878	3.0
55.05507	1.5
55.06696	0.4
57.03437	1.0
62.68749	0.5
65.03945	1.0
67.05510	4.2
69.03422	1.2
69.07072	20.7
70.06589	1.0
70.80090	1.1
71.04971	0.7
79.05501	10.3
81.03427	1.2
81.07082	3.2
82.06579	0.7
83.04981	0.8
84.08117	0.9
85.02911	1.3
89.03919	6.9
91.05479	3.0
93.03403	1.6
93.07049	2.3
95.04974	3.5
95.08627	2.5
96.08112	0.5
97.02888	1.7
97.06540	29.1
97.35970	0.5
98.01531	0.5
98.97585	1.1
99.00774	0.5
105.07034	2.5
107.04968	4.5
107.08600	1.4
109.06532	0.8
109.10165	1.2
111.04449	2.9
115.05479	0.8
117.03384	9.4
117.07011	0.8
117.62279	0.5
119.04966	0.5
119.08591	1.7
120.08100	0.6
121.06474	0.8
121.10153	1.0
123.04414	1.0
123.08054	0.6
127.03899	0.7
128.06265	0.8
131.08582	1.3
133.02853	1.2
133.10143	0.6
134.03658	2.3
135.04437	20.5
135.08034	0.6
135.11636	0.6
137.09598	0.8
139.03920	5.9
142.07825	0.7
143.04904	1.2
143.08578	1.3
145.02853	14.6
145.04007	0.7
145.10120	0.9
147.04416	1.6
147.08064	0.8
147.11758	0.6
149.02356	0.8
155.08524	0.6
157.06517	0.8
157.10136	1.4
159.11662	0.9
160.05202	0.8
161.02339	1.5
161.06001	2.4
162.03131	0.7
163.03917	100.0
164.04234	1.0
167.08553	0.8
171.04500	0.6
171.08009	0.9
173.02408	1.0
173.05989	1.5
173.13255	1.1
175.07545	1.0
177.09171	0.8
179.03337	0.6
185.06085	0.7
185.09630	1.3
187.03931	1.4
187.07455	0.8
189.05478	2.1
189.09137	1.6
195.08080	0.6
197.06172	0.5
199.03868	0.7
203.10643	2.9
205.05026	0.9
207.02850	0.8
213.09143	3.2
215.07095	1.0
215.10616	0.7
217.04880	0.8
217.08656	1.8
229.08632	1.2
231.10167	8.6
231.12279	0.8
235.06068	0.7
235.09680	2.1
241.08583	4.2
247.09644	2.3
255.34193	0.6
259.09674	56.6
260.10110	0.6
277.10742	1.9
289.10632	1.0
301.18021	2.2
305.88156	0.6
333.09811	0.6
351.10764	1.4
375.21970	1.2
375.26569	0.7
380.15878	0.5
390.83218	0.5
393.11868	1.0
393.22897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01880	3.5
55.05512	1.6
57.03429	2.1
67.05516	3.0
69.03436	2.1
69.06740	0.7
69.07070	9.1
70.06596	1.7
70.80156	1.4
70.80527	1.2
72.08159	0.7
79.05499	11.9
81.03415	1.6
81.07063	1.9
83.04980	2.0
85.02902	1.2
86.09716	19.3
89.03931	2.5
91.05485	2.3
93.03413	0.7
93.07078	0.9
95.04987	2.1
95.08582	0.7
97.06538	100.0
105.03388	1.0
105.07012	1.4
107.04964	1.7
107.08609	1.1
109.10163	0.8
111.04439	1.0
115.05470	1.3
117.03391	5.2
119.08561	0.7
120.08103	4.1
121.02854	1.3
121.06495	0.6
121.10163	1.1
123.04416	1.4
128.06201	0.9
129.07024	1.4
129.10214	0.7
130.06522	0.8
131.04959	1.0
133.02863	2.0
133.06497	0.8
135.04437	11.7
139.03935	2.2
141.07008	1.6
143.04930	0.8
143.08569	1.6
145.02844	5.4
145.06512	0.6
145.10089	1.0
147.04413	1.7
149.02357	2.3
152.06245	2.4
153.07025	1.3
157.06525	1.0
157.10201	1.2
159.04431	4.7
159.61943	0.6
160.05174	1.6
161.02333	12.3
161.05988	5.2
163.03922	46.4
163.07529	1.5
165.07016	0.8
166.08722	0.8
167.08562	6.5
169.06555	2.0
169.10008	0.6
171.08076	0.8
173.02364	23.2
173.05959	7.7
174.06769	1.7
175.03882	1.7
175.07596	2.3
185.06075	1.0
185.09679	1.4
187.03954	0.8
187.07518	3.0
189.05490	2.7
189.09126	5.0
191.07065	2.1
195.08067	9.7
195.17488	0.9
197.06030	1.1
198.06813	2.6
199.07602	0.8
200.14052	1.1
201.09067	0.8
203.07085	1.5
203.10689	2.1
207.02968	0.8
213.05693	0.7
213.09114	14.3
213.18613	0.9
215.07050	37.0
215.10513	1.1
216.07515	0.8
217.08600	10.0
223.07664	0.6
228.13463	1.4
229.08569	0.7
231.10185	17.9
235.09807	2.5
241.08600	4.7
259.09677	76.9
260.10123	1.0
277.10638	1.0
279.17041	0.7
349.12555	0.8
361.13937	1.8
393.11722	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	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01860	4.0
55.05505	1.5
57.03438	1.2
60.35611	0.9
61.02915	1.1
65.03926	1.2
67.05508	9.2
69.03468	1.0
69.07072	10.9
70.63981	2.3
70.64319	1.5
72.08149	1.6
79.05499	12.3
85.02919	1.8
86.09706	2.4
88.43314	1.0
89.03910	3.0
91.05496	1.7
95.04972	19.2
95.08607	1.0
97.06538	100.0
103.54140	1.1
107.04932	2.2
111.04444	1.3
115.05451	2.0
117.03373	4.2
119.08658	0.9
123.04410	2.8
127.80814	0.9
128.06241	2.0
131.04895	1.1
131.08534	1.6
133.06433	1.0
135.04434	10.5
138.30434	0.9
139.03880	1.5
141.07005	2.9
142.07779	1.4
143.04884	1.5
143.08574	2.4
145.02814	3.9
147.04437	1.6
152.06262	5.9
157.06468	2.2
157.10156	2.4
160.05173	4.4
161.02361	5.7
161.05984	15.5
162.02235	1.2
163.03920	43.1
165.05539	1.6
165.06955	2.5
167.08577	23.1
169.06427	1.6
171.07912	1.5
173.02357	15.2
173.05960	2.3
174.06766	5.9
175.07573	9.5
184.05161	1.2
185.05966	2.7
185.09665	2.8
187.07515	3.9
189.05444	1.9
189.09106	20.3
195.08072	34.1
198.06766	5.7
199.07549	1.7
201.09093	1.3
203.06987	3.5
203.10678	5.0
209.04454	1.6
213.09113	45.7
215.07043	30.7
215.10484	1.3
216.07657	1.6
217.08647	4.1
223.07550	2.2
231.10178	32.1
235.09749	2.3
241.08675	10.8
243.08780	4.0
259.09671	89.0
260.10126	1.4
277.10785	1.1
347.11203	1.3
375.10614	2.5
378.15244	2.5
393.11697	15.2
393.17599	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	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01867	2.5
55.05505	2.5
57.03421	2.7
58.74799	0.7
61.02932	1.7
65.03932	1.1
67.05502	10.5
69.03416	2.2
69.06773	0.9
69.07073	8.3
70.06571	1.6
70.64594	2.2
71.01352	1.2
71.04992	1.3
72.08165	1.7
73.02924	1.1
77.64222	0.8
79.05490	12.8
81.03417	1.7
81.07058	6.6
83.04956	1.5
83.08598	1.3
84.08135	2.3
84.29602	0.8
85.02895	2.3
85.06544	1.2
86.09689	1.8
89.03929	1.9
89.06029	1.6
89.52122	0.8
89.60384	0.8
91.03992	1.1
91.05482	3.3
93.03375	1.4
93.07032	4.2
95.04967	15.4
95.08596	3.5
97.02900	1.1
97.06533	100.0
99.04399	0.8
101.06030	1.8
105.07034	3.2
107.04934	1.4
107.08572	3.8
109.02850	0.9
109.10171	3.0
111.04429	1.9
117.03365	3.8
119.08582	2.0
120.08106	2.0
121.10150	3.2
123.04398	1.1
123.11684	4.6
124.32390	1.0
128.06291	0.8
129.05493	1.2
129.07001	1.6
131.08562	1.6
133.02817	1.0
133.10100	1.6
135.04422	13.6
135.11696	1.5
139.03918	2.6
141.06981	2.0
143.04967	1.2
143.08490	1.0
145.02863	4.4
145.10139	1.4
147.04431	2.2
147.08083	0.9
147.11713	1.2
149.13292	2.9
152.06204	2.0
157.06514	1.3
157.10194	1.4
159.04465	2.3
160.05170	2.7
161.02304	3.8
161.05989	11.1
161.13297	1.0
163.03906	38.3
164.64203	0.8
165.05489	2.4
165.09148	1.0
167.08560	6.1
168.12245	0.8
169.06497	1.1
171.08101	1.0
173.02350	10.6
173.06033	1.8
175.04034	0.9
175.07539	4.0
177.16425	1.1
185.06027	0.9
185.09587	2.3
187.07593	3.4
189.05502	4.1
189.09109	11.3
191.07121	0.9
193.15781	1.0
195.08043	8.8
198.06740	1.5
201.09042	1.6
203.10635	3.9
209.04430	2.1
209.48235	0.7
213.09105	13.9
213.18517	1.3
214.08810	1.0
215.07025	25.3
217.08600	3.6
231.10071	20.3
235.09734	2.5
239.16536	1.5
241.08609	3.6
257.17520	4.2
259.09665	59.8
260.09790	1.0
321.24289	1.6
327.25455	1.2
339.25229	2.6
363.17831	0.9
375.10828	1.4
375.18094	1.1
383.99847	0.8
393.11957	5.7
393.18881	6.4
412.31964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52248	1.5
53.26868	1.5
56.96300	2.2
56.96570	34.3
69.03447	1.9
70.15392	5.4
70.98132	15.3
70.99872	1.9
83.54878	1.7
84.08102	1.8
84.96000	2.2
85.01389	1.2
85.02930	2.2
86.09713	2.8
88.99164	7.4
97.02885	1.6
98.20810	1.4
98.97599	14.5
101.00898	5.4
110.97578	15.4
113.00842	2.1
115.02451	2.4
116.98647	3.9
117.04093	2.1
119.01900	3.9
119.31706	1.4
128.98619	28.7
131.00148	1.6
131.01921	4.9
131.05580	1.8
133.03476	3.6
143.01926	11.2
145.03485	3.4
146.99658	26.4
149.02939	2.4
154.96510	4.2
155.01926	4.0
156.98096	36.3
158.99669	3.9
161.02962	10.5
163.03937	5.4
165.00763	10.3
167.00302	1.4
170.99646	1.9
172.97600	12.7
173.02974	3.3
173.06554	2.3
174.99171	100.0
175.00810	5.6
175.04509	1.9
177.00723	3.6
185.06657	4.0
186.99054	3.5
189.02448	1.9
190.98615	10.9
193.00235	52.0
198.00664	1.8
200.97079	4.1
201.00856	1.9
201.02382	7.0
201.05988	1.6
205.00237	28.1
209.01389	1.5
218.98174	10.3
219.01671	2.0
223.01289	13.0
229.01991	8.2
232.99683	9.0
236.99162	1.9
237.02853	2.3
239.02332	1.7
244.99654	2.8
251.00710	10.1
260.11639	1.6
261.04733	3.2
272.98883	9.7
275.09775	2.7
287.12488	3.0
291.00153	8.0
293.10800	7.0
294.06180	2.1
305.01730	55.4
315.02121	2.5
333.01181	53.8
333.12973	8.2
351.02628	5.5
351.09909	2.1
351.14014	17.2
393.03421	2.3
393.12451	11.4
393.22241	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	393.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76969	0.7
53.03936	1.2
54.23606	0.6
55.01871	3.3
55.05503	2.9
55.64301	0.6
55.69619	0.6
57.03430	1.7
60.56741	0.6
67.05513	4.4
69.03430	2.2
69.07070	10.7
70.06587	3.1
71.01355	0.8
71.41594	0.7
71.41935	0.9
72.03806	0.6
72.08160	1.6
73.02908	0.6
79.05077	0.9
79.05501	12.9
81.03439	1.5
81.07056	3.2
83.04984	0.9
84.08144	8.4
85.02908	2.0
85.06562	1.2
86.09702	5.5
87.10044	1.1
87.73189	0.6
89.03933	3.0
91.05480	2.6
91.18810	0.8
93.07040	1.9
95.04984	4.8
95.08605	2.3
97.02882	1.1
97.06535	100.0
98.06894	1.0
100.11324	0.7
105.07059	2.2
107.04967	1.8
107.08607	1.7
109.10167	0.9
111.04442	2.2
112.11068	0.7
115.05451	3.8
117.03381	3.9
117.07021	0.8
119.08607	1.7
120.08120	2.0
121.06537	1.1
121.10174	0.9
128.06236	1.3
129.07016	2.2
130.08673	1.1
131.04955	1.0
131.08566	1.9
133.02951	0.9
133.06541	1.0
133.10115	1.0
135.04424	14.5
137.09633	0.9
139.03920	1.5
142.07768	0.7
143.04953	6.7
143.08583	1.3
145.02861	4.9
145.10112	1.5
147.04396	1.3
147.11746	0.8
149.02376	0.7
152.06268	1.0
157.10135	2.5
159.04431	1.8
159.08151	0.7
161.02383	3.7
161.05991	11.1
163.03915	41.6
167.08560	3.9
171.11710	1.2
173.02361	11.2
173.06018	1.8
173.16278	0.6
174.06766	1.9
175.03973	1.3
175.07579	2.0
176.04694	1.6
177.05511	2.1
185.05905	0.8
185.09683	1.4
187.07581	3.0
189.05476	45.3
189.09154	3.0
190.05888	1.0
191.07123	0.8
195.08055	4.0
197.06065	1.0
198.06729	0.7
199.18074	1.1
203.10666	1.5
205.08678	1.5
213.09100	8.2
213.16341	0.7
215.07033	17.4
215.10417	0.9
217.08607	0.8
231.10156	26.4
235.09721	1.8
241.08592	3.9
251.17979	0.6
259.09674	46.0
260.10086	0.8
306.17084	1.5
307.17432	2.0
330.24283	0.8
375.10797	1.0
393.11871	1.7
393.21075	4.4
393.27637	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	392.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.68421	0.4
55.01860	0.4
56.05034	0.7
61.02924	0.5
69.03416	1.5
69.07041	0.4
70.06596	3.6
70.21275	0.4
70.97121	0.7
70.97446	0.6
72.08145	1.5
74.06071	0.5
75.03560	0.4
79.05484	0.6
80.62000	0.4
81.03408	0.8
84.04496	1.8
84.08137	2.0
85.02909	4.1
86.06062	0.8
86.09705	2.9
91.05497	0.7
97.02893	1.3
102.05538	0.6
107.04948	1.3
113.22826	0.4
115.08753	0.5
116.07111	0.7
119.08556	0.5
120.08108	0.9
127.03908	0.5
129.10223	1.2
130.04930	0.4
135.04367	0.6
137.05997	0.8
138.03128	5.2
138.06267	0.6
145.04922	0.7
149.02332	0.9
150.02666	0.8
151.07576	0.5
153.05472	100.0
154.05801	0.5
163.03827	0.6
167.07051	6.6
177.05528	0.5
177.10362	0.5
180.08655	0.5
195.06538	49.8
201.12370	0.5
213.05603	0.7
213.07579	10.7
230.08669	0.5
271.78503	0.4
277.13718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87888	2.1
53.03942	2.5
55.05494	8.2
57.07061	5.8
66.87939	2.0
67.05492	6.3
69.03436	2.3
69.07052	5.3
71.08623	4.7
71.53149	2.6
79.05491	11.6
81.03413	2.4
81.07074	18.8
82.59437	2.0
83.08596	2.2
88.07677	2.4
90.63751	1.9
91.05489	16.2
93.07056	20.4
95.04973	20.6
95.08608	11.9
97.06522	4.0
105.07040	31.2
107.08604	11.5
109.06507	6.5
109.10145	6.0
117.07011	7.9
119.08585	20.5
121.06477	6.9
121.10152	11.9
123.08075	2.8
128.06197	3.6
129.06992	7.5
130.07785	4.2
131.08563	12.3
133.06465	2.2
133.10138	9.9
135.08073	3.8
135.11761	2.2
137.05998	18.0
138.06314	12.2
141.07021	2.4
142.07770	6.7
142.65714	1.9
143.08589	16.6
144.09325	2.1
145.10126	19.3
147.08057	3.1
147.11676	6.1
149.02347	36.6
151.07593	2.5
155.08528	7.5
156.09296	7.0
157.10130	16.2
158.10898	2.4
159.08069	3.5
159.11690	7.9
161.09628	7.3
165.07047	3.0
167.03455	2.6
167.08578	3.3
167.10707	2.4
168.09300	3.2
169.10107	9.6
170.10934	2.8
171.11714	13.1
173.09630	3.5
173.13295	5.7
175.11237	4.3
175.14819	2.6
177.09097	3.9
179.08571	6.1
181.10120	7.2
182.10931	3.9
183.11745	9.4
184.07335	2.4
185.13248	6.6
187.14771	2.8
192.09337	3.5
193.10168	7.4
194.10902	3.1
195.11659	10.7
196.12541	3.3
197.13252	6.3
207.11716	8.8
208.12469	4.1
209.13251	10.8
211.14804	3.9
213.12900	2.5
219.11792	4.5
220.12563	2.6
221.13248	6.7
223.10880	1.9
223.14868	5.3
225.12753	3.3
227.14409	2.8
231.11743	3.1
232.12314	3.0
233.13332	5.0
235.14818	5.6
237.16289	2.9
241.15817	3.2
247.14757	3.8
249.16348	4.4
251.14420	3.4
251.18010	3.5
259.14798	2.1
263.17917	3.1
267.17352	3.4
269.19016	2.5
273.16339	2.9
291.17358	3.0
293.19177	2.4
297.18411	2.7
307.20538	3.1
317.19092	3.7
345.25427	3.1
356.15756	3.6
363.27066	2.1
373.25211	11.6
391.25385	100.0
391.35519	13.1
392.25851	2.8
398.31589	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78958	0.4
53.03957	0.4
53.24373	0.4
55.01872	0.8
55.05496	0.4
57.03432	0.4
59.50191	0.3
60.25232	0.4
60.41881	0.4
61.02921	1.0
69.03436	1.9
70.06599	2.3
70.63088	1.1
71.04953	0.4
72.08160	1.0
79.05500	0.7
81.03408	1.6
84.04500	0.7
84.08151	2.1
85.02902	6.6
85.04011	0.5
85.08400	0.4
86.06075	0.7
86.09691	2.2
89.63522	0.4
93.07033	0.5
97.02894	1.8
99.04464	0.4
100.07617	0.4
107.04942	0.9
109.02852	0.6
120.08128	0.9
121.06503	0.6
123.04452	0.4
127.03909	1.0
129.10257	0.5
132.08072	0.7
135.04416	0.5
136.06239	0.7
136.07506	0.5
137.79845	0.4
138.03088	4.3
138.06284	0.4
141.06935	0.4
145.04977	1.6
146.08096	0.9
149.02338	1.6
153.05472	100.0
154.05783	1.1
154.31882	0.4
163.03871	1.5
166.05333	0.8
167.07031	4.1
191.95619	0.4
195.06540	48.9
196.06998	0.7
199.09604	0.7
213.07573	9.7
215.07001	0.7
245.11264	0.4
259.16476	0.4
259.68250	0.4
276.02628	0.5
323.59933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.5
55.05517	14.0
57.07080	4.9
59.04995	4.0
65.03970	3.9
67.05507	12.8
69.03448	3.6
69.07082	9.5
71.08644	4.4
71.42023	5.2
79.05504	20.1
81.07072	38.2
81.07539	3.6
83.05006	5.8
83.08660	5.4
85.06564	3.5
91.05486	33.4
93.07057	36.8
95.04974	37.2
95.08620	17.4
97.06551	4.7
105.07040	60.2
107.08597	21.2
109.06543	8.4
109.10207	8.8
115.05521	4.8
117.07031	11.5
119.08597	50.2
119.09379	3.8
121.06538	12.0
121.10177	21.4
123.08126	4.7
128.06253	8.6
129.07021	14.1
130.07874	8.2
131.08597	24.6
133.10149	17.1
135.08109	5.3
135.11772	2.8
137.05992	10.9
138.06380	7.0
141.07040	7.1
142.07806	16.9
143.08568	33.2
144.09415	5.8
145.10141	38.4
147.08043	4.9
147.11763	9.6
149.02359	28.9
149.09674	4.7
155.08551	13.3
156.09323	12.8
157.10153	31.8
158.11028	3.9
159.08115	6.1
159.11710	14.9
161.09671	6.5
165.07063	3.1
167.03470	3.6
167.08643	7.7
167.10681	3.3
168.09387	5.7
169.10161	17.8
170.10991	4.8
171.11679	15.8
172.08916	3.1
173.09682	2.8
173.13350	7.5
179.08553	13.9
180.09438	5.2
181.10202	9.6
182.10963	5.5
183.11729	12.0
184.12512	3.8
185.09650	4.4
185.13379	7.8
191.14403	4.8
192.09406	5.9
193.10185	13.2
194.10989	6.1
195.11726	13.4
196.12566	5.0
197.13234	13.4
199.11308	3.2
199.14929	5.5
201.12906	3.3
205.10266	4.2
206.11000	6.2
207.11743	16.0
208.12619	7.9
209.13257	14.2
210.14085	3.4
211.11348	4.5
211.14932	8.0
213.12689	3.2
215.14491	3.4
217.10272	3.2
218.11247	2.6
219.11807	7.6
220.12579	7.5
221.13293	18.1
222.14064	2.6
223.14767	14.1
225.12842	4.1
225.16550	2.9
227.14438	4.2
231.11890	3.7
232.12540	4.3
233.13342	9.8
233.15446	4.9
234.14055	4.7
235.14836	12.2
237.12898	2.7
237.16403	5.1
241.15952	3.4
245.13326	5.6
246.14081	4.3
247.14914	6.9
248.15718	2.6
249.13072	2.7
249.16508	11.6
251.14589	2.3
251.18024	5.7
257.13336	3.0
258.14270	2.5
259.14944	4.1
261.16531	3.2
263.18100	8.8
264.18747	3.5
265.19366	2.3
267.17581	6.4
269.13449	3.3
273.16422	3.6
275.18002	3.4
277.19604	2.9
279.17502	5.2
282.19943	7.2
289.19687	5.1
291.17603	4.8
293.19159	4.3
295.20602	3.8
297.18658	4.2
303.17612	3.3
317.19189	5.3
335.20059	3.4
373.25366	18.2
391.26392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
55.01865	6.9
55.05516	18.0
56.96546	3.2
57.03423	7.9
57.07078	7.4
65.03941	5.0
67.05502	40.8
69.03424	12.8
69.07069	18.0
70.67179	4.8
71.01360	3.5
71.04994	3.8
71.08613	6.0
73.02906	3.1
74.39978	2.8
79.05495	100.0
81.03413	12.1
81.07060	43.6
83.04971	2.8
83.08625	7.2
85.02905	10.4
87.04463	2.8
91.05482	47.5
92.83517	2.7
93.03428	7.7
93.07045	25.6
95.04953	18.3
95.08604	32.6
97.02889	22.3
97.06528	10.4
103.05452	6.0
105.04498	7.5
105.07031	24.0
107.04953	58.6
107.08573	16.9
109.06503	5.9
109.10176	11.1
115.03984	6.8
115.05456	4.7
117.07041	15.9
119.08588	15.8
121.02858	2.7
121.06516	10.0
121.10119	7.4
123.04467	2.4
123.08028	3.3
128.06224	5.7
129.06999	15.0
131.04950	3.9
131.08562	22.0
133.06480	6.1
133.10083	13.5
135.04427	5.2
135.08057	8.4
135.11644	5.2
137.05980	28.5
137.13284	3.2
138.06290	17.9
143.08542	8.5
143.24680	2.7
145.06458	5.0
145.10147	11.1
147.08012	7.4
147.11699	6.2
149.02338	52.0
151.07590	3.7
155.08585	8.4
157.06525	3.4
157.10124	9.3
159.08081	8.8
159.11655	4.7
161.13269	3.7
163.03932	12.7
167.03450	6.8
169.10207	3.0
171.11757	3.4
173.09685	3.7
173.13232	2.8
175.11247	9.5
175.14920	2.9
176.11942	4.4
177.09111	20.3
185.09637	2.7
187.03877	4.2
199.03935	2.9
199.07535	2.5
213.05553	3.4
225.05539	4.1
231.06512	5.9
245.00002	2.4
257.18933	3.3
259.20621	12.3
277.21613	21.3
299.20154	4.3
301.21506	4.6
306.11914	4.6
331.22711	4.1
337.14297	17.9
338.14694	6.7
355.15479	4.8
355.22589	5.4
356.15634	9.3
373.23737	7.5
373.28757	2.5
374.16843	6.3
391.25070	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	391.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
51.99579	0.8
52.20456	0.6
53.03948	10.4
55.01880	5.5
55.05272	0.9
55.05517	10.2
57.03437	8.1
57.07076	2.5
58.44117	0.7
61.02931	2.5
61.57492	0.6
65.03947	6.4
67.05510	34.9
69.03436	13.6
69.07069	8.9
70.05327	3.5
71.01359	4.0
71.04989	3.1
71.08660	1.2
73.02914	4.4
75.90084	0.7
77.03928	2.8
79.05498	100.0
81.03425	10.6
81.07062	33.8
83.04990	3.5
83.08624	2.6
85.02911	11.3
85.06550	1.2
87.04473	1.5
91.05486	37.4
93.03413	7.5
93.07046	21.8
93.07635	1.1
94.90826	0.7
95.04977	17.3
95.08615	32.4
97.02893	22.8
97.03518	1.0
97.06532	3.0
97.10182	1.3
99.04392	0.8
103.03950	1.5
103.05477	3.1
105.03410	1.5
105.04536	4.5
105.07038	20.1
107.04961	66.7
107.08587	8.3
109.06528	3.2
109.10155	6.6
111.04469	0.9
115.03951	6.8
115.05441	6.5
116.06226	1.8
117.07026	16.7
118.06548	0.8
119.04958	2.5
119.08588	13.4
121.02892	0.8
121.06538	7.4
121.10148	5.1
121.57950	0.7
123.08081	2.1
123.11738	1.5
125.06014	1.1
128.06229	4.9
129.07008	10.3
130.07808	0.9
131.04968	3.5
131.08574	15.7
133.06499	6.2
133.10144	6.0
135.04443	0.8
135.08063	5.9
135.11711	5.1
137.06009	5.0
137.13278	2.7
138.06346	1.7
141.07030	4.5
142.07785	2.2
143.08572	7.4
144.05725	2.2
145.06499	5.2
145.10127	6.7
146.07291	1.0
147.08061	5.9
147.11720	4.3
149.02357	10.7
149.05937	1.6
149.09676	1.3
149.13293	2.1
151.07545	2.0
151.14828	0.9
153.06982	1.2
154.07802	1.3
155.08560	3.5
157.06516	3.2
157.10147	4.5
158.07182	0.9
159.08069	6.7
159.11713	4.2
160.12119	0.7
161.06038	1.3
161.09650	2.5
161.13297	3.8
163.07593	2.0
166.07765	1.0
167.03360	1.4
167.08592	1.7
169.10170	2.5
171.08075	3.1
171.11716	2.6
173.09656	2.7
173.13303	1.7
175.11227	1.1
175.14870	1.7
177.09109	15.0
179.14326	1.8
181.10159	1.5
183.08028	1.0
183.11728	2.3
185.09656	2.1
185.13335	1.6
187.11201	1.3
187.14877	0.8
197.09604	1.1
197.13406	1.4
199.14825	1.1
201.09116	1.1
201.12659	0.7
223.17104	0.8
235.17059	1.0
241.19539	1.4
242.80333	0.7
243.08432	0.8
249.18517	1.6
257.19073	0.9
259.20590	21.8
261.22195	1.1
271.20566	1.4
273.22281	1.0
275.20029	1.0
277.21658	26.3
277.24701	1.3
301.21606	9.8
311.18515	1.4
313.21570	2.0
319.22455	1.7
325.21640	1.3
331.22723	1.1
337.21729	1.1
343.22549	1.4
355.22546	4.5
373.23837	8.8
391.24796	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13846	1.7
56.96543	4.5
58.13483	1.8
61.02917	4.3
69.03419	4.2
71.51819	3.1
73.02923	4.7
85.02906	6.0
86.09694	2.6
91.03963	3.1
94.93021	4.1
97.02899	7.7
97.42278	1.8
107.98927	2.2
127.03924	2.8
131.01874	2.1
133.03476	8.0
139.04100	2.2
140.98524	2.0
143.01907	3.3
145.04959	2.4
148.04759	3.4
151.04533	3.1
155.01949	2.2
157.03426	2.9
158.99710	2.7
161.02966	2.4
168.92108	10.7
171.64154	2.1
175.04550	4.1
177.00626	2.1
183.04991	2.3
186.93198	7.1
187.04521	3.5
201.06161	2.3
211.04549	3.0
217.05817	2.0
220.06873	33.1
220.57027	4.1
220.99747	2.3
228.94231	13.7
232.90190	5.5
234.89963	12.3
246.95290	7.0
248.89680	4.1
270.95285	19.6
274.97290	3.1
288.96112	2.6
295.08838	2.8
304.86365	2.2
330.88821	3.1
348.89847	2.8
391.02734	100.0
391.10022	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	391.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.0
55.05499	2.5
56.05024	3.5
56.96569	45.7
57.03430	5.5
61.02914	7.7
69.03419	7.9
70.06586	8.1
70.98134	10.7
71.01299	1.7
71.08589	2.1
71.50919	3.7
71.95255	3.4
72.08174	21.8
72.49770	1.9
73.02902	7.7
74.06064	6.2
79.41381	1.8
81.03387	3.3
84.04498	5.1
84.08147	19.2
84.96026	6.7
85.02911	21.6
85.08463	3.1
85.50794	1.9
86.09701	11.7
88.03981	2.7
88.99179	4.0
89.03913	3.2
91.03938	4.6
91.05486	2.2
97.02911	13.7
98.97588	42.0
99.04473	2.0
101.00880	4.0
102.05529	2.7
107.04969	2.8
109.02881	2.1
110.08344	1.9
110.97575	10.9
112.95219	1.9
112.99128	2.7
116.07062	2.3
116.97969	1.6
116.98639	15.9
119.01897	5.8
121.06492	7.5
122.06805	2.6
124.95418	2.9
124.99150	2.8
127.03913	6.9
128.98601	14.3
129.10246	5.3
130.05009	2.1
130.08669	2.5
130.93259	3.4
131.00197	3.0
131.01930	2.6
133.03465	9.1
135.04367	3.3
137.05960	27.8
138.06357	9.9
138.09087	2.2
139.04237	4.4
140.98648	10.7
143.00151	9.2
143.01881	3.6
144.98114	2.7
145.01743	2.4
145.03464	2.8
146.99664	19.8
147.04391	3.5
147.07497	2.2
148.04736	5.9
149.02344	18.0
151.07564	3.4
154.93265	5.0
154.96548	2.8
155.04626	5.9
156.98141	3.2
157.03513	3.9
158.99689	25.4
161.01234	6.7
161.02960	8.6
162.99132	4.4
163.02725	2.8
163.03925	17.9
165.00775	5.3
167.03357	2.1
170.99725	2.8
172.94395	8.7
172.97623	7.6
173.01421	2.6
173.02927	4.0
174.99100	4.2
175.04498	2.9
175.10741	2.9
177.00755	21.1
185.01314	3.0
186.99203	2.6
187.04514	2.8
188.97084	7.1
189.00641	3.2
190.95386	4.4
190.98676	6.6
191.02289	3.6
193.00258	5.2
195.01793	3.1
201.00723	2.6
202.98659	4.1
203.02336	3.4
203.04146	3.5
205.00177	8.5
208.99648	2.6
211.04587	2.5
213.04424	2.8
214.98668	3.0
215.99217	2.3
216.96899	3.9
217.00203	6.2
217.05557	3.0
219.01816	6.6
220.06909	31.2
220.99728	5.5
223.01193	10.0
228.05730	3.1
231.05264	3.1
232.96454	5.5
232.99802	5.3
235.01280	6.8
237.02864	5.9
244.96371	2.9
245.05113	2.4
246.32069	2.4
246.94479	6.5
248.96092	2.5
251.00572	5.3
260.96051	3.2
263.00598	3.2
264.95367	4.1
265.07550	2.6
272.06638	4.5
274.97675	3.5
275.00699	4.9
277.02283	2.4
281.01535	2.4
286.06992	2.5
288.95547	5.0
292.04648	2.6
293.10889	2.6
295.09088	2.7
303.00314	4.5
306.96515	9.3
318.96713	3.4
323.52112	2.4
330.96289	4.3
330.99753	3.4
336.97440	2.7
348.97775	2.9
356.15729	5.1
374.16864	2.9
390.25027	2.4
391.02686	100.0
391.09946	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	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
55.05515	1.3
56.05044	1.5
57.03438	1.0
61.02916	2.3
67.05484	1.0
67.57856	1.0
69.03419	3.6
69.07051	1.2
70.06591	11.1
71.52346	1.6
72.08161	9.9
73.08524	1.3
74.06068	1.3
79.05496	6.8
81.03426	2.9
81.07054	3.0
83.04991	1.5
84.04497	4.7
84.08138	9.1
85.02904	15.5
86.09711	19.0
87.10036	3.0
88.03987	1.8
91.05479	11.9
93.07080	1.5
94.04189	1.3
95.04967	1.6
95.08640	1.2
97.02879	2.7
102.05538	2.5
103.05468	5.9
105.07035	41.8
107.04926	3.4
107.08612	1.6
109.02908	1.2
109.06538	2.0
110.07156	1.3
111.04474	1.2
115.05484	6.6
116.07145	2.5
118.04189	3.8
119.04919	5.4
119.08602	1.5
120.08118	3.3
121.06513	3.7
122.02805	2.1
122.03650	2.9
123.08057	1.3
124.07609	1.2
127.03955	2.5
129.10252	1.9
131.04910	3.1
133.06499	44.7
137.05981	64.2
143.06073	2.8
143.08597	1.3
145.04936	1.7
146.07306	2.6
147.04388	1.5
149.04979	1.2
149.05992	7.3
151.07549	11.0
153.05470	2.6
161.05986	100.0
163.03955	2.3
167.07045	4.3
168.07903	1.7
175.07539	1.8
177.05534	2.4
177.09091	4.4
179.07027	1.6
180.08672	2.7
189.09108	2.1
193.08607	86.8
196.07309	1.6
201.12389	1.1
211.09645	19.8
229.83923	1.3
233.15305	1.9
237.11250	2.5
256.09610	2.0
273.14362	2.1
295.13351	1.4
305.11694	8.4
322.12225	1.2
323.12814	4.1
337.14325	4.2
355.15472	14.0
372.18420	2.0
372.22778	1.5
373.16489	9.1
390.18561	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	390.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01875	0.5
55.05519	3.4
55.66585	0.4
57.03446	1.1
58.06606	3.5
58.17477	0.4
58.99603	0.6
62.06094	0.6
65.03933	0.8
66.44209	0.4
67.05508	5.6
68.05035	11.3
69.03428	1.0
69.07080	3.5
69.59438	1.0
69.59840	2.5
70.06599	0.8
71.05002	0.8
72.08163	1.1
79.05493	3.4
81.03421	0.7
81.07062	7.9
82.65850	0.5
83.04974	1.9
83.08633	1.5
84.04514	0.9
84.08151	1.7
85.02914	0.7
85.06551	1.3
86.02421	2.1
86.06071	8.4
86.09711	1.0
91.05486	2.4
93.07059	4.5
95.04967	1.0
95.08604	6.4
97.06541	2.5
97.10181	0.5
98.54971	0.5
98.97589	1.6
100.11278	0.8
102.05521	0.6
104.07111	100.0
105.07019	1.4
107.08603	1.8
109.06509	0.6
109.10162	3.3
111.04400	0.6
111.08104	2.3
113.05996	0.5
116.98523	0.4
119.08593	1.1
121.06519	1.2
121.10166	2.9
123.08022	0.6
123.11705	1.0
125.09676	0.7
130.05009	6.6
131.08557	1.1
133.10144	1.3
135.08113	0.6
135.11694	1.8
137.05991	13.3
145.10172	0.6
149.02289	0.7
149.06015	0.8
149.09633	0.6
149.13264	0.8
151.07515	1.4
159.11717	0.5
163.03944	0.9
172.09729	1.4
173.13275	0.5
175.14864	0.7
177.09128	1.5
182.19136	0.5
186.11313	0.6
191.10860	0.7
200.12921	0.5
211.12987	0.5
214.14377	1.1
215.07068	1.3
215.18066	1.3
228.16074	0.6
232.24529	0.5
237.02902	0.6
251.20012	0.6
259.09833	0.8
301.09787	0.9
305.11777	1.3
319.10654	1.2
326.28296	0.5
336.25339	10.4
354.26410	40.4
355.15512	1.8
355.26794	0.8
372.27475	25.0
373.16324	1.2
373.27789	0.6
390.19254	1.9
390.28577	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
57.07085	4.4
58.19325	1.5
60.62706	1.6
67.05515	9.7
69.07076	17.4
69.28777	4.5
69.29192	10.4
71.04980	2.3
71.08641	2.1
78.42202	1.4
79.05503	6.2
81.03434	2.2
81.07069	39.0
83.08622	7.9
85.06554	2.3
91.05486	7.4
93.07061	7.7
94.04194	2.7
95.04971	1.9
95.08606	21.6
97.06555	4.3
97.10176	4.6
105.07041	5.1
107.08623	9.9
109.10172	23.7
111.08081	4.1
111.11731	10.4
119.08582	2.8
121.06522	3.5
121.10175	8.2
122.03658	5.0
123.11718	33.0
125.13223	1.9
127.11191	2.0
127.21938	1.7
129.07016	1.9
133.10165	2.4
135.11732	10.7
137.05989	100.0
137.09589	1.9
137.13277	12.1
138.06410	1.7
145.06497	2.6
146.07243	3.7
147.08081	1.9
147.11725	2.8
149.02374	4.4
149.05997	4.2
149.13243	15.7
151.07553	15.0
151.14862	2.1
153.12756	8.2
155.14299	10.8
162.06758	2.2
163.03931	2.6
163.14813	9.9
165.05547	2.5
165.16438	2.5
170.47812	1.6
175.14775	2.0
177.05447	3.2
177.09190	8.4
177.16423	7.3
179.17949	4.1
191.17975	2.1
203.18008	3.8
217.19508	4.8
221.71513	1.8
237.11272	5.7
239.20174	1.8
261.25763	2.4
263.10815	2.0
273.25815	23.8
279.26770	3.4
291.10089	2.4
291.26846	46.1
295.13269	2.9
305.11749	11.0
306.12494	2.7
309.27872	15.8
323.12811	7.8
327.12094	1.8
337.14468	6.0
355.15460	16.4
373.16431	10.3
374.33694	1.8
390.23511	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2687
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.05515	5.3
60.44999	1.1
62.44120	0.9
63.36647	1.0
63.66312	1.0
67.05514	9.0
69.03439	1.8
69.07063	4.3
71.04993	1.8
71.52726	1.4
79.05499	7.0
81.03423	2.5
81.07066	12.4
83.04974	4.0
83.08601	4.2
85.06543	1.4
91.05496	8.9
93.07043	11.7
95.04967	2.6
95.08611	14.2
97.02905	1.6
97.06532	4.0
99.04433	2.4
105.07048	15.0
107.04961	1.2
107.08617	10.2
109.06547	2.1
109.10177	7.7
117.07023	4.4
119.08576	13.8
121.10167	8.0
121.52535	1.0
123.08099	1.1
123.11719	2.7
129.06989	2.1
131.08614	10.8
133.10126	10.1
134.41243	1.1
135.11702	4.7
137.06000	8.5
139.11172	1.2
141.05455	1.2
143.08585	8.1
145.10121	17.4
147.08084	1.2
147.10591	1.1
147.11719	6.6
149.13266	1.4
151.07567	2.3
155.07013	6.2
155.08476	1.4
157.10123	8.9
159.11722	15.1
161.13264	3.9
167.06964	1.3
169.08629	1.8
169.10083	2.9
171.11674	12.0
173.13257	7.3
173.60608	1.0
175.04059	1.1
175.11111	1.4
175.14818	1.5
177.09100	1.3
179.39323	1.1
183.11671	3.2
185.13289	7.0
187.14789	3.3
189.16222	1.0
189.32047	1.2
193.04901	1.6
197.13251	8.3
199.14810	9.5
201.16411	3.2
211.14833	2.7
213.16371	10.1
215.14310	3.8
215.17924	2.5
225.16386	1.4
227.17995	5.7
229.19514	1.2
239.17972	12.7
241.19374	1.9
243.13734	2.3
253.19536	1.6
254.20410	6.2
261.14853	9.4
263.16263	1.7
270.88562	1.0
277.18134	2.0
281.22488	2.6
289.17969	3.0
296.36890	1.0
299.43002	1.2
307.24182	2.5
315.19604	1.3
323.28192	1.2
325.25214	4.0
342.56735	1.1
353.24872	1.8
371.25839	100.0
372.25854	1.4
389.27121	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	389.217
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
51.85546	0.8
53.03938	1.7
55.01857	1.8
55.05501	3.5
57.03431	2.2
57.07076	1.5
57.99933	0.8
59.04987	1.3
60.04525	1.2
61.02908	1.9
66.06708	0.9
66.32598	1.1
67.05512	5.3
67.05788	0.9
69.03426	6.2
69.07058	3.3
70.06590	2.7
71.04995	24.6
71.52758	1.1
72.08137	3.3
79.05504	4.6
81.03416	5.7
81.03822	0.9
81.07056	6.7
83.04961	2.0
83.08611	3.5
84.04459	1.0
84.08118	1.6
85.02904	17.3
85.06161	0.8
85.06543	9.2
86.09701	3.4
91.05481	5.3
93.07047	10.0
95.04973	7.6
95.08611	8.0
97.02886	7.9
97.06516	5.4
99.04453	83.9
99.08096	1.9
101.06007	1.1
103.05432	1.0
104.07110	2.5
105.07037	7.6
107.04950	1.1
107.08591	17.4
109.02869	3.7
109.06513	8.6
109.10162	7.1
113.09630	4.0
117.06992	1.3
119.01892	0.9
119.07821	1.1
119.08576	6.2
121.06493	1.6
121.10140	10.2
122.05820	0.9
123.08064	13.1
123.11703	8.1
124.05248	0.9
124.07620	0.9
125.05985	0.9
125.09664	4.8
127.03929	4.4
127.07577	1.2
129.10190	1.3
131.08549	3.7
133.10133	17.0
134.02699	1.1
135.08015	2.2
135.11696	1.2
137.05980	8.1
138.06328	1.8
139.11163	2.4
141.09105	1.4
141.12761	1.6
145.03474	1.7
145.04982	2.6
145.10103	2.9
147.07957	0.9
147.11696	8.9
149.09618	19.6
149.13234	6.5
151.11209	6.8
153.09120	4.7
163.11189	2.4
163.14748	1.3
165.09100	1.0
165.12747	3.3
167.07001	1.1
167.10689	2.6
167.14236	1.0
169.12231	13.1
171.10135	1.4
173.13249	7.6
177.09138	1.3
181.12175	0.9
183.12178	1.4
183.13820	25.8
187.07518	0.9
188.03532	0.9
191.14314	10.3
206.04486	1.2
209.12074	1.2
209.15361	23.7
227.16414	100.0
228.16728	1.2
242.56606	0.9
261.12146	1.1
303.14130	6.3
318.83923	1.1
321.13974	1.2
327.13889	1.0
345.15210	34.1
357.10638	2.1
389.14169	89.9
390.14932	1.9
395.85272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03759	2.8
53.03955	33.6
53.04218	3.7
55.01871	14.9
55.05512	25.6
57.03430	9.8
57.07076	5.0
58.28557	2.3
58.86659	2.7
61.02922	5.1
65.03938	10.0
67.05510	65.5
67.91530	2.6
69.03427	24.1
69.07072	23.8
69.51104	9.6
69.51510	7.6
71.01351	11.8
71.04993	2.7
73.02895	8.2
79.05496	75.5
81.03423	73.7
81.07059	62.0
83.04967	8.5
83.08626	5.4
85.02915	17.9
87.04465	4.5
91.05484	100.0
93.07045	38.3
95.04962	29.1
95.08611	33.9
97.02905	29.0
97.06507	5.3
103.05489	17.2
105.03365	7.2
105.04507	5.4
105.07045	67.8
107.04960	53.3
107.08576	15.9
109.02911	3.1
109.06566	7.0
109.10163	8.2
111.04451	2.9
115.03949	6.6
115.05462	23.9
116.06232	5.5
117.07027	46.3
119.04945	9.1
119.08572	25.7
121.02850	2.9
121.06502	16.5
121.10163	8.3
123.04448	5.6
128.06248	31.8
129.07019	44.4
131.04936	32.3
131.08578	32.4
132.05695	4.9
133.06509	50.9
133.10103	14.0
135.04405	3.8
135.08055	5.9
135.11737	3.5
137.05966	5.9
141.06993	18.9
142.07820	8.4
143.08557	26.9
143.18892	2.6
144.05690	5.2
145.06508	44.6
145.10150	18.4
146.43240	2.7
147.04411	6.7
147.08044	23.4
147.11684	3.1
149.05954	6.3
151.07480	5.6
152.06221	5.0
153.07036	12.3
154.07762	10.0
155.08534	19.8
157.06516	17.0
157.10118	13.9
158.07301	4.7
159.08075	21.8
159.11714	7.0
161.05963	8.8
161.09631	6.5
161.13293	4.0
165.06976	7.0
167.08531	9.1
169.06512	13.8
169.10144	12.0
170.07372	5.1
171.08070	24.4
171.11661	4.5
173.05965	8.8
173.09654	10.2
173.13290	4.0
175.07587	6.0
177.05533	3.2
179.08604	5.4
181.06609	2.8
181.10136	4.5
182.07251	3.1
183.08060	16.3
183.11748	5.2
185.05965	5.1
185.09669	9.3
185.13206	4.4
187.07516	4.1
187.11208	7.9
195.08092	3.7
195.11644	3.2
197.09601	8.3
197.13208	4.4
199.07532	5.1
201.09154	3.5
203.10725	3.6
209.09587	4.1
211.07524	3.1
213.08928	3.7
213.12743	4.2
227.10570	2.8
238.13448	2.7
257.18970	23.7
259.29218	3.2
275.20096	20.1
299.20190	16.0
311.20065	5.8
315.19815	3.1
341.21042	4.7
353.21036	6.7
371.22180	12.7
389.23212	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2175
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
52.14234	1.1
53.03941	1.8
55.01863	2.2
55.05501	3.1
57.03431	2.5
61.02918	1.6
63.61006	1.2
67.05506	5.3
69.03445	10.0
69.07067	4.0
69.40649	6.7
70.06583	4.1
71.04998	28.3
72.08144	2.4
79.05483	4.6
81.03407	7.2
81.07068	9.5
83.04976	3.8
83.06094	3.5
83.08626	3.9
84.04499	1.3
84.08144	2.6
85.02914	18.1
85.06551	8.8
86.09701	3.1
87.04453	1.4
89.57291	1.1
91.05473	5.3
93.07059	6.7
95.04964	3.5
95.08623	9.7
97.02887	10.9
97.06531	3.4
99.04462	100.0
99.08107	2.2
105.07046	7.6
107.04960	1.8
107.08606	20.0
109.02879	4.0
109.06542	5.7
109.10165	8.3
113.09658	3.6
115.07617	1.1
117.07044	1.3
119.08559	4.4
120.08112	1.7
121.06513	2.5
121.10139	9.1
122.51303	1.0
123.08088	12.6
123.11713	10.8
125.09639	7.3
127.03915	3.8
127.11197	1.3
129.10243	1.2
131.04898	1.9
131.08562	4.0
133.10143	14.2
135.08058	2.5
135.11661	1.5
137.06010	5.3
137.09610	1.8
139.11163	2.7
141.09146	1.6
145.04881	1.3
145.10147	3.7
147.11644	5.4
149.05913	1.2
149.09607	4.6
149.13268	7.0
151.11188	6.5
153.09122	2.5
163.11201	5.3
165.12746	3.2
167.10648	5.6
169.08586	4.0
169.12241	14.8
173.13239	7.1
177.05493	2.2
183.13821	30.0
191.10661	1.8
191.14305	8.1
207.13823	1.1
209.11832	1.7
209.15370	16.4
215.20607	1.1
227.16431	81.3
228.16862	1.7
285.07645	1.3
357.10809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05035	0.7
56.96555	0.9
69.03423	0.6
69.07071	4.3
70.06593	1.2
71.22792	0.5
71.23806	0.7
72.08167	1.2
79.05470	0.5
83.06120	0.4
84.04518	8.8
84.08147	2.8
85.02908	1.2
86.09712	100.0
87.10046	0.9
89.07159	0.9
98.97595	1.0
102.05546	5.0
110.07182	0.8
114.09196	0.9
116.98656	0.6
129.10268	2.0
130.05014	10.7
137.06020	2.8
141.06645	1.2
148.06053	9.0
153.05453	0.6
157.13382	53.5
159.07681	2.1
170.04500	6.8
171.11249	0.7
177.00804	0.6
181.09734	0.8
185.12866	26.7
187.07152	7.6
205.08215	29.4
242.15053	4.2
318.16690	2.2
328.14990	2.9
371.19333	2.5
389.20346	3.1
389.24741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03935	2.7
55.01873	15.6
55.05508	8.6
57.03432	7.0
57.07064	4.8
59.04984	3.5
65.03935	3.4
67.05511	13.8
69.03413	13.2
69.07083	11.8
70.06583	4.1
70.64403	2.9
70.64738	4.7
71.04986	15.8
72.08134	3.8
73.45304	2.1
79.05499	15.6
79.63980	2.7
81.03419	6.2
81.07063	24.8
83.04981	8.7
83.08598	7.6
84.08154	13.6
85.02906	35.2
85.06535	8.1
86.09718	13.4
91.05497	13.9
93.03434	2.5
93.07040	19.6
95.04972	24.5
95.08607	15.4
97.02885	10.1
97.06529	35.5
99.04467	32.1
99.08089	10.4
103.05475	7.8
104.07067	4.8
105.07030	23.6
107.04971	5.1
107.08611	27.9
109.02949	4.7
109.05813	5.1
109.06524	61.2
109.10168	18.0
111.08085	5.7
113.09636	2.9
115.07561	9.3
117.07041	7.4
119.08617	15.0
120.08113	2.5
121.06512	6.9
121.10149	27.3
123.04456	2.7
123.08072	11.0
123.11730	7.6
124.24752	2.7
125.09671	2.7
127.03883	8.5
127.07536	3.5
129.07022	6.3
131.04926	7.6
131.08586	17.8
133.10138	62.7
135.08078	10.2
135.11694	5.4
137.05995	29.9
139.11194	4.3
142.02525	2.7
143.08551	4.3
145.10115	9.9
146.06038	3.5
147.08015	2.8
147.11694	31.2
149.06007	5.6
149.09669	3.5
149.13261	8.4
151.07527	3.4
151.11150	5.6
153.09122	18.9
157.06454	3.2
157.10187	2.8
157.13443	5.6
163.07526	3.5
163.11171	6.7
163.14857	8.7
165.12766	10.4
167.07043	11.4
167.10664	2.8
169.08667	4.1
169.12257	6.6
171.07957	4.8
171.10236	3.8
173.13272	34.0
175.07578	7.2
177.05501	12.0
181.04971	37.3
181.10307	2.2
181.12186	3.0
183.13875	7.0
188.07082	7.7
189.09103	9.5
191.10675	6.3
191.14304	40.8
205.09749	5.4
209.08112	24.4
209.15372	100.0
227.12930	5.0
227.16443	75.0
235.09726	3.3
246.14117	2.4
255.08493	8.9
263.14380	4.3
305.11780	3.0
354.26514	4.5
363.26239	3.0
371.14902	4.2
389.16022	21.6
389.24875	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1708
Annotation	GS-3
Peak:m/z	Relative Intensity
65.03935	0.6
67.05486	0.3
69.28596	0.6
69.28999	1.6
78.37970	0.2
79.05503	0.3
81.05804	0.3
89.03922	1.0
91.05473	0.5
93.07040	0.8
94.06570	0.6
95.07355	0.7
95.08619	0.4
96.08151	2.0
97.06535	0.3
98.97572	0.3
104.88939	0.2
107.08585	0.3
108.08121	0.8
110.09699	2.5
116.04230	0.4
116.04993	6.1
120.04467	0.6
120.08112	1.9
122.06052	1.5
124.07649	0.4
134.05978	0.5
134.65521	0.3
136.07599	1.8
137.05997	1.3
138.06334	0.4
138.09163	2.0
138.42174	0.3
144.04454	13.9
145.05194	0.4
147.64705	0.3
148.07529	0.8
151.03905	0.5
162.04311	0.2
162.05507	4.5
166.08649	5.5
172.03941	61.1
173.04274	0.4
176.07013	0.5
181.05009	0.4
185.46429	0.3
187.45221	0.2
190.05003	0.4
204.06569	100.0
205.06883	1.3
236.09441	0.3
260.74924	0.3
273.12350	0.4
311.13763	0.2
321.12216	0.6
325.11990	0.4
339.13297	1.1
354.87830	0.3
357.14459	26.5
358.14642	0.4
389.15875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1598
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
51.22874	0.7
53.03945	1.6
55.01876	25.9
57.03443	0.8
58.87191	0.7
62.06090	1.1
65.03938	10.1
67.05505	3.3
69.03424	2.3
69.07076	1.7
70.06575	1.0
70.25186	0.8
79.05486	4.7
81.03424	1.4
81.07067	1.8
82.04197	1.9
85.02901	4.5
86.09702	1.6
91.05486	100.0
93.03398	2.8
93.07027	1.7
93.17275	0.9
94.04195	1.3
95.04981	4.9
95.08615	1.2
97.02886	1.2
97.06533	2.2
103.05473	12.1
104.07133	1.1
105.04509	0.9
105.07038	2.5
107.04952	7.3
107.08609	1.5
108.02102	0.8
110.03667	3.2
110.07171	1.0
111.04461	1.1
115.05477	2.6
117.07028	2.4
119.04917	0.9
119.08653	1.3
120.08109	0.7
121.02899	0.8
121.06523	3.7
121.10151	1.5
122.03661	3.7
123.00884	0.8
123.04445	3.2
124.05266	1.4
125.06001	2.2
128.06248	2.2
129.07021	9.3
131.04927	16.1
131.08603	2.1
133.06520	1.3
133.10077	1.1
134.03679	0.9
135.04437	1.5
137.05986	32.9
138.03113	2.4
138.06303	1.5
140.04681	1.1
141.06999	1.7
142.02637	2.5
143.08524	1.1
145.06461	4.3
147.04443	1.2
149.02376	2.9
149.05972	9.0
151.03928	3.3
152.04810	0.8
153.05521	3.2
153.06903	1.1
155.07063	1.8
157.06514	9.1
158.07297	1.4
159.04471	2.7
159.08083	1.3
160.05222	2.2
161.05968	2.0
163.07552	6.5
165.05547	0.9
167.03412	2.5
167.07076	16.3
168.07358	0.8
169.06413	1.0
171.06540	3.1
173.06059	1.3
174.06795	5.6
175.07555	11.5
177.05473	27.1
177.09087	1.7
178.06284	0.9
179.03352	1.4
181.04961	72.5
183.06540	3.8
186.06821	1.4
187.07581	4.0
188.08464	1.6
189.09081	12.2
189.10526	1.0
191.07043	3.3
201.09067	4.8
203.03409	1.8
205.08609	1.9
206.07280	1.0
209.08098	41.3
217.06697	1.7
217.08658	5.3
218.07352	1.6
219.08125	3.1
219.10234	11.2
221.08060	2.0
227.01564	1.0
233.04500	1.5
233.09720	1.4
234.06744	2.0
235.07594	1.1
235.09688	2.5
237.09203	1.3
237.16905	1.6
239.07130	2.6
245.04427	1.2
246.06819	1.0
247.07524	1.7
248.08336	1.2
249.09117	3.2
251.06987	1.5
255.17847	3.0
257.08224	2.7
261.09247	3.4
262.06393	1.4
263.07361	1.1
265.08847	1.3
269.08109	2.0
277.08578	8.5
278.09311	1.8
279.10306	1.6
281.11636	1.1
282.24350	1.1
289.08557	1.6
291.10083	1.1
293.08176	4.7
293.11774	2.5
300.25565	1.0
307.09500	1.7
309.11383	2.9
311.09354	3.8
311.12744	1.1
321.11386	3.6
323.09088	7.1
329.06570	0.9
332.20694	0.9
335.09009	6.4
339.12305	12.3
341.13980	2.5
353.10248	7.3
353.13995	1.8
359.14749	1.3
371.11227	2.2
371.15079	15.9
372.31177	1.5
389.16013	53.5
389.33707	1.6
390.16470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03935	1.4
55.01877	17.9
59.88411	1.3
65.03922	4.3
67.05501	3.9
69.03416	2.7
69.07073	1.9
70.06603	2.8
79.05481	5.5
79.64973	1.2
81.03408	1.5
81.07055	4.4
82.04207	1.7
83.08611	1.6
84.08142	2.5
85.02898	5.5
86.09702	3.1
91.05475	6.6
93.03430	1.5
93.07056	2.4
93.43243	1.2
95.04956	7.5
95.08625	1.9
97.02908	2.2
97.06544	5.1
103.05481	11.3
104.07116	3.2
105.06993	1.7
107.04964	9.8
109.06510	2.0
110.03647	2.1
110.07160	1.3
111.04469	2.4
115.05482	2.9
117.07029	2.7
120.08105	1.5
120.20324	1.2
121.06482	2.9
121.10129	1.6
122.03668	4.8
123.04456	8.2
123.11675	1.7
124.05196	2.1
125.05988	2.5
127.03933	1.6
128.06252	3.0
129.07016	16.7
131.04926	12.9
131.08568	10.6
137.05989	38.7
138.03137	1.5
139.03894	3.5
140.04616	1.6
141.06984	11.5
142.02640	2.0
143.04973	1.7
143.08607	1.8
144.05696	2.6
145.06508	5.5
146.07315	1.4
146.11789	1.6
149.05986	5.9
151.03918	2.2
151.07533	3.1
153.05441	3.1
157.06506	14.2
158.07277	6.0
159.04414	2.8
159.08032	7.8
159.16330	1.2
160.05225	4.3
161.06024	1.7
161.09653	1.8
163.07503	4.9
165.06987	1.5
167.07062	20.2
168.04156	2.4
169.06468	4.2
170.07245	1.5
171.06619	6.4
171.07886	1.6
173.06017	2.2
174.06760	18.9
175.07559	12.3
177.05487	17.8
177.09070	2.2
177.67220	1.3
181.04976	52.1
182.05348	1.4
182.40662	1.1
183.06541	15.4
186.06760	5.5
187.07523	6.6
187.67139	1.2
188.08331	2.9
189.07248	1.4
189.09103	41.2
191.07024	2.5
191.08633	2.4
191.10588	2.2
201.09140	16.8
203.08716	1.7
205.06570	1.6
205.08551	1.9
206.07378	2.7
209.08099	35.5
217.06509	4.9
217.08591	4.8
218.07321	5.6
219.08197	4.5
219.10167	100.0
221.09827	1.5
222.06570	1.4
229.03012	1.5
231.08070	2.0
232.08885	1.9
233.05963	2.5
233.09676	4.7
234.06729	6.4
235.07513	2.7
239.07118	1.6
241.09608	2.5
246.06755	2.8
247.07549	3.8
248.08289	2.7
249.09099	11.3
251.10754	2.4
255.11296	2.0
261.09088	10.6
262.06271	3.1
262.09622	1.8
263.06952	3.1
264.07840	2.7
265.08612	4.7
275.10571	2.1
276.07776	2.1
277.08640	27.7
278.09360	4.5
279.06747	1.5
279.10071	5.6
281.11819	1.5
283.10712	2.3
289.08566	2.5
290.09375	1.9
291.10193	4.7
293.08359	2.4
293.11679	4.4
294.08795	2.0
295.10266	1.8
306.08728	2.6
307.09494	4.2
308.10309	1.8
309.11209	8.9
311.13025	2.5
321.11334	7.1
329.11142	7.7
339.08362	2.6
339.12292	36.6
339.16388	2.1
341.13953	3.7
353.14005	2.6
357.10266	2.5
359.14890	2.1
371.14896	41.2
389.16077	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	388.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.05515	2.8
62.06096	23.3
65.03934	0.5
67.05180	0.6
67.05506	6.4
67.44453	0.4
68.05034	0.7
69.03423	0.8
69.07076	3.5
69.42181	1.8
69.42606	1.1
70.06578	1.3
71.04998	0.8
72.04513	0.5
72.08156	0.4
73.02925	0.6
73.07435	0.4
79.05070	0.5
79.05499	4.2
81.03405	1.1
81.07065	11.6
82.06563	0.5
83.04971	1.3
83.08631	1.3
84.04510	0.8
84.08143	1.0
85.02885	0.5
85.05301	0.9
85.06603	0.4
86.06078	2.0
86.09730	2.7
91.05491	11.4
93.07053	3.5
94.06615	0.4
95.04960	0.8
95.08617	3.9
96.08117	1.1
97.06548	1.9
98.06059	6.8
99.00806	0.7
99.04448	1.7
99.08104	0.6
99.26898	0.4
103.05489	0.4
104.07112	6.7
105.07041	5.7
106.50165	0.4
107.08572	1.4
108.08113	0.5
109.06519	1.6
109.10130	0.7
110.09657	0.6
112.07598	0.8
116.10767	0.5
117.07032	0.6
119.08587	3.8
120.08122	0.6
121.10158	2.6
122.09678	0.5
123.08092	0.4
123.11728	2.5
124.07586	0.7
126.09166	0.5
129.07002	0.7
131.08577	1.5
133.10135	3.0
137.05992	4.4
137.13274	0.5
138.06314	2.1
138.09192	1.0
145.10152	0.9
146.11859	1.8
147.11702	5.4
149.09569	0.6
156.06606	0.5
157.10144	0.9
162.12750	0.7
164.14360	1.6
165.12697	1.3
167.07050	0.8
168.07458	0.7
173.13297	0.6
174.12804	0.4
175.11174	0.8
181.04984	1.8
191.14325	0.6
192.13765	1.1
193.12190	0.5
194.07640	0.4
197.12894	0.7
200.12805	0.5
208.16992	12.6
209.08086	0.5
209.15346	1.0
210.18591	4.4
215.13960	1.2
218.15453	1.2
225.12457	0.5
236.16476	38.9
237.16879	0.7
251.84149	0.4
254.17528	100.0
255.17889	0.8
272.18597	1.8
327.14377	1.3
352.24756	4.0
358.13660	0.8
370.18683	6.7
370.25708	2.2
388.14682	2.5
388.19614	3.6
388.27274	0.6
393.90765	0.4
409.34702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66313	41.3
57.81752	33.5
65.57605	37.3
67.05515	100.0
69.07055	58.4
70.06582	39.8
70.80230	62.7
74.54285	36.7
79.05499	62.3
81.07053	55.8
85.02942	37.5
93.07047	42.0
95.08582	66.5
97.06527	70.1
105.07055	39.7
107.08610	61.2
119.08611	69.4
130.05020	39.2
133.80759	39.1
137.06027	44.7
139.97525	39.1
173.11963	37.5
321.17093	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	389.1598
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.43283	0.7
53.03954	1.1
55.01879	33.9
55.05515	1.5
57.03424	1.2
65.03948	10.5
67.05518	6.8
69.03433	2.2
69.07082	1.6
71.51897	1.1
75.41031	0.9
75.92849	0.8
77.03952	1.2
79.05504	5.1
81.03429	1.5
81.07055	3.5
82.04198	2.0
84.08122	1.1
85.02914	5.5
86.09719	1.8
87.10040	1.0
89.03896	0.9
91.05488	100.0
93.03409	3.0
93.07027	2.1
94.04251	1.3
95.04958	5.7
95.08622	2.1
97.02885	2.1
97.06548	3.2
99.04493	1.0
103.05482	14.8
105.03409	0.9
105.07060	2.0
107.04969	9.1
107.08611	1.3
108.02106	2.1
109.06538	2.0
110.03673	4.6
110.07143	1.3
111.04461	1.5
115.05476	2.3
117.03407	1.5
117.07051	3.7
119.08598	2.5
121.06519	5.8
122.03667	3.7
123.04452	5.0
124.05234	1.1
125.06017	3.5
128.06253	3.7
129.07030	8.8
131.04941	17.6
131.08603	2.6
132.05687	1.2
133.06496	2.1
135.04433	1.2
137.05991	41.9
138.03120	2.3
138.06357	2.1
141.07039	2.7
142.02681	3.2
143.04926	0.9
143.08728	1.2
145.06490	4.5
145.10136	1.5
147.04466	1.6
149.02403	3.0
149.06000	9.7
151.03931	3.3
151.07579	3.6
152.04700	1.9
153.05484	6.4
155.07129	1.7
157.06496	7.2
158.07295	1.9
159.04488	2.4
159.08099	2.3
160.05269	2.7
161.06023	3.0
163.03888	2.0
163.07542	8.3
165.05409	1.7
167.03445	2.8
167.07059	21.6
167.08426	1.4
169.06529	1.1
171.06584	3.7
173.06088	2.4
174.06787	5.3
175.07562	11.3
177.05489	33.5
177.09053	1.8
178.06281	0.9
179.03526	1.1
179.07100	1.0
181.04970	83.0
183.06575	4.8
185.06041	1.0
186.06850	1.0
187.07559	5.1
188.08403	2.8
189.05539	1.4
189.09109	12.8
191.07089	2.7
193.08728	1.4
201.09154	6.0
203.03391	1.1
205.08670	2.7
206.07355	1.7
209.08102	47.5
217.05019	1.0
217.08633	6.3
218.07454	2.6
219.08130	2.1
219.10101	11.1
221.07983	1.5
221.09883	2.1
223.07718	1.0
234.06827	1.3
235.07623	2.1
235.09756	2.5
237.17007	1.1
239.07048	2.7
245.01851	0.9
245.04471	1.6
247.07642	2.0
248.08394	1.0
249.09074	5.4
251.07077	1.7
255.17937	3.0
257.08093	2.4
260.08401	1.1
261.09146	4.9
263.07327	1.4
264.07974	0.8
265.03760	0.9
265.08594	1.3
269.08276	2.0
277.08618	9.7
278.09579	1.0
279.10223	2.5
283.10690	1.1
289.08618	1.5
290.09451	1.1
291.10269	1.3
293.08142	5.3
293.11835	2.9
295.09766	1.1
307.09882	2.3
308.10605	1.0
309.11429	3.8
311.09244	4.4
311.12796	2.0
321.11496	4.2
323.09232	9.0
323.12689	1.5
335.09384	3.7
339.12317	11.3
341.13995	2.8
353.10135	6.6
353.13947	1.6
355.15482	1.1
359.14871	2.6
371.11032	1.9
371.14923	17.5
372.31198	1.6
389.16049	54.6
389.33832	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
57.72470	2.0
60.04524	2.7
67.05490	2.5
69.03428	5.6
69.34510	3.0
69.34908	13.2
70.06599	14.1
70.57583	1.9
72.08150	5.6
81.03424	2.5
81.07053	2.5
84.04507	3.8
84.08141	10.6
85.02881	4.7
86.09707	20.6
87.10021	2.8
89.03885	2.6
93.04998	2.1
95.04953	2.1
97.02869	3.0
98.21451	4.0
107.08577	2.4
111.37590	2.5
112.08708	2.8
116.07110	4.9
129.10255	4.6
130.05045	2.1
130.08615	2.9
135.04431	14.2
139.03905	3.8
143.07321	1.9
145.02852	10.7
147.04440	4.9
149.02332	3.2
153.05481	79.5
161.06068	2.2
163.03918	100.0
164.11543	2.5
177.01794	5.8
177.04056	2.6
177.05487	2.9
181.04945	3.4
187.03998	2.8
189.05482	2.3
195.06522	40.1
203.03403	41.1
205.05028	3.4
208.14104	3.0
215.03445	5.6
224.71210	1.8
226.15295	3.0
231.02827	2.7
243.51990	2.2
249.14447	2.6
261.03986	6.0
275.05655	2.5
279.05020	13.2
291.05045	11.7
321.06049	6.3
339.07114	49.2
371.09671	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.16693	0.3
55.01871	0.8
55.05518	0.4
57.03440	0.4
61.02927	0.8
63.68951	0.4
67.05515	0.8
68.99776	0.4
69.03427	3.6
69.07059	0.4
69.51295	0.5
69.51701	1.8
70.06575	0.9
71.04967	0.5
72.08158	0.4
73.02921	0.5
75.01949	0.3
77.03923	0.5
79.05492	4.0
81.03413	2.3
81.07059	1.0
83.04959	0.4
84.08141	2.1
84.74239	0.3
85.02913	8.9
85.03432	0.4
86.09715	1.1
87.00838	4.6
91.05475	0.7
93.07085	0.7
95.04950	1.0
97.02903	4.8
97.06526	0.4
98.21536	0.6
99.04473	1.7
103.05479	2.8
103.40782	0.3
104.07103	1.0
105.01877	10.9
105.07038	100.0
106.07372	1.0
107.08624	0.8
109.02888	2.1
109.06559	0.6
110.02972	0.3
117.07027	0.5
119.08541	0.8
121.06532	0.6
121.10181	0.4
122.09709	0.9
123.08097	0.4
123.59280	0.3
127.03924	9.4
133.10202	0.4
137.05968	1.1
137.09575	0.4
138.06349	1.0
138.09944	0.4
143.08502	0.4
145.04970	5.6
159.02901	0.8
167.07178	0.5
174.16730	0.3
189.03935	0.5
191.10606	0.4
201.05486	0.5
202.05859	0.6
208.14207	0.5
213.09167	0.8
218.12555	0.4
231.04948	3.9
249.06078	2.5
254.08170	0.7
298.97830	0.3
324.45276	0.4
349.08545	0.3
358.13223	0.4
388.14499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
54.97340	0.9
55.01878	7.1
56.59371	1.0
57.03439	6.8
60.04529	1.1
61.02929	6.0
67.05490	1.2
68.99779	2.7
69.03438	34.6
69.17686	2.4
69.18096	8.6
70.06593	2.0
71.04986	4.2
73.02924	7.2
79.05511	1.6
81.02995	1.6
81.03427	22.6
83.01340	1.2
84.08158	1.5
85.02914	100.0
86.09714	1.4
87.00838	39.9
87.04486	1.3
91.03981	1.7
91.05492	5.0
93.07052	2.0
95.06104	1.1
97.02901	32.5
98.20744	2.0
99.04465	13.3
99.08126	1.4
103.05482	1.7
104.07096	3.0
105.01875	67.6
105.06318	1.2
105.07034	24.2
108.04485	4.4
109.02886	26.7
115.04046	1.1
117.01841	3.1
117.03358	1.8
119.08545	1.4
121.06537	4.7
123.08051	1.5
124.08400	1.3
126.05469	2.0
127.03927	73.1
129.01871	4.1
137.05998	4.4
138.06351	1.9
145.02950	4.8
145.04973	39.3
147.02925	2.7
148.12000	0.9
159.02916	14.5
167.07085	1.4
177.04050	1.6
177.05470	9.2
189.03987	3.8
213.03917	2.3
213.09099	1.7
219.06651	1.4
231.05020	27.9
231.10112	1.6
243.05276	3.5
244.06084	1.2
244.09727	1.6
248.07727	2.1
248.33281	1.3
249.06050	11.0
251.09198	3.9
254.08162	6.2
352.24844	1.4
359.06827	1.1
370.26065	1.6
388.10349	1.3
388.15997	3.0
388.16824	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	387.2532
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03954	1.0
55.01871	1.0
55.05513	5.1
57.03441	1.0
57.07076	1.1
58.54082	0.5
59.80890	0.6
65.03941	0.8
67.05508	6.1
69.03427	1.3
69.06743	0.5
69.07074	5.2
70.06587	1.1
70.44999	0.5
71.04996	1.8
71.52290	0.5
73.02922	0.5
79.05500	7.1
81.03423	1.3
81.07064	10.9
83.04980	1.9
83.08624	3.4
84.08137	0.6
85.02929	0.6
85.06549	1.2
87.04470	0.5
89.44247	0.5
91.05495	7.0
93.07059	9.3
95.04964	1.6
95.08612	8.1
97.06538	7.7
97.10209	2.7
97.10699	0.6
99.04435	1.9
99.08114	0.9
99.84960	0.5
101.06017	0.6
105.07043	9.4
107.04949	0.6
107.08607	8.0
109.02891	0.5
109.06509	2.7
109.10154	5.4
111.08094	1.8
111.11731	1.1
115.05428	0.9
115.07573	0.7
117.07013	2.7
119.08592	8.3
121.06525	1.6
121.10146	5.3
122.03616	0.6
123.04443	0.9
123.08047	1.7
123.11742	1.4
125.09620	1.1
127.03968	0.6
127.07548	2.3
128.06166	0.5
129.07014	1.5
129.77092	0.5
131.08569	5.1
133.06502	0.5
133.10133	8.1
135.08067	1.3
135.11694	2.9
137.05994	7.9
137.09610	1.2
139.03920	4.2
139.07497	0.6
139.11176	0.5
141.05368	0.5
141.07024	0.6
142.07776	1.0
142.98116	0.6
143.04910	0.8
143.08574	5.6
144.09280	0.6
145.06424	0.6
145.10138	11.0
147.08022	0.6
147.11690	4.3
149.09639	0.8
149.13283	1.0
151.03972	0.8
151.07430	0.7
151.11258	0.6
155.07036	6.6
155.08542	2.3
156.09274	0.9
157.10139	7.2
158.10887	1.0
159.08093	0.6
159.10461	0.9
159.11713	10.3
161.13278	1.8
163.07544	0.9
163.11189	0.9
165.09138	1.5
165.12779	0.6
167.07040	2.1
167.08440	0.6
168.09303	0.8
169.08664	1.6
169.10155	3.9
170.10892	0.8
171.11696	7.5
172.12508	0.6
173.05974	1.1
173.09645	1.0
173.13284	5.3
175.07516	0.5
175.11115	0.7
175.14757	0.9
179.08612	0.5
181.05005	1.4
181.10147	1.5
182.10909	0.9
183.11716	4.3
185.13292	5.1
186.13979	0.6
187.14850	3.0
191.14400	0.5
191.17903	0.5
195.11760	2.0
196.12451	0.8
197.13284	8.0
199.14845	4.0
200.15370	0.5
201.09178	0.6
201.16422	1.1
207.13828	0.7
209.13315	1.2
210.14020	0.6
211.14836	4.7
213.12848	0.6
213.16429	2.1
215.07133	0.5
215.14328	1.6
217.16023	0.7
217.19519	2.0
219.10187	1.6
221.13303	0.6
223.14825	1.9
224.15709	0.8
225.16350	2.2
227.14427	0.8
227.17923	1.1
229.15918	2.2
235.20616	2.1
237.16415	5.1
239.17953	1.6
241.08623	0.7
241.15880	0.7
243.17545	1.3
252.18805	3.1
253.19556	2.4
255.17429	2.6
259.13364	0.6
261.14886	2.9
263.18167	0.6
264.18680	0.6
265.19678	3.0
270.19714	1.1
271.06454	0.6
271.20569	1.3
275.16385	4.6
277.17892	1.0
279.21005	3.2
281.22726	0.7
283.20660	0.8
284.26047	0.7
287.16446	1.7
297.22226	2.5
305.22693	1.6
313.18002	0.7
317.21207	2.9
323.23718	6.9
327.19553	0.6
333.22177	1.1
341.24680	2.5
351.23328	2.7
354.21866	1.4
357.13419	0.6
369.13541	0.9
369.24274	19.0
370.29419	0.8
387.14862	3.8
387.25320	100.0
388.25775	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	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03954	4.3
56.84529	3.8
61.02912	4.8
64.63109	3.8
64.73091	4.3
67.05501	4.7
69.03433	17.0
69.14333	36.8
70.06610	23.7
72.08163	4.3
74.43344	4.6
79.05491	8.2
81.03405	5.3
81.07058	10.5
83.04973	5.6
84.08128	4.9
85.02920	41.0
86.09703	13.8
91.05489	6.8
91.56453	4.2
93.07054	5.8
97.02897	11.2
97.06576	6.3
98.20794	8.4
98.40005	4.8
105.07062	7.8
107.08601	14.2
109.06499	6.7
118.06912	4.9
119.08569	9.7
121.06487	6.5
121.10149	22.2
123.08105	12.3
127.03933	8.2
129.10229	9.5
135.11731	7.7
137.09648	11.6
145.02841	7.2
145.04979	12.0
145.10143	12.4
146.03244	5.3
147.08093	5.9
149.09642	100.0
151.07570	9.0
151.11209	6.3
152.83517	4.7
161.13219	8.3
163.11189	17.1
171.11688	4.9
177.05499	6.7
178.06058	4.1
181.12279	27.0
184.19449	4.5
189.12776	30.2
207.13826	75.8
225.14847	13.7
243.33101	4.0
252.09538	4.9
269.53772	4.2
306.04956	4.3
324.14883	4.8
387.20245	6.1
409.81448	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.21177	3.6
55.05521	4.4
57.03427	7.4
59.90511	3.8
61.02925	5.8
67.05497	16.3
69.03430	21.3
69.07066	10.5
69.78656	20.9
70.06586	26.0
71.04966	5.2
72.08157	11.0
73.02908	4.0
75.86352	4.1
76.02224	4.2
81.03404	14.8
81.07058	9.2
83.04983	5.9
84.08128	8.1
85.02907	45.0
86.09706	53.3
91.05495	11.8
93.07043	11.8
95.04942	7.2
95.08608	68.5
97.02912	21.6
98.20827	7.8
98.99696	4.0
99.04487	4.2
99.08083	5.2
105.07044	30.1
107.08580	18.4
109.02888	9.0
109.06528	10.7
109.10136	5.8
115.72147	3.6
119.08604	41.7
121.06529	6.0
121.10140	15.7
123.07198	7.7
123.08071	100.0
125.06023	4.5
127.03931	10.4
131.08559	4.8
133.06509	7.7
133.10155	19.8
135.08089	4.4
135.11687	49.3
137.06018	6.1
137.09630	45.0
145.02757	3.9
145.04982	8.2
147.08025	9.4
147.11717	30.9
149.09630	34.5
151.07559	19.0
151.11174	4.3
156.09367	4.2
161.13264	73.4
163.11125	6.9
165.12726	7.1
167.06975	5.6
167.10652	4.7
171.11681	7.4
174.10423	9.4
177.05429	5.5
178.05775	7.2
179.14285	7.0
181.12195	6.7
189.12733	69.1
199.17967	3.9
204.11877	4.2
207.13795	95.9
207.94649	3.9
225.14862	17.6
230.45227	4.2
246.36948	3.8
303.77051	5.3
305.66879	5.0
387.14859	6.8
387.20016	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03945	1.4
55.05515	1.2
57.03434	1.9
61.02913	2.1
67.05501	2.3
69.03425	4.3
69.07058	1.1
70.06599	0.6
71.04991	1.1
72.08144	0.8
73.02872	0.7
79.05480	2.3
81.03431	3.6
81.07056	3.0
83.04989	3.6
84.08155	0.7
85.02901	13.5
86.09712	1.6
91.03902	0.7
91.05484	1.9
93.07047	2.7
95.04987	2.0
95.08612	4.2
97.02895	5.1
97.06528	2.4
98.20750	2.0
99.04453	1.6
99.08089	2.4
103.05470	0.9
104.07112	1.0
105.07037	2.9
107.04948	1.4
107.08603	2.3
109.02890	2.4
109.06536	6.0
109.10143	1.0
111.04450	1.9
111.08086	1.0
119.08573	2.5
121.06509	2.8
121.10152	5.2
122.03632	1.3
123.08072	100.0
125.09618	0.9
127.03922	4.0
129.07042	0.7
131.08543	1.0
133.10161	2.1
135.11668	1.1
137.05974	15.2
137.09645	1.1
141.09114	0.9
145.02859	1.4
145.05022	3.6
145.06436	0.9
145.10170	1.1
147.11668	2.9
149.09599	4.3
151.03925	1.4
151.07593	3.1
151.11142	4.3
161.13271	1.0
163.11185	2.7
163.98224	0.7
165.05527	1.1
165.12744	0.9
167.07016	3.3
167.10719	2.5
177.05467	3.2
181.04953	1.7
181.12218	7.6
189.12753	2.1
193.12274	2.1
207.13808	11.3
211.13304	0.7
217.08548	0.7
225.14876	14.3
251.09209	1.8
271.15060	0.8
288.36295	0.6
357.13300	2.2
387.14392	6.7
387.19995	2.9
387.32162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03943	1.0
55.05505	0.5
55.77942	0.2
57.03434	0.2
59.20043	0.2
65.03941	0.2
67.05505	0.4
69.03422	1.0
69.07059	0.3
71.26100	0.4
75.69627	0.2
79.05502	4.7
81.03423	1.0
81.07053	0.7
83.05009	0.3
85.02917	0.2
91.05481	1.0
93.07050	1.5
95.04988	1.0
95.08610	0.3
97.02846	0.3
97.06550	0.3
102.81925	0.2
103.05479	2.4
105.07039	100.0
106.07377	0.6
107.08598	0.3
111.04487	0.3
118.05576	0.3
119.04968	1.9
121.06527	2.2
122.45228	0.2
137.05988	0.5
144.83080	0.2
147.06451	0.3
154.98759	0.2
156.35210	0.2
157.10146	0.3
194.80750	0.3
387.25314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
57.07063	4.2
57.41000	2.3
67.05511	19.4
70.17530	8.4
70.17933	4.8
81.07054	4.2
85.02890	6.8
85.06556	11.7
91.05447	3.4
93.07049	6.2
95.04982	2.8
95.08614	100.0
105.07030	4.7
107.08594	11.1
113.06017	13.6
119.08580	17.1
120.30725	2.3
121.10147	3.2
123.08071	41.8
123.11669	3.1
133.10063	3.5
135.11661	16.0
137.09669	4.7
143.08669	2.9
145.48059	2.6
147.11720	7.3
149.09630	42.1
151.14813	3.0
156.42290	2.4
161.12126	2.5
161.13231	11.8
163.11172	5.2
165.12762	9.1
171.11772	3.1
189.12694	21.9
207.13815	73.9
218.51541	2.6
321.40195	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.29375	0.4
51.77758	0.4
52.22635	0.4
55.01872	0.9
55.05519	0.8
57.03418	0.5
61.00786	0.4
65.03926	1.8
67.05509	2.0
69.03429	0.9
69.07056	0.7
71.51872	0.6
79.05514	2.0
81.03402	0.6
81.07054	1.4
83.04967	0.6
85.02937	0.7
85.06574	0.4
90.64087	0.4
91.05472	1.7
92.62173	0.5
93.07047	1.1
94.04193	2.4
95.04969	1.3
95.08618	1.2
97.02846	0.5
97.06538	1.0
100.44951	0.4
103.05482	4.3
105.07042	1.8
107.04957	1.6
107.08617	1.0
108.02115	0.5
109.06525	0.4
109.10171	0.6
115.05471	2.5
117.07027	2.7
118.04175	0.6
119.04936	0.6
119.08610	0.8
121.06505	1.2
121.10192	0.6
122.03648	6.6
123.04502	0.8
124.05267	0.4
127.39114	0.4
130.04112	0.6
131.04927	3.5
133.02823	0.5
133.06487	0.8
133.10121	0.6
135.04390	0.7
137.05986	100.0
138.03064	0.5
138.06264	0.9
142.02672	0.7
143.04950	3.2
145.06516	2.7
145.10179	0.5
147.08017	0.8
147.11693	0.4
148.05159	1.7
149.05975	0.4
151.03918	12.8
151.05029	1.0
151.07561	0.6
153.05481	0.6
155.06071	0.9
155.08583	0.6
161.05986	0.7
162.06812	0.5
163.07530	3.9
167.07056	12.6
171.06604	0.5
173.06017	3.7
175.07602	1.4
176.04721	0.6
181.04961	21.1
185.49829	0.5
187.07607	0.5
191.07047	13.4
193.08501	0.6
203.07088	1.6
205.08649	1.7
209.08145	0.7
233.08023	1.2
235.09650	1.8
237.09094	0.5
254.95549	0.4
256.85001	0.4
273.62045	0.4
351.12180	0.8
355.11755	0.8
357.13342	13.0
358.13742	0.7
369.13370	0.7
369.23776	0.5
387.14417	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	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01876	1.1
55.05504	1.9
58.06608	0.7
65.03937	1.3
66.04697	0.6
66.29061	0.6
67.05504	2.9
69.03426	1.3
69.07082	3.1
69.17677	0.9
69.18017	5.4
70.06594	1.9
74.28616	0.5
76.07617	0.6
78.48059	0.5
79.05491	2.5
81.03423	0.7
81.07069	3.0
83.08622	1.8
84.08143	1.0
85.02906	0.8
87.04461	2.3
91.05494	2.6
93.07048	2.0
94.04180	2.2
95.04975	1.7
95.08593	1.5
97.06548	3.4
97.10178	1.2
98.06042	2.3
103.05471	4.8
105.07026	2.1
106.82599	0.5
107.04984	1.4
107.08594	0.9
107.51207	0.5
108.08121	1.1
109.10171	0.7
111.04461	0.9
112.07636	0.7
115.05466	2.8
116.07107	1.0
117.07023	2.7
118.04144	0.9
119.08582	2.0
121.06544	0.9
121.10152	1.2
122.03661	8.1
123.04413	0.9
125.06009	0.9
126.09180	2.4
127.05498	0.6
129.06993	1.3
131.04922	4.9
131.08586	0.6
132.68794	0.6
133.06496	1.0
133.10089	0.7
135.08008	0.8
136.07610	5.0
137.05983	100.0
138.06262	0.8
139.03902	1.7
139.07556	0.6
142.02643	0.7
143.04956	3.2
143.08565	0.6
143.11819	0.6
145.06474	2.6
145.10123	1.5
148.05219	2.7
151.03918	13.7
151.05023	1.0
151.07512	0.7
155.06084	0.7
155.08269	0.5
157.10217	0.5
161.05942	1.3
161.09625	0.7
163.07539	5.0
164.07021	0.5
167.07043	12.0
167.08438	0.8
172.03914	1.3
173.06012	3.1
175.07562	1.6
176.04762	0.9
181.04961	16.9
191.07040	15.7
203.07027	1.7
204.06627	1.4
205.08636	2.2
209.08037	0.5
215.07086	0.5
219.10156	1.0
224.15025	0.5
233.08125	1.6
235.09685	2.4
249.16872	0.5
284.25806	5.2
293.07867	0.5
298.23630	1.1
337.10681	0.8
351.12415	0.8
355.12564	1.2
357.13315	11.7
369.13394	0.9
369.26337	2.4
370.29547	6.1
387.14423	38.2
387.27228	3.5
387.32190	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	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03952	0.7
55.01873	0.7
65.03936	1.8
66.04716	0.7
67.05491	1.2
69.03421	1.2
69.07069	0.5
70.06593	0.5
79.05515	1.9
81.03411	1.3
81.07051	1.3
85.02890	1.6
86.09686	0.6
91.05486	2.0
93.07041	1.0
94.04201	3.0
95.04969	1.0
95.08624	0.8
97.02890	0.9
97.06541	1.2
103.05470	3.8
105.07041	1.6
107.04953	1.6
107.08611	1.0
108.02105	0.9
109.02881	0.6
109.06519	1.1
110.03721	0.5
111.04392	0.4
115.05459	1.5
117.07024	1.9
118.04152	0.6
119.08579	0.6
121.06513	0.6
122.03658	7.1
123.04456	1.2
123.11679	0.8
125.05981	0.7
127.03922	1.1
127.05524	0.4
131.04945	3.5
131.08650	0.5
133.02890	0.5
133.06538	1.0
137.05986	100.0
138.03157	0.5
138.06335	0.7
142.02652	0.6
143.04932	2.9
145.06490	2.5
145.10159	0.7
147.11708	1.8
148.05203	2.3
151.03923	9.6
151.05009	0.6
153.05513	0.9
155.06081	1.1
161.05984	0.8
163.07512	2.7
165.05486	0.7
165.12793	1.9
167.07051	13.8
167.08458	0.8
171.06596	1.0
173.05988	3.5
175.07570	1.2
181.04964	25.9
183.06525	0.5
183.13818	0.5
191.07033	9.6
193.12267	0.9
203.07040	1.3
205.08585	1.9
207.10300	0.5
209.08051	0.5
217.12260	0.8
229.14438	1.5
233.08151	1.6
235.09679	2.1
235.13396	0.7
237.09145	0.5
253.14337	1.4
263.09244	0.5
265.08646	0.7
277.08508	0.6
280.09344	0.4
299.09546	0.4
326.51898	0.5
339.12277	0.5
342.41641	0.4
351.12405	1.5
355.11765	0.9
357.08914	0.8
357.13342	12.9
369.13452	1.4
387.14435	36.8
388.15173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.87437	0.3
55.01869	0.5
55.05497	0.4
57.03430	0.4
61.01129	0.6
65.03936	1.2
66.04710	0.4
67.05502	1.4
68.05035	0.3
69.03391	0.5
70.06258	0.6
70.06588	11.9
71.06934	1.3
72.08163	0.4
79.05490	1.4
81.03410	0.3
81.07066	1.4
82.04192	0.3
83.04966	0.3
84.04498	0.4
84.08147	0.3
85.02905	1.1
85.06539	0.3
86.09702	1.1
91.05479	1.0
93.03416	0.3
93.07045	0.6
94.04179	2.9
95.04986	0.6
95.08599	0.6
97.02901	0.3
97.06530	0.4
103.05494	0.7
105.07037	0.9
107.04962	0.7
107.08612	0.4
109.06547	0.4
109.10169	2.5
110.03606	0.3
115.05466	1.9
116.07052	1.3
117.07014	2.0
118.06886	3.9
119.07270	0.5
119.08593	0.9
120.06451	0.4
122.03654	7.6
123.04423	0.5
123.08077	0.3
125.05975	0.3
130.06538	0.5
131.04929	0.4
131.06900	0.3
133.41479	0.2
137.05983	100.0
138.06317	0.5
143.04944	3.0
145.06494	1.7
147.08015	0.5
151.03896	2.6
151.04970	0.4
151.11220	0.4
153.05519	0.5
155.06047	0.9
159.09203	0.6
160.05190	0.4
161.05995	0.3
167.07048	10.7
171.06503	0.7
173.06001	3.6
173.45665	0.3
175.07573	1.1
181.04967	13.3
186.21434	0.3
203.06982	1.7
205.08508	1.7
207.13834	0.5
213.12379	0.9
223.07613	0.3
225.14865	0.8
226.10733	0.4
231.20973	0.3
233.08099	1.2
235.09567	2.0
274.12338	0.7
275.12451	0.5
280.07245	0.3
284.09747	0.3
305.07919	0.4
309.07779	0.3
317.04553	0.3
357.09027	0.6
357.13342	13.5
358.13364	0.3
367.05847	0.4
369.13687	0.4
373.19095	1.0
374.19348	0.5
387.14429	36.8
388.14746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01879	12.6
55.05515	49.9
57.03441	10.5
57.07061	2.4
60.14072	1.1
65.03940	1.3
67.05508	40.3
69.03423	5.9
69.06747	1.3
69.07077	14.8
69.35360	5.4
69.35786	4.4
71.04998	4.3
71.08637	14.7
78.34354	1.1
79.05499	38.9
81.03413	13.2
81.07065	36.4
83.04988	18.7
83.08621	29.4
83.09119	1.7
85.02908	2.9
85.06579	2.7
91.05482	17.4
93.07047	28.1
95.04976	35.9
95.08616	21.0
97.02945	1.5
97.06530	7.2
97.10168	32.4
99.04446	2.6
99.08108	13.1
105.07027	13.0
107.04962	6.7
107.08595	30.5
109.06509	6.1
109.10162	14.5
111.04443	22.6
111.08094	9.1
113.06009	1.7
117.06998	7.2
119.08585	12.9
121.00555	1.3
121.06522	6.3
121.10153	15.0
123.08068	5.4
123.11678	2.0
125.09627	31.0
129.06996	4.6
131.08592	10.2
133.10126	8.6
135.08095	7.4
135.11740	11.1
137.09605	2.6
139.11218	2.3
143.08580	2.8
145.10118	13.3
147.08035	2.2
147.11707	7.8
149.09645	12.7
149.13310	2.3
151.11172	3.5
153.09108	8.1
153.12772	5.9
157.10211	2.9
159.11716	6.4
161.09615	3.0
161.13255	3.3
161.96663	1.1
163.11194	31.6
164.50580	1.3
165.12743	4.3
167.10666	4.4
171.10153	4.1
173.09598	3.0
173.11847	2.3
173.13281	2.5
175.11180	1.6
177.12721	7.5
179.10756	1.3
181.12259	9.5
187.11256	3.1
189.11226	33.5
190.76775	1.5
191.10704	6.6
191.14377	1.4
193.12270	5.1
195.13832	10.2
199.13379	1.7
201.38580	1.3
205.12270	3.0
209.11763	1.8
211.13283	2.3
223.13264	20.5
227.12810	12.5
229.19695	1.8
245.13925	2.3
247.20555	5.6
249.14958	1.8
249.22060	2.1
257.19037	4.6
265.21683	3.3
275.17322	2.5
275.20105	36.2
283.15384	2.4
293.21115	100.0
294.21408	2.4
311.22095	5.1
342.20190	1.3
349.23697	3.1
353.77078	1.2
367.24832	32.7
385.26102	24.8
385.34137	2.5
392.52585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2376
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.05503	11.5
57.07069	12.5
59.04988	5.4
65.09615	3.0
67.05507	15.8
69.03428	3.8
69.07056	3.5
71.28963	2.8
71.53082	3.9
79.05468	7.4
81.07056	18.1
83.04971	3.6
83.08616	6.4
84.08150	100.0
85.06551	5.7
91.05497	17.6
93.07054	17.8
95.04975	8.3
95.08591	17.4
97.06534	9.2
99.04470	3.7
101.39056	3.0
105.07016	20.5
107.08610	27.5
109.06497	10.1
109.10176	5.2
111.04434	3.7
111.08063	11.0
115.05469	3.8
117.07030	6.9
118.42611	3.1
118.94611	3.0
119.08585	29.1
121.06395	3.1
121.10139	9.8
123.08069	20.0
125.09559	3.0
129.07027	8.4
130.07794	3.5
130.08653	8.9
131.08553	20.5
133.06470	4.1
133.10144	10.7
135.08047	10.9
135.11664	20.7
137.05981	13.6
137.09665	4.1
143.08554	9.2
144.09363	6.8
145.10135	26.5
147.08061	7.3
147.11665	2.9
149.09639	9.6
151.07539	47.7
153.09067	4.5
155.10727	4.3
156.09308	4.1
157.10091	6.5
157.32535	2.9
158.07234	4.9
159.08067	10.0
159.11710	27.8
161.09654	8.3
161.13245	5.6
162.10374	5.5
163.11159	19.8
165.09117	10.1
169.10092	6.6
171.11711	4.0
172.08829	5.4
173.09720	3.1
173.13451	2.7
175.11250	5.0
177.09122	12.6
177.12743	21.4
185.13223	2.9
187.11203	15.4
189.12773	10.2
191.14435	2.8
195.11705	3.4
199.11226	5.2
205.12270	37.5
207.13788	7.9
221.15369	7.1
246.16293	5.7
286.19247	9.2
322.31134	6.9
342.50159	3.1
348.72205	3.2
367.22610	8.1
385.09756	3.5
385.23746	98.7
385.34308	25.0
391.70444	3.7
402.86325	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01668	2.1
55.01879	23.2
55.05515	98.3
55.43376	2.0
57.03444	26.8
57.07082	4.4
59.04997	2.9
63.80104	2.1
65.03941	4.0
67.05511	77.9
69.03442	12.9
69.07072	30.3
69.28899	19.3
70.06570	2.1
71.04987	6.9
71.08637	29.2
79.05499	65.7
80.46830	1.9
81.03430	21.3
81.07063	61.4
83.04990	27.4
83.08626	51.3
85.02924	6.4
85.06539	4.4
91.05491	43.3
93.07052	54.4
95.04393	2.6
95.04981	38.0
95.08620	34.3
96.22668	1.8
97.06528	14.1
97.10178	60.4
99.04453	4.8
99.08096	23.9
105.07037	24.5
107.04950	13.8
107.08598	45.3
109.06520	8.1
109.10154	25.7
111.04463	24.8
111.08106	14.4
115.05402	2.3
117.07001	13.8
119.08595	21.0
121.06500	7.9
121.10145	24.5
123.08067	6.4
123.11702	6.3
125.09637	66.6
129.07021	4.0
130.07727	2.9
131.08585	11.5
133.06497	2.5
133.10147	13.1
135.08075	15.5
135.11691	15.0
137.09608	3.9
139.11195	4.2
141.09090	2.4
143.08560	3.0
143.10730	2.1
145.10112	19.8
147.08063	4.2
147.11710	10.3
149.02373	5.6
149.09669	12.9
149.13283	5.5
151.11200	9.4
153.01811	4.8
153.09128	13.4
153.12759	6.7
157.10127	4.7
159.11679	7.8
161.09662	4.6
161.13281	3.9
163.11186	39.2
165.12756	7.6
167.10674	5.1
169.10146	3.3
171.10219	4.8
173.09656	5.3
173.11774	4.6
173.13217	4.9
175.11252	4.1
175.14948	2.7
177.12714	11.3
181.12225	5.9
187.14854	2.4
189.09607	4.3
189.11255	61.8
189.12943	4.3
191.10693	8.0
193.05028	3.2
193.12285	7.5
195.13863	11.0
199.13228	2.4
201.12953	2.2
205.12213	3.0
211.13408	3.0
223.13342	15.7
227.12816	22.5
229.19392	2.3
243.05231	2.5
245.13953	3.4
247.20630	5.1
257.19138	6.7
275.20074	44.5
293.21143	100.0
349.23703	5.9
367.24893	24.4
385.26016	65.9
385.33609	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	385.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01872	2.4
55.05502	9.8
57.03432	2.0
57.07060	6.2
59.05000	5.0
59.32130	2.2
64.62518	2.0
65.11105	2.2
66.52430	2.2
67.05497	9.2
69.03425	5.4
69.07047	4.5
69.27802	17.1
69.49431	2.5
71.04963	2.8
74.67507	1.8
77.34960	2.0
79.05488	11.4
81.07069	14.1
83.04990	6.5
83.08627	10.9
85.02899	3.9
85.06543	4.7
91.05483	21.4
93.07051	19.1
95.04957	9.8
95.08620	17.0
97.06532	14.2
99.04475	3.6
101.08559	2.4
105.07040	24.8
107.04924	2.3
107.08601	33.1
108.05750	2.7
109.06524	8.3
109.10162	7.2
109.68276	2.1
111.04421	6.8
111.08094	17.5
115.05505	2.5
117.07025	9.7
119.04903	2.8
119.08604	29.3
121.06497	7.9
121.10140	13.7
123.08089	25.3
123.11696	2.2
125.09605	2.8
128.06230	3.8
129.06996	8.0
130.07767	6.6
131.08577	25.4
133.06473	5.0
133.10132	13.7
135.08072	12.4
135.11670	21.7
137.05974	18.1
137.09615	6.2
138.34323	2.0
139.07457	2.0
139.11125	2.2
142.07787	2.9
143.08553	9.7
144.09340	7.4
145.06535	2.9
145.10124	30.6
147.08035	11.7
147.11676	4.5
149.09628	11.9
151.07547	52.0
153.09117	5.0
155.08562	3.1
155.10681	3.9
156.09380	4.6
157.10132	10.1
159.08081	14.5
159.11687	31.8
160.08821	2.4
161.09619	8.6
162.10394	3.4
163.11206	22.0
165.09120	7.2
169.10149	7.1
171.11679	8.9
172.08821	4.2
173.09679	4.2
173.13312	2.3
175.11215	4.9
177.09152	16.8
177.12733	17.9
181.10080	3.0
182.10965	2.9
183.11745	4.4
184.07387	5.7
184.87970	2.1
185.13301	2.9
187.11194	21.8
189.12718	12.7
191.14326	4.2
195.11841	3.5
197.13200	5.2
199.11134	5.3
203.14291	6.2
205.12227	36.4
207.13864	6.2
209.13358	3.3
209.15388	5.7
211.11237	2.8
213.12730	3.5
215.14268	4.1
217.12265	5.9
221.13451	2.6
221.15419	10.5
223.14810	2.8
225.12787	2.4
225.16301	2.9
229.12100	2.7
233.15340	3.9
246.16133	3.4
247.16985	5.1
277.14075	3.4
286.19348	12.8
309.18402	2.5
329.17590	3.1
367.22852	16.6
385.23743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53902	2.4
55.01866	4.7
55.05510	8.1
56.86737	2.7
60.04511	2.8
61.02928	6.0
67.05501	7.4
69.03436	23.2
69.07059	6.9
69.53588	16.9
70.06600	37.4
72.08173	14.0
73.02924	3.6
79.05486	8.5
81.03414	9.9
81.07049	10.2
83.04968	6.9
83.08630	4.8
84.04511	5.1
84.08141	9.9
85.02912	39.2
85.06560	4.3
86.09705	17.7
88.04008	3.1
91.05486	13.5
93.07056	16.7
95.05006	13.0
95.05530	2.7
95.08607	4.4
97.02897	17.5
97.06553	4.7
98.20724	3.3
98.90384	2.5
99.04455	5.3
103.05499	3.5
104.07111	3.8
105.07047	10.0
107.04964	4.4
107.08614	13.0
109.02900	8.1
109.06531	5.1
109.10175	4.6
110.07163	5.7
116.07101	6.2
117.07042	6.2
118.06535	9.3
119.08585	7.0
120.04485	7.7
120.08137	7.0
121.06506	37.3
121.10175	7.4
123.04460	2.8
123.08086	8.0
127.03918	11.3
127.07738	2.6
127.08707	7.8
128.06229	3.4
129.07018	2.7
129.10223	2.7
129.88016	2.5
130.06540	7.1
131.04922	5.1
131.08585	9.7
132.05710	3.3
133.10156	6.7
135.04402	3.5
135.08035	12.8
135.11691	6.9
137.04590	7.9
137.06009	10.1
137.09657	4.2
138.05429	3.4
139.07555	3.3
143.08603	3.4
145.04974	5.3
145.06490	3.0
145.10138	8.2
146.05957	3.6
147.04402	2.7
147.08051	3.4
147.11678	4.0
149.05959	8.8
149.09569	4.1
149.13287	3.8
155.08125	4.7
159.08040	4.0
159.11688	16.4
160.07573	10.4
161.05969	3.9
161.09608	6.9
161.13268	3.1
163.11185	26.7
166.08664	3.1
167.07057	24.6
170.06029	4.9
177.05496	3.2
177.12767	58.2
179.10712	10.1
181.04883	3.8
187.11142	6.8
188.07077	10.4
191.07036	4.8
193.05023	4.1
201.05499	20.1
205.12256	100.0
206.08148	32.0
207.13867	4.7
222.02112	2.6
223.13298	91.8
226.15610	4.3
229.15504	3.7
231.06511	5.2
233.11523	3.1
253.12941	5.3
254.15083	6.5
269.09201	15.9
299.04102	3.2
353.10068	8.9
385.09579	12.3
385.14487	7.4
385.18387	4.4
385.22372	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	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.8
55.05510	5.0
56.05036	3.0
57.16888	2.3
60.44122	2.5
61.02927	4.7
63.45396	2.3
65.02306	2.3
67.05526	4.0
69.03432	4.2
69.45409	16.0
70.06598	49.8
72.08164	18.6
81.03432	3.5
81.07050	3.5
83.04978	2.8
83.06092	5.8
84.04496	5.0
84.08152	21.1
85.02908	9.6
86.09694	6.2
87.00845	2.7
87.04477	2.7
91.03977	2.6
91.05475	4.4
93.04502	3.4
95.04951	2.7
97.02881	5.4
98.21543	4.5
98.97698	2.8
103.05466	7.2
105.07047	5.0
107.04955	3.3
110.07169	33.4
112.08694	3.2
115.05492	5.0
115.75153	2.6
116.07108	2.9
117.07009	4.0
118.04195	4.3
119.03456	4.3
119.04949	2.8
129.10248	7.7
131.04945	27.0
133.06490	8.0
135.04332	3.3
136.07500	3.0
137.05928	3.3
141.07018	11.3
143.03377	4.2
143.04912	3.1
145.06512	3.6
146.03615	3.9
147.04436	3.7
157.02911	2.9
157.06499	6.7
159.04514	3.4
160.05251	4.6
161.05971	12.0
163.03918	2.6
167.07016	8.2
168.05759	2.5
169.06494	11.4
169.13376	4.4
171.04326	6.0
172.05154	3.8
175.03900	3.4
176.04633	6.4
177.05449	4.1
181.04959	3.8
185.06020	2.8
186.06813	5.6
187.03925	14.2
187.07477	6.0
189.01830	4.0
189.05537	11.3
190.06313	3.4
190.13368	3.5
191.07034	29.3
193.08681	3.6
196.05144	3.4
197.06050	12.0
197.12885	6.8
199.03897	4.4
200.04669	3.3
201.05479	3.8
201.09056	3.2
202.06320	2.4
203.07060	7.4
204.04189	11.4
205.08731	5.8
205.12239	6.9
206.05750	3.9
208.14516	9.8
211.07590	3.8
214.06198	4.5
215.07045	10.7
216.04219	2.8
216.16812	2.6
217.04956	9.1
217.08638	2.8
218.05684	4.8
219.06520	23.6
221.08180	7.4
223.13435	5.2
225.05476	4.6
226.15437	14.5
229.08607	9.3
231.06520	14.9
233.08102	3.3
235.05984	3.1
239.07108	3.1
243.06522	10.3
245.04515	7.3
245.08237	8.8
247.09659	8.6
249.07675	4.3
249.96486	2.4
257.08136	20.0
260.06854	26.8
262.04712	5.2
263.05588	3.9
272.12308	3.7
273.07541	5.5
275.09149	100.0
277.07129	16.9
284.67743	3.7
287.05499	9.0
291.08664	3.5
301.07129	7.1
310.48779	2.6
319.08124	16.2
337.09253	8.1
353.13644	4.2
355.10043	2.9
367.23419	14.1
385.14694	11.0
385.19592	3.5
385.24628	19.5
386.17706	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00390	0.8
53.03942	1.4
55.01869	4.8
56.96563	1.1
57.88282	0.9
61.02934	1.6
65.94373	0.9
67.05504	1.9
69.03411	1.1
70.06590	4.1
70.31203	2.8
72.62285	0.9
73.02938	1.1
78.04711	1.1
79.05507	5.1
83.01347	2.1
84.08141	3.1
85.02909	3.4
91.05491	4.9
95.01314	1.3
95.04956	3.5
97.02898	2.3
103.05456	7.6
105.07037	56.0
107.04954	3.1
109.02876	1.6
110.88598	1.0
115.03939	1.0
115.05457	14.2
117.07033	4.0
118.04167	3.9
119.04938	1.7
123.04475	5.0
125.02420	1.5
127.03918	2.0
129.07024	1.1
131.04967	5.5
132.05698	1.2
133.06500	52.4
140.04662	2.1
143.05006	1.6
143.06053	5.8
145.06505	5.7
146.03662	1.0
147.04413	2.2
151.03911	2.9
155.06000	2.2
155.07063	4.0
157.06470	2.0
160.05196	2.2
161.05991	100.0
163.03943	1.6
167.07054	28.6
169.04985	1.0
169.06404	1.3
171.04387	1.1
172.05197	2.0
173.06039	4.3
175.03951	2.3
175.06044	2.3
175.07498	2.2
177.05496	1.3
178.06360	1.2
179.07011	1.3
181.04912	1.8
183.06552	2.8
185.05937	1.3
186.03099	1.2
187.03838	1.5
187.07539	1.3
189.05504	2.6
190.06259	2.0
191.07034	2.8
192.07791	1.3
193.08618	66.1
194.08942	1.1
201.05513	4.5
203.07098	2.1
205.08653	6.9
207.06534	6.0
213.05467	1.2
215.07025	1.6
217.05075	1.8
217.08528	1.7
219.06538	6.2
221.08099	4.1
225.47415	1.0
229.04906	2.8
230.05821	1.2
231.06532	5.9
233.04440	7.7
233.08000	4.4
234.08749	1.4
235.06100	1.2
235.09705	3.1
243.06459	1.8
245.04329	1.3
245.07996	1.9
247.06003	2.7
249.07602	2.7
251.09145	27.7
253.07513	3.0
259.05978	1.4
260.06750	1.3
261.07602	13.8
263.09216	3.5
273.07587	1.7
275.09174	5.1
277.07077	2.6
279.08676	4.2
289.07150	2.9
291.08603	1.5
293.10162	4.6
301.06787	1.1
305.10184	2.7
307.08154	6.5
319.08069	1.7
321.09528	1.1
351.06512	1.0
367.10242	2.3
385.11353	1.3
385.25903	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	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76902	3.2
55.01875	6.4
55.05513	3.4
65.03957	3.6
67.05490	5.6
69.03424	5.4
70.06588	16.4
70.73437	10.2
72.08161	4.7
74.09734	4.8
75.07565	3.4
80.57384	3.0
81.03394	3.5
83.04988	4.2
84.08158	4.1
85.02916	10.9
87.62051	3.5
91.05493	6.9
93.07065	4.0
95.04987	4.4
99.04485	3.8
103.05506	6.4
105.07030	9.9
108.13159	3.2
115.05454	6.3
116.07085	3.9
118.04208	3.5
121.06554	3.4
123.04434	13.8
131.04910	26.0
133.06519	10.6
135.31151	3.6
139.03900	15.7
141.07036	9.4
145.06537	7.1
146.03618	5.0
147.04442	15.0
148.04810	6.0
155.07031	6.9
157.06494	9.0
158.07207	4.1
159.03075	3.6
159.04410	7.1
160.05211	6.1
161.06000	15.0
167.07083	13.0
169.06514	7.0
175.03958	6.0
175.07524	4.1
176.04744	5.1
177.05511	5.8
180.07890	8.7
181.04985	7.3
183.06525	17.2
185.05919	4.1
186.06694	4.0
187.03960	15.2
187.07553	6.3
189.01764	4.4
189.05553	11.0
190.05956	4.1
191.07002	29.1
192.07895	5.0
193.08672	7.4
195.04985	4.1
197.06007	8.4
201.03867	4.8
203.06934	5.4
204.04134	12.4
205.08676	5.4
207.06560	5.8
210.08965	5.0
215.07155	8.7
217.04977	9.7
217.08524	4.4
218.05829	6.2
219.06560	26.9
229.05063	3.9
229.08624	7.8
231.06776	6.0
233.08122	7.1
235.05997	6.1
243.06606	12.7
245.04549	11.8
245.08098	13.9
247.09659	10.9
249.07594	9.6
257.08267	16.8
260.06790	27.8
261.07495	5.7
262.04752	3.9
273.07507	6.3
275.09155	100.0
277.07019	20.8
287.05621	10.7
301.07047	10.9
319.08142	16.4
328.30530	3.7
337.09436	6.8
344.77551	3.9
355.10284	4.7
375.97769	3.4
385.25772	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	384.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.4
57.03425	6.6
61.02930	8.2
69.03436	9.4
70.06590	5.8
73.02921	10.3
85.02923	28.3
97.02879	15.5
98.97566	17.7
104.34558	3.3
109.02888	4.9
110.97587	5.1
116.98618	5.4
119.01850	4.9
127.03903	8.0
128.98653	6.4
131.01917	3.8
138.05525	6.3
139.44852	3.1
143.01912	11.4
144.02000	8.1
145.05009	5.4
155.01862	5.6
156.02071	5.0
158.99638	7.0
161.02934	4.8
162.03049	8.6
163.03932	27.5
170.99707	5.3
173.02983	10.3
174.03058	5.3
174.99118	4.9
177.00591	5.0
189.00740	6.0
191.03868	11.7
197.03050	3.8
200.04410	14.9
203.03961	4.5
204.04269	8.7
213.03412	9.6
213.05284	5.9
219.01872	7.2
222.03180	4.4
234.05266	3.8
238.14662	3.3
249.02827	4.3
263.06186	6.5
264.06287	14.0
272.06662	10.0
281.07077	9.8
282.05139	7.4
294.05609	4.9
384.08255	100.0
385.07327	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	384.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09236	0.8
53.56109	1.0
55.05517	1.5
57.03433	1.2
57.07085	5.7
65.03938	1.2
67.05509	14.6
69.03431	1.9
69.07081	1.4
70.06596	13.2
70.93951	1.4
70.94289	1.5
71.04985	1.8
71.06944	1.8
72.08156	3.9
79.05479	1.0
81.03418	1.0
81.07077	1.9
83.04954	1.3
83.08606	1.4
84.04507	2.7
84.08134	6.1
85.02904	3.5
85.06551	50.2
86.06077	1.6
86.09710	6.4
88.04023	0.9
88.11282	2.6
90.05554	1.1
91.05481	10.0
93.07053	3.1
95.04977	22.2
97.02894	1.2
102.05534	1.1
103.05491	4.8
105.07038	1.6
105.12215	0.9
106.07378	1.1
107.04966	4.9
109.06518	1.3
110.07190	5.7
113.06030	5.4
115.84293	0.9
116.07132	1.3
119.04952	44.0
120.05751	1.1
120.08100	7.2
121.06499	7.4
123.04436	82.5
124.12837	1.0
127.08701	1.3
129.10242	2.3
130.04994	1.4
130.06537	1.8
131.04951	1.6
131.06117	1.0
131.07092	1.6
133.05254	1.7
134.06078	1.4
135.06815	37.7
136.06210	1.4
137.05984	2.1
146.06004	9.2
147.04420	33.2
147.06863	1.5
148.04829	0.9
148.07584	37.7
151.07547	2.7
163.03973	2.6
165.05489	70.4
205.11816	1.0
207.08897	2.2
208.09692	14.8
223.06021	1.2
226.49310	1.0
229.12010	2.9
232.00734	1.5
232.13373	3.6
265.13177	4.1
276.16006	1.7
278.13919	10.7
292.15445	11.4
295.11795	11.7
324.14462	7.5
338.15997	100.0
384.16595	63.0
384.21292	5.2
385.16751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	7.1
55.01882	3.9
55.05510	13.8
57.07070	11.1
57.66647	2.6
59.04984	5.7
67.05509	25.3
67.91480	2.6
69.03428	15.5
69.07059	10.0
70.91460	4.8
71.05005	6.6
79.05493	30.2
81.07058	36.4
83.04977	10.8
83.08627	6.5
85.06547	6.2
89.36334	2.3
90.14655	2.7
91.05482	39.3
93.07044	95.7
95.04968	26.6
95.08614	35.5
97.06533	16.3
105.04502	3.4
105.07035	87.0
107.04960	3.9
107.08597	45.4
109.06522	23.2
109.10162	18.7
111.00611	2.4
111.08086	8.8
111.91335	2.5
115.05441	4.6
116.06259	4.3
117.07025	11.8
119.08587	50.8
120.09396	3.4
121.06463	12.4
121.10145	44.8
122.07271	3.3
123.08080	25.9
125.09594	4.2
128.06230	9.6
129.07036	15.3
130.07771	5.4
131.08569	35.8
133.06520	8.9
133.10136	38.5
135.08064	22.9
135.11719	6.0
137.05936	3.2
137.09622	9.2
141.07048	4.1
142.07771	20.3
143.08582	22.5
144.09364	5.4
145.10144	42.2
146.07249	4.1
147.08041	24.9
147.11699	16.2
148.08826	3.9
149.09610	21.8
151.07553	31.5
155.08473	3.7
155.10663	3.0
156.09349	9.1
157.10129	42.0
159.08081	9.1
159.11690	17.7
160.08833	4.2
161.09628	22.3
161.13257	7.5
163.11244	9.4
165.09114	26.9
169.10146	8.4
170.10918	7.4
171.11700	13.1
173.09630	11.8
173.13309	9.5
175.00832	2.7
175.11211	24.8
175.14809	7.2
177.09126	12.8
179.08617	3.5
181.12309	4.9
182.10844	5.5
183.11700	7.7
185.09599	4.4
185.13271	15.9
187.11255	4.8
187.14777	4.9
189.12773	8.6
191.14362	6.0
194.10939	6.3
195.11667	4.4
197.13284	9.4
199.11153	3.9
199.14769	4.8
201.12764	10.1
203.14357	28.0
207.11865	4.5
207.13802	11.2
208.12570	3.3
209.13277	8.1
209.15381	7.5
209.73833	2.6
211.14880	5.8
213.12741	7.6
215.14265	14.0
216.15016	3.7
217.12372	3.4
219.13803	4.5
221.13297	2.8
221.15363	77.3
223.14772	4.0
227.14334	9.6
229.15808	3.4
233.15367	3.7
234.16208	12.9
239.14236	2.7
267.17371	3.1
274.19330	2.8
276.76389	2.5
281.19025	4.7
286.19272	6.0
287.20044	9.8
299.20151	7.2
303.19614	4.9
309.18506	3.9
347.23798	5.6
365.24808	15.8
383.25836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	4.4
55.01865	3.5
55.05503	12.7
57.07063	7.8
57.29416	2.6
59.04988	6.1
63.35884	2.9
67.05509	22.3
69.03428	10.9
69.07065	9.2
70.90914	3.3
70.91271	5.7
71.04980	6.8
79.05502	19.8
81.07057	28.7
83.04990	8.1
83.08613	3.9
85.06557	4.6
91.05486	47.3
93.07046	89.5
95.04967	23.7
95.08614	35.4
97.06528	16.3
105.04514	2.8
105.07037	73.9
107.08595	41.4
109.06515	25.1
109.10135	17.0
110.01926	2.7
111.08091	10.4
111.16353	2.4
113.09624	4.6
115.05426	3.5
117.07038	11.1
119.08591	53.4
120.09363	2.6
121.06506	16.3
121.10151	37.1
123.08064	23.1
128.06184	5.5
129.07040	12.9
130.07809	4.9
131.08577	31.2
133.06470	9.0
133.10127	29.1
135.08063	20.8
135.11673	4.8
137.09593	8.4
141.06995	4.4
142.07768	21.5
143.08577	21.6
144.09343	5.6
145.06476	4.6
145.10121	43.0
147.08052	23.6
147.11696	15.0
148.08832	3.8
149.09641	23.4
151.07559	37.8
153.09171	2.7
155.08595	7.6
156.09348	8.3
157.10127	46.7
159.08072	10.1
159.11703	15.8
161.09608	23.2
161.13251	10.4
163.11211	9.8
165.09106	27.9
169.10127	6.9
170.10880	4.4
171.11682	7.1
173.09633	11.0
173.11102	2.5
173.13271	9.5
175.11176	24.7
175.14862	8.1
177.09138	11.3
179.08615	2.8
181.10091	2.7
181.12321	3.6
182.10985	2.9
183.11742	6.8
185.13226	18.9
187.11160	10.0
187.14751	3.6
189.12766	11.2
191.14323	5.4
195.11772	3.9
196.09244	2.6
197.13269	5.3
199.11221	6.7
201.12772	5.4
203.14311	26.3
207.11829	4.7
207.13844	14.1
209.13359	5.0
209.15355	8.2
211.14908	4.0
213.12700	5.3
215.14342	9.1
219.13911	3.7
221.15369	78.6
225.16406	3.6
227.14285	9.1
231.13754	4.2
233.15387	6.7
234.16098	10.8
241.15773	3.4
243.13870	3.0
247.14807	2.4
249.16603	2.9
253.16008	3.8
261.58963	2.5
286.19431	5.6
287.20096	8.9
299.20059	3.4
303.19431	6.1
309.18460	6.4
312.17542	2.4
347.23532	5.6
365.24713	14.5
383.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01866	2.5
55.05511	16.9
57.03444	2.7
57.07081	17.1
59.05002	4.2
65.03951	4.6
67.05511	34.3
69.03428	19.0
69.07082	10.6
70.18334	8.0
70.18694	3.7
71.04991	6.0
75.03442	2.1
79.05502	29.3
81.03430	4.5
81.07073	34.6
83.04987	8.8
83.08632	5.4
85.06537	8.4
89.06039	3.2
91.05486	51.2
92.10162	2.1
93.07051	100.0
95.04981	24.9
95.08617	41.5
95.60433	2.2
97.06538	14.1
98.21445	2.2
103.05467	3.4
105.07042	82.8
107.04978	3.1
107.08604	40.8
109.06529	25.1
109.10166	22.3
111.08094	8.6
115.05472	5.3
116.06242	2.8
117.07012	13.1
119.08596	51.5
120.09367	3.5
121.06503	17.8
121.10160	55.0
123.08086	27.1
128.06253	9.3
129.07019	11.4
130.07829	4.7
131.08569	35.6
133.06494	11.3
133.10139	30.4
135.08043	25.3
135.11699	5.4
137.06015	3.7
137.09628	10.0
141.07001	5.0
142.07799	21.8
143.08566	24.4
144.09355	5.9
145.06519	3.6
145.10139	41.1
146.07329	2.5
147.08047	26.1
147.11708	17.5
148.08914	3.1
149.09636	33.0
150.10503	2.5
151.07559	32.2
153.09123	3.4
155.08560	8.2
156.09290	10.2
157.10139	37.5
158.10890	3.1
159.08089	9.7
159.11688	16.5
161.09659	23.7
161.13281	6.6
163.11259	6.0
165.07050	3.1
165.09132	41.7
167.08566	3.4
169.10190	8.8
170.10962	5.3
171.11748	8.1
173.09660	9.0
173.13319	8.2
175.11186	18.5
175.14825	6.5
177.09088	12.5
177.12842	2.8
178.09935	4.6
181.10219	2.7
181.12285	3.1
182.10934	3.2
183.11755	6.4
185.09653	6.4
185.13286	17.6
187.11166	7.2
187.14810	2.7
189.12750	10.7
191.14349	4.0
194.10963	2.4
195.11707	6.4
197.13286	4.2
199.11200	4.0
199.14806	6.0
201.12827	12.5
203.14336	30.3
207.11877	4.8
207.13838	13.4
208.12514	2.9
209.13255	8.3
209.15439	6.8
213.12831	4.7
215.14423	7.3
216.15108	2.8
219.13843	8.3
221.13448	4.0
221.15387	91.8
225.12804	4.9
225.16461	3.2
227.14334	7.1
231.13757	4.8
233.15405	6.7
234.14146	2.5
234.16179	13.7
239.17844	2.8
241.15871	3.5
243.13930	3.8
255.17395	3.7
263.18036	3.4
271.15347	3.0
281.19125	2.6
286.19345	5.4
287.20062	8.0
299.20178	5.5
301.20193	2.1
303.19623	10.7
309.18445	3.9
347.23764	4.3
365.24924	12.0
383.25833	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47702	1.8
53.03947	4.2
55.01869	3.2
55.05513	16.2
57.03431	2.8
57.07070	9.1
59.04996	6.3
65.03941	1.8
65.92377	1.6
67.05509	31.1
69.03432	12.4
69.07056	5.6
69.53571	12.0
71.04985	7.3
79.05499	29.7
81.07067	34.9
83.04974	5.7
83.08649	5.4
85.06545	5.2
85.99133	1.9
91.05491	43.9
93.07050	94.4
95.04975	24.4
95.08615	36.9
97.06541	17.2
99.08144	2.3
103.05503	2.0
105.07039	72.5
107.04910	2.0
107.08603	48.9
109.06529	22.2
109.10171	23.3
111.08076	10.6
115.05466	4.7
116.06272	2.9
117.07032	13.4
119.04932	2.0
119.08589	59.9
120.09340	3.4
121.06513	17.5
121.10151	43.3
123.08076	33.4
123.42616	1.7
125.06014	1.8
125.09608	2.8
128.06200	8.4
129.07004	13.4
130.07785	4.8
131.08586	26.4
133.06493	9.5
133.10133	32.4
135.08046	23.4
135.11697	5.9
137.05922	2.6
137.09622	9.9
139.63737	1.6
141.06993	5.7
142.07776	21.7
143.08571	19.7
144.09335	5.0
145.06474	2.5
145.10132	40.9
146.07277	2.4
147.08057	23.8
147.11717	15.0
148.08838	2.5
149.09642	24.1
151.07555	39.8
153.06993	1.6
153.09148	3.7
155.08601	9.6
156.09335	9.2
157.10146	42.1
158.07288	2.2
159.08083	11.5
159.11693	14.1
160.08862	3.4
160.12393	1.8
161.09636	20.5
161.13295	5.6
163.11185	7.2
165.09122	35.5
167.08565	4.5
169.10156	8.5
170.10941	5.8
171.08105	3.4
171.11726	10.2
173.09622	10.0
173.11981	2.0
173.13264	10.2
175.11194	20.8
175.14853	6.3
177.09074	9.3
178.09785	2.0
179.08560	2.4
179.10603	2.1
181.10153	4.5
181.12300	2.5
182.10898	2.7
183.11723	6.2
185.09650	3.5
185.13264	24.3
187.11240	6.5
187.14857	3.0
189.12689	12.0
191.10701	2.8
191.14348	4.4
193.10262	2.7
194.10939	2.4
195.11761	6.0
197.13289	7.6
199.11206	5.0
199.14764	4.3
200.11928	1.9
201.12817	5.6
203.14325	32.9
207.11839	3.2
207.13744	13.3
209.13310	6.7
209.15440	7.3
211.14873	4.5
213.12694	4.8
215.14296	9.1
219.13893	4.6
221.13191	4.1
221.15376	80.5
223.14890	2.2
225.12717	2.2
225.16454	2.6
227.14352	6.2
229.12262	2.0
231.13918	3.0
233.15446	7.1
234.16106	10.4
237.14787	2.6
239.14493	2.5
243.13774	5.0
255.17632	2.3
263.18002	3.1
267.17474	2.3
269.19022	2.6
271.17020	3.4
274.19263	3.6
281.19016	2.7
285.18448	2.9
286.19376	7.8
287.20132	9.3
299.19998	8.6
303.19586	7.3
309.18500	3.6
329.22409	1.8
347.23889	2.8
365.24713	14.5
383.25851	100.0
384.26663	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04565	2.1
53.03947	4.6
55.01865	3.5
55.05520	17.0
57.07061	9.5
59.04984	8.1
65.03934	4.4
65.53334	2.2
67.05182	3.0
67.05508	37.3
67.31074	1.9
69.03433	11.9
69.07066	10.5
69.85449	7.2
69.85865	3.8
71.04979	6.9
77.03889	2.2
79.05501	30.9
81.07068	38.7
83.04972	7.0
83.08644	5.4
85.06544	5.7
91.05488	46.4
93.07051	100.0
93.84502	2.0
95.04980	27.5
95.08612	41.5
97.06516	15.8
103.05464	2.5
105.04491	3.3
105.07039	82.0
107.04983	4.4
107.08598	45.9
108.05725	2.4
109.06532	24.3
109.10169	38.9
111.08076	11.4
115.05447	4.5
115.94496	2.2
116.06208	4.2
117.07030	13.9
119.08585	57.0
120.09415	2.7
121.06522	14.6
121.10159	43.4
122.07292	2.6
123.08075	27.4
125.09605	3.2
128.06203	8.3
129.07024	15.0
130.07788	8.2
131.08594	27.1
133.06477	7.2
133.10146	34.7
135.08066	25.0
135.11705	8.3
137.05960	3.1
137.09639	11.3
141.06970	4.7
142.07803	22.5
143.08580	27.4
144.09363	4.2
145.06491	4.2
145.09097	3.8
145.10149	39.8
146.07248	4.3
147.08060	25.2
147.11716	19.5
149.09631	22.1
151.07553	36.6
153.09132	3.5
155.08525	10.5
156.09332	6.9
157.10143	40.1
158.07300	2.6
159.08055	8.9
159.11684	21.1
161.09636	18.1
161.13274	6.5
163.11160	6.9
165.09129	40.6
167.07043	2.9
167.08548	3.6
169.10083	8.5
170.10913	5.4
171.11681	9.9
173.09576	10.2
173.13300	8.0
175.11214	21.3
175.14796	6.4
177.09117	9.3
179.08534	3.8
181.10143	2.5
181.12250	2.8
182.10951	3.5
183.11710	7.5
185.09659	5.3
185.13313	16.2
186.99512	2.0
187.11108	6.7
187.14758	3.2
189.12791	11.9
191.14174	2.4
191.40001	2.1
193.10213	3.0
195.11707	4.8
197.13251	10.0
199.11127	3.6
199.14804	4.3
201.12762	7.7
203.14317	26.5
207.11809	4.9
207.13799	10.4
209.13203	7.4
209.15240	3.7
211.11320	3.4
211.14821	3.8
213.12773	4.8
215.14363	12.1
216.15024	2.9
219.13788	5.1
221.13405	3.8
221.15373	85.4
223.32581	2.4
225.12654	4.0
225.16339	3.0
227.14288	10.0
229.15915	2.2
231.13852	2.7
233.15448	6.1
234.16139	10.0
243.13937	3.3
249.16278	3.1
269.18881	2.8
271.17050	2.6
281.19019	4.5
286.19189	8.3
287.20065	8.4
299.20123	6.0
303.19446	9.6
309.18454	4.8
327.19284	3.0
347.23740	3.0
365.24808	14.0
383.20395	12.3
383.25717	84.4
389.68658	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37263	1.6
52.44865	1.8
53.03944	5.9
53.94081	2.1
55.01878	14.8
55.05519	47.4
57.03449	18.6
57.07071	3.0
59.05011	2.1
65.03954	4.0
67.05513	69.3
69.03439	10.7
69.06726	2.7
69.07076	33.7
69.53778	11.5
70.06591	2.2
70.95841	1.9
71.04990	5.3
71.08640	2.5
72.00673	1.5
72.93790	6.8
73.02947	2.3
75.69944	1.6
79.05505	56.2
80.30923	1.6
81.03436	16.0
81.07068	100.0
83.04990	18.0
83.08631	25.4
84.08154	2.0
85.02907	7.1
85.06560	4.7
90.94844	3.7
91.05492	33.9
93.07056	45.4
95.04995	18.2
95.08058	1.7
95.08616	35.4
97.02875	4.4
97.06544	13.0
97.10183	38.7
99.04461	4.5
99.08098	6.5
102.94805	2.4
105.07043	29.1
107.04964	10.9
107.08607	38.1
109.06515	10.5
109.10175	29.5
111.04450	17.8
111.08087	9.7
111.11707	2.3
117.07034	13.8
119.08603	30.3
121.06560	8.7
121.10161	20.6
123.08076	41.6
123.11704	4.7
125.09641	41.6
126.98377	1.9
127.08789	1.6
128.06216	3.2
129.07018	5.6
131.08582	17.7
133.06500	3.0
133.10126	15.7
135.08063	7.7
135.11707	15.9
137.09613	10.0
138.98466	1.7
141.07089	1.6
142.07713	1.7
143.08659	8.5
143.10709	3.5
145.06535	1.7
145.10126	22.7
146.05957	2.4
147.08080	6.8
147.11729	14.3
149.09663	8.9
149.13278	5.3
149.26022	1.9
151.11179	3.5
153.09129	6.2
153.12737	7.9
155.08525	2.1
157.10133	6.7
159.08096	2.8
159.11697	12.1
161.09663	4.5
161.13268	7.2
163.11208	19.0
165.00095	2.3
165.09132	6.7
165.12740	2.7
169.10184	2.0
171.10271	2.1
171.11732	4.4
173.09653	4.5
173.11800	3.7
173.13243	5.3
175.11206	5.5
175.14856	2.4
177.12781	4.1
180.23714	1.6
181.12253	10.2
183.11766	2.1
185.13268	3.6
187.11235	2.5
188.07137	2.2
189.11243	47.8
191.10686	11.4
193.12210	12.0
196.17021	3.3
201.03615	2.6
201.16364	2.2
203.17932	4.7
209.11726	3.5
211.13387	2.2
223.13316	4.0
227.12814	18.9
227.17906	5.3
229.05177	2.7
229.14323	2.3
245.04880	2.7
245.13855	1.9
245.19067	3.0
251.51570	1.7
255.17393	2.6
255.21205	13.2
263.20111	4.8
267.06833	32.8
273.18536	24.5
283.15421	2.0
283.24258	4.1
285.07794	13.9
291.19589	56.0
308.09595	4.7
309.20554	3.8
347.13159	6.5
347.22183	2.9
365.13956	5.8
365.23422	14.4
365.32016	7.5
383.15366	8.8
383.23978	40.3
383.27905	7.6
383.33105	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65189	1.7
53.03948	5.0
55.01873	13.6
55.05515	45.9
57.03437	23.2
57.07062	1.6
59.04993	3.5
64.46926	1.9
65.03950	4.3
67.05511	61.4
69.03432	8.2
69.06734	2.5
69.07077	31.7
69.20180	14.7
70.06574	2.3
71.05004	8.1
72.08149	1.7
73.02913	1.9
74.40292	1.7
79.05496	57.8
81.03423	18.8
81.07062	100.0
83.04990	19.1
83.08622	22.1
85.02899	6.0
85.06540	4.9
91.05489	33.4
93.07054	43.9
94.06625	1.5
95.04973	18.9
95.08611	34.6
97.02888	6.0
97.06537	14.4
97.10178	29.8
99.04448	4.1
99.08096	12.6
105.07035	27.3
107.04955	11.3
107.08591	34.6
109.06528	10.6
109.10163	21.6
110.09702	1.8
111.04431	14.6
111.08077	11.4
113.06045	2.3
115.05426	2.2
115.07571	3.4
117.07040	10.1
119.04954	1.6
119.08597	24.6
120.08126	1.8
121.06523	11.3
121.10150	20.9
123.08077	41.2
123.11731	2.9
124.06573	2.1
125.05998	3.0
125.08770	3.0
125.09640	39.8
126.01086	2.4
127.07588	3.0
128.06248	3.3
129.07025	4.7
130.02304	1.8
130.07732	1.8
131.08575	18.2
133.06517	3.5
133.10144	13.8
135.08051	13.4
135.11684	14.6
137.09657	9.4
139.11209	2.3
142.07808	2.1
143.08571	4.8
143.10643	2.6
145.10130	20.0
147.08035	7.8
147.11668	10.3
149.09639	8.3
149.13248	5.0
151.11160	2.7
153.09087	6.7
153.12794	10.0
155.08527	2.0
157.10165	11.3
157.11284	2.1
159.08043	2.6
159.10489	2.2
159.11636	9.9
161.09619	7.1
161.13271	3.0
163.03899	2.4
163.11223	19.3
165.09143	10.7
171.10220	3.9
171.11693	5.9
173.08304	2.3
173.09589	3.9
173.13280	3.5
175.11238	6.1
177.09241	2.0
177.12708	2.8
179.10663	1.6
181.12228	9.9
185.13356	2.0
187.11209	2.2
189.11232	41.2
189.12723	2.3
191.10670	10.6
192.07930	2.0
193.12233	9.4
195.11722	2.2
199.14864	3.6
201.12744	2.2
201.16431	2.0
203.14363	2.6
205.12308	2.0
209.11661	3.5
211.13380	5.2
217.15837	3.3
221.15372	2.3
223.13274	4.8
227.12784	15.1
227.17892	3.9
231.13770	2.0
237.16469	3.0
245.19057	3.3
249.14955	3.8
255.17508	4.6
255.21114	2.4
263.20123	3.7
273.18512	25.2
286.27979	1.8
291.19559	60.9
309.20697	4.4
337.10559	2.1
343.80325	1.8
347.22220	3.4
347.42874	2.0
351.08389	2.1
365.23288	14.6
365.31879	2.4
383.14746	8.8
383.24350	35.0
383.28119	2.3
383.32321	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59083	0.5
53.03935	0.8
53.93355	0.6
55.01878	0.7
55.05513	3.3
56.05030	1.2
57.03436	1.5
60.20744	0.6
61.02908	0.8
67.05499	5.2
68.05009	1.2
69.07074	3.6
69.41071	4.5
70.06582	1.2
71.04966	0.8
73.55930	0.6
79.05489	4.8
80.05005	1.3
81.03379	1.5
81.07058	8.7
82.06564	0.9
83.08606	1.7
84.08137	0.9
85.02892	0.7
89.43777	0.6
91.05466	5.0
93.07055	7.4
95.04988	1.2
95.08607	6.2
96.08107	1.0
97.02875	1.8
97.06528	1.3
98.20745	0.8
99.08088	2.6
104.61208	0.6
104.77635	0.6
105.07047	3.9
107.08595	4.9
108.08100	2.1
109.06527	1.4
109.10153	3.4
110.09692	3.7
111.04465	0.7
111.08093	0.8
114.05549	3.9
115.05405	0.9
116.07094	1.4
117.05710	0.7
117.07021	2.8
118.06547	29.4
118.50634	0.7
119.08525	3.4
121.06547	0.6
121.10162	3.5
122.09682	1.9
123.08120	1.0
123.10401	1.1
123.11705	1.9
124.11263	1.3
125.09650	0.9
129.07092	0.9
130.06526	8.3
131.08546	1.7
132.08054	0.9
133.10153	4.0
135.11661	4.4
137.05962	3.7
137.13281	0.7
138.05489	0.8
142.06531	3.1
143.07278	2.8
143.08467	1.2
144.08089	17.2
145.10129	2.5
146.06017	77.4
147.06502	0.7
147.11707	1.8
149.02292	0.6
149.13246	1.6
150.12759	4.9
151.11206	0.9
152.14345	87.2
153.12761	0.6
153.14590	0.9
154.15912	1.8
155.16670	0.7
156.10207	1.0
157.10146	1.8
159.11655	2.1
160.07605	1.3
161.13239	1.5
161.80257	0.6
163.03902	0.8
164.14420	1.5
165.07918	1.3
170.05998	6.2
173.13284	1.5
175.14772	0.9
178.15929	1.6
184.11267	1.2
184.13414	0.7
188.07074	54.8
189.07454	0.7
193.04977	1.7
194.05295	0.9
196.16971	49.5
199.14832	0.6
201.16409	0.8
203.14397	0.7
203.17790	0.8
208.13397	3.6
210.14885	12.2
213.16464	0.9
215.08124	0.8
247.33498	0.7
249.14851	1.5
252.15948	1.6
254.17514	8.8
255.21173	1.6
258.32031	0.7
259.08606	1.4
267.15726	0.7
268.09726	0.9
290.90668	0.7
291.19388	0.9
313.56433	0.7
335.64258	0.8
339.20685	42.5
340.20926	0.9
365.22238	0.6
365.32028	1.5
373.67047	0.7
383.23297	100.0
383.26868	3.8
383.32849	7.6
384.23358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24207	0.5
53.03942	0.8
55.01862	5.8
55.05512	6.2
56.96571	0.6
57.03446	3.5
57.07082	0.8
59.04996	0.9
63.08852	0.5
67.05509	13.6
69.07080	6.0
71.04976	1.5
77.55318	0.5
79.05497	6.8
81.07060	27.2
83.04993	2.7
83.08610	3.3
85.06541	0.9
91.05486	6.1
93.07059	5.7
95.04963	1.1
95.08607	7.2
97.02886	0.7
97.06531	2.2
105.07027	4.6
107.08607	5.7
109.06532	12.2
109.10163	8.3
111.03719	1.1
111.04447	16.3
111.05221	0.9
111.08112	1.9
113.06010	0.9
117.07091	0.9
119.08598	5.7
121.10144	4.1
123.08046	2.6
123.11685	1.3
125.06004	7.6
125.09641	0.7
131.08603	3.1
133.10121	4.7
135.08084	2.9
135.11697	4.0
137.05986	100.0
137.09560	1.5
137.13243	2.1
139.07576	1.1
143.08589	1.3
145.10139	2.6
147.08046	1.7
147.11682	7.1
149.09659	4.5
149.13286	1.5
151.07532	2.6
151.11127	1.3
154.10803	0.6
154.65836	0.7
155.10634	0.7
157.10152	1.8
159.11710	1.5
161.09650	6.2
161.13306	2.3
163.11172	3.4
163.14815	0.8
165.09074	2.3
165.12756	1.1
167.10732	1.3
168.06699	0.6
171.11754	1.0
173.11769	1.6
173.13179	1.1
175.11162	4.7
175.14821	2.2
177.09052	0.8
179.10703	1.9
181.12296	1.2
186.09903	0.5
189.12856	1.3
193.12247	2.3
203.18005	6.3
205.19656	0.9
213.16371	3.2
221.18999	2.1
231.17456	8.2
241.15900	1.6
249.18507	12.2
276.03485	0.7
277.18005	82.1
278.18115	0.7
295.19058	11.6
351.21710	6.9
383.24356	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	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
53.11843	0.7
55.01872	1.1
55.05519	4.3
57.03429	1.7
57.07077	1.1
67.05505	7.6
68.05016	1.0
69.03443	1.2
69.07069	7.6
70.06598	0.8
71.04986	0.7
71.08630	1.2
79.05501	7.3
80.05016	3.1
81.03406	1.5
81.07061	29.6
83.04987	1.4
83.08610	2.8
85.02908	1.7
85.06528	1.4
86.06049	0.7
86.09725	0.8
91.05480	8.0
93.07046	10.6
95.04966	2.1
95.08619	10.6
96.08132	1.2
97.02896	2.1
97.06533	2.0
97.10169	1.7
98.06059	7.8
99.08099	18.9
105.07043	9.0
105.15050	0.7
107.04982	1.2
107.08605	10.3
108.08111	1.9
109.06512	1.5
109.10168	8.6
110.09679	2.8
111.94929	0.8
114.05538	3.6
115.05495	0.8
117.07027	3.6
118.05704	1.5
118.06551	24.1
119.08590	5.8
121.10168	6.6
122.09676	1.4
123.08075	0.9
123.10405	1.1
123.11703	2.3
125.06029	1.0
125.09678	1.2
127.11211	0.9
128.06221	0.8
129.07008	2.2
130.06555	7.6
130.07455	1.2
131.08571	3.8
133.10143	8.0
135.08073	1.0
135.11699	5.1
136.11247	0.9
137.09627	1.3
137.13307	1.0
138.05519	2.0
142.06532	2.4
142.07645	0.8
143.07411	1.3
143.08578	2.5
144.08093	17.2
145.10123	8.3
146.06021	73.4
147.06364	0.8
147.11696	6.5
149.09595	0.9
149.13292	2.8
150.12769	3.6
151.11198	2.0
152.14349	68.6
156.08105	1.0
157.10103	3.6
159.11697	5.5
161.09703	1.0
161.13264	4.6
163.11192	0.9
164.14386	1.6
165.07901	1.8
166.08565	0.8
169.10201	1.0
170.06013	4.7
171.11716	1.9
173.09679	1.1
173.13271	3.1
175.11142	1.1
175.14862	3.1
177.12714	1.3
178.15941	2.8
184.11247	1.6
185.13231	1.9
187.14861	3.2
188.07082	56.1
188.24557	0.6
190.35518	0.8
196.16980	34.9
197.13261	1.1
199.14806	1.8
201.16364	1.2
203.18022	1.0
205.12282	0.8
208.13341	2.6
210.14890	8.2
211.14790	0.9
213.16376	2.2
227.17995	2.0
229.19673	0.8
237.16440	0.9
239.18079	1.5
241.09792	0.8
245.18904	0.9
253.19618	1.5
254.17516	9.4
255.21118	4.6
257.22653	2.2
267.08893	1.2
267.11371	2.0
268.90475	0.7
280.82428	0.9
281.22787	0.9
285.25647	1.1
291.19534	1.0
323.09305	0.8
335.64526	1.1
339.20709	27.2
351.08896	0.9
365.32013	8.8
383.23322	100.0
383.33029	23.8
384.23492	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01864	0.9
55.05508	3.3
56.05042	1.2
57.03442	1.3
57.07068	0.7
57.39008	0.7
67.05515	4.5
68.05038	0.9
69.03426	2.6
69.07065	3.1
70.06588	2.0
71.04991	1.2
75.40858	0.6
78.24567	0.6
79.05506	4.2
80.05021	1.3
81.03442	1.0
81.07077	5.6
82.06571	0.8
83.04987	1.2
83.08606	1.1
84.08139	0.8
85.02904	1.7
85.62075	0.7
86.06079	1.7
88.03972	1.2
91.05475	3.9
93.07059	6.3
94.06546	0.8
95.04963	1.7
95.08621	4.3
96.08131	1.5
97.02893	2.5
97.06526	1.8
97.10187	0.7
98.06059	1.5
98.09695	1.7
100.11283	0.9
105.07047	4.1
107.04926	1.1
107.08580	6.4
108.08131	2.0
109.06514	1.0
109.08911	1.1
109.10171	4.0
110.09682	3.6
111.08102	0.9
114.05544	7.9
115.05441	1.8
116.07087	3.4
117.07017	3.1
118.06548	23.5
119.04912	0.8
119.08585	4.3
121.10126	3.3
122.09657	1.5
123.08109	1.1
123.10444	0.8
123.11711	1.9
124.11256	1.3
129.06999	1.0
130.06534	11.2
131.08543	2.0
133.06494	0.9
133.10162	3.5
135.08101	0.8
135.11708	3.2
137.02351	1.1
137.05937	0.8
138.05524	1.8
142.06552	2.6
143.07298	2.5
143.08482	1.3
144.08095	14.9
145.10124	2.6
146.06021	67.0
147.08047	1.7
147.11725	2.1
148.08852	1.0
149.09656	1.7
150.12799	2.7
152.14352	84.4
154.15936	1.9
156.10225	0.9
157.10150	1.0
159.11697	2.0
161.09691	1.9
161.13257	2.2
163.11229	1.3
164.14317	1.4
165.07869	1.8
170.05965	4.3
171.11687	1.2
177.05609	1.1
184.11252	1.5
188.07079	50.5
189.12743	1.9
196.16975	44.4
203.14272	1.5
203.17984	4.8
207.13832	1.9
208.13387	2.8
210.14894	13.8
210.18469	0.7
249.14870	1.1
252.16202	1.0
254.17526	16.6
291.09839	0.7
339.20712	31.7
351.08792	1.2
355.08115	1.5
383.07870	3.3
383.23325	100.0
384.23718	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05060	0.2
54.98652	0.4
56.96300	0.4
56.96568	6.2
65.27506	0.3
70.03677	0.8
70.04090	0.5
71.95265	2.4
98.97589	100.0
105.03362	0.4
116.98625	44.9
117.98911	0.3
134.99669	10.9
140.00200	1.3
153.00703	0.8
158.01248	0.4
173.93666	0.2
174.97649	0.3
189.00320	0.5
198.97746	0.2
207.01372	0.8
216.98753	1.4
217.98802	0.4
225.96327	0.2
234.99785	1.7
235.99927	0.5
240.98668	4.9
241.62283	0.2
256.96902	0.3
257.05878	0.2
257.96820	0.3
258.99777	69.7
259.99969	1.6
261.03015	0.4
274.97711	0.9
275.97873	0.6
277.00830	72.9
278.01077	1.7
279.01111	0.5
282.01270	1.3
282.99957	1.4
292.98630	0.3
295.01801	0.5
298.97955	0.5
299.97888	1.4
300.02267	1.9
301.00995	1.8
302.01245	0.3
312.58951	0.2
316.98895	0.9
317.98859	1.8
340.99048	0.3
341.98907	1.0
359.00131	0.4
360.00070	2.1
362.04868	0.6
371.00464	0.3
378.17700	0.9
382.99933	2.6
383.99869	0.2
401.01016	7.6
401.06506	0.5
402.01227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59846	1.8
56.15028	1.4
56.58660	1.4
56.96560	1.6
57.03423	4.6
60.70165	1.6
61.02920	3.2
69.03433	9.0
70.02939	1.5
70.29376	6.5
71.04980	2.3
72.04038	1.5
73.02901	3.9
74.02428	2.2
81.03416	5.8
85.02907	27.2
94.06561	2.1
97.02907	9.7
98.21427	1.6
98.97588	3.2
99.04438	2.2
109.02884	4.7
118.06540	6.3
120.08143	1.5
127.03858	4.5
130.06523	60.2
132.04451	17.2
132.08095	4.1
142.06480	2.5
143.07259	2.9
144.06946	2.7
144.08061	21.7
145.04982	2.2
145.07603	16.7
146.06053	10.0
148.07542	4.0
154.06537	4.0
156.08012	3.2
157.07610	58.2
158.06018	46.1
159.09163	8.3
160.07610	3.9
169.07613	5.5
170.06013	2.4
170.08455	2.0
171.09216	7.3
172.07576	9.2
173.10744	2.1
174.05501	6.9
175.08673	56.4
176.07094	3.2
181.07581	4.1
182.08427	2.5
183.09181	15.4
184.07558	4.8
185.07118	11.6
186.05496	3.8
186.07893	2.9
187.08704	2.7
188.07004	1.8
199.08690	8.6
200.07088	14.5
203.08154	100.0
204.06580	4.0
209.07037	7.1
215.08173	2.1
216.08965	3.7
217.09727	28.8
221.09193	45.1
227.08131	13.2
228.06531	3.7
231.07655	6.0
245.09247	19.7
257.09229	1.8
263.10281	45.8
299.10147	6.6
311.10312	3.1
329.11279	2.9
330.09305	2.1
347.12259	10.1
348.10782	12.7
365.09189	2.1
365.13486	34.6
374.26068	1.7
383.14432	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	383.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05524	1.7
56.05039	1.6
56.96566	6.8
57.03442	2.5
61.02924	2.8
67.05494	1.7
69.03426	8.4
70.06590	13.3
70.98135	1.7
71.05009	1.6
71.51060	1.7
72.08163	2.1
73.02910	2.8
74.02456	1.6
81.03391	2.0
81.07038	1.4
82.06572	1.6
84.04472	2.2
84.08142	15.9
85.02917	18.6
87.04471	4.2
88.03938	1.8
88.11290	2.1
89.11678	1.5
90.05555	5.2
91.03970	1.4
91.05492	1.5
95.92308	1.2
97.02917	7.6
98.06097	1.6
98.97600	9.8
99.34961	1.3
101.24973	1.2
102.05550	3.8
105.07028	2.6
107.04956	4.2
109.02852	2.0
110.07146	3.6
110.97559	2.1
111.14749	1.5
115.03917	2.0
115.05466	1.9
116.07094	1.5
116.98640	4.5
119.01790	1.8
119.04935	1.4
120.08119	11.0
121.06564	3.5
121.08423	6.2
123.04425	1.4
127.03905	3.8
128.98589	3.5
129.10265	1.9
130.06482	6.6
130.08640	4.6
131.04953	3.7
131.08595	2.3
132.04491	2.2
132.08069	2.4
133.05067	1.9
133.06525	6.3
135.04401	2.5
137.05965	1.6
143.08594	1.8
144.08014	1.4
145.02859	1.3
145.04965	3.3
145.06490	3.6
145.07590	1.8
146.06021	3.2
146.99683	2.0
147.03313	3.0
147.04373	1.5
148.07584	5.9
149.06010	7.1
155.04640	3.8
157.07657	4.2
157.10095	4.5
158.06062	7.3
159.08063	9.0
159.11700	4.0
160.07626	9.7
161.06003	2.9
161.09610	4.9
162.05521	8.7
163.03937	8.0
163.07529	4.4
166.08672	3.5
167.08757	3.3
170.07272	5.1
171.07991	1.8
172.07591	1.5
173.09631	3.8
174.05573	1.5
174.09175	3.2
175.08717	6.5
175.09911	1.6
175.11197	5.6
176.10774	4.0
177.00700	2.2
177.09087	3.3
185.09633	31.5
186.05598	6.6
186.12790	5.6
187.11180	4.6
188.10707	2.1
189.04213	2.3
189.09103	8.5
189.11511	1.6
190.12288	1.7
200.07037	2.1
200.10713	3.5
201.11502	13.6
202.12288	26.7
203.08154	6.1
203.10703	5.4
204.06580	16.4
204.13858	3.3
207.09077	2.0
213.09091	2.4
213.12350	2.4
214.12256	7.3
216.03210	1.3
216.13867	2.2
217.09705	2.0
219.01726	6.9
220.09828	1.8
220.13315	15.3
221.09216	21.3
231.10175	14.0
233.16649	2.1
235.05232	1.4
237.00748	2.2
237.02899	6.1
245.09221	2.1
248.12872	12.1
249.64314	1.6
257.09021	1.6
262.14426	4.2
263.10373	4.2
266.13803	6.5
267.02115	2.0
274.14407	10.4
279.17050	1.7
291.07681	3.2
291.17017	19.7
292.15488	2.9
293.07669	1.6
294.13464	3.3
302.08530	3.4
309.08560	6.5
320.15070	5.1
323.16101	3.5
337.17603	100.0
340.79938	1.3
347.12610	1.6
365.13528	1.9
383.07626	2.6
383.18182	89.9
384.18439	2.3
402.72995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1723
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
56.05028	0.8
57.03431	0.8
59.66141	0.5
60.04538	2.6
61.02916	1.1
67.05508	1.2
69.03419	2.4
70.06596	2.9
71.15848	1.2
72.08144	0.8
74.06091	0.8
81.03408	1.6
84.04501	2.1
84.08161	1.2
85.02911	4.1
86.09705	1.4
87.04465	1.0
91.05441	0.7
93.07095	0.6
97.02890	2.2
98.97559	0.6
102.05530	0.8
104.07123	0.9
109.02896	0.5
110.07142	0.5
119.03584	0.9
120.08095	6.8
121.08422	0.5
126.05522	1.2
127.03890	0.8
136.06195	100.0
137.04597	0.8
148.06165	1.2
159.06627	1.6
166.08675	2.9
167.10713	0.7
175.09856	1.2
185.08258	7.6
185.11768	1.0
189.08855	0.6
202.10875	8.2
207.11241	0.7
217.08144	1.8
219.82664	0.6
220.11948	90.3
221.12297	1.5
235.10826	1.0
291.17798	0.6
309.22116	0.5
345.08710	0.5
364.14978	0.6
382.17242	63.5
383.17422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
53.59706	1.2
53.66635	0.9
54.88033	1.1
55.01868	6.5
55.05511	3.0
56.96567	1.2
57.03453	5.4
57.07069	1.8
59.04998	1.6
61.02927	7.8
67.05518	2.6
68.99780	2.1
69.03435	39.0
69.07063	1.8
69.97942	4.0
71.04987	3.2
72.20815	1.1
73.02930	6.7
73.31313	1.2
79.05500	1.5
81.03429	24.1
81.07060	2.7
82.06588	1.2
83.04959	1.6
83.08602	2.2
84.04489	3.6
85.02911	100.0
87.00835	41.5
91.03944	2.4
93.07050	2.6
95.05028	1.4
96.27029	1.1
97.02299	2.5
97.02902	34.3
98.21487	2.3
99.04451	15.7
100.11252	5.6
101.02339	1.8
103.03957	1.3
105.01876	75.5
105.07045	3.3
105.51981	1.1
107.08588	2.3
108.28120	1.1
109.02888	30.0
109.10152	1.4
117.01846	2.7
118.06566	2.9
119.08609	1.3
121.06518	1.3
121.10145	2.0
122.85063	1.1
127.03924	71.7
129.01859	4.4
130.07722	1.2
138.05544	2.5
144.08110	1.4
145.04970	33.6
145.10071	1.3
146.06030	3.2
147.02931	2.3
149.02342	5.6
152.14346	5.9
156.13844	4.4
159.02901	15.0
182.15457	3.2
184.13391	1.5
188.07072	4.5
189.04015	2.7
191.10625	1.2
193.04974	10.5
196.16985	3.4
210.14937	4.1
213.03969	3.7
231.05037	22.4
241.07431	2.5
248.07999	1.4
249.06064	7.2
259.08566	4.9
267.09100	4.2
317.12708	1.7
335.14447	2.3
339.20551	2.2
382.22220	4.7
382.30505	6.1
383.23508	5.4
383.27594	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	381.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
54.43960	3.7
55.05507	11.0
57.03434	19.7
61.02923	7.9
63.86201	4.0
67.05517	29.7
67.05822	6.3
69.03438	63.4
69.07057	7.8
71.01342	10.6
71.04983	8.2
72.79667	4.1
73.02917	8.4
73.26868	3.9
76.91161	4.3
79.05483	20.0
79.11861	4.6
81.03429	66.8
81.07070	32.9
83.04988	6.3
84.08167	4.9
85.02915	100.0
85.07830	4.9
87.00834	37.7
91.05478	6.2
93.07043	12.0
95.04970	6.7
95.08606	10.3
97.02886	35.0
98.20686	6.2
99.04452	16.6
105.01873	48.5
105.07028	11.9
107.08582	9.9
109.02895	28.5
109.10176	13.1
115.03905	5.7
117.07050	5.1
119.08617	8.7
121.10203	4.3
125.02367	6.3
127.03941	64.1
131.08580	7.1
143.03384	5.2
143.08664	6.3
145.04967	17.7
145.10178	7.7
147.02927	6.5
147.11688	6.3
157.10143	7.5
159.02966	5.7
159.11719	6.1
174.48943	4.8
189.03969	6.9
206.04982	5.0
223.06068	38.8
231.05014	17.5
241.07063	5.3
241.36290	4.8
325.49042	4.4
327.07034	13.9
380.31647	10.6
381.22852	7.8
381.31464	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	381.3152
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
50.36461	0.4
53.03942	0.9
54.35237	0.4
55.01874	0.5
55.05275	0.7
55.05516	9.7
57.03450	4.2
57.07079	0.9
57.86120	0.5
63.13658	0.4
65.03945	0.9
65.15604	0.4
65.80681	0.4
67.05509	10.1
69.03424	0.9
69.07069	6.3
69.58939	0.4
69.70940	0.7
69.71331	1.3
71.04990	0.6
71.08607	0.6
78.86247	0.4
79.05495	8.7
81.07059	45.7
81.55936	0.4
83.04985	1.6
83.08623	5.4
85.06541	2.8
91.05482	4.6
93.07043	9.3
95.04976	2.3
95.08611	14.2
97.06541	2.3
97.10171	1.6
99.08099	32.8
105.07039	10.2
107.07875	0.9
107.08599	12.8
109.06518	0.7
109.10166	11.0
111.08091	0.8
111.11775	0.5
113.09649	1.8
117.07029	2.7
119.08593	10.3
119.42519	0.4
121.06519	1.0
121.10149	7.3
123.11685	2.7
125.09630	12.2
127.11201	1.2
128.06244	0.5
129.07027	1.5
130.07744	0.8
131.08582	6.9
133.06480	0.6
133.10139	7.5
135.08089	0.8
135.11696	5.6
137.13260	0.7
139.11188	1.0
142.07739	0.9
143.08556	5.4
144.09421	0.5
145.10136	14.7
147.08061	0.5
147.11681	5.6
149.09532	0.7
149.13243	5.6
151.11179	1.5
155.08597	0.8
156.09375	0.6
157.10143	6.8
159.11705	11.3
161.09621	0.8
161.13258	5.3
163.11142	2.1
163.14845	3.6
165.12744	1.3
169.10152	1.8
171.11717	4.5
173.09637	0.5
173.13274	6.0
175.11171	1.0
175.14870	2.2
177.12732	1.9
177.16411	0.5
179.14334	1.1
183.11713	2.3
185.13274	4.4
187.14850	3.1
189.12794	1.0
189.16383	2.4
191.14383	2.3
195.11630	0.8
197.13289	3.8
199.14836	4.3
201.16405	2.9
203.14360	1.3
203.17926	2.2
205.15996	0.6
209.13141	0.5
211.14876	2.8
213.13017	0.5
213.16365	3.7
215.17955	1.4
217.15858	3.2
217.19495	1.5
219.17493	1.2
219.82648	0.5
221.13364	0.4
223.14822	1.0
225.16422	2.2
227.17999	2.2
229.19540	0.5
231.17455	1.2
231.21117	0.7
239.17934	1.9
241.19492	1.0
243.17310	0.5
243.21022	0.5
245.19043	0.9
251.17975	0.6
253.19504	7.7
255.21086	30.1
257.22763	0.6
265.19580	0.7
267.21017	2.5
269.22595	2.0
271.20547	3.5
273.22061	0.8
279.21014	1.1
281.22644	3.6
283.24255	4.4
293.22748	0.8
295.24139	1.3
299.23746	1.1
307.24332	2.2
321.25793	1.4
323.27365	1.3
363.30441	4.8
381.31528	100.0
382.31882	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73843	0.5
53.03946	1.3
55.01877	1.6
55.05532	0.8
57.03426	1.1
58.40348	0.5
61.02932	0.7
69.03434	4.2
70.06586	1.6
70.40844	1.3
70.41245	1.1
71.04990	0.9
73.02922	1.4
79.05495	3.0
81.03419	5.1
83.08600	0.7
85.02915	6.3
85.17480	0.6
87.00828	3.0
91.05487	0.7
97.02919	4.1
98.97625	0.8
99.04462	1.6
105.01889	1.7
105.03406	2.5
106.06567	9.0
107.08600	0.6
109.02864	3.5
109.93462	0.6
111.04443	0.7
118.06536	1.5
120.08160	1.0
127.03927	5.6
130.06525	1.6
132.04491	1.6
133.05251	4.1
134.06029	100.0
135.06297	1.0
136.06148	0.6
140.48166	0.6
145.04970	2.1
146.06017	5.9
148.07663	1.1
156.70018	0.5
158.06033	1.3
159.02940	2.1
176.07092	2.1
188.07108	1.6
192.92805	0.6
196.07578	1.2
200.07117	1.0
214.08640	0.8
224.07120	2.5
230.78079	0.6
231.04964	0.9
242.08142	2.8
296.11392	0.8
320.10971	0.7
346.09262	1.9
364.10236	1.2
382.05811	1.9
382.11273	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27632	2.4
55.05525	13.2
57.07066	8.7
58.23674	3.1
67.05507	22.8
69.07072	27.4
69.86823	14.5
71.04973	4.4
73.26881	2.4
79.05495	16.5
81.07059	100.0
81.07537	5.4
83.04968	2.7
83.08607	12.9
85.06538	10.6
91.05475	6.0
93.07040	32.7
95.08611	58.9
97.06524	6.9
97.10182	4.6
99.08101	3.0
100.69862	2.9
105.07034	11.2
107.08585	27.6
109.06490	4.0
109.10165	36.7
111.08105	14.8
111.11689	4.6
119.08574	10.1
121.10136	20.0
123.11713	62.1
125.09592	3.8
127.11214	4.1
133.10130	9.8
135.11674	15.6
137.13234	19.8
139.11229	5.0
140.91690	2.3
141.12790	3.6
147.11708	14.7
149.13281	20.2
151.11209	9.5
153.12756	6.8
155.14265	3.8
159.11737	3.1
162.07806	2.4
163.14813	5.2
165.12733	15.9
167.14264	3.4
169.12291	6.0
171.13870	3.5
175.14780	3.1
177.16278	3.2
183.13815	5.3
187.13292	4.5
189.16434	3.2
203.17924	2.6
271.24142	5.0
277.25266	10.3
289.25229	20.0
295.26532	3.4
307.26331	26.5
325.27399	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	379.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97197	2.7
54.69754	2.9
55.01870	6.0
55.05511	16.1
55.95253	3.0
57.07067	4.1
59.05005	2.7
65.03934	3.6
67.05511	25.6
69.03438	5.3
69.07072	39.4
69.69472	6.3
69.69883	10.4
71.05000	3.9
72.08150	9.4
73.90013	2.9
79.05501	27.1
81.07060	100.0
83.08611	14.6
84.08157	3.9
85.06551	20.8
86.09685	9.3
91.05487	12.5
93.07048	52.7
94.07412	3.8
95.04951	3.1
95.08612	67.3
97.06526	10.7
97.10163	7.5
98.21599	3.4
99.08080	10.6
105.07028	25.0
107.08597	47.7
107.49628	2.9
108.08935	3.3
109.06514	4.6
109.10149	53.3
111.08089	18.8
111.11732	4.6
117.07036	4.1
119.08592	18.9
120.08087	8.0
121.08466	4.8
121.10159	43.8
122.10468	5.4
123.11712	32.0
125.09650	5.3
131.08563	3.9
133.10133	13.8
135.11707	38.6
137.09634	4.0
137.13254	12.8
139.11189	9.7
145.10114	9.5
147.11693	11.3
148.66722	3.0
149.13280	34.4
151.07668	3.4
153.12689	15.1
159.11687	5.9
161.13222	8.2
163.11223	3.8
163.14795	11.9
164.11511	9.3
165.12776	3.6
167.14346	6.3
169.08664	5.1
170.08916	4.7
171.89873	2.9
173.13225	4.2
175.14816	10.6
177.16412	4.5
179.14333	3.4
187.14867	3.5
189.16414	8.6
191.17964	6.3
193.15862	4.2
201.16289	3.4
203.18015	6.2
210.12039	4.1
211.16983	5.6
215.18028	5.1
220.15353	5.0
227.12692	3.6
228.13222	7.3
233.18942	4.1
259.24139	3.4
268.09048	6.3
271.24274	14.5
277.25305	6.9
289.25247	20.5
295.26532	4.3
307.26355	35.9
325.27255	5.9
326.13342	4.9
384.71808	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15701	2.2
69.75048	3.7
69.75462	8.4
81.67882	2.0
104.85957	2.1
108.09641	2.1
118.21903	2.2
130.98624	1.9
195.52055	2.0
365.69424	2.2
381.07941	100.0
402.93149	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76452	2.4
51.85088	2.3
53.03954	2.7
54.48940	2.9
55.01873	5.9
55.05510	16.7
57.03418	3.3
57.07069	6.5
59.05004	3.0
67.05511	22.8
69.03442	3.7
69.07072	35.2
70.06580	2.9
70.07417	2.3
70.96178	5.3
71.04974	6.5
72.08153	5.2
76.03715	2.2
79.05498	22.1
81.03418	3.0
81.07058	100.0
82.07378	3.4
83.04965	3.2
83.08604	12.4
84.08128	6.4
85.02891	2.8
85.06547	13.9
86.09701	9.6
91.05481	10.4
93.07042	45.1
94.07375	4.7
95.04968	3.1
95.08613	58.5
97.06546	12.4
97.10168	6.5
99.08106	8.6
105.07005	18.7
107.05005	3.0
107.08604	54.8
108.08936	3.7
109.06544	5.1
109.10160	55.6
111.08098	12.0
111.11722	4.2
119.08603	20.0
120.08089	7.5
121.06502	2.8
121.08424	4.9
121.10152	36.9
122.10509	3.1
123.11714	31.8
123.18584	2.5
125.09598	4.4
127.11192	3.2
129.10228	4.7
131.08607	3.7
133.10147	10.9
135.11699	34.6
137.06033	2.7
137.13277	9.7
139.11174	12.0
145.10132	6.2
146.10515	3.5
147.11690	11.1
149.13281	30.2
151.14888	3.4
153.12735	11.2
157.80521	2.7
159.11705	8.2
161.13263	11.8
163.11256	3.6
163.14819	14.2
164.11552	9.1
167.14305	3.8
169.08540	3.1
169.12177	3.2
173.13281	4.3
175.14835	15.9
177.16382	7.6
181.12302	3.6
182.12585	4.6
189.16374	5.8
191.17987	6.5
192.11018	3.5
193.15941	5.4
203.17979	2.9
207.17368	4.9
211.16847	2.8
215.18008	4.7
219.11441	2.5
227.12714	6.6
228.13152	9.3
233.18835	3.1
245.22771	3.2
261.46545	3.0
268.08926	5.2
271.24243	10.9
277.25201	7.0
289.25278	25.0
295.26428	4.0
307.26285	24.6
316.19559	3.3
325.27386	4.9
326.13177	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	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05513	0.6
55.68828	0.4
56.05012	0.7
67.05495	0.9
69.07069	1.5
70.02945	0.7
70.06589	2.2
70.35845	1.1
70.36196	1.5
72.08157	3.2
75.15765	0.5
79.05483	0.7
81.07047	1.2
83.04966	0.9
84.04513	1.8
84.08150	5.3
85.02917	0.7
86.09710	5.5
88.03989	1.3
91.05490	10.4
93.25388	0.5
95.08622	1.3
102.05527	0.6
105.07044	0.9
121.50371	0.6
127.03934	0.6
129.10260	3.7
136.07567	2.0
150.07841	0.8
152.05728	4.0
157.03374	0.6
157.10014	0.7
169.08638	0.8
170.08992	1.1
175.01445	0.5
180.06454	0.6
208.29140	0.6
211.18289	0.5
227.05267	1.3
228.13181	1.1
228.31786	0.6
256.74500	0.6
271.04297	1.5
278.24890	0.5
288.51276	0.6
293.10022	2.4
296.93185	0.6
311.09985	1.0
317.09976	0.9
335.11011	24.0
347.12003	0.6
355.96326	0.5
379.10016	100.0
380.10382	2.4
380.19351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05513	10.2
57.03434	5.9
57.07062	1.4
64.77155	0.7
64.91473	0.6
67.05509	7.7
69.07073	7.9
69.97266	0.6
70.15968	2.4
71.08627	1.3
79.05498	10.4
81.07057	80.8
83.08598	3.0
85.06554	4.2
91.05490	4.5
93.07050	6.0
95.08615	9.4
97.06507	1.0
97.10160	0.7
99.08096	79.8
105.07034	8.1
107.08595	7.3
109.10176	6.8
113.09682	2.1
117.07024	2.2
119.08579	7.3
121.10149	6.2
123.11698	1.4
125.09636	6.6
127.11163	1.0
128.06226	0.8
129.07004	6.2
131.08553	6.0
133.10123	4.6
135.11708	3.5
141.06979	2.2
141.58986	0.6
142.07816	0.8
143.08565	12.5
145.10118	6.8
147.11699	7.2
149.13249	2.3
151.11131	0.8
153.12773	0.7
155.08549	5.1
157.10155	8.0
159.11700	12.9
161.13258	4.3
163.11186	1.0
165.06979	1.1
167.08594	1.9
168.09320	1.1
169.10136	6.2
171.11696	4.9
173.13321	3.4
175.14796	1.2
177.12781	1.8
179.08647	0.7
179.14313	3.7
181.10127	5.6
182.10945	1.5
183.11722	5.0
185.13287	9.2
187.14787	3.8
193.10133	1.7
195.11719	8.0
197.13277	11.2
199.14813	19.1
199.16614	1.2
201.16422	2.2
207.11649	1.6
208.12500	0.8
209.13264	7.6
210.13991	0.8
211.14821	7.3
213.16356	3.8
215.18007	1.2
217.15771	1.4
221.13271	2.7
222.14061	0.8
223.14804	9.5
223.68158	0.7
225.16298	5.4
227.17950	1.4
229.15871	0.9
235.14835	5.7
236.15462	1.1
237.16408	6.8
238.17204	0.8
239.17986	3.0
249.16406	5.6
250.17163	1.1
251.17976	15.1
252.18629	0.7
253.19511	24.0
254.19933	0.7
255.21036	0.9
257.18985	0.9
263.17969	3.4
264.18817	1.1
265.19592	4.6
267.21042	1.6
268.17267	0.7
269.18970	1.5
271.20746	0.8
277.19531	4.3
279.21060	5.3
281.22601	4.1
291.21097	7.1
292.22055	1.0
293.22696	2.7
293.76984	0.7
297.22028	1.6
305.22491	3.2
361.28830	5.1
379.29956	100.0
380.30392	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05044	0.7
56.96590	0.7
57.03423	0.8
61.02929	1.1
69.03417	1.4
70.06599	7.8
71.51289	0.6
71.51702	0.7
72.08160	3.1
81.03434	3.0
81.07045	0.6
84.04498	1.6
84.08140	2.8
85.02914	7.6
86.06065	1.2
86.09700	2.2
87.04404	0.6
91.05476	1.9
93.07043	0.5
94.04182	0.9
96.95384	0.5
97.02889	2.2
98.06049	0.7
98.97601	1.0
102.05573	0.7
109.02863	0.7
110.07180	0.7
116.07097	5.0
119.04957	1.1
120.08113	1.9
121.06483	0.7
122.02851	0.5
122.03654	1.9
127.03925	1.4
129.10222	0.8
136.07588	5.4
137.05984	100.0
138.06311	1.0
143.11816	1.0
145.04936	1.6
147.04417	0.8
151.07549	1.1
153.05528	1.5
163.03975	0.8
163.07550	1.6
167.07047	0.6
175.07513	0.5
181.08607	15.8
199.09633	1.1
227.17584	0.5
235.14476	1.8
243.10094	0.5
244.10651	1.4
255.91580	0.5
263.13879	0.8
289.10425	0.5
295.39783	0.6
314.03967	0.5
331.93234	0.5
378.09113	1.4
378.17133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70741	1.6
53.03951	4.4
55.01872	5.1
55.05516	100.0
57.07087	12.7
67.05519	17.6
69.07072	17.9
71.05022	2.7
71.08636	14.0
71.77943	1.5
79.05500	12.1
81.07063	28.6
83.04980	1.7
83.08627	53.8
85.06551	3.5
85.10192	8.5
89.06056	13.1
91.05492	8.5
93.07048	16.7
95.08623	14.5
97.06550	4.4
97.10130	2.2
98.20775	3.4
99.08109	6.2
105.07018	8.5
107.08630	10.9
109.10167	6.1
111.08025	2.1
115.07556	4.4
116.07129	4.2
119.08645	4.3
121.10166	16.2
123.11713	2.2
125.09611	9.4
131.08586	4.2
133.08611	7.8
133.10135	5.7
135.11729	10.8
145.10123	4.0
147.11728	10.0
149.13307	6.2
159.11751	3.0
161.13283	4.0
163.14857	3.4
171.11790	2.9
173.13237	2.8
175.14868	2.0
177.11391	1.7
189.12924	2.2
191.17917	1.8
195.12267	8.8
199.14984	2.1
259.20599	5.8
277.21603	31.3
292.51700	1.9
294.67319	1.9
295.22662	15.3
377.17630	1.9
377.31934	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	377.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	57.3
57.07068	32.3
60.12262	15.3
60.29393	14.1
67.05520	31.1
71.08617	36.7
79.05473	45.0
81.07049	59.9
83.08614	43.9
85.94837	17.4
86.09708	99.4
87.10047	36.2
89.06038	62.0
91.05491	24.2
93.07000	35.5
95.08604	31.2
105.07051	26.9
107.08574	24.3
109.06536	17.1
109.10175	22.4
119.08561	20.7
121.10072	21.3
133.08621	23.3
133.10150	20.0
135.11711	33.6
149.13243	15.8
179.14360	100.0
187.71017	17.1
195.12302	43.4
263.99338	17.3
277.21652	88.8
377.17725	21.9
377.32486	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01855	2.4
55.27681	2.1
56.05031	5.5
61.01165	3.0
61.02919	3.8
65.03912	2.1
67.05504	3.3
69.03416	6.4
69.07069	3.2
69.44988	4.7
69.45381	14.5
70.06575	9.0
71.04993	2.8
72.08162	4.9
78.99338	2.1
81.03413	6.0
84.04490	6.0
84.08150	5.6
85.02906	19.8
86.06046	8.2
86.09703	17.5
87.04462	5.6
93.07021	3.1
95.04955	21.5
95.08579	4.9
97.02881	3.2
98.05073	2.4
98.06043	6.8
98.20824	4.7
98.97525	2.7
104.05318	8.2
104.07077	3.7
116.07104	5.1
120.08082	2.7
121.02876	2.3
121.06547	3.6
123.04432	18.0
124.11250	3.7
125.02332	5.7
125.09584	2.2
130.34596	2.3
137.05949	3.4
138.08998	2.4
140.04692	93.5
145.04977	7.0
149.99095	2.3
155.07027	45.3
162.07457	2.6
162.27596	1.9
165.09084	3.5
169.13376	7.9
180.08746	4.7
181.04976	10.5
199.06041	100.0
217.13751	13.2
232.13329	2.3
238.47160	2.3
245.13162	5.1
260.62616	2.3
264.55286	2.4
265.08493	3.2
269.90015	2.3
316.17899	2.7
334.18579	2.5
360.20087	19.8
378.21390	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	377.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83517	5.4
55.05510	16.3
57.07071	14.0
60.81303	4.9
65.03924	7.9
67.05495	33.0
69.07077	44.9
70.17727	4.5
70.51440	4.6
72.80219	5.4
74.37254	5.3
79.05510	30.4
81.07058	60.7
83.04964	6.2
83.08637	11.8
85.10194	6.4
86.53571	5.7
89.06020	20.0
91.05495	54.4
92.05795	7.1
93.07055	72.9
95.04973	43.5
95.08602	66.8
97.06557	10.9
98.21198	9.2
104.23446	5.0
105.06404	8.2
105.07045	81.9
107.08587	36.9
109.06522	8.3
109.10183	30.4
117.07004	16.1
119.08598	100.0
121.06492	20.2
121.10168	42.6
123.11690	11.6
128.06245	6.8
129.07002	13.8
131.08559	19.9
133.08612	12.6
133.10139	39.9
135.11713	11.0
137.13235	9.1
138.30313	6.3
142.07761	20.2
143.08592	20.2
145.10155	47.9
147.11694	25.4
155.08595	8.8
156.09395	10.7
157.10155	47.6
159.08095	10.1
159.11696	37.7
161.09669	16.6
161.13257	11.6
169.10107	11.0
171.11716	18.2
173.13403	12.1
175.14832	15.0
177.16362	16.2
183.11819	11.9
185.13229	18.7
187.11151	9.9
189.16386	8.2
193.10123	5.7
195.12131	9.2
197.13252	10.6
199.11049	6.6
199.14836	6.9
203.17975	10.8
209.13274	9.7
209.74931	5.4
211.14790	6.4
223.14980	6.3
267.20944	7.2
325.49692	5.6
377.28220	18.5
377.35239	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	377.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10149	3.9
55.01855	4.6
55.05501	12.8
56.96541	3.5
61.01167	4.3
67.05508	36.7
69.03407	10.2
69.07081	24.6
69.71861	21.7
70.06589	22.7
71.04987	7.5
74.50201	4.4
79.05482	16.5
79.16931	3.5
81.03418	5.1
81.07066	72.4
83.08624	10.8
84.08146	5.2
85.02912	4.7
85.06538	11.1
91.05480	16.7
93.07042	23.2
95.08620	39.4
97.02865	6.9
97.06496	5.1
98.90421	4.3
105.07030	20.4
107.08607	23.7
109.06560	5.3
109.10169	100.0
111.08046	5.2
113.05976	5.4
117.07011	4.7
118.06902	5.3
119.08569	18.4
120.08114	5.1
121.10139	13.7
123.11710	32.2
125.09615	5.2
127.03908	5.4
127.11176	10.9
131.08577	11.0
133.10156	10.0
135.04337	4.2
135.11697	9.9
137.05942	9.2
137.09612	5.9
139.11215	5.6
143.08638	5.3
143.73279	3.9
145.10136	15.1
147.11717	8.5
151.14818	7.2
155.10651	12.8
156.95268	4.7
159.08217	4.6
159.11687	11.8
161.13202	9.6
163.11208	4.1
165.12810	4.0
169.10204	4.4
173.11823	5.7
175.11108	4.6
179.14180	4.7
189.09077	5.0
197.13216	4.8
229.13666	5.0
247.14735	8.4
293.24777	14.1
305.24902	22.1
310.08853	4.1
323.25800	10.3
331.88110	4.5
340.67490	4.2
346.82275	4.6
359.20013	6.1
377.20367	9.6
377.28415	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	377.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.05508	15.0
56.05028	2.9
57.03451	3.7
57.07075	3.4
57.54374	3.3
61.01161	6.7
64.42957	2.6
67.05508	40.8
69.03441	8.3
69.07075	24.5
70.06597	13.0
71.04993	6.4
71.52271	3.7
72.08133	3.6
79.05502	16.3
81.03445	5.8
81.07063	100.0
83.05000	6.7
83.08630	10.6
85.02905	3.6
85.06549	13.9
86.06082	8.2
86.09721	6.9
91.05479	15.5
93.07056	24.8
95.04985	6.9
95.08620	34.1
97.01938	2.9
97.02898	9.7
97.06538	9.7
99.08086	6.0
105.07027	15.3
107.08606	28.7
109.06532	8.7
109.10156	88.4
111.04433	3.5
111.08099	10.9
115.05816	3.5
117.07015	5.6
119.08616	17.5
120.04827	4.5
120.08102	6.5
121.06563	3.2
121.10143	23.9
123.11710	51.3
127.11201	4.9
131.04947	4.5
131.08565	5.8
133.10155	11.2
135.11697	11.4
136.06206	6.7
137.05986	6.2
137.09636	4.7
139.11221	3.4
141.07014	3.4
143.08629	4.2
145.06491	3.8
145.10135	7.6
147.11728	7.9
149.07472	11.4
149.09637	3.5
149.13316	5.9
149.58235	3.4
151.11209	6.1
153.12781	6.3
155.10710	5.2
159.08366	13.0
159.11691	5.2
161.13300	5.9
163.11182	5.6
165.12759	5.8
169.10130	5.3
169.12215	3.7
171.11745	2.8
173.05855	4.0
173.13223	4.0
176.14336	3.6
185.13200	3.5
186.06795	7.7
187.03932	5.9
197.09634	4.0
197.13274	4.2
201.05515	4.8
201.16476	3.3
215.10811	16.7
216.18604	3.1
229.13660	10.4
243.10197	47.1
247.14822	24.5
275.23883	4.6
287.23734	10.8
293.24768	6.3
305.24750	40.1
323.25946	20.8
359.19803	8.6
377.20306	7.2
377.28104	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	377.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75897	2.5
52.46881	2.7
56.96567	25.5
58.99851	4.5
61.02927	2.6
62.41079	2.4
70.15196	10.8
70.98116	9.9
70.99875	12.0
73.01436	3.4
84.08159	4.9
84.96004	3.3
85.02895	4.0
86.09679	3.5
89.00887	4.2
91.02454	3.7
93.02221	2.3
97.02914	4.2
98.97594	17.2
98.98971	2.3
101.00887	8.7
103.00627	2.6
110.97565	10.0
113.00879	7.2
115.02412	3.0
116.98639	3.9
117.04025	2.8
119.01940	13.7
121.01707	3.6
127.02391	4.3
128.98613	10.4
131.01912	26.4
133.03465	8.2
139.00671	4.0
140.98569	4.3
143.01912	4.4
145.03482	28.2
145.04619	2.9
145.05069	2.7
146.99646	7.5
147.01390	6.0
147.05051	16.4
149.02956	15.6
151.02682	7.1
154.93269	7.2
155.00215	3.0
156.99768	6.1
158.99643	10.5
159.01373	4.3
161.02927	5.4
163.04527	5.7
165.00752	3.4
165.02299	2.5
165.06100	11.6
167.03987	3.8
172.94330	7.1
173.01321	4.8
173.02931	16.2
175.00868	28.1
176.00882	5.0
177.00723	6.6
177.02406	12.1
179.00247	2.5
182.99696	3.1
189.00838	3.4
189.02446	10.5
190.98598	3.3
191.02362	5.2
191.03999	27.2
193.01915	4.7
194.94557	2.5
196.94380	9.3
199.00999	4.0
201.00687	6.3
201.02428	10.0
203.03987	4.7
205.00269	5.8
207.03664	2.4
209.05052	3.8
214.95418	32.4
217.01982	8.3
219.01787	7.6
219.03629	3.9
223.01195	3.7
229.01961	24.7
231.03473	18.1
232.96466	31.9
232.99818	4.0
235.03012	3.1
237.02792	6.0
239.00397	6.2
240.96898	3.5
244.96455	3.3
247.03162	22.3
249.04639	13.9
251.00848	3.8
256.96457	8.8
257.01453	100.0
257.82843	3.0
258.01669	3.9
268.96387	13.3
271.03079	4.6
274.97870	17.0
275.02548	67.8
285.00876	5.5
286.97534	26.0
289.04214	40.0
292.98663	2.8
293.03488	3.6
293.71609	2.6
297.06378	5.9
303.01636	4.4
304.98502	7.0
307.05344	33.3
316.98615	5.0
317.03723	46.4
334.99942	6.6
335.04565	50.2
353.00653	4.7
353.05969	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	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03940	1.3
55.01865	1.1
57.03202	0.6
57.03440	7.2
61.02928	3.2
69.03091	0.9
69.03432	12.6
70.75890	1.3
70.76254	1.2
71.01345	2.3
71.04988	3.0
72.38760	0.6
73.02908	2.7
75.04482	1.8
75.11127	0.6
81.03427	3.4
82.60661	0.6
84.08126	0.6
91.84560	0.6
99.04458	5.0
117.05514	1.1
126.72974	0.6
133.10286	0.6
145.07617	2.3
156.21831	0.7
165.29674	0.6
170.07178	0.9
172.08704	28.2
198.06648	7.9
200.08189	4.6
201.57130	0.6
208.59727	0.8
214.09766	0.9
216.07700	14.2
218.09315	0.9
243.08778	64.1
244.07109	1.4
359.13379	2.8
360.95114	0.7
377.14554	100.0
378.15024	1.9
390.37000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.3
55.01868	4.7
55.05501	11.2
55.53286	3.5
56.96568	4.7
57.03441	5.1
67.05507	13.0
69.03414	11.7
69.07091	7.1
70.06601	22.5
71.04987	3.7
71.51957	5.0
72.08148	11.1
79.05480	14.8
81.03423	37.4
81.07063	19.4
83.04965	10.6
83.08610	11.3
84.04511	82.1
84.08147	9.7
85.02901	29.8
85.04820	4.4
86.09721	15.7
87.04461	3.0
91.05473	14.3
93.07034	9.8
95.04965	13.0
95.08604	9.6
96.04475	7.9
97.02879	10.6
97.06524	3.4
97.10175	4.6
98.06046	5.5
98.09723	3.2
98.97598	9.9
99.04462	3.3
102.05550	26.0
105.07050	16.5
107.08594	15.5
110.97525	3.6
111.08076	7.2
116.07076	5.6
119.08571	14.1
120.08092	13.8
121.10142	4.1
128.98613	3.9
129.06996	5.2
129.10219	3.9
130.05011	61.0
131.08571	8.1
133.10158	19.3
134.04834	3.5
135.11693	12.0
136.07564	8.1
137.05986	22.9
137.09641	4.6
138.06319	4.5
145.04968	7.0
145.52522	3.3
147.07660	13.0
147.11656	8.3
148.04872	4.6
148.06053	85.8
149.09601	15.8
157.10197	4.7
161.09584	9.9
166.15868	3.5
167.07089	6.6
175.11136	7.2
179.10681	26.3
193.12259	26.6
197.11746	100.0
211.13315	89.3
212.13727	3.4
212.16406	6.1
242.08768	4.5
243.08795	6.2
250.14406	19.8
268.15466	8.3
314.15918	7.9
323.11536	4.1
358.18286	17.7
376.19064	3.8
377.14569	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	376.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65924	4.0
53.03934	7.3
55.01868	8.3
55.05510	12.1
56.05021	7.2
57.03402	4.5
58.99581	9.4
67.05514	31.8
69.03436	6.2
69.61795	8.4
69.62199	27.0
70.02950	5.0
70.06584	13.3
71.04982	20.8
72.08163	10.7
73.01117	8.9
74.00657	8.3
76.02222	10.2
76.63538	4.4
79.05493	37.7
80.04987	5.8
81.07049	79.3
82.06556	5.0
83.04996	9.2
84.04500	6.7
84.08147	14.0
85.01121	17.5
85.02917	14.4
85.06536	20.6
86.00639	8.9
86.09692	19.5
87.04465	6.4
88.03999	63.1
91.05479	64.3
93.07040	36.8
94.06582	9.6
95.04975	11.5
95.08615	6.9
97.01123	45.5
97.06522	8.6
99.02684	34.3
105.07030	62.8
105.59239	5.8
107.08601	18.4
109.06557	24.9
111.02674	9.2
115.05441	11.9
116.07101	12.8
117.07024	92.6
119.08562	71.7
120.08117	24.3
121.10139	8.2
122.02731	29.0
123.02699	7.8
125.04234	7.9
125.05957	5.1
127.02177	6.6
127.07551	17.5
128.05275	6.6
129.05489	5.3
129.06996	15.2
131.08560	68.4
132.01115	12.8
133.10095	25.2
135.08047	12.4
137.04204	19.3
137.05948	35.9
139.05746	11.3
141.07048	7.2
143.08614	11.2
145.03223	6.4
145.10121	17.1
147.02606	6.2
147.08040	18.8
149.04231	19.0
151.05762	25.0
153.07285	8.7
155.06990	6.6
155.08586	10.1
157.10100	33.1
159.08051	15.1
159.11667	52.1
161.09647	40.9
165.07346	8.4
165.09100	13.4
165.46611	4.9
171.11736	5.5
173.13274	13.6
174.05893	8.8
175.05760	11.3
177.09081	12.7
179.10664	26.7
183.11749	11.1
191.08826	7.4
193.06805	10.7
197.11752	14.6
201.12714	21.5
201.92445	4.9
204.51581	5.2
211.07903	10.0
217.12251	8.9
219.13805	91.9
220.16948	14.7
221.15324	6.0
222.17706	9.5
225.11279	5.8
233.09921	8.9
233.16457	6.3
235.11475	5.6
236.10959	5.7
237.14970	7.5
251.11050	28.1
253.12585	45.1
282.11688	9.4
283.10052	8.1
300.12646	66.7
322.14606	6.6
340.15817	100.0
358.16812	94.8
376.17957	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.05517	20.0
57.07082	2.8
57.25937	2.8
64.16014	2.3
65.03940	6.0
67.05504	33.5
68.56643	2.3
69.07066	10.1
77.03903	2.5
79.05502	36.6
81.07064	61.1
83.05003	5.0
83.08613	8.9
83.87614	3.2
91.04908	4.2
91.05487	68.8
93.07050	89.2
93.07643	4.7
95.04982	40.2
95.08613	45.1
95.88986	3.1
97.06551	11.2
103.05479	5.3
105.07034	100.0
107.08605	51.1
109.06509	13.5
109.10165	21.4
115.05453	6.7
116.06264	3.9
117.07014	20.9
119.08587	90.5
121.06489	21.7
121.10152	69.7
123.03970	2.8
123.08082	7.7
123.11751	3.9
128.06255	13.6
129.07025	14.9
130.07782	8.7
130.39975	2.4
131.08586	46.5
133.10130	46.1
135.11703	14.9
137.05981	41.1
138.06323	26.0
139.06494	11.1
141.07002	7.4
142.07788	19.0
143.08563	35.9
143.10645	2.6
144.09355	8.5
145.06480	4.3
145.10126	69.4
146.07256	3.1
147.08102	5.7
147.11711	21.9
151.07539	2.9
155.08560	12.9
156.09344	9.2
157.10136	47.0
158.10925	4.9
159.11713	33.2
161.09599	14.1
161.13208	3.8
163.11243	3.0
165.07063	4.4
167.08604	6.0
168.09363	5.0
169.10139	22.3
170.11005	3.6
171.11691	20.3
173.13277	18.6
175.11195	6.9
175.14830	11.8
179.08482	4.7
181.10117	10.3
182.11037	3.3
183.11652	13.6
185.13278	10.8
187.11256	6.5
187.14857	17.1
189.12543	3.0
193.10179	7.3
194.10864	3.4
195.11671	11.6
196.12567	4.3
197.13260	11.1
199.14822	7.2
201.12759	3.8
201.16443	4.2
207.11816	5.1
208.12564	2.4
209.13255	9.7
210.14082	3.8
211.14807	8.6
213.12897	3.9
213.16423	3.0
220.12416	2.7
220.50847	2.7
221.13249	6.5
222.14023	2.8
223.14880	5.5
225.16396	3.6
235.14804	4.1
237.16351	4.4
239.18080	2.6
253.15860	4.3
265.19510	3.1
275.20157	5.3
307.12299	6.4
307.20441	2.7
366.39670	2.9
375.26892	27.0
381.50449	3.1
386.80850	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03937	4.6
55.01887	5.5
55.05514	19.3
57.03440	8.8
57.07079	4.0
59.04985	2.4
61.02929	8.6
64.47090	1.2
65.03961	1.7
67.05179	1.9
67.05507	17.6
69.03436	32.2
69.07072	39.2
70.06597	1.6
70.76318	2.1
71.01347	1.2
71.04995	10.6
71.08641	1.2
71.74089	1.0
73.02920	5.3
75.58915	1.2
79.05505	6.7
79.48811	1.0
81.03421	15.1
81.07064	27.6
83.04983	9.0
83.08628	8.4
85.02909	72.7
85.06546	23.7
86.09731	1.2
87.04472	7.3
91.03956	5.0
91.05454	4.7
93.07048	13.5
95.04973	23.8
95.08613	40.0
97.02299	1.9
97.02897	29.6
97.03526	1.4
97.06544	10.7
97.10174	8.8
99.00849	1.6
99.04451	6.7
99.08099	21.5
105.07034	4.5
107.05019	1.1
107.08595	24.3
109.02890	8.1
109.06519	1.8
109.10162	17.7
111.08052	3.6
111.11723	6.4
113.05965	1.7
113.09656	7.9
115.03982	1.2
115.05474	1.7
117.07011	2.0
119.08559	3.0
121.10152	31.6
122.03606	1.1
123.04424	1.5
123.11719	10.5
124.07582	1.8
125.09647	6.7
125.13251	1.8
127.03915	17.1
127.11192	2.0
129.07053	1.7
129.12810	1.3
130.19334	1.1
131.04932	1.5
131.08591	2.0
133.10143	1.6
135.04393	1.2
135.11700	17.1
137.05966	11.1
137.09641	2.2
137.13260	20.3
138.06310	4.3
139.06509	2.5
139.11194	9.1
143.08591	1.8
145.04964	14.2
145.06117	1.3
145.06509	1.1
147.04413	2.3
147.07928	1.1
147.11667	1.7
149.09660	1.4
149.13260	6.1
150.98395	1.2
151.14836	4.9
153.12750	12.1
157.10161	1.4
159.11685	1.3
160.05197	1.9
161.06003	6.1
163.03915	2.2
163.11250	1.3
165.05498	3.1
165.06976	1.0
167.07178	2.0
167.08580	5.9
175.07600	2.2
177.16393	100.0
187.07512	1.5
189.05484	1.9
189.09093	8.7
195.08072	12.2
195.17465	40.1
198.06851	1.9
199.07591	2.6
209.04524	1.9
211.06021	1.7
211.13223	1.4
213.09131	10.9
213.18509	62.2
214.18886	1.4
215.07005	1.6
217.08614	1.2
219.17320	1.2
231.10158	1.7
241.08578	4.2
259.09674	11.9
273.14865	1.6
283.13467	1.3
301.14276	2.2
339.22177	1.2
357.09729	1.7
357.14465	1.0
357.19138	2.3
358.19012	1.2
375.10706	6.3
375.18103	3.6
375.23596	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16687	2.4
51.94935	2.3
53.03939	7.4
55.05517	23.5
57.03421	3.8
65.03955	4.4
65.35278	2.7
67.05192	3.4
67.05515	32.9
68.11977	2.6
69.07074	16.2
69.74928	5.8
69.75333	9.0
79.05501	33.3
81.03410	3.5
81.07060	54.0
83.04980	2.8
83.08607	11.1
91.05489	57.8
93.06485	5.3
93.07053	78.5
95.04977	35.8
95.08619	41.8
97.06515	7.8
103.05470	5.7
105.04521	5.2
105.07044	100.0
107.08609	39.5
109.06510	11.0
109.10157	28.1
115.05496	3.9
116.06213	4.2
117.06986	17.8
119.08591	76.0
121.06504	17.3
121.10148	67.5
123.08052	6.4
123.11618	5.7
128.06236	5.8
128.75754	2.7
129.07004	16.8
130.07825	6.4
131.08569	47.1
133.06458	3.3
133.10138	49.4
135.11700	14.1
137.05959	24.5
138.06299	16.8
139.06535	7.9
141.07027	5.3
142.07767	17.0
143.08574	27.0
144.09369	5.4
144.44861	2.9
145.09067	4.6
145.10136	60.0
147.08038	3.6
147.11694	26.1
149.13225	4.6
151.07611	4.5
155.08546	9.8
156.09338	6.7
157.10147	46.6
159.08049	4.4
159.11691	30.4
161.09622	9.0
161.13254	8.0
167.08575	5.5
168.09326	6.0
169.10143	13.5
171.11697	16.6
172.12398	2.6
173.13278	15.7
174.10594	2.4
175.11162	7.2
175.14839	11.1
179.08542	3.7
181.10149	7.0
182.10931	4.6
183.11670	12.6
185.13254	7.8
187.11154	5.9
187.14873	14.5
193.10078	4.6
195.11737	7.9
196.12469	3.3
197.13246	10.4
199.14865	5.7
201.16409	4.4
206.10922	4.6
207.11755	5.5
209.13359	5.9
210.13948	3.4
211.14795	5.8
213.16251	6.1
219.09952	2.7
221.13310	3.2
223.14859	5.0
227.14343	2.7
235.14876	5.8
239.18062	3.5
253.19603	2.9
265.19547	3.8
275.20160	4.7
301.25302	3.5
303.23206	13.1
357.28055	6.7
375.26395	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	375.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01863	0.9
55.05506	1.0
65.03941	5.5
67.05219	0.6
67.05507	5.6
69.03414	1.3
69.07075	1.0
69.68652	4.1
70.06583	1.1
71.04977	1.0
72.08167	1.5
73.02903	0.7
79.05481	1.8
81.03415	3.0
81.07057	1.6
83.08627	0.8
84.08182	1.1
85.02922	2.5
86.09711	2.2
91.05455	1.3
92.04478	0.6
92.04996	2.9
93.07034	2.2
94.06535	1.8
95.04973	14.1
95.07366	1.7
95.08595	1.3
96.08159	3.5
97.06524	3.0
99.00853	0.8
104.33731	0.6
105.06997	0.8
107.08546	0.8
108.08139	4.6
109.10120	0.9
110.09698	4.0
116.05020	1.8
117.07083	0.7
119.08571	1.1
120.04477	5.7
120.08138	3.6
121.10190	0.9
122.06030	2.7
123.04439	1.2
124.07568	1.4
127.03932	1.8
129.07060	1.3
131.30257	0.8
135.04420	1.1
136.07564	2.1
137.05989	3.5
138.06339	1.7
138.09123	5.6
139.06461	1.0
143.08594	0.9
144.04420	4.9
145.12256	1.3
148.03940	100.0
151.03944	1.3
152.06252	0.9
154.08643	1.0
157.10152	0.9
160.05135	1.1
161.05968	4.0
162.05508	2.7
163.03925	1.8
165.05457	2.1
166.05017	13.7
166.08652	15.5
167.07332	0.9
167.08553	4.3
171.08075	1.2
172.03946	18.0
173.05988	1.0
175.07542	1.1
184.10074	0.8
185.09589	1.1
189.05582	0.7
189.09122	6.8
190.05016	9.1
190.12056	0.7
195.08047	6.9
198.06786	0.9
199.07506	1.9
203.10648	1.1
204.06575	30.3
204.08513	1.6
209.04449	1.2
211.13268	1.0
213.09117	8.6
217.05051	1.0
217.08685	0.9
222.07632	1.5
223.07474	1.0
226.90344	0.7
227.11818	2.3
231.10225	2.6
241.08664	2.4
255.11319	13.3
259.09729	7.5
269.09222	1.5
273.12314	11.6
281.23175	0.7
283.10788	12.1
301.11844	72.4
315.09891	0.8
319.12875	2.0
325.11871	1.3
343.12933	20.3
347.10934	0.8
357.09796	1.4
375.11075	5.3
394.59540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01875	3.8
55.05521	0.7
57.03444	3.6
57.52671	0.6
61.02919	2.4
65.03933	2.3
68.99789	1.2
69.03434	15.8
69.07082	0.8
70.06590	0.8
70.56892	1.3
71.01367	0.7
71.04995	1.6
73.02913	3.8
75.28290	0.6
79.05487	1.1
81.03421	10.1
83.01381	0.6
84.04516	2.7
84.08118	0.9
85.02908	44.7
86.09710	12.4
86.53856	0.5
87.00831	20.4
87.02694	1.7
87.04424	0.6
91.05484	100.0
92.05817	1.4
93.07050	1.3
97.02892	16.5
97.62652	0.6
97.91309	0.6
98.21651	0.5
99.04461	7.2
102.05558	1.5
105.01869	30.9
105.07034	2.4
107.04977	0.9
108.04491	2.5
109.02891	13.1
115.03974	1.2
117.01886	0.6
117.07012	0.8
119.04929	0.6
126.05515	1.5
127.03923	35.7
128.04201	0.7
129.01846	1.6
129.06970	2.0
129.10194	0.7
130.06522	0.7
132.10213	3.2
133.06435	1.2
137.05980	8.1
138.06320	4.4
143.03481	1.0
143.08556	0.7
145.04974	17.0
145.06476	1.6
147.02890	1.7
151.07591	1.1
157.06464	1.0
159.02910	8.1
162.96436	0.5
171.08087	1.9
175.07544	1.7
177.09193	0.6
178.09541	0.9
189.03947	2.6
193.28729	0.6
195.06570	1.5
197.12891	1.6
199.07526	1.7
213.03983	1.9
215.13870	2.9
217.08611	1.7
230.06628	0.8
231.05022	10.7
243.13408	3.8
248.07640	2.2
249.06131	3.2
306.11862	0.7
321.09775	1.2
339.10675	1.3
356.18951	1.9
374.14163	1.0
374.18741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.91768	0.3
55.98250	0.3
56.05032	0.7
59.31943	0.3
59.45620	0.3
60.05632	0.4
61.01125	0.4
69.07064	0.9
70.06596	18.0
71.06928	2.1
71.51112	0.4
72.08160	1.7
79.05491	0.4
84.04511	4.0
84.08152	2.5
85.02901	0.5
86.09710	100.0
87.10049	1.0
91.05504	0.5
92.05853	0.3
93.07082	0.5
94.04198	1.1
95.04529	0.6
102.05558	1.8
105.07051	0.4
107.08619	0.5
110.07173	0.5
112.08744	0.4
116.07123	0.3
117.03727	0.3
118.06881	2.1
120.08120	0.4
121.06519	0.9
122.03681	2.5
122.06865	0.7
123.03992	0.9
125.07124	0.5
127.09793	0.3
129.10246	1.5
130.04991	2.0
136.03947	0.4
136.07634	0.6
137.05989	29.2
138.06316	16.4
145.06459	0.5
146.07236	1.1
147.04454	0.4
147.07677	0.6
148.04869	0.5
148.06065	9.8
149.06007	0.8
150.06429	0.3
151.07552	2.5
152.07872	1.6
156.07651	0.3
161.09235	0.3
162.01132	0.3
162.06619	0.4
177.05511	0.9
177.09059	1.8
178.05737	0.5
178.09431	1.6
185.10397	0.6
192.11067	0.3
195.06499	0.4
199.18071	32.1
199.60992	0.3
202.09508	0.5
203.45341	0.3
217.11935	0.7
225.17012	0.3
227.17549	20.7
237.11511	0.4
238.11670	0.7
261.14450	7.8
264.11270	0.5
271.12265	0.7
272.12503	0.5
275.10175	0.6
278.12408	0.4
291.09915	0.4
295.13379	0.3
296.13678	0.9
296.43655	0.3
300.14804	0.3
302.16904	0.4
305.11285	0.4
306.12003	4.2
307.12982	0.4
324.13162	1.1
338.14526	2.0
356.15778	1.4
374.16769	0.6
374.22955	0.9
374.28467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1057
Annotation	Eriostemin
Peak:m/z	Relative Intensity
56.05046	2.2
56.96560	5.7
69.57269	8.4
69.57677	4.8
70.06597	4.5
72.08163	3.6
84.04513	5.9
84.08154	7.5
85.02919	4.4
86.09713	10.8
98.97566	2.2
101.00885	8.3
102.05548	2.2
105.49852	2.1
115.02480	2.4
119.01936	6.4
126.98783	3.2
127.03883	2.9
129.10220	4.9
131.01898	3.5
132.81161	1.8
133.03482	5.2
135.04414	2.4
137.05962	6.8
138.06306	4.8
139.06627	2.5
143.01886	4.1
144.99829	5.0
147.11250	2.5
149.03038	2.6
156.90923	2.2
159.01361	4.0
161.02985	4.0
163.03944	6.8
168.99921	2.4
172.99257	4.1
173.02995	2.3
177.02460	2.8
187.00891	7.1
189.02472	2.2
194.92845	8.8
201.02502	3.3
205.01935	5.5
213.04248	3.3
215.00397	4.4
217.01945	4.3
219.03683	3.8
227.00436	4.1
229.01970	3.7
231.05487	3.2
245.01308	2.4
247.02939	4.3
254.99791	3.3
258.96036	7.5
273.00961	2.9
287.02533	3.4
315.02023	3.0
333.02988	2.3
374.97134	7.2
375.10556	100.0
375.22949	5.5
386.52350	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25945	1.0
55.01870	1.1
57.03436	2.6
65.03929	2.9
69.03089	1.4
69.03430	17.5
69.07067	4.5
70.06596	1.5
70.65913	2.4
70.95557	1.0
71.04980	3.7
79.05484	1.8
81.03419	11.7
81.07063	1.0
84.04501	11.5
84.08140	4.4
85.02907	21.0
85.06534	2.4
86.06092	1.1
86.09708	38.1
87.00829	13.1
87.10048	1.5
90.39919	0.9
91.05485	100.0
94.04169	1.5
97.02896	35.6
99.04462	10.1
102.05537	6.0
105.01874	9.9
109.02884	3.1
114.05527	1.1
116.10723	3.1
121.06448	1.2
122.03638	3.0
123.04005	2.0
127.03923	38.2
129.06627	3.8
132.10196	12.1
132.75729	1.3
137.05989	47.2
138.06319	24.5
140.34627	1.2
140.66432	1.1
145.04968	24.7
146.07217	1.1
150.06270	1.2
151.07542	4.0
152.07874	3.1
163.07080	1.1
170.11815	2.0
177.05397	1.2
177.09169	2.0
178.09465	3.2
186.59830	0.9
197.12894	6.9
212.12837	1.6
212.16452	1.1
213.03949	1.2
215.13898	11.2
225.12259	1.7
230.17587	4.8
231.05011	22.8
238.11580	1.9
243.13402	4.5
248.98560	1.0
249.06001	11.2
296.13666	2.0
306.12143	6.0
324.13089	1.2
338.14719	2.9
356.15683	2.4
374.16925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01880	3.9
56.06170	0.7
57.03441	2.9
61.02924	2.3
65.03944	2.1
68.99804	1.2
69.03435	14.9
70.86562	1.7
71.04984	1.5
73.02919	3.2
75.28705	0.7
81.03429	11.6
85.02912	43.7
86.09731	1.5
87.00836	19.6
91.05490	100.0
97.02901	14.8
99.04466	6.2
101.48390	0.7
103.03949	1.0
103.29839	0.8
105.01877	28.4
105.07051	1.4
108.04507	2.7
109.02893	13.6
112.98096	0.8
117.01865	0.8
117.07002	1.1
117.83000	0.8
127.02987	1.6
127.03928	31.1
129.01874	1.1
129.06973	1.6
132.10233	0.9
133.06516	1.4
137.06023	2.7
138.06337	2.1
143.08548	1.0
145.04982	16.8
145.06271	1.3
145.06516	1.1
147.02910	1.3
159.02922	7.0
164.35605	0.8
171.08043	1.1
175.07582	1.8
189.03966	2.3
195.06679	1.1
199.07562	1.6
213.03873	0.9
217.08662	1.6
230.06769	1.3
231.05017	9.7
248.07890	1.5
249.06087	2.4
321.09866	1.5
335.07639	0.9
339.10693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.7
57.03442	3.1
57.07076	3.0
64.95610	2.1
67.05502	9.8
69.03436	13.1
69.07088	11.6
70.06609	4.7
70.96155	6.1
71.04990	6.4
72.93777	4.4
74.94612	2.7
79.05497	9.0
81.03423	4.2
81.07068	14.8
83.04980	17.2
83.08626	5.9
84.04516	5.3
84.08141	2.2
85.02899	17.8
86.09708	6.8
90.22397	2.4
91.05482	10.5
93.07022	12.8
95.04974	13.2
95.08609	28.9
97.02887	5.5
97.06518	8.0
99.04451	5.2
99.08084	5.3
100.11233	3.1
105.07030	12.4
107.04974	3.5
107.08605	42.6
109.06528	10.1
109.10162	20.7
111.04467	3.1
111.08105	3.8
119.08600	7.0
121.06522	5.4
121.10136	43.2
123.08079	7.7
123.11684	5.8
124.49949	2.5
125.09627	18.8
127.03893	2.8
128.96306	2.4
131.08577	11.0
133.10143	39.4
135.08073	19.1
135.11696	7.9
137.06004	9.5
137.09613	11.9
139.11194	6.8
143.66734	2.3
145.04974	3.6
145.10155	6.6
147.11716	12.3
149.09651	14.4
149.13280	18.6
151.04008	3.0
151.07536	6.2
151.11179	90.4
153.09111	5.7
158.10922	3.8
163.14848	18.1
165.12756	9.8
167.07010	6.8
168.99570	2.9
173.13281	24.4
180.99464	2.5
188.37334	2.4
191.14317	100.0
192.07771	4.6
209.15364	83.1
209.17369	4.1
217.08594	3.0
227.03699	3.0
237.09163	3.3
255.03178	5.9
273.04172	40.3
278.09113	2.3
291.05283	6.0
325.10876	4.4
325.78586	2.4
327.14319	3.2
339.12845	2.6
353.14069	3.1
366.77783	2.8
371.13342	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	371.2068
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03957	8.1
55.01879	8.8
55.05511	31.9
55.11509	4.0
57.03433	10.0
57.07067	17.6
59.04994	3.7
59.18849	3.4
60.68597	3.5
61.02944	5.1
67.05505	13.7
69.03442	36.0
69.07075	31.7
70.06599	26.7
70.23912	7.8
70.24306	8.4
71.01370	3.5
71.05000	10.8
72.08163	6.7
79.05502	33.7
81.03425	14.8
81.04539	9.0
81.07066	100.0
83.04980	26.8
83.08627	71.0
84.08156	15.4
85.02914	39.1
85.06561	10.5
86.09721	19.6
88.03971	7.2
91.05431	17.1
93.07056	47.2
95.04993	19.5
95.06079	8.7
95.08591	22.3
97.02906	21.9
97.06548	16.2
99.04473	10.5
100.07610	3.8
103.05460	5.8
105.07039	28.5
107.04998	7.8
107.08609	51.0
109.02898	8.6
109.06528	62.0
109.10165	48.7
110.07187	4.5
111.04462	8.5
111.08094	23.4
115.05480	4.0
117.07040	4.5
119.08589	19.4
121.06511	13.2
121.10164	43.8
123.08079	8.8
123.11734	29.5
125.07124	12.5
125.09625	5.9
125.13261	8.5
127.03928	22.6
127.07578	5.2
128.07072	4.5
129.05528	6.0
129.07037	8.6
131.05003	5.7
131.08575	21.6
131.09399	3.8
133.10152	51.1
135.08054	27.4
135.11720	7.6
136.07530	4.0
137.06012	12.6
137.09586	9.0
139.07642	3.5
139.11172	3.7
143.08394	4.0
145.04993	7.2
145.10156	10.6
147.04468	6.9
147.11676	13.6
149.09630	70.4
149.13272	54.8
151.07590	8.0
151.11194	19.2
153.09132	17.3
157.06544	5.1
160.04305	4.5
161.06001	5.3
163.11162	4.4
163.14877	8.7
167.07082	10.7
167.14328	73.8
169.12263	8.5
171.10172	9.5
173.13246	32.2
177.05580	6.3
178.05432	3.5
181.04939	12.2
187.07607	6.8
187.14835	3.8
189.09189	6.8
189.12817	8.7
191.10663	5.9
191.14343	87.5
209.15399	50.7
210.14966	5.8
215.14276	5.9
217.08696	9.4
218.87155	3.5
227.16570	6.2
267.24841	3.6
277.08771	3.7
321.11444	4.4
353.13940	6.0
353.20166	11.6
362.65070	4.6
371.15359	17.9
371.21423	43.3
380.18024	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	372.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.3
56.96545	5.1
59.21830	3.5
69.60516	21.2
81.03417	5.1
85.02888	3.4
87.55497	4.2
88.91412	3.6
97.06532	9.9
104.35516	4.0
117.55375	3.4
119.08642	3.1
121.06564	4.1
122.03609	4.7
124.10780	3.2
137.05975	100.0
139.46101	3.2
151.07542	13.8
155.39842	3.3
177.09073	8.0
222.10083	3.3
238.48001	3.8
267.08905	5.2
283.08487	6.2
301.09726	4.0
305.11865	6.7
323.12479	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61233	0.3
53.03949	0.3
55.01860	0.4
55.05508	2.6
56.05038	0.9
66.04739	0.3
67.05505	1.0
69.03432	1.0
69.07066	2.6
70.06594	4.6
71.04986	0.7
71.52036	0.4
72.08158	26.9
79.05500	1.4
81.03426	2.2
81.07066	1.7
83.06100	6.9
83.06851	0.3
83.08614	0.9
84.04513	9.4
84.08152	7.2
85.02904	0.6
86.06082	0.5
86.09710	46.0
88.04005	1.0
91.05483	3.0
93.07044	1.3
94.04202	2.7
95.04965	1.6
95.08610	0.5
97.02897	0.9
97.06557	0.4
99.05568	0.8
100.11308	0.6
101.07140	1.6
103.05492	0.5
105.03394	3.3
105.07054	1.0
107.04989	1.6
107.08622	0.8
108.05721	0.5
109.02876	0.5
109.06526	1.1
109.10168	0.8
111.04478	0.3
113.07109	0.5
115.05468	0.4
116.07093	0.9
116.10744	0.6
117.07005	0.9
119.04967	0.4
119.08571	0.8
120.54352	0.4
121.06510	3.4
121.10132	0.6
122.03655	7.1
122.04502	0.7
123.04430	0.4
124.07378	0.3
127.03912	0.7
129.06602	5.4
129.10249	3.7
131.04926	0.9
131.08562	0.7
132.08107	0.6
132.10211	9.9
133.06525	0.5
133.10156	1.0
134.10425	0.3
135.04410	0.3
135.08083	0.5
136.05212	1.0
137.05984	100.0
138.06358	1.0
141.10246	0.5
142.30734	0.4
143.11816	0.5
145.05061	0.4
145.06479	0.8
145.10117	0.4
146.06104	0.7
146.07225	3.0
147.04443	1.0
147.08032	0.8
149.05992	4.1
149.09621	0.6
151.07553	10.8
152.10741	0.9
157.10130	0.4
157.13368	11.3
157.14664	0.6
159.09183	0.7
160.04263	0.7
161.05925	0.4
162.06786	1.0
163.11189	0.3
165.05473	2.0
167.07173	0.5
169.13376	1.3
174.06831	0.6
175.07559	0.4
175.11206	0.4
177.05536	2.0
177.09123	7.9
179.07050	1.6
180.07823	0.4
185.12872	11.1
185.16577	0.6
187.08797	0.9
189.07373	0.4
189.09123	0.9
189.12369	12.4
191.10754	1.0
193.12273	2.1
196.14476	7.9
197.12885	5.4
201.05434	2.0
201.09108	1.7
201.10791	0.4
203.10771	0.7
203.14111	0.4
205.06485	0.5
205.08614	0.5
211.07484	0.4
211.13312	0.9
211.15202	0.6
212.16452	0.4
213.15979	0.4
214.15500	4.0
219.06438	0.7
219.10176	0.8
224.13954	2.6
225.12387	1.4
230.12912	0.7
230.17581	0.6
235.11096	0.7
237.11217	2.8
239.17584	1.1
242.15036	1.9
242.18675	0.6
245.09749	0.8
245.18669	0.7
247.07689	0.5
247.13266	0.3
258.12381	0.6
261.09210	0.5
262.09848	0.5
263.10715	0.8
268.14374	0.7
273.08908	0.4
274.09830	1.0
277.12161	0.7
284.19516	1.8
286.15170	0.4
290.09357	0.8
291.10104	1.0
295.13257	1.8
296.88644	0.4
299.10242	1.2
305.11716	8.9
306.12375	0.6
322.12082	0.7
323.12723	1.9
325.10571	0.5
331.12955	0.8
337.14209	4.0
338.21390	0.8
341.10571	0.5
355.15256	2.7
355.23441	4.9
356.21939	0.7
373.18344	1.9
373.24231	1.0
373.28717	1.6
373.32187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31520	0.4
53.03942	0.5
57.07061	0.4
67.05505	0.7
69.03410	1.3
69.07074	0.6
69.82751	2.3
70.06573	1.6
72.08137	0.9
76.11270	0.4
79.05499	4.8
81.03417	0.8
81.07048	1.6
83.04958	0.7
84.04505	0.9
84.08140	0.8
85.02901	1.6
86.09713	2.9
89.06040	0.4
91.05458	3.2
93.07046	5.2
95.04944	0.5
95.08618	0.5
97.02831	0.4
97.52975	0.4
103.05453	1.3
105.07031	8.5
105.07697	0.7
106.07826	0.6
107.04977	3.9
107.08591	0.7
109.06522	3.6
111.04467	0.4
116.07057	0.7
116.09660	0.4
119.08599	2.4
121.06508	3.8
121.10149	16.0
123.08067	1.6
123.11740	1.3
127.03882	0.4
131.08556	1.4
133.07605	1.7
137.05980	1.4
149.09624	100.0
150.10027	0.9
151.07516	0.6
151.11156	1.9
154.75577	0.4
156.05724	0.5
167.07088	0.7
167.10699	0.8
191.14316	44.3
192.14726	0.6
193.15889	1.0
194.02165	0.9
209.04454	1.9
209.15376	1.6
210.14882	0.9
217.08611	0.9
231.08296	0.4
263.07010	0.5
277.08521	0.5
321.11404	0.8
341.14008	0.5
342.47626	0.4
353.13861	1.2
371.17120	0.9
371.21808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.91487	0.6
53.03944	1.5
55.05509	1.3
57.03424	1.8
61.02919	2.8
67.05502	2.6
69.03435	12.3
69.07062	1.8
70.06580	1.6
70.56912	1.6
71.04984	2.2
73.02918	1.1
79.05466	3.6
81.03423	6.9
81.07055	4.5
83.05020	3.0
83.08648	0.8
84.08145	0.9
85.02914	24.2
86.09673	0.6
89.22623	0.8
89.90395	0.6
91.03961	1.5
91.05461	6.2
93.07035	3.3
95.04962	2.7
95.08614	3.7
97.02895	5.5
97.06541	0.6
98.21378	0.7
99.04453	0.8
99.08089	0.8
105.07021	2.8
107.04970	2.1
107.08598	7.5
109.02885	2.1
109.06514	6.2
109.10143	2.1
114.59779	0.6
119.08580	3.4
120.08105	1.8
121.06506	1.3
121.10157	9.9
122.03604	1.1
122.07268	1.4
123.08086	4.8
123.11700	2.6
127.03953	4.5
128.06230	1.1
129.06967	1.7
131.08572	2.9
133.06532	0.9
133.10103	3.7
135.08080	2.4
135.11769	0.8
137.05991	15.5
137.09622	10.3
137.13303	0.8
141.07021	0.9
144.05728	1.5
145.04962	5.1
145.10112	1.3
147.04370	0.9
147.11676	2.0
149.09624	6.9
149.13254	4.4
151.07532	1.6
151.11180	11.4
156.05713	4.4
157.06546	1.2
158.07300	0.8
159.08055	2.7
161.05984	1.0
165.12764	40.7
167.07076	7.6
173.05913	0.9
173.13271	2.2
174.06818	0.9
175.07555	2.5
175.11064	0.7
177.05447	1.3
187.07559	2.8
189.09131	1.1
191.14351	14.4
193.15909	1.6
203.08588	1.4
206.07355	0.8
207.08150	0.8
209.15379	100.0
211.07515	1.1
215.08698	1.3
217.04955	0.9
217.06598	1.0
217.08598	12.4
218.07271	2.1
221.09680	1.8
229.08669	0.7
231.08051	1.4
233.09663	1.9
234.06755	1.5
235.07561	1.4
239.07092	2.2
241.08600	2.1
242.05667	1.3
246.06854	0.8
247.07494	1.4
247.09625	3.5
248.08229	0.7
249.09172	3.6
251.07030	1.2
252.07774	1.2
255.06523	0.9
260.08221	1.3
261.06616	0.7
261.09094	3.7
262.06131	0.9
263.07086	1.4
263.10736	0.8
269.08282	0.8
271.06067	1.3
277.08627	2.7
277.44168	0.7
278.09436	1.8
279.06482	1.1
281.11765	1.1
285.07599	9.1
289.08505	1.4
291.06546	0.8
293.08453	0.9
293.11768	2.9
300.09900	10.0
301.10645	2.7
306.08725	0.8
307.09613	0.8
309.11276	3.4
311.12637	0.8
313.10675	1.9
321.11169	4.2
323.09299	1.2
326.11542	3.0
338.11469	1.2
339.12469	0.7
341.13855	2.7
353.13809	10.2
371.15085	5.0
371.21112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01881	2.3
55.05513	3.9
57.03439	2.3
67.05507	4.1
69.03426	6.0
69.07072	3.8
69.26255	12.9
70.06612	6.8
71.05002	1.7
72.08168	3.0
73.02898	2.5
73.45393	1.4
79.05505	8.8
81.03420	2.5
81.07067	8.9
83.04978	1.8
85.02903	5.6
86.09732	7.0
89.06027	2.1
89.10496	1.3
89.11110	1.4
91.05482	9.1
91.18638	1.5
93.07064	6.4
94.04150	1.6
95.04976	3.7
95.08613	4.7
97.02894	3.2
99.04488	1.3
103.05463	2.1
104.07100	4.1
105.07031	10.6
106.04167	1.4
107.04996	8.8
107.08600	18.2
109.06525	6.0
109.10178	10.0
111.04472	2.4
111.08067	2.4
115.05475	4.2
116.07069	1.7
117.07015	3.2
119.08619	5.1
120.08099	1.7
121.06454	1.5
121.10147	15.5
122.03677	3.1
122.07297	2.9
123.04460	2.8
123.08094	3.0
128.06250	2.5
129.07059	8.5
131.04907	3.9
131.08543	3.8
132.05696	2.7
133.10143	100.0
135.04434	1.4
135.08075	13.3
137.05986	13.4
137.09625	54.5
144.05663	2.3
147.04408	2.7
147.08005	2.2
147.11682	4.0
149.05971	1.4
149.13257	10.5
151.07558	2.5
153.05412	1.6
156.05693	5.4
159.08099	6.4
160.05231	1.9
161.06004	4.5
163.14838	3.9
165.05333	1.7
167.07063	49.1
173.13220	6.6
175.07523	11.0
177.05536	1.8
178.07765	2.1
187.07542	16.7
191.07062	5.4
191.08604	2.2
191.10606	1.7
191.14310	37.4
192.07800	5.9
199.07587	2.5
202.07831	2.1
205.06602	2.2
206.07202	3.2
207.08134	2.3
209.15347	10.1
217.08580	12.5
218.07166	3.5
219.08060	4.5
219.10049	1.8
221.09589	3.8
231.08127	1.8
233.09758	3.0
234.06740	2.6
235.07581	3.9
237.06647	1.4
238.85922	1.5
239.07040	1.6
247.07486	2.0
247.09750	2.3
249.09096	6.1
251.07101	2.7
261.09109	5.3
262.06311	1.6
263.07135	3.8
265.08652	2.6
266.09558	2.1
273.04208	7.5
277.08569	4.2
278.09494	2.4
279.06747	2.5
279.10159	2.8
281.11746	5.9
285.07663	3.9
289.08606	2.0
293.08350	2.8
293.11630	2.0
295.09735	2.0
299.16409	1.5
300.09940	5.2
301.10605	1.7
307.09662	3.2
309.11215	11.2
311.09387	2.5
321.11224	5.7
326.11536	5.0
339.12329	6.5
341.13861	17.0
353.10117	1.8
353.13959	8.5
355.15866	1.7
371.14240	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.01851	1.2
55.05511	5.6
57.03430	1.6
57.07072	4.0
59.04987	1.1
59.33154	0.9
61.02922	1.8
63.25653	0.9
67.05498	3.2
69.03087	1.5
69.03435	21.3
69.07073	6.1
69.48819	0.9
70.06586	7.6
71.04984	2.0
71.26472	1.0
72.08162	6.0
73.02903	1.3
73.04739	1.1
77.44786	0.8
79.05489	3.6
81.03411	2.9
81.07060	7.3
82.06564	1.3
83.04990	12.2
83.08609	3.0
84.04527	1.0
84.08150	3.5
85.02908	9.2
85.06551	4.4
86.09709	20.8
87.04474	1.2
91.05463	9.7
93.07048	5.3
95.04951	2.1
95.08605	9.5
97.02896	3.7
97.06535	1.9
99.04468	1.1
99.08074	1.5
100.07621	3.7
100.11253	6.3
101.02358	1.0
105.07024	4.9
107.04931	1.7
107.08606	17.0
109.02888	1.0
109.06522	10.1
109.10168	3.8
111.04474	3.7
111.08086	11.0
112.07660	1.0
115.08684	1.6
116.07104	7.0
119.08580	3.5
120.08094	0.9
121.06505	2.4
121.10147	14.1
123.08092	4.3
123.11745	4.5
125.09637	27.0
127.03912	4.7
128.07083	3.2
129.07037	1.1
129.10237	1.9
131.08601	8.1
133.10130	8.9
135.08063	23.8
135.11673	6.8
136.08829	1.5
137.05974	2.2
137.09598	1.9
140.07079	0.9
143.08414	1.5
145.04945	1.2
145.10094	4.5
147.11700	3.7
149.09621	14.9
149.13304	5.9
150.10428	2.5
151.07568	1.4
151.11220	2.2
153.09131	9.1
158.10968	4.4
161.09668	1.3
163.11160	8.1
163.14841	5.5
165.12779	2.7
167.07097	1.4
167.10706	3.7
169.07660	1.0
173.13258	22.6
175.11256	1.0
176.11987	2.5
182.15385	6.8
191.14317	99.4
192.14679	1.7
209.15370	100.0
210.14862	10.5
217.08601	2.0
227.17603	2.6
229.15443	1.4
244.20277	2.1
249.09097	1.0
256.16562	2.0
283.14725	0.9
318.14816	1.0
323.09283	1.4
336.22900	1.0
337.21198	3.0
353.13577	1.3
353.19641	5.0
354.23877	6.0
356.50009	0.9
371.11105	2.3
371.16913	2.3
371.20715	31.3
371.26480	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.9
59.43188	2.1
61.44180	1.8
67.05518	4.3
68.66958	1.8
69.03452	1.9
69.07089	2.2
69.62814	11.8
70.53886	1.8
79.05502	14.2
81.07050	4.3
91.05511	10.0
93.07063	4.4
94.04227	2.9
95.04961	4.3
95.08601	3.0
97.02877	6.2
97.06522	2.4
97.15636	2.1
97.70247	2.2
105.07049	3.3
107.04965	21.5
107.08586	2.4
109.06537	3.9
111.04443	2.9
115.05467	5.2
116.06215	2.4
117.07042	3.5
119.04973	2.7
121.06515	2.7
122.03651	12.4
128.06262	4.4
129.07040	13.6
131.04913	5.8
131.08556	10.5
133.02890	3.2
135.04425	2.3
135.11824	2.4
136.07501	2.1
137.05984	100.0
141.07011	6.6
144.05707	10.0
145.06506	4.2
151.03928	4.5
151.07553	6.8
152.04660	2.9
156.05710	23.6
157.06476	6.9
158.07344	2.3
159.08075	18.6
161.05904	2.5
163.03963	3.5
163.07503	2.0
165.05505	2.5
167.07059	41.0
169.06386	3.0
169.07655	2.4
172.05186	6.4
173.06021	4.6
174.06862	4.6
175.07544	8.6
177.05475	3.6
179.07031	2.7
181.06566	3.0
184.05278	4.8
186.06808	3.1
187.07535	20.3
189.09123	7.1
190.07848	4.9
193.10155	2.5
195.06563	2.5
198.06799	3.9
201.09143	2.3
202.06252	6.2
203.08586	8.5
204.07793	3.2
205.06715	2.9
205.08615	5.3
206.07320	5.8
207.08115	4.8
211.07590	6.0
215.06909	4.3
215.08743	4.7
217.08603	74.9
218.07225	9.5
219.08047	7.5
219.10158	5.0
221.09674	8.1
222.06770	2.8
223.07521	4.5
224.04727	2.4
226.06189	3.2
231.08057	8.4
232.08781	6.1
233.06050	4.6
233.09631	14.2
234.06729	9.6
235.07631	11.0
237.05502	4.2
237.09140	3.0
239.07008	20.8
241.08597	16.3
242.05687	3.0
246.06833	4.3
247.07481	5.1
247.09700	27.4
248.08333	3.9
249.05322	2.2
249.09152	23.0
251.06996	7.2
252.07791	7.4
257.08047	5.8
259.07364	2.7
260.08398	5.8
261.09134	29.4
262.06299	3.7
262.09601	2.9
263.07117	12.9
263.10532	4.9
264.07901	3.7
265.08594	4.6
266.09390	5.8
269.08078	6.9
270.09006	2.7
271.05893	6.3
277.08594	19.8
278.09375	14.9
279.06631	3.9
279.10028	4.2
280.07217	4.0
281.11774	7.4
285.07602	58.6
289.08643	7.7
290.09320	2.3
291.10175	3.9
292.10886	2.5
293.08319	5.3
293.11722	20.2
294.08911	5.7
295.09512	5.0
298.08353	3.1
300.09921	69.7
301.10629	18.3
306.08887	6.7
307.09531	10.6
309.11194	25.0
311.09048	5.9
311.12695	3.8
313.10724	11.7
321.11234	35.8
322.11810	3.4
323.09091	8.6
325.10648	2.9
326.11496	20.6
338.11429	5.4
339.12268	3.2
341.13797	17.0
353.10400	3.5
353.13846	69.8
371.10965	2.8
371.14969	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	371.1492
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03940	2.7
55.01876	3.8
55.60462	2.7
59.05007	3.4
69.03436	4.1
69.28194	11.6
69.28600	5.4
70.06590	1.9
71.05018	4.0
75.30727	1.8
77.03928	2.3
79.05519	15.4
81.03418	2.6
81.07051	6.2
91.05489	14.3
93.07056	3.7
94.04164	3.0
95.04992	3.3
95.08591	2.8
97.02904	2.1
103.05475	11.6
104.06261	3.9
105.07044	6.4
107.04967	21.1
107.08609	4.7
109.06516	5.9
115.05479	5.3
116.06298	2.8
117.07043	2.4
119.04918	2.3
121.06503	4.7
121.10155	2.3
122.03679	8.1
123.04507	2.6
125.06007	2.7
128.06235	6.1
129.06972	9.5
130.04137	2.2
131.04953	22.8
131.08566	14.4
132.05719	20.9
133.02907	4.3
133.06503	6.3
133.10106	2.1
137.05984	100.0
141.07007	5.5
144.05701	8.0
145.06508	5.6
145.10081	3.0
146.03532	2.5
147.04399	2.6
149.05962	5.7
151.03902	4.7
151.07544	6.7
153.05446	2.5
153.06944	2.2
156.05702	27.1
157.06564	9.7
158.07288	3.1
159.04430	9.0
159.08067	18.7
160.05188	9.6
161.06012	7.8
163.03909	4.1
163.07571	3.0
163.11240	2.0
165.05508	4.5
165.07008	2.7
167.07054	51.5
169.06451	4.8
172.05156	3.6
173.06010	5.4
174.06763	7.2
175.07593	13.6
176.04733	3.5
177.05504	17.3
177.06949	3.8
178.07846	5.3
179.06966	4.6
180.07840	4.0
181.05006	2.1
181.06499	2.8
184.05174	3.7
186.06737	4.3
187.03954	15.9
187.07523	25.1
189.07109	3.7
189.09132	8.0
190.07785	3.8
191.07074	12.4
191.08565	3.2
192.06015	3.6
192.07805	53.2
193.08614	9.2
193.10211	4.3
195.06520	3.4
197.06084	2.2
199.07578	3.8
201.09091	2.3
202.06242	6.7
202.07874	3.6
203.06958	4.1
203.08592	11.8
204.07744	2.4
205.06860	2.5
205.08614	8.4
206.07239	7.4
207.06416	4.7
207.08098	5.1
211.07533	4.9
215.06856	4.6
215.08603	7.8
217.08607	84.1
218.07228	11.9
219.08099	6.6
219.10239	6.2
221.09712	12.2
222.06830	2.6
223.07661	4.0
224.04710	3.4
224.08337	2.2
226.06349	3.9
231.08031	9.5
232.09076	3.3
233.06027	4.7
233.09613	16.5
234.06851	11.7
235.07635	11.6
236.08397	2.5
237.09174	2.5
238.09955	3.0
239.07054	25.7
241.08693	13.6
242.05803	5.6
246.06787	5.5
247.07538	6.6
247.09697	33.0
248.08371	4.0
249.09143	24.4
250.06287	2.7
250.09981	7.2
251.07141	8.1
251.10680	3.5
252.07791	8.4
253.05136	2.2
256.03632	2.2
257.08105	6.2
259.07632	2.2
260.08344	6.1
261.09131	29.5
262.06348	6.0
263.07059	14.1
263.10794	3.0
264.07843	4.8
265.08594	8.4
266.09412	6.7
269.08069	8.2
271.06033	4.9
275.07007	3.3
277.08618	22.6
278.06616	2.2
278.09402	15.1
279.06528	6.0
279.10098	6.9
280.07358	4.8
281.08618	3.9
281.11722	13.1
283.09723	4.3
285.07596	63.8
289.05768	2.3
289.08435	12.0
291.06723	2.8
291.10156	7.0
292.10812	3.4
293.08066	7.7
293.11765	24.6
294.08868	4.5
295.09631	4.6
296.07071	2.3
300.09952	76.4
301.10690	16.0
306.08875	9.3
307.09656	8.6
308.06830	3.6
309.11212	25.9
310.11823	2.2
311.09100	5.6
311.12662	3.7
313.10767	13.3
321.11230	33.7
322.12054	4.5
323.09158	9.0
325.10709	4.3
326.11511	22.1
327.12311	3.2
338.11572	6.9
339.12329	11.0
341.10153	9.3
341.13907	23.6
343.15668	2.4
353.10217	5.1
353.13849	68.5
354.14594	3.4
371.14984	40.1
371.19611	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30621	1.0
69.18772	1.0
70.06595	6.2
70.72171	1.0
70.72565	0.9
70.87054	2.3
70.87392	1.5
76.35179	0.9
79.05486	2.1
89.03921	5.8
107.04944	3.0
117.03366	7.0
121.02860	1.5
123.04448	1.1
129.10233	1.3
131.04916	2.3
135.04427	17.0
137.06105	1.4
138.03111	2.2
139.03876	4.0
141.01869	1.4
145.02858	12.0
147.04410	6.6
149.02318	3.2
153.05472	84.7
161.05942	1.7
163.03911	100.0
169.13330	2.4
175.03979	2.0
177.01854	3.0
177.03926	2.0
177.05417	2.4
181.04956	3.5
187.03922	2.2
189.05455	2.5
191.03381	1.7
195.06543	27.4
197.12869	1.5
203.03401	37.3
205.04982	4.6
213.05484	1.7
215.03398	6.6
217.04909	1.4
229.04922	1.3
231.02910	4.0
233.04500	3.1
261.03976	5.7
275.05481	1.7
279.05014	10.9
291.04987	6.7
321.05981	4.1
339.07141	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05509	3.2
57.03440	1.0
59.04998	1.1
61.58249	1.0
64.61678	0.8
65.37861	0.9
66.48579	0.9
67.05499	3.0
69.03447	4.7
69.07060	1.8
70.06595	4.9
70.13548	1.5
70.13905	3.4
71.04994	3.1
72.08170	1.8
78.04712	3.2
79.05508	12.3
81.03426	4.4
81.07066	5.5
83.04979	2.4
83.08607	1.2
84.08138	1.6
85.02885	2.7
85.06498	1.5
86.09710	1.2
91.05467	8.2
93.07050	5.4
94.04213	1.0
95.04981	9.7
95.08607	2.8
97.02892	2.6
98.20887	1.1
99.04453	2.8
100.11253	3.4
101.06052	1.4
103.05463	3.6
105.07026	9.9
106.04179	2.6
107.04974	14.6
107.08598	7.8
109.02866	1.9
109.06513	3.4
109.10181	1.6
111.04431	2.0
111.08114	1.5
115.05441	2.8
117.07032	1.9
118.04226	1.3
119.04950	1.2
119.08584	3.9
120.08105	1.4
121.06466	2.3
121.10138	3.8
122.03656	1.8
123.04450	6.5
123.08071	5.7
124.05178	3.2
125.05970	1.3
127.03939	2.1
128.06248	3.6
128.92540	0.9
129.07030	9.6
131.04916	3.9
131.08548	5.0
132.05724	3.7
133.06537	7.0
133.10152	4.6
135.04459	1.1
135.08051	3.4
135.11650	2.0
137.06003	8.2
144.05692	1.5
145.06438	3.0
145.10141	2.3
147.04395	1.1
147.08044	3.4
147.11705	1.9
149.05978	2.3
149.09636	2.9
149.13301	1.5
151.03902	2.6
151.07549	1.8
151.11194	2.2
152.04694	2.1
153.05487	1.3
153.09096	3.0
155.04913	2.0
155.05989	1.4
156.05675	3.3
157.06458	1.8
157.10013	0.9
159.08067	8.0
160.05188	2.0
161.05995	9.0
161.09634	1.4
163.11110	1.6
165.12723	1.1
167.07054	100.0
172.05180	3.2
173.06128	1.5
173.13199	5.1
175.07558	24.3
177.05402	2.4
178.07718	1.8
184.05180	1.2
187.07550	29.7
189.07007	2.1
189.09090	2.4
190.07729	2.1
191.07063	6.9
191.08566	2.1
191.10669	1.2
191.14326	9.0
192.07768	2.0
193.10175	1.1
193.12183	0.9
199.07603	7.3
202.07799	2.5
203.08578	3.7
205.06546	2.4
206.07262	3.2
207.08092	1.2
209.08104	2.2
209.11765	1.2
209.15331	11.1
215.08582	1.5
215.14372	3.0
217.08504	5.4
218.07272	3.9
219.08026	4.2
220.08801	1.2
221.09727	4.7
223.07542	1.3
231.07968	3.4
232.08911	1.4
233.06006	1.7
233.09604	4.9
234.06834	5.5
235.07610	4.6
237.09151	1.3
243.08023	1.6
245.05974	1.4
246.06815	2.3
247.07504	1.9
247.09769	1.5
248.08342	3.0
249.09129	8.0
250.09686	1.2
251.07106	3.2
260.08408	1.7
261.09091	6.1
263.07095	2.7
266.09363	1.9
276.07755	2.0
276.72729	1.3
277.08658	6.2
278.09384	2.5
279.06815	1.1
279.10184	2.1
281.11691	11.2
285.07565	1.4
289.08606	3.7
291.06528	1.3
291.09976	2.2
293.08365	2.2
293.11703	3.2
295.09589	1.9
300.09888	1.9
306.08777	1.8
307.09674	1.8
309.11252	14.9
311.09183	1.2
311.12598	1.4
321.11209	7.0
322.12039	1.5
325.10837	1.5
326.11545	4.7
339.12405	2.7
341.13876	17.8
353.14133	7.8
371.15289	6.5
371.21994	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	370.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01879	0.9
55.05505	1.0
57.03429	1.3
57.07078	12.6
59.05005	100.0
61.02926	2.0
67.05521	1.3
68.90643	0.7
69.03429	3.4
70.06590	2.2
71.51740	1.1
72.08163	0.8
79.05491	1.9
81.03421	2.0
81.07052	2.3
85.02908	12.4
86.09728	1.1
91.05481	3.2
93.07072	1.2
95.05006	0.9
97.02892	3.3
97.06525	1.1
97.10208	1.2
99.04470	0.9
103.05425	0.9
105.07019	1.7
107.04952	1.6
107.08612	2.4
109.02894	1.0
115.11210	27.0
117.09149	1.3
119.04990	0.8
119.08579	1.0
120.08112	1.1
120.45643	0.9
121.06527	0.8
121.10135	1.0
127.03889	2.5
131.04933	1.0
132.58421	0.9
133.06500	1.0
137.05975	2.3
147.04427	3.2
147.11673	0.8
151.07492	1.2
167.07011	4.7
170.96500	0.8
173.15376	4.7
191.16437	49.2
228.15961	0.9
239.07208	0.8
261.77536	0.8
266.05963	0.8
280.19128	0.8
310.22925	0.8
321.10968	0.9
370.25497	2.8
371.14734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05296	0.6
55.05513	5.8
62.06090	1.2
66.93283	0.7
67.05495	2.3
69.03419	0.7
69.07071	3.9
70.06591	1.3
71.08644	5.8
72.08144	2.2
76.20824	0.7
79.05507	1.1
79.28008	0.8
81.07053	3.4
83.08624	8.9
84.08151	1.8
86.06080	5.4
86.09708	1.8
91.05453	1.3
93.07046	2.7
95.04946	1.1
95.08613	3.4
96.08121	2.7
97.06511	1.1
98.06071	2.6
98.09714	5.5
99.04433	1.1
99.08076	2.3
105.07030	0.9
107.08598	1.6
108.08107	3.0
109.10156	1.3
110.09686	0.9
111.08098	2.6
116.10742	26.4
119.08585	1.0
121.06508	0.6
122.09671	2.7
123.31850	0.6
124.07609	1.5
126.09109	0.9
129.09068	0.7
133.10123	1.1
140.10686	0.9
142.08672	1.2
143.10670	2.9
145.10161	0.8
151.11211	0.7
154.15923	3.4
157.10066	0.9
166.15942	2.3
178.15935	1.0
183.10204	3.8
196.16975	6.9
201.11282	3.0
214.18036	100.0
215.18359	0.8
236.16539	1.7
254.17534	13.5
272.18582	51.3
307.20996	0.9
325.22095	1.4
369.95709	0.9
370.25937	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	370.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.6
55.34196	1.6
57.07063	2.1
58.08443	1.7
66.70630	1.8
67.05505	12.2
69.03439	2.3
69.07072	14.5
70.25789	3.2
70.26118	3.3
71.08631	11.7
75.47633	2.0
79.05495	9.7
80.05850	1.9
81.07055	17.3
82.78066	1.7
83.04998	3.8
83.08586	1.9
91.05488	5.5
93.07033	13.1
95.04964	2.7
95.08602	14.2
97.06518	4.0
99.08123	12.3
101.97772	1.9
103.65096	2.0
105.07021	9.3
107.08585	8.3
109.06503	14.9
109.10136	5.1
119.08565	4.8
121.06528	4.5
121.10146	6.8
123.11761	2.6
131.08586	3.5
133.10130	3.9
135.08075	2.3
135.11691	2.5
137.06081	2.0
139.11198	3.7
147.11662	3.0
149.13303	2.9
151.07535	3.4
151.26137	1.9
159.11786	2.9
163.11307	2.1
163.14839	2.1
165.12762	30.1
166.13118	3.1
173.13344	2.3
177.12776	2.5
179.14284	3.6
181.15822	7.1
191.10782	2.9
209.11826	2.2
237.11261	3.0
251.16476	3.2
261.22177	10.1
278.21906	2.5
279.23239	7.0
289.21646	39.0
290.22015	5.6
293.17569	4.5
307.22708	100.0
308.22852	3.1
325.23660	4.8
334.24588	4.6
352.25790	9.3
370.23996	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53381	4.7
53.03943	5.3
55.01868	7.4
55.05511	16.9
57.03450	7.0
57.07064	4.1
67.05511	40.0
69.03440	6.2
69.07076	37.8
70.06575	12.7
71.05005	5.9
71.08643	8.0
79.05484	29.8
81.07059	47.6
83.04976	8.5
83.08619	14.9
85.41295	3.9
86.09221	8.3
86.09708	97.7
91.05491	22.2
93.07030	36.9
95.04964	17.6
95.08577	29.9
97.06510	9.5
97.10207	7.9
99.08110	7.9
105.07039	35.5
107.08602	26.2
109.06537	11.1
109.10172	17.4
111.08074	12.7
116.10753	7.8
117.07093	5.4
119.08598	22.0
121.06452	6.2
121.10151	19.5
123.11725	4.9
125.09627	6.1
129.07002	7.0
131.08569	18.6
132.10204	31.3
133.10139	29.9
135.08038	8.3
135.11708	10.4
137.09584	5.4
145.10136	8.7
147.11702	19.0
149.09602	5.1
151.07545	7.8
151.11182	58.1
157.10147	12.3
159.11665	5.9
161.09634	10.2
161.13223	5.9
165.12773	7.6
171.11739	6.1
175.11223	6.2
183.11693	6.6
185.13263	4.4
197.13266	5.2
207.13832	4.9
214.18030	16.5
254.17468	5.8
260.20084	6.4
269.83716	4.6
272.18518	14.7
277.21671	29.5
278.21112	39.7
291.93509	4.3
295.22711	8.3
306.20624	18.5
324.21695	100.0
351.25125	6.3
369.20248	5.9
369.23935	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	370.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57244	5.0
55.01854	4.9
55.05506	7.6
67.05507	8.6
69.03427	13.7
69.07055	14.2
70.06572	10.6
71.52262	5.6
72.08144	6.2
75.19419	4.4
75.25687	4.8
79.05488	12.0
81.03419	9.2
81.07058	14.7
83.08633	7.2
84.08127	10.0
85.02877	12.6
86.09705	14.8
87.04473	9.6
89.06031	10.9
91.05475	13.6
93.07018	7.2
97.02915	12.1
100.91486	5.5
101.09634	10.0
104.07093	5.7
105.07000	10.8
107.07080	10.3
107.08566	6.5
108.28535	5.9
117.06998	6.1
119.04935	18.3
119.08585	9.4
121.06492	7.4
121.10169	7.8
125.52104	5.6
127.03896	5.5
133.06490	25.9
134.06812	12.9
135.04430	53.3
135.08067	7.1
135.11748	4.6
137.05965	16.4
151.03914	5.2
151.07516	5.9
158.48038	4.8
163.07530	6.0
163.13312	53.8
167.07051	7.6
183.91104	4.7
190.13115	8.1
191.14268	6.7
192.14708	6.3
193.08632	9.8
207.06590	5.8
207.13931	5.4
208.13298	100.0
221.01817	5.5
236.12857	12.2
273.90268	5.8
327.14157	7.1
353.14154	8.0
370.16971	24.7
370.20618	7.3
371.13162	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.4
55.01791	2.1
55.05441	13.9
55.05739	2.4
57.03363	10.1
57.03669	1.5
57.07000	10.1
57.07305	1.8
57.38597	0.5
59.04956	0.7
65.03875	0.8
67.05424	28.2
67.05824	3.2
69.03358	1.3
69.06985	14.6
69.07404	1.9
70.04204	2.5
71.04912	4.4
71.08549	2.0
74.15411	0.8
78.54014	0.9
79.05408	14.9
80.50683	0.6
81.03334	6.7
81.06972	33.3
81.07502	2.5
83.04978	6.3
83.08530	6.0
85.02905	3.7
85.06530	3.2
85.10095	23.1
90.10950	0.6
91.05487	13.4
93.07053	16.6
95.04975	10.5
95.08615	15.8
95.09177	1.1
97.06532	4.1
97.10175	3.7
99.08009	1.9
101.05966	0.8
105.07039	15.6
107.04975	4.2
107.08602	14.6
109.06520	4.2
109.10163	28.2
109.10868	1.2
111.07988	2.1
113.05932	1.3
113.09658	25.3
117.06943	1.5
119.08586	7.3
121.10159	7.6
123.08059	4.7
123.11697	5.2
125.09666	3.0
127.07465	0.7
129.06886	2.0
131.08591	5.3
131.52464	0.7
133.10143	15.9
135.07974	1.0
135.11694	3.1
137.09509	1.2
141.12640	1.7
142.03041	0.6
143.08482	0.7
145.10130	3.2
147.11702	5.8
149.09650	6.8
149.13181	2.0
151.07443	0.8
151.11154	6.7
153.12688	1.5
155.10670	1.4
157.10045	1.7
159.11633	1.0
161.13159	2.3
163.11206	3.0
163.14780	0.8
165.12762	29.4
167.14249	1.3
169.12253	4.7
171.10178	0.7
171.11589	1.7
173.11716	1.0
175.11156	1.9
175.14786	1.5
179.14349	2.9
181.12178	1.4
189.11206	1.4
189.12743	1.5
193.15701	0.8
195.13831	0.8
197.15338	0.8
207.13785	2.6
208.57243	0.7
215.17967	0.7
231.21153	1.4
241.19513	1.5
249.22133	2.3
250.08524	0.6
259.20624	3.3
269.17679	0.7
277.21646	57.9
278.21872	1.1
295.22705	100.0
296.23029	1.8
351.25354	3.5
369.26453	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	369.2637
Annotation	Betaenone B
Peak:m/z	Relative Intensity
52.55196	2.1
53.03945	4.6
55.01864	5.2
55.05510	28.5
57.03435	13.6
57.07070	13.5
67.05505	56.0
69.03430	4.7
69.07069	20.3
69.75093	7.7
69.75503	4.4
71.04973	6.0
71.08635	25.7
74.39559	2.1
79.05503	33.1
81.03408	10.5
81.07056	51.3
83.04967	12.9
83.08618	13.8
85.02885	3.9
85.06548	3.4
85.10188	18.2
91.05486	26.6
93.07051	38.9
95.04964	25.2
95.08605	29.3
97.06523	6.4
97.10202	10.4
99.08097	26.4
105.07037	24.3
107.04952	5.4
107.08604	24.3
109.06518	8.3
109.10163	31.1
111.08069	2.5
113.09635	19.0
117.07029	3.7
119.08595	15.4
121.10160	12.6
123.08047	3.6
123.11765	3.1
125.09596	11.2
129.07021	4.4
131.08540	6.9
133.10132	21.3
135.11668	12.1
137.09477	2.9
145.10132	8.1
147.11684	11.2
149.09608	4.8
149.13231	7.1
151.11189	31.6
157.10077	3.1
159.11691	3.2
161.13202	10.6
163.11157	9.9
165.12762	34.8
169.12228	3.3
171.11665	4.0
173.11720	9.9
173.13080	2.7
175.14775	4.3
179.14314	8.7
189.11188	12.3
207.13808	4.1
227.12782	9.0
241.19453	4.6
245.13805	7.1
249.22102	3.3
253.18121	5.1
256.17053	2.3
259.20566	8.4
277.21631	100.0
295.22690	96.6
296.23013	2.9
351.21744	2.9
351.25388	33.3
369.26382	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01884	13.1
55.05516	66.3
57.03438	29.2
57.07067	6.8
59.05010	1.9
62.87607	1.6
65.03934	2.9
67.05510	66.7
69.03434	4.1
69.07073	30.9
69.76276	3.8
69.76682	4.8
70.55030	1.4
71.04994	6.8
71.08636	44.9
72.94812	1.3
77.03055	1.5
79.05073	2.5
79.05500	34.8
79.26849	1.6
81.03412	3.6
81.07063	96.9
83.04987	10.8
83.08627	53.2
85.06547	6.7
85.10186	5.5
91.05486	39.5
93.07044	41.5
95.04974	8.4
95.08611	41.8
97.06544	17.2
97.10162	6.3
97.49477	1.4
99.08097	34.5
105.07038	38.9
107.04984	1.8
107.08594	27.5
109.06504	8.5
109.10170	15.4
111.08096	26.6
113.09660	10.5
114.20594	1.5
117.07014	4.8
119.08577	24.9
121.06518	2.9
121.10158	22.5
121.78525	1.6
123.08099	4.3
123.11711	15.9
125.09608	3.9
127.11218	3.3
129.07005	6.7
131.08546	7.3
133.10147	21.0
135.11702	12.7
137.06001	2.4
137.09618	4.9
137.13301	2.9
139.11206	6.0
142.07774	1.6
143.08554	2.2
145.10127	8.2
147.08058	1.7
147.11699	37.1
149.09648	5.4
149.13280	20.9
151.11191	14.4
151.14873	2.1
153.12761	2.5
157.10144	5.0
159.11758	4.1
161.13281	12.4
163.11201	6.8
163.14880	2.5
165.12762	28.0
167.14320	3.9
171.11726	4.8
173.11836	2.0
175.11169	7.7
175.14870	2.9
177.12683	1.9
179.14328	10.5
181.12279	2.9
185.13196	2.6
191.14380	1.8
193.12289	3.2
193.15923	1.6
195.13782	2.4
207.13802	2.1
209.25732	1.5
231.21143	4.0
236.65593	1.5
241.19572	4.3
249.22250	5.2
259.20663	10.8
277.18402	3.5
277.21628	68.1
294.56302	1.6
295.22729	14.8
351.25418	17.6
369.26392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03934	4.2
55.01873	21.7
55.05515	59.7
57.03437	23.1
57.07073	7.8
67.05505	57.0
69.03425	3.0
69.07070	35.1
70.06578	1.9
70.56543	4.2
70.56862	2.6
71.05000	5.7
71.08633	45.7
79.05491	35.7
81.03407	5.5
81.07055	83.1
83.04986	14.0
83.08104	2.5
83.08615	42.4
85.02846	2.1
85.06545	8.7
85.10193	10.5
91.05488	45.3
93.07045	41.4
95.04960	15.2
95.08611	41.0
97.06530	13.2
97.10181	5.7
98.20798	2.2
99.08100	33.7
105.07031	36.0
107.04951	5.7
107.08595	28.1
109.06482	9.6
109.10168	17.4
111.08093	30.2
113.09645	17.1
117.07018	4.6
119.08580	25.8
121.10152	24.5
123.08089	9.5
123.11721	15.3
125.09624	3.7
127.07714	2.2
129.07008	7.8
131.08578	9.8
133.10138	19.9
135.11702	11.8
137.09657	7.0
137.13264	4.8
139.11209	6.4
143.08539	5.2
145.10065	9.7
147.11694	31.8
149.09682	8.4
149.13249	13.9
151.07564	2.9
151.11182	16.0
153.12791	3.0
157.10173	8.1
159.08145	2.4
159.11722	6.5
161.09694	3.2
161.13269	12.3
163.11192	7.2
163.14807	3.2
164.54588	2.0
165.12758	32.3
167.14323	4.4
171.08090	2.1
171.11685	6.4
175.11241	6.8
175.14845	5.2
177.12802	2.6
179.14432	10.1
185.13329	2.7
189.12726	2.9
193.12289	3.6
207.13771	4.9
209.15314	2.5
212.82169	2.3
219.95912	2.1
221.15373	3.2
231.21198	5.9
241.19687	5.1
249.22133	7.4
259.20566	10.9
277.21631	100.0
290.41727	2.4
295.22647	18.0
351.25339	34.7
369.26431	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12123	2.1
53.03944	5.1
55.01851	2.3
55.05510	14.6
57.03444	4.2
57.07059	5.6
67.05510	44.6
69.07056	14.5
70.76340	5.8
71.04975	3.3
71.08638	42.3
79.05499	37.6
81.03423	3.6
81.07056	46.6
83.04966	11.5
83.08615	9.2
90.85345	2.6
91.05491	26.3
93.07048	62.3
95.04963	8.5
95.08615	34.1
97.06520	11.0
99.08100	28.4
105.07032	25.1
107.04951	6.1
107.08596	29.9
108.92529	2.4
109.06548	4.8
109.10172	14.2
113.09612	3.5
115.09469	2.5
117.07016	6.2
119.08591	20.1
120.45761	2.4
121.10146	25.0
123.11700	3.3
125.09634	3.6
131.08595	6.1
133.10159	17.8
135.11703	35.2
137.09648	3.2
141.09119	4.7
145.10094	5.7
147.11684	7.7
149.09575	2.8
149.13295	11.9
151.11203	16.8
153.12663	3.3
159.11664	4.5
161.13280	9.3
163.11168	4.5
165.12738	6.2
167.10754	3.0
171.11664	3.3
173.13283	2.8
177.12611	3.6
179.14320	100.0
199.14934	3.1
235.17026	6.4
259.20544	7.8
277.21640	68.7
351.25320	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13310	2.5
52.57473	2.4
53.03945	6.4
54.91310	2.1
55.01886	11.4
55.05281	3.3
55.05517	51.9
57.03444	25.4
57.07062	5.5
65.03925	3.7
67.05510	100.0
69.06732	3.0
69.07073	36.9
69.97688	2.6
71.04980	8.3
71.08628	28.7
71.52390	3.9
79.05497	62.2
81.03408	17.8
81.07063	98.2
81.12118	2.4
83.04986	16.4
83.08622	31.2
85.06536	7.5
91.05486	45.3
93.07051	82.0
95.04974	23.0
95.08611	61.0
97.06538	18.9
97.10205	12.6
99.08099	24.1
103.05449	3.4
105.07039	38.2
107.04979	4.5
107.08605	46.3
109.06516	10.6
109.10169	28.6
111.04433	5.2
111.08098	8.8
113.05983	2.6
113.09626	3.1
116.81881	2.3
117.07040	16.7
119.08584	29.8
121.06495	5.1
121.10146	28.2
123.08060	5.5
123.11700	5.9
125.09610	10.4
128.06174	3.3
129.06998	8.4
131.08556	17.5
133.10121	24.7
135.08009	5.9
135.11720	23.5
137.06001	19.2
137.09593	3.5
139.07574	2.7
139.11140	6.6
143.08578	8.8
145.10162	14.5
147.11699	17.3
149.09676	5.0
149.13254	29.0
151.07645	2.9
151.11182	39.6
155.08566	4.1
157.10138	6.6
159.11697	15.9
161.02361	3.3
161.09604	6.9
161.13245	20.8
163.11209	13.8
163.14810	4.6
165.12798	6.7
171.11676	8.2
173.11711	11.3
173.13243	5.6
175.14883	4.3
177.12648	12.0
179.14322	10.4
181.10074	2.8
183.11652	2.5
185.13208	7.0
187.03960	3.5
189.11192	7.6
193.15979	2.4
195.13843	16.7
199.14792	3.0
213.14896	2.7
219.11740	2.4
225.05565	2.5
227.12801	8.8
231.21126	5.1
241.19556	7.3
245.13829	7.5
249.22142	4.5
253.17865	3.6
259.20639	9.1
269.17499	61.2
277.18106	7.2
277.21634	66.2
292.14621	2.6
295.22659	5.7
312.45334	2.5
337.14374	4.3
351.25436	46.6
369.26730	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01866	7.5
55.05513	36.9
57.03432	12.2
57.07065	10.4
65.76970	3.8
66.72134	3.0
67.05508	89.4
69.07077	27.5
69.70317	15.5
71.08636	22.0
79.05495	46.3
79.97762	3.2
81.03433	6.2
81.07063	75.1
83.04977	7.7
83.08645	19.9
85.06552	6.7
91.05485	31.5
93.07049	75.3
94.30392	3.3
95.04978	15.0
95.08614	56.4
97.06534	9.6
97.10181	17.0
98.20765	6.0
99.08095	19.3
105.07040	31.9
107.04994	4.1
107.08596	54.4
109.06490	9.3
109.10159	35.9
111.08054	8.2
117.07004	8.5
119.08590	24.3
121.10153	31.2
123.08047	7.9
123.11709	8.5
125.09653	12.9
131.08543	16.9
133.10112	20.5
135.08051	5.2
135.11699	39.2
137.09599	5.7
142.11426	3.2
143.08575	6.6
145.10104	15.4
147.11702	18.7
147.69223	3.3
149.13225	18.8
151.07587	5.2
151.11176	13.8
157.10089	3.9
159.11717	9.0
161.09598	4.2
161.13249	13.2
163.11249	8.6
163.14842	5.2
165.12732	4.9
171.11745	7.3
172.95990	3.2
173.13290	5.2
175.14798	7.3
179.14328	59.8
185.13324	4.9
187.14799	7.7
189.11201	10.0
189.12758	6.5
195.13818	3.8
199.14752	5.6
201.16240	3.5
207.13860	4.9
219.17519	3.2
225.11877	3.0
227.12589	6.5
235.17021	5.5
241.19553	4.4
245.13771	4.5
259.20615	17.5
277.18826	6.3
277.21652	81.8
286.04501	3.7
295.22778	5.8
340.37125	3.5
351.25378	100.0
369.24249	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98843	2.8
55.01869	11.3
55.05513	29.8
57.03442	22.8
57.07078	43.5
58.76654	2.7
59.05016	4.0
61.33738	2.7
65.03960	2.9
67.05502	52.9
68.31567	2.6
69.03421	4.8
69.07066	27.3
70.13197	6.2
70.13597	5.7
70.77081	2.8
71.04979	10.3
71.08611	5.4
78.77007	3.4
79.05500	37.9
81.03403	7.2
81.07061	65.0
81.35255	3.1
83.04984	15.4
83.08611	12.2
85.02906	4.6
85.06554	11.4
85.10189	78.4
91.05491	39.7
93.07058	40.5
95.04980	28.9
95.08615	55.0
97.06528	12.3
97.10158	9.4
99.08105	6.9
100.84198	3.1
101.09651	5.0
105.07043	37.0
107.04951	16.6
107.08611	30.3
109.06533	16.2
109.10151	23.4
111.08067	5.7
113.08903	6.2
113.09656	100.0
113.10445	6.1
117.07038	9.1
119.08590	22.8
121.06528	4.0
121.10143	21.3
123.08102	23.1
123.11714	5.9
125.09607	6.1
128.06383	2.9
129.07022	10.1
131.08591	26.0
133.06427	3.9
133.10164	24.6
135.08078	7.2
135.11716	9.9
137.09622	7.6
142.07787	4.4
143.08533	10.3
145.10168	17.0
147.08032	3.8
147.11678	25.9
149.09624	29.5
149.13290	3.3
151.11214	9.2
153.12643	3.4
155.08539	4.9
155.10678	7.5
156.09367	5.0
157.10074	15.4
159.11688	7.2
161.09592	8.5
161.13300	5.8
163.11179	10.6
165.12770	82.4
167.08641	3.7
169.10168	4.0
171.11693	11.4
173.09546	4.3
173.13254	4.6
175.11154	12.0
175.14944	4.3
179.14287	9.0
181.12280	3.5
182.10876	3.2
183.11708	5.1
185.09668	4.1
185.13226	3.7
187.11212	3.7
187.13248	8.2
189.12808	8.0
197.13376	4.6
207.11801	4.5
207.13780	7.4
209.13303	5.8
211.14874	4.0
213.12726	3.8
215.14406	5.3
221.13252	5.5
223.14844	4.3
225.16451	3.9
231.20940	3.6
241.19429	5.1
249.22237	3.9
259.20480	6.2
277.21637	70.3
286.19244	3.7
293.19193	6.0
295.22656	16.8
303.72009	3.2
311.20270	3.8
351.25702	40.1
369.26254	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01869	14.1
55.05281	3.6
55.05520	51.8
57.03444	16.4
57.07079	7.6
66.29733	3.3
67.05509	95.9
69.03428	8.0
69.07076	36.5
69.23103	7.3
69.23515	26.0
71.04992	7.6
71.08637	77.4
79.05499	65.0
81.03436	18.2
81.03815	3.1
81.07060	89.7
83.04986	14.6
83.08622	28.4
85.06534	7.2
91.05479	48.1
93.07053	73.1
95.04983	22.9
95.08614	62.6
97.06550	17.4
97.10173	23.1
98.21463	7.0
99.08100	63.6
105.07046	46.6
107.04951	9.1
107.08598	47.6
109.06508	10.6
109.10166	30.5
111.08096	10.9
117.07026	12.3
117.09119	3.2
119.08593	35.8
119.54862	3.0
121.06559	5.3
121.10151	25.3
122.30021	3.0
123.08138	6.6
123.11707	7.3
125.09626	15.3
129.06984	8.5
131.08600	18.0
133.10144	23.1
135.08075	6.6
135.11693	28.0
137.09636	6.5
137.13338	3.9
139.11191	3.2
141.09177	3.3
143.08559	7.7
145.10114	24.5
147.11713	25.6
149.09607	3.4
149.13254	14.2
151.07513	7.8
151.11192	75.3
153.09193	3.7
157.10144	8.4
159.11705	8.9
161.13281	26.6
163.11226	25.8
165.12767	10.2
171.10240	3.3
171.11714	7.8
173.11783	31.8
173.13223	7.0
175.14818	6.1
177.16399	3.3
179.14323	23.5
183.11705	3.4
185.13304	6.3
189.11203	17.2
189.12788	9.7
193.15956	5.2
195.13905	6.1
199.14931	3.9
207.13902	5.0
209.12946	3.5
227.12743	24.6
231.21188	4.3
241.19542	12.2
245.13828	10.4
253.18008	19.1
259.20459	18.4
269.17493	11.1
277.21661	94.8
295.22784	6.0
351.25461	100.0
369.26132	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	369.2428
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03949	5.5
54.32055	4.5
55.01870	11.2
55.05518	33.8
57.03455	5.8
57.07076	22.0
59.05009	7.5
61.38477	4.2
67.05180	6.3
67.05511	64.4
69.03423	10.0
69.07072	27.7
69.07373	4.1
69.41528	30.4
71.05009	26.6
71.08641	12.5
79.05502	40.1
81.07058	54.1
83.04986	17.2
83.08627	24.4
85.02888	4.6
85.06537	28.5
85.10182	5.3
88.64090	4.6
91.05491	59.5
93.07053	55.6
95.04979	100.0
95.08612	61.8
97.01128	5.1
97.06535	35.5
97.10203	5.5
99.08079	8.8
103.05473	5.3
105.07035	67.3
107.08599	65.6
109.06522	27.3
109.10153	40.6
111.08105	14.0
113.06009	9.1
113.09623	7.8
115.05436	9.5
117.06997	25.3
119.08588	68.1
121.06541	13.4
121.10143	42.2
123.08071	22.6
123.11708	6.5
125.09634	8.1
128.06232	10.5
129.07002	16.5
130.07791	5.1
131.08568	61.7
133.10135	46.0
135.08063	34.8
135.11687	16.8
137.06017	7.4
137.09625	22.5
142.07831	14.1
143.08571	49.9
145.06520	7.5
145.10141	48.2
147.08093	28.0
147.11653	35.0
149.09673	30.5
151.07523	10.2
151.11224	14.8
155.08556	14.6
155.10649	11.4
156.09355	15.6
157.10135	53.6
158.10880	5.7
159.08067	13.1
159.11691	32.9
161.09624	39.7
161.13284	17.8
163.11192	8.1
167.08670	11.6
169.10124	22.5
170.10974	13.1
171.11678	42.2
173.09621	23.5
173.13284	18.5
175.11253	18.3
175.14932	7.9
177.09094	9.0
177.12811	7.3
179.08588	12.7
180.09372	6.0
181.10121	18.1
182.11017	12.7
183.11784	25.3
185.09570	7.4
185.13248	28.3
187.11220	12.9
187.14833	5.3
189.12766	25.3
191.14355	5.8
193.10129	10.2
195.11746	26.6
196.12442	6.9
197.13242	27.4
199.11156	7.8
199.14799	13.7
201.12758	9.6
203.14326	21.7
207.11746	21.0
207.13734	9.7
209.13184	28.3
210.14099	5.7
211.11153	10.6
211.14757	14.9
213.12700	18.1
213.16367	5.5
214.18086	8.9
215.14334	16.6
221.13394	8.9
221.15388	11.6
223.14894	14.5
225.12843	9.0
225.16437	11.5
227.14297	8.2
229.15863	6.3
231.13853	5.4
233.15381	10.5
235.14951	14.8
239.17950	6.2
241.15889	14.0
241.19585	6.4
249.16470	11.8
251.18027	10.7
253.15909	12.6
255.17554	6.0
265.15823	9.5
267.17438	14.6
269.15240	9.6
269.19009	13.0
275.17966	9.4
277.21677	34.6
283.20676	11.1
291.20856	7.6
293.19034	16.2
295.17017	7.5
295.22647	16.6
309.22031	13.5
311.20029	17.4
333.22202	22.9
351.23013	45.0
369.20746	16.3
369.24347	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	5.2
55.05514	6.8
57.03448	4.0
57.07085	0.8
59.57544	0.6
66.35036	0.7
67.05505	8.4
69.03423	0.8
69.07071	7.3
71.04991	0.9
71.08635	1.5
71.52354	0.7
74.32767	0.7
79.05496	8.9
81.07060	29.2
83.05004	3.5
83.08634	3.3
85.06554	0.8
91.05492	5.5
93.07053	7.5
95.04983	2.0
95.08612	8.9
97.06530	3.3
105.07038	6.8
107.08601	6.0
109.06520	10.6
109.10155	5.1
111.03714	1.1
111.04455	16.1
111.08041	1.6
117.07028	1.9
119.08607	6.3
121.06466	0.8
121.10134	4.9
123.08082	2.4
123.11702	2.2
125.06013	6.9
125.09608	1.2
127.03935	0.7
128.06245	0.7
129.07018	1.4
131.08609	3.9
133.06516	0.7
133.10150	6.4
135.08072	3.7
135.11707	5.7
137.05984	100.0
137.09598	2.2
137.13248	2.1
138.06271	0.9
139.07567	0.7
143.08524	1.9
145.10143	2.8
147.08052	2.4
147.11713	7.3
149.09598	4.7
149.13257	1.8
151.07565	3.2
151.11169	1.5
157.10103	2.1
159.11720	2.0
160.08855	0.8
161.09653	6.2
161.13293	2.8
163.11203	3.3
163.14842	0.9
165.09138	2.4
165.12808	1.1
167.10669	1.0
169.10194	0.7
171.07930	0.7
171.11707	1.5
175.11188	5.8
177.12802	1.1
179.10658	2.4
181.12239	1.2
189.12845	0.8
197.13327	1.1
203.17978	6.0
205.19531	0.7
207.06573	0.8
213.16434	2.4
221.19046	2.2
223.14836	1.0
231.17453	8.4
241.15872	1.5
249.18523	12.7
277.18015	76.0
278.18317	1.4
295.19022	10.8
351.21564	12.9
351.25253	1.1
357.79468	0.8
369.22580	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.01868	1.7
55.05507	2.4
57.03435	2.1
59.05013	1.3
61.02923	2.1
66.20076	0.7
67.05493	2.6
69.03146	0.7
69.03439	8.4
69.07060	2.7
69.74064	3.7
70.06591	1.5
71.04981	1.6
72.08167	1.4
77.03912	0.7
79.05474	3.7
81.03416	3.6
81.07064	5.0
83.04987	5.9
84.08088	0.7
85.02908	9.6
86.09723	1.6
87.04449	0.8
91.03984	0.8
91.05489	7.4
93.07042	6.2
95.04968	3.2
95.08598	4.9
97.02916	5.1
97.06538	2.7
97.82185	0.8
99.04434	0.9
103.05470	1.1
105.07040	20.0
106.27823	0.6
107.04963	2.1
107.08588	6.6
109.02888	1.5
109.06543	3.3
109.10120	1.5
111.08098	2.2
115.05531	0.9
117.07031	2.3
118.97947	0.7
119.04968	4.4
119.08589	11.2
120.08124	0.9
121.06514	4.0
121.10151	4.5
123.08086	4.8
123.11716	0.7
127.03927	2.6
128.06213	1.4
129.06970	1.1
130.07817	1.1
131.08545	3.3
133.06551	3.5
133.10101	5.3
135.04445	0.7
135.08052	2.1
135.11691	2.9
137.05992	1.5
137.09622	5.2
139.07544	1.0
143.08563	2.6
144.09372	0.8
145.04930	0.9
145.06490	1.7
145.10130	7.9
146.50722	0.7
147.04410	2.4
147.08096	5.0
147.11691	9.3
148.11830	0.6
149.09608	2.5
151.07542	2.6
156.09404	3.4
159.08012	1.3
159.11717	6.2
160.08815	1.6
161.09612	5.7
161.13246	4.4
163.11200	22.8
165.12778	1.1
167.07095	1.6
171.11670	5.8
173.05945	0.7
174.10420	0.7
175.03903	3.6
175.07439	0.7
175.11197	1.4
176.11931	1.2
177.12766	21.0
181.04932	1.4
183.28801	0.7
189.05530	1.1
189.12759	9.0
191.14313	2.3
193.12292	1.4
195.59869	0.7
201.05397	3.4
207.06540	4.8
207.13817	100.0
208.14211	0.8
217.12207	1.7
217.16173	0.7
233.05858	0.9
253.14398	0.9
263.07120	1.0
265.04770	0.9
277.08633	0.9
308.06729	2.2
309.07574	1.0
309.11194	1.2
322.08453	0.9
323.09494	0.8
333.24933	0.6
337.10760	2.0
351.11417	0.8
369.09628	4.3
369.14056	2.6
369.24841	1.0
387.72867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05512	5.7
57.03439	4.6
59.04998	3.1
61.02922	5.1
67.05510	3.6
69.03435	20.2
70.06586	5.4
70.83927	4.3
71.04995	4.4
72.10106	2.4
73.02901	3.4
74.06039	2.3
79.05486	7.9
81.03399	7.1
81.07040	5.4
83.04968	7.1
84.08138	2.8
84.46333	2.1
85.02911	43.8
86.09742	2.5
86.59293	2.0
91.05493	7.8
93.07051	7.9
95.04980	5.2
95.08618	4.2
97.02882	15.8
99.04469	2.4
105.07038	19.5
107.08607	14.0
109.02882	13.0
109.06506	3.7
109.10142	5.9
115.23656	1.9
117.07042	2.8
119.04935	4.8
119.08573	16.4
120.08054	3.1
121.06519	5.8
121.10133	10.9
123.08072	9.7
123.11723	7.8
123.91238	2.0
127.03897	7.3
129.06972	2.8
131.08597	5.7
133.06496	23.8
133.10127	21.0
135.08043	6.2
137.09621	7.9
143.08563	3.1
145.04959	11.4
145.10120	8.5
147.08064	6.5
147.11668	12.0
149.09633	49.6
151.11195	41.1
156.09355	5.7
159.08070	6.4
161.09624	8.4
161.13290	9.0
163.11194	24.9
165.12857	3.1
171.11736	9.9
173.13254	4.5
174.10410	33.0
179.10709	3.4
184.37192	2.4
187.11208	3.6
189.12756	100.0
191.14322	28.8
205.07036	2.5
207.06514	3.0
207.13820	79.9
235.13060	2.9
289.60168	2.2
369.19156	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.14707	1.3
53.41443	1.2
55.01872	3.2
55.05501	4.3
57.03438	3.9
61.02919	4.6
66.55176	1.4
67.05499	3.0
69.03426	18.2
69.07067	4.0
71.04993	2.9
71.15559	2.0
71.94975	1.4
72.08138	3.5
73.02921	4.0
79.05497	12.7
81.03413	5.4
81.07042	6.1
83.05000	8.3
83.08614	2.3
84.08163	2.1
85.02917	18.7
86.09717	2.2
87.04464	2.3
91.03952	5.7
91.05494	10.3
93.07045	6.2
95.04965	4.1
95.08595	4.7
97.02895	10.9
97.06528	2.6
99.04459	2.1
103.05476	3.7
105.07046	13.2
107.04967	2.6
107.08603	9.7
109.02879	2.4
109.06512	4.1
117.07038	2.0
119.04906	3.3
119.08596	8.6
120.08084	2.4
121.06504	11.9
121.10135	6.0
123.08059	7.1
127.03938	5.6
129.07027	2.4
131.08575	5.5
133.06503	100.0
133.10190	6.5
135.08089	7.2
137.05962	3.3
137.09628	2.3
143.08536	3.6
145.04936	6.2
145.10141	4.8
147.04390	1.8
147.08044	3.9
147.11688	5.5
149.09645	4.7
151.07555	3.6
158.10875	2.2
159.08061	7.2
159.11696	2.1
161.09615	3.9
161.13229	4.1
163.11188	16.6
167.07072	4.4
171.11702	3.0
173.13213	4.9
174.10426	10.7
175.03934	5.1
189.05499	1.9
189.12761	47.5
191.14319	47.9
203.80495	1.5
207.06631	7.5
207.13820	48.2
208.05301	2.9
221.09283	2.0
243.13637	1.8
247.07579	2.5
277.08630	1.8
291.10065	1.7
292.07153	1.5
293.08090	1.6
315.08658	5.2
337.10825	2.2
339.12216	1.9
351.11545	3.0
352.14212	2.1
369.13031	8.7
369.24530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05117	0.9
52.42381	0.8
55.01873	2.8
55.05512	2.5
57.03428	2.4
59.05004	1.0
61.02922	2.8
65.03946	1.2
67.05503	3.0
69.03435	8.6
69.07066	2.4
70.06602	2.9
71.05000	1.9
71.51910	1.3
72.08162	1.3
73.02958	1.0
79.05513	4.6
81.03426	4.3
81.07061	4.5
83.04987	6.5
83.08636	1.4
84.08154	1.5
85.02913	12.3
85.06554	1.5
86.09707	1.8
91.05494	8.7
93.07043	7.1
95.04967	2.7
95.08612	5.2
97.02904	4.7
97.06522	2.9
99.04447	1.6
103.05480	1.1
104.07160	1.2
105.07033	17.2
107.04958	2.7
107.08601	7.1
109.02900	2.5
109.06528	3.2
109.10184	1.9
111.08096	2.3
117.07033	3.0
119.04964	4.5
119.08581	11.0
120.08135	1.1
121.05759	0.9
121.06545	3.8
121.10149	4.7
123.08052	5.7
125.06052	1.4
127.03969	3.2
128.06233	1.0
129.07037	1.5
131.08580	3.1
133.06493	3.6
133.10147	4.0
134.41231	1.0
135.08072	3.9
135.11696	1.9
137.06015	2.2
137.09634	5.2
139.07568	1.3
142.07663	1.0
143.08577	3.9
145.04991	1.5
145.06544	1.3
145.10115	7.8
147.04378	4.4
147.08078	4.6
147.11687	9.4
149.09682	1.2
151.07596	2.6
155.15627	1.0
156.09331	2.7
157.10165	1.4
159.11707	6.7
160.08850	1.7
161.09604	6.1
161.13261	3.2
163.11197	20.3
165.12851	1.2
167.07005	2.0
171.11711	4.8
174.10486	1.7
175.03867	5.4
175.11221	1.9
176.74567	1.0
177.12740	19.4
181.04939	1.1
189.05424	1.0
189.12750	9.3
191.14302	2.5
193.12259	1.6
201.05560	6.1
207.06511	8.5
207.13812	100.0
217.12222	2.0
265.04935	1.7
276.07803	1.3
277.08737	1.3
293.04370	1.0
308.06696	2.3
323.09424	1.1
325.21814	1.2
337.10690	2.6
351.10815	2.3
369.09656	5.7
369.14456	4.3
369.19333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30034	0.7
54.01325	0.6
54.30511	0.7
56.96571	3.6
61.02920	1.5
65.82251	0.6
68.99760	0.6
70.06597	0.9
70.98148	1.1
71.51643	0.9
73.02924	0.8
84.08205	0.7
85.02907	1.7
86.09712	100.0
97.02886	0.9
98.97588	4.9
110.07201	0.8
110.97575	1.1
116.98676	0.9
117.01896	1.6
117.51875	0.6
118.01053	0.7
126.02609	0.8
127.01573	0.8
127.29312	0.7
132.10213	70.9
146.99783	0.8
150.99797	0.7
154.00301	0.9
158.99637	0.6
161.02817	0.7
161.98254	0.6
163.03947	0.7
167.01050	1.0
169.00835	0.7
172.94412	1.5
172.97673	1.5
174.97754	1.3
175.00812	1.0
186.99132	0.7
189.02373	0.7
189.53429	1.1
190.98796	0.8
196.01340	2.8
204.04051	0.8
205.01910	1.6
211.01686	1.0
214.95416	2.8
218.48317	0.8
226.02357	1.7
230.53709	0.9
231.00259	0.8
232.96512	2.7
235.02974	1.4
237.02815	0.6
241.02899	0.9
249.01402	1.8
250.03459	0.8
250.97540	1.5
274.26132	0.7
302.98828	2.0
311.19501	0.7
328.03824	0.7
346.04858	4.1
347.60126	0.7
364.06042	1.2
388.00470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01871	5.5
56.43060	0.8
57.03442	5.6
59.24020	0.7
61.02924	7.4
61.87715	0.8
62.99553	0.8
68.99796	2.0
69.03433	36.1
70.96478	1.6
71.05005	4.6
73.02921	4.9
81.03426	22.8
84.08157	0.8
85.02910	100.0
87.00834	47.5
87.46354	0.7
91.03953	1.9
95.08591	0.7
97.02895	33.2
99.04456	14.3
99.05032	1.2
105.01871	82.6
106.17249	0.8
108.04483	2.6
109.02135	1.4
109.02885	28.7
117.01849	1.9
127.03925	76.4
129.01884	3.9
129.02841	0.6
145.04967	37.1
147.02928	2.9
159.02911	13.8
189.03969	4.2
211.13336	1.0
213.04050	3.0
219.66280	0.8
231.05008	27.3
243.48665	0.7
248.07764	1.1
249.06090	7.6
308.22260	3.6
357.71320	0.8
368.24243	3.7
389.80826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01868	3.3
55.05498	2.0
57.03438	7.5
57.07103	1.7
59.04999	1.7
61.02927	1.9
67.05499	4.4
69.03434	41.8
69.07073	9.5
70.06611	2.2
71.01371	2.0
71.04988	9.3
71.52467	2.4
72.08147	1.9
73.02936	2.3
79.05498	3.8
81.03424	30.7
81.07078	4.4
83.01340	1.9
83.08625	2.8
85.02908	56.0
86.09763	2.4
87.00830	27.1
87.04469	5.6
88.59429	1.8
91.05476	3.8
93.07064	3.5
94.07333	1.6
95.08636	4.5
97.02898	76.3
99.04462	29.8
101.02380	2.2
105.01879	24.4
105.07091	4.1
107.08611	2.2
109.02885	10.9
111.04428	1.8
111.11714	4.6
119.08598	2.0
121.06532	2.3
123.04443	1.6
127.03921	100.0
130.06599	2.5
132.08098	2.6
135.11746	2.4
143.08603	1.6
145.04968	74.3
153.12758	10.4
159.09209	4.0
161.06010	2.1
166.08757	2.1
171.02853	1.7
171.13786	19.9
185.15776	1.7
206.10764	1.7
213.03978	3.4
220.05376	2.1
231.04987	61.2
236.16696	2.1
249.06075	29.1
251.06639	2.5
318.22653	1.8
340.08969	3.6
368.08423	5.1
368.15128	6.2
368.24323	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
54.86866	1.6
55.01867	2.6
55.05512	21.9
57.03419	2.1
57.07057	6.5
57.26794	1.7
59.04986	2.7
61.15371	1.6
64.73824	1.6
65.03931	4.1
67.05183	2.7
67.05507	37.4
69.03421	5.5
69.07070	19.7
71.04984	8.0
77.03923	2.8
79.05497	35.4
81.06599	3.5
81.07058	52.8
83.04960	7.1
83.08627	11.0
85.06553	4.9
91.04912	2.2
91.05483	62.3
93.07047	78.1
93.25128	1.9
93.51748	1.6
95.04970	33.7
95.08605	57.7
97.06536	14.0
103.05486	3.4
105.04505	3.8
105.07032	87.4
107.04974	3.1
107.08597	63.0
109.06502	12.4
109.09470	3.2
109.10157	40.3
111.08078	2.1
115.05459	5.1
116.06235	3.5
117.07028	17.9
119.05043	2.2
119.08583	100.0
121.06481	8.3
121.09341	3.6
121.10150	51.6
123.08051	5.0
123.11685	13.5
128.06213	12.1
129.07031	16.6
130.07779	9.6
131.07616	3.6
131.08575	55.8
132.09341	2.8
133.06494	3.5
133.10132	59.6
135.08051	19.1
135.11707	18.6
137.09650	9.0
137.13251	2.1
139.11215	2.5
141.06955	5.9
141.52641	1.9
142.07794	19.4
143.08566	44.3
144.09346	11.0
145.06450	3.2
145.10127	67.1
146.07243	6.3
147.08047	9.7
147.11705	21.9
149.09613	14.8
149.13249	3.9
151.11185	2.4
153.06987	2.8
154.07820	2.8
155.08543	12.3
156.09381	14.0
157.10136	48.2
158.10870	7.6
159.08026	6.8
159.10468	3.4
159.11694	38.7
160.12428	1.9
161.09624	42.2
161.13252	7.1
163.11176	6.3
165.07005	3.3
167.08560	8.8
168.09389	3.9
169.10120	20.4
170.10953	9.4
171.11693	27.0
172.12480	4.2
173.09644	7.1
173.13272	24.3
175.11227	9.2
175.14799	18.6
179.08534	7.0
180.09286	2.5
181.10074	11.4
182.10802	3.4
183.08136	2.4
183.11722	19.9
184.12383	4.6
185.09613	3.8
185.13277	13.6
187.11185	4.5
187.14842	13.0
189.12778	2.9
189.16260	3.7
191.14342	3.3
193.10049	4.6
194.10892	10.7
195.11678	13.9
196.12415	4.2
197.13268	15.6
199.11067	1.9
199.14758	13.6
200.15584	1.9
201.12762	5.3
201.16351	6.8
205.10110	1.7
205.15796	2.8
206.10941	3.3
207.11702	5.2
209.13242	22.2
211.14799	10.2
213.12744	5.1
213.16365	4.9
215.14162	2.4
217.16010	3.1
219.11676	2.3
221.13203	2.7
223.14781	4.7
225.12811	3.3
225.16342	5.9
227.14386	17.5
227.17931	2.4
229.15863	2.6
237.16342	3.2
239.17906	7.5
241.15977	2.3
241.19565	2.1
251.17915	3.8
253.19662	2.0
255.17377	8.0
257.18961	4.2
265.19485	7.3
266.20209	2.7
267.17487	5.1
269.19077	5.7
293.18863	4.3
349.25238	11.5
367.26398	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	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01871	0.5
57.03444	0.5
61.02922	0.7
61.30182	0.2
61.90841	0.3
65.72795	0.2
69.03432	2.1
70.95769	0.6
71.92918	0.2
81.03414	1.2
85.02910	5.5
87.04474	0.5
97.02901	1.9
99.04475	0.3
109.02850	0.6
123.39502	0.2
127.03921	1.2
132.04449	6.2
132.98787	0.3
145.04980	1.5
160.03966	0.9
178.05003	59.3
179.05382	0.6
188.03355	0.5
188.91644	0.2
206.04492	100.0
207.04810	1.3
368.09604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21325	3.2
53.03945	5.1
55.01881	29.2
55.05513	65.5
57.03439	31.9
57.07068	4.9
58.21642	3.1
62.03760	3.2
65.03929	5.7
67.05510	97.0
69.03428	7.0
69.07071	47.4
70.10082	11.3
71.04992	7.3
73.17186	3.2
77.78973	3.1
79.05499	85.1
81.03430	6.0
81.07063	78.8
83.04991	41.0
83.08623	45.3
85.02908	10.4
85.06554	8.1
91.05486	58.6
93.07047	82.3
95.04974	55.2
95.08604	60.8
97.06560	18.0
97.10157	16.3
98.97611	3.8
99.04456	23.0
99.08080	5.0
105.07034	49.1
107.04945	18.7
107.08600	74.8
109.06525	10.7
109.10148	28.6
111.04447	40.1
111.08089	14.8
117.07033	20.5
119.08576	42.3
121.06531	9.5
121.10143	46.4
123.08056	8.2
123.11712	7.0
125.09655	21.3
129.07004	4.3
130.71494	3.4
131.08551	32.7
133.10133	32.0
135.08067	7.1
135.11720	24.6
137.09613	9.4
139.07582	3.3
139.11176	7.8
142.30368	2.9
143.08589	8.7
145.10138	38.2
147.08035	5.4
147.11664	20.3
149.01285	3.5
149.09631	46.5
149.13286	5.1
151.11154	7.4
153.12730	8.0
157.10153	6.2
159.11723	20.4
161.09605	4.0
161.13280	14.9
163.11209	39.6
165.12766	7.1
167.10591	4.1
169.68480	3.2
171.11670	4.3
173.13280	7.0
175.14836	6.4
177.12764	5.3
181.12279	10.0
183.13991	4.2
185.13234	5.8
187.11162	6.5
189.11232	13.8
197.13261	4.4
203.14270	6.3
205.12289	10.6
219.17514	6.2
222.69260	3.8
223.13300	63.7
227.12686	4.9
228.82611	3.7
229.19649	4.7
237.15083	4.2
239.17950	10.3
255.21088	7.8
257.18942	20.9
259.58820	3.3
275.20071	100.0
293.21097	35.5
349.23846	17.9
358.16464	7.8
358.66388	5.2
367.11801	4.0
367.25098	50.7
367.33499	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.9
55.05504	28.3
57.07067	12.1
58.49923	6.6
59.05005	6.4
61.60605	5.4
63.21937	5.8
65.03955	6.5
66.75339	6.2
67.05511	49.6
69.07064	18.2
71.05023	7.1
71.53333	6.5
71.90407	6.1
72.85955	6.3
77.36994	6.5
77.82543	5.8
78.92947	7.0
79.05506	37.5
81.07066	59.1
83.08556	8.2
85.06543	29.2
85.15289	6.3
91.05485	71.4
93.07044	87.3
95.04958	29.8
95.08605	61.6
97.06536	19.0
103.05497	5.8
105.07043	100.0
107.08611	44.8
109.06524	14.2
109.10169	46.3
115.05458	12.4
117.07035	23.5
119.08588	96.8
121.06445	10.5
121.10156	58.6
123.08029	8.0
123.11685	13.0
125.09701	6.7
128.06197	6.6
129.07011	17.3
130.07828	6.8
131.08606	55.4
133.10165	55.9
135.08051	18.3
135.11671	17.7
137.09660	13.3
142.07790	13.8
143.08580	40.7
144.09338	16.5
145.10124	72.9
146.07234	8.4
147.08011	7.7
147.11684	25.0
149.09651	15.4
149.13199	6.2
154.07924	6.9
155.08575	17.2
156.09409	11.1
157.10133	46.8
159.08125	7.5
159.11661	27.6
161.09676	35.5
169.10156	20.0
171.11687	28.6
173.13272	25.1
175.11253	9.4
175.14862	16.7
179.08572	14.9
181.10147	12.3
183.11665	25.1
184.12650	9.2
185.13304	12.5
187.14810	22.1
195.11693	15.0
196.12444	8.7
197.13168	12.2
199.14816	16.8
201.16396	7.9
209.13269	18.8
211.14784	15.0
223.14882	6.9
227.14311	15.1
265.19324	7.8
349.25381	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01856	5.9
55.05514	25.0
57.03450	5.3
57.07069	6.7
59.04991	9.0
62.99554	4.2
67.05249	4.2
67.05507	49.0
69.03435	9.0
69.07071	30.7
71.04985	10.4
71.52589	4.0
71.52940	5.0
79.05495	37.5
81.07055	51.5
83.04951	5.7
83.08614	14.8
85.06542	23.2
91.05485	62.7
93.07050	83.2
95.04961	32.7
95.08595	64.4
97.06516	18.8
103.05472	4.4
105.07034	92.9
107.04959	4.8
107.08590	65.0
107.66279	4.4
109.06508	17.6
109.10157	57.9
111.08064	7.9
115.05434	8.6
117.07058	23.3
119.08587	100.0
121.06480	12.2
121.09452	5.4
121.10148	53.2
123.08086	8.8
123.11709	21.1
128.06244	11.9
129.06999	26.9
130.07779	10.3
131.08585	65.4
133.10135	79.2
135.08029	13.6
135.11656	21.6
137.09616	9.8
141.06985	8.2
142.07788	23.6
143.08582	34.5
144.09332	13.4
145.09064	6.2
145.10127	65.6
147.08006	12.7
147.11697	21.8
149.09662	21.1
149.13329	5.3
153.06958	5.9
155.08620	9.3
156.09329	16.8
157.10155	50.1
158.10951	8.4
159.11717	41.4
159.59610	4.4
161.09608	50.1
161.13237	10.9
163.11197	5.5
165.06886	7.0
167.08565	9.7
168.09277	4.4
169.10130	20.3
171.11659	30.9
172.12543	6.4
173.09628	8.8
173.13231	27.8
175.11180	11.8
175.13507	4.2
175.14813	28.5
179.08539	11.6
181.10129	8.8
182.10860	5.0
183.11717	24.2
184.12343	6.0
185.13213	21.6
187.11093	6.6
187.14812	19.6
189.12715	6.6
193.10107	5.8
194.10924	6.8
195.11676	12.5
197.13365	23.3
198.14003	5.3
199.14885	12.0
201.16373	10.3
207.11795	5.8
209.13216	31.7
211.14787	9.5
213.12788	6.4
213.16319	8.3
221.13280	7.0
223.14839	7.9
227.14333	20.2
251.17952	4.9
255.17432	5.0
271.20499	5.6
349.25211	12.5
367.26352	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01871	13.3
55.05520	24.0
57.03444	14.9
57.07065	2.8
59.80574	1.4
65.03967	1.9
65.96043	1.2
67.05511	60.4
68.63084	1.3
69.02497	1.3
69.03429	9.0
69.06730	2.2
69.07072	26.2
71.05003	5.1
71.52527	1.1
71.52893	2.1
75.04517	1.3
78.07401	1.2
79.05499	55.1
81.03429	4.0
81.07063	100.0
83.04989	10.4
83.08627	16.6
85.06548	5.8
91.05490	42.8
92.05817	1.3
93.07056	43.3
95.04973	13.2
95.08616	40.5
97.06541	15.7
97.10178	5.8
99.08106	3.8
103.04008	1.3
103.05504	1.8
105.07041	45.3
107.04965	13.3
107.08605	33.2
109.06526	13.3
109.10163	21.5
111.08118	6.6
113.06042	1.4
115.05486	1.6
117.07021	14.9
119.08591	41.0
121.06506	6.0
121.10147	18.1
123.08087	8.8
123.11716	9.4
125.09679	5.0
129.07063	5.4
131.08574	20.9
133.06534	2.0
133.10146	30.0
135.08017	7.7
135.11707	12.0
137.09630	5.9
141.07040	2.1
143.08617	3.8
145.10136	19.1
145.11200	2.2
147.08090	1.7
147.11705	21.9
149.09613	11.9
149.13222	7.5
151.11160	6.4
155.08591	2.7
157.10187	7.0
159.08182	1.4
159.11716	13.9
161.09656	3.0
161.13330	4.8
163.11230	8.6
163.14899	1.8
165.12772	6.4
169.10239	3.5
171.10277	2.6
171.11717	4.1
173.11829	1.8
173.13272	6.0
175.11241	4.1
175.14822	1.4
177.12767	3.1
183.11790	3.1
185.13297	1.4
187.11249	2.1
187.14867	1.8
189.11250	2.9
189.16367	1.5
192.49158	1.3
193.12256	2.8
195.13832	3.4
197.13266	2.3
199.14957	1.7
227.12737	1.5
229.19609	5.2
235.17061	2.1
239.18074	4.1
247.20612	7.6
257.18961	9.6
263.20163	2.9
265.21960	1.7
267.16052	2.5
269.17438	8.1
275.20087	76.6
276.20337	2.1
285.17169	1.5
293.21243	7.2
309.20715	2.3
311.22357	1.6
321.24408	1.6
334.49258	1.2
349.23767	29.9
367.24918	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	367.248
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03887	2.0
53.04125	0.8
55.01812	4.1
55.05451	19.2
55.05749	1.9
57.03378	5.7
57.07041	0.9
59.04943	1.0
65.03886	1.0
67.05440	16.1
68.51169	0.5
69.03359	2.4
69.07003	20.2
70.06360	0.5
70.06689	2.3
71.04939	1.2
71.08563	24.1
71.08999	1.5
79.05496	14.8
81.03423	3.2
81.07059	16.6
83.04977	3.3
83.08622	5.8
85.06487	1.1
91.05483	6.7
93.07047	10.0
95.04972	4.3
95.08614	8.5
97.02848	0.6
97.06459	1.6
97.10174	9.5
98.20839	0.6
99.08098	18.8
105.07027	5.7
107.04977	2.7
107.08604	8.7
108.05679	0.5
109.06435	1.7
109.10157	7.4
111.04361	0.5
111.08061	0.9
111.11679	0.5
115.05406	0.6
117.07023	3.1
119.08604	3.9
121.06535	2.7
121.10149	4.3
123.08031	1.0
123.11668	1.3
125.09646	7.1
129.06958	1.1
131.08574	2.5
133.10141	3.9
135.08008	1.8
135.11617	2.2
137.09601	1.0
139.11197	2.5
143.08516	1.3
145.10056	2.4
147.11639	2.3
149.09550	1.3
149.13194	2.3
151.11148	1.8
155.08519	0.7
157.10046	1.2
159.11633	2.2
161.09581	0.7
161.13165	0.9
163.11079	1.6
163.14680	0.6
164.11964	0.7
165.12750	1.1
167.10690	3.7
169.10080	0.7
171.10201	0.7
171.11644	0.9
173.11789	0.9
173.13199	1.2
177.12746	2.6
179.10675	0.7
183.11615	0.9
184.54181	0.6
189.11179	4.0
191.14374	0.5
195.13774	0.6
211.15097	0.6
215.18030	0.7
227.12798	1.5
229.19405	1.0
247.14851	0.6
247.20587	1.5
265.21552	1.1
275.20081	8.9
277.21335	0.5
293.21115	100.0
294.21484	1.6
349.21631	0.6
349.23907	0.7
367.24854	38.0
367.33099	2.7
368.25031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01880	20.2
55.05515	40.0
56.91968	1.8
57.03194	1.9
57.03437	22.6
57.07069	5.1
65.03930	3.9
66.36205	1.6
67.05510	93.0
69.03419	7.6
69.07080	25.6
70.70421	3.9
70.70775	1.8
71.04996	8.9
71.08644	11.6
79.05496	56.5
81.03432	20.1
81.07061	100.0
83.04987	19.0
83.08623	20.1
85.02894	2.5
85.06550	10.5
85.10196	2.5
85.42772	1.7
90.65718	1.8
91.05489	78.4
93.06493	3.4
93.07053	50.9
95.04980	29.7
95.08611	45.6
95.52606	2.2
96.00941	1.6
97.02888	5.2
97.06516	12.4
97.10163	7.6
99.04433	2.5
99.08079	9.2
105.07039	64.5
107.04951	15.6
107.08604	50.6
109.06513	10.6
109.10168	55.3
111.04445	3.5
111.08092	7.3
113.06079	2.3
113.09589	3.2
117.07043	12.8
119.06092	1.9
119.08585	20.8
121.06512	8.4
121.10152	16.3
123.08070	13.1
123.11704	13.6
125.09628	15.7
128.06224	2.4
129.06996	4.2
131.08589	17.7
133.06494	3.5
133.10141	89.7
135.08037	6.4
135.11684	13.4
137.09584	17.4
143.08524	4.3
145.10123	15.0
147.07991	2.7
147.11722	12.1
149.09641	10.1
149.13217	4.0
151.11192	57.0
155.08501	2.0
157.10101	2.5
159.11723	9.2
161.09604	4.4
161.13286	3.8
163.11194	15.6
163.14832	4.1
165.09117	3.4
165.12798	4.5
169.10121	3.6
169.12256	8.0
171.11748	3.8
173.09633	5.3
173.13295	6.1
173.93410	1.9
175.11131	3.8
177.12770	7.2
179.10616	3.2
181.12199	2.3
183.10196	2.4
183.11719	3.1
187.11189	2.4
187.14751	2.8
189.59473	1.8
191.10645	2.9
191.14351	3.8
193.12317	5.7
195.13861	6.1
205.12320	2.7
209.11823	3.0
223.13313	2.2
229.19574	5.7
229.26842	1.8
239.17908	2.3
247.20610	9.4
253.14418	9.8
257.18961	5.3
275.20093	53.4
293.21094	13.6
349.23752	11.9
367.11673	2.7
367.24823	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03940	2.1
55.01862	3.2
55.05272	1.8
55.05517	20.1
56.12598	0.9
57.03448	7.5
57.07074	1.4
58.54847	1.0
64.84518	1.1
67.05511	19.3
67.22076	0.9
69.03425	3.1
69.07076	18.4
69.41185	5.2
69.41592	1.5
69.53652	1.0
71.05004	2.1
71.08640	35.5
79.05499	15.8
81.03428	8.8
81.07068	18.0
83.05003	5.4
83.08639	8.2
91.05480	9.5
93.07044	12.0
95.04971	6.3
95.08625	8.2
97.06517	2.0
97.10168	9.3
97.83074	0.9
99.08102	26.9
103.03972	1.1
105.07041	5.4
106.68893	1.1
107.04972	1.7
107.08614	9.7
109.06502	2.1
109.10172	5.6
111.08084	1.5
117.07018	2.9
119.08576	4.9
121.06521	2.8
121.10156	3.8
123.08080	1.4
123.11737	1.4
125.09669	8.0
131.08572	3.5
133.06502	1.2
133.10179	4.6
135.08040	1.4
135.11719	3.4
139.11128	1.3
145.10143	3.0
147.11688	1.9
149.09668	2.1
149.13272	2.6
151.11171	2.7
153.09167	1.6
159.11737	2.1
161.13312	1.0
163.11206	2.0
164.11931	1.2
167.10706	4.0
171.11668	1.4
173.11755	1.3
177.12802	3.1
182.84637	1.0
189.11255	6.2
193.12238	1.6
195.13850	1.8
205.19606	1.4
227.61818	1.1
247.20590	1.6
257.18994	1.3
265.21411	1.7
275.20090	10.2
293.21133	100.0
349.23889	1.8
350.26770	1.5
367.24866	43.4
368.25098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97994	0.9
53.03939	1.9
55.01875	4.1
55.05515	20.9
57.03439	5.7
57.07078	2.0
67.05507	18.4
69.03437	2.7
69.06739	1.4
69.07080	16.7
71.05000	1.4
71.08635	37.2
79.05068	1.5
79.05498	15.7
81.03422	7.8
81.07059	18.6
83.04988	3.8
83.08632	7.9
85.06577	1.0
91.05483	8.5
93.07041	11.0
95.04959	5.7
95.08614	9.0
97.06536	1.4
97.10166	13.0
99.08098	26.1
105.07038	5.6
107.04980	2.2
107.08604	8.9
109.06539	2.9
109.10176	6.0
111.04462	1.2
111.08096	2.7
117.07049	3.3
119.08599	4.5
121.06528	3.3
121.10159	4.2
123.08054	2.2
123.11758	1.9
125.09637	8.1
131.08591	3.8
133.10156	3.8
135.08060	2.6
135.11714	1.6
139.11195	2.0
143.08542	1.2
145.10184	2.3
147.08095	1.1
147.11696	2.1
149.09633	1.4
149.13268	1.9
151.11234	2.0
153.09105	1.5
155.08556	1.1
157.10120	1.9
159.11699	3.1
167.10693	2.6
169.10251	1.0
173.11852	1.2
173.13220	1.3
175.11147	1.1
177.12778	4.2
179.10547	1.1
189.11266	7.0
193.12297	2.1
195.13799	1.7
205.19662	1.4
247.20557	1.3
275.20090	10.4
285.94012	0.9
293.21130	100.0
294.21442	2.0
349.24304	1.0
350.27002	1.3
367.24869	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
53.34460	1.6
55.01879	16.0
55.05513	31.3
57.03441	15.1
59.04993	2.1
67.05511	57.5
68.96965	1.8
69.03428	5.2
69.07076	30.7
70.45033	6.0
71.05017	3.1
71.82158	1.8
78.03296	1.9
79.05495	45.3
81.03413	5.2
81.07059	100.0
83.04973	10.0
83.08627	15.0
85.06535	7.7
91.05487	42.7
93.07048	47.4
95.04980	10.2
95.08606	39.1
97.06532	17.6
97.10199	10.1
98.20763	2.3
99.08093	3.7
103.04766	1.9
105.07038	42.5
107.04947	11.3
107.08600	39.6
109.06528	12.6
109.10168	22.5
111.08044	4.3
117.07010	14.4
119.08596	32.0
119.09403	3.6
121.06480	5.1
121.10147	17.2
123.08080	6.6
123.11731	9.1
125.09677	9.1
129.07016	4.2
129.49100	1.6
130.60426	1.7
131.08554	16.9
133.06511	2.3
133.10149	24.9
135.08061	8.0
135.11691	11.6
137.09590	5.8
139.07478	2.0
143.08574	3.4
145.10133	22.1
147.08136	2.4
147.11697	22.6
149.09671	15.0
149.13232	5.5
151.11208	5.8
157.08913	2.0
157.10161	6.3
159.11678	13.3
161.13275	4.9
163.11136	10.1
165.12738	5.5
169.10118	3.1
171.10260	3.8
171.11670	4.0
173.13226	6.2
175.11214	3.2
177.12799	4.1
183.11682	3.7
189.11177	3.5
194.15604	2.0
195.13873	2.7
197.13263	2.3
205.12224	2.9
227.12727	3.9
229.19441	3.0
239.17984	3.6
245.13829	2.0
247.20636	6.1
251.20078	2.8
253.17989	3.3
257.19104	12.5
269.17462	4.7
275.20081	73.7
293.21091	6.2
309.20731	2.7
349.23727	33.4
367.24890	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03935	3.3
55.01877	6.4
55.05515	18.4
56.52626	0.7
57.03442	14.6
57.07076	1.2
65.03957	1.9
67.05509	44.2
67.13251	0.6
69.03441	2.2
69.07075	30.6
70.79689	0.8
71.04991	3.3
71.08635	1.8
71.25458	1.1
79.05499	35.0
81.03423	3.8
81.07062	100.0
83.04993	5.6
83.08632	11.2
85.06551	3.1
86.08704	0.7
89.55782	0.8
91.05488	29.3
93.07052	27.9
95.04977	9.0
95.08615	29.7
97.06536	9.8
97.10154	1.9
99.08095	3.8
103.05473	0.9
105.04528	1.1
105.07038	26.2
107.04961	6.9
107.08606	17.5
109.06531	15.2
109.10164	11.0
111.04397	0.9
111.08085	4.0
113.06034	0.9
117.07009	6.6
119.08591	20.6
121.06538	3.9
121.10156	13.6
123.08088	8.1
123.11707	8.7
125.09663	3.0
127.07551	1.1
129.07034	3.1
131.08594	10.7
133.06491	1.2
133.10132	14.4
135.08081	3.8
135.11707	6.9
136.28470	0.7
137.05994	0.9
137.09651	4.0
137.13298	1.0
141.06987	0.9
142.07832	0.9
143.08527	1.4
144.19016	0.7
145.10124	9.5
147.08112	1.6
147.11699	22.6
147.12811	1.6
149.09630	6.9
149.13280	7.4
151.11206	2.9
155.08614	1.3
157.10182	3.2
159.11693	8.0
161.09604	1.5
161.13228	3.7
163.11212	6.6
163.14877	1.9
165.12744	6.9
167.14392	1.0
169.10233	1.3
171.11705	1.5
173.09636	1.0
173.11992	0.9
173.13257	4.4
175.11182	3.4
177.12798	3.3
179.14322	1.6
183.11700	2.2
185.13254	0.9
187.11278	1.0
187.14919	1.3
189.12782	1.1
191.14313	1.0
193.12244	2.6
195.13846	2.6
197.13301	1.9
201.12799	1.3
201.16440	0.8
205.12262	1.2
219.13887	1.5
225.12837	0.8
229.04900	1.0
229.19551	2.4
239.18015	1.7
247.20650	3.0
257.19028	4.7
275.20065	36.3
293.21103	7.9
349.23856	8.6
367.24893	50.3
367.33575	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01633	1.7
55.01876	20.9
55.05276	2.0
55.05516	30.0
57.03440	11.5
57.07090	2.1
59.05005	2.4
64.05459	1.2
65.03933	2.4
67.05510	45.2
69.03435	4.6
69.06726	2.3
69.07070	21.0
70.56556	1.4
70.56898	4.2
71.04987	4.6
71.08620	3.8
79.05497	44.1
81.03425	5.8
81.07063	51.6
83.04981	13.6
83.08622	20.0
85.02888	4.5
85.06539	1.9
91.05482	28.3
93.03301	1.5
93.07050	41.8
95.04974	28.0
95.08614	29.7
97.05913	2.6
97.06530	20.1
97.10168	12.1
98.21528	1.3
99.04449	3.7
99.08072	4.0
102.83867	1.3
105.07040	32.3
107.04969	22.1
107.08603	34.6
109.06507	9.3
109.10166	16.6
111.04459	10.0
111.08088	7.9
113.06085	1.6
113.09598	1.7
117.07041	8.8
119.08591	24.3
121.06523	9.1
121.10147	18.0
123.08081	7.7
123.11697	7.7
125.09636	12.7
129.07042	4.2
131.08578	19.5
133.10141	18.4
135.08073	6.1
135.11716	11.9
137.09612	4.3
139.11188	3.1
141.07018	2.4
143.08594	4.0
145.06456	2.0
145.10127	25.5
147.08038	2.6
147.11687	12.8
149.09630	25.9
149.13289	4.1
151.11214	5.2
153.09102	2.1
153.12778	2.4
155.08586	2.1
157.10144	5.1
159.11693	13.0
161.09636	3.4
161.13268	6.2
163.11203	18.4
163.14958	1.7
165.12766	6.5
167.10677	1.9
169.10162	2.5
169.12303	1.5
171.10199	3.4
171.11661	2.7
173.09616	2.0
173.11841	2.6
173.13290	6.1
175.11183	2.6
177.12790	7.9
181.12299	1.9
183.11722	2.1
183.83917	1.6
185.13219	2.4
187.11191	2.1
187.14803	1.9
189.11237	11.4
191.14340	3.8
193.12245	2.8
195.13782	3.1
197.13254	3.5
199.14787	1.5
199.29115	1.6
201.12775	1.8
205.12254	4.0
215.14264	2.1
215.17957	3.2
219.13873	1.9
223.13289	14.7
227.12817	7.2
229.19519	3.7
233.18985	1.6
239.18001	4.9
247.20538	7.5
251.20056	2.2
257.19113	11.2
259.22379	1.6
265.21616	2.0
267.16013	4.4
275.20078	100.0
293.21078	26.2
311.22058	2.0
346.38052	1.3
349.23795	35.7
367.12067	4.0
367.24866	46.5
367.29507	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01871	5.6
55.05505	6.2
57.03441	15.6
61.02919	10.4
67.05489	4.7
69.03432	66.0
69.07082	3.5
69.50616	9.2
69.51043	10.3
70.06585	10.6
71.04996	3.0
72.08156	5.5
73.02917	9.1
79.05495	7.5
81.03415	15.3
81.07056	6.5
83.04973	15.9
84.04498	3.1
84.08154	5.8
85.02913	63.4
86.09712	8.1
87.04475	3.9
89.06024	4.0
91.05490	17.1
91.55437	2.6
93.07041	28.2
95.04961	5.8
95.08575	4.2
97.02892	13.6
99.04454	12.4
105.07043	11.1
107.08570	13.8
109.02874	8.9
109.06527	10.0
111.04443	8.8
117.07024	7.7
119.08584	21.0
120.08111	4.1
121.06518	42.7
121.10145	7.3
122.06025	3.7
123.08060	4.8
127.03918	43.9
129.05482	6.9
131.08548	5.8
133.10048	5.6
135.04366	3.0
135.08046	13.9
135.11705	5.6
136.07584	8.3
137.05951	3.3
137.09636	4.4
143.03394	4.3
145.04938	23.1
145.06506	4.8
145.10152	7.3
147.07997	6.8
147.11723	4.6
149.05992	16.6
149.09615	14.7
150.05530	3.1
151.11217	5.2
157.10214	4.4
159.08047	4.4
159.11716	17.6
160.07578	2.7
161.09621	11.6
163.07489	3.3
163.10056	2.7
163.11130	14.7
165.09087	4.1
166.05084	4.2
169.12219	4.7
171.06548	8.9
175.07541	4.4
175.11209	7.1
177.09143	15.0
177.12753	47.4
179.10712	9.6
184.07549	5.3
186.09143	4.1
187.11162	9.4
187.13397	4.1
189.07600	9.2
189.12759	3.6
191.06927	3.4
191.10686	20.7
197.16429	2.6
198.09148	10.3
200.07144	4.7
200.09384	3.3
201.10226	8.2
203.10715	9.6
205.12241	100.0
207.13823	3.7
212.07074	2.8
215.11754	8.5
217.09801	4.3
221.11655	4.9
223.13315	6.6
227.08186	7.7
228.06892	6.2
229.09830	16.7
229.11887	4.4
243.11301	26.7
245.09219	13.8
246.07893	4.5
253.09694	5.2
257.09222	12.4
271.10764	72.8
271.13483	5.7
278.05969	2.8
281.09177	8.8
287.10281	11.7
289.11615	5.7
289.14423	3.9
299.10245	31.6
301.14163	5.4
305.11157	4.3
317.11337	37.8
331.15567	5.7
335.12387	53.1
349.16782	3.3
367.08084	6.9
367.17737	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.1
53.03946	5.5
55.01879	16.2
55.05513	41.5
57.03445	20.8
57.07077	5.8
60.25189	1.8
61.02934	3.0
63.72050	1.7
65.03950	2.7
67.05511	74.2
69.03423	7.4
69.06692	2.0
69.07072	33.0
69.76428	9.4
71.05002	4.7
71.08642	27.3
79.05070	3.3
79.05499	44.4
81.03432	9.9
81.07060	67.0
83.05002	13.1
83.08620	17.7
85.02901	6.0
85.06532	8.5
86.05371	1.9
89.05711	1.8
91.03922	2.7
91.05490	44.5
93.07053	41.5
93.07641	2.9
95.04996	17.2
95.08613	34.4
97.02889	4.4
97.06543	8.3
97.10169	7.8
99.08098	19.6
105.04536	2.3
105.07036	43.4
107.04971	9.2
107.08605	38.7
109.06539	10.5
109.10169	41.0
111.04459	4.4
111.08109	6.8
117.07012	9.0
119.08603	22.5
121.06528	7.7
121.10135	12.9
123.08084	8.2
123.11729	8.7
125.09633	8.3
129.06973	3.7
131.08569	16.7
133.06558	2.0
133.10133	53.7
135.08058	5.6
135.11736	11.1
137.09624	9.8
139.11166	2.1
143.08562	5.0
145.10127	10.3
147.08081	2.7
147.11705	12.4
149.09631	12.2
149.13295	5.5
150.34489	1.7
151.11195	30.9
153.09094	2.0
153.12772	1.7
155.08607	3.6
157.10146	5.7
159.11725	6.8
161.09630	5.6
161.13255	3.7
163.11142	10.4
164.37807	1.8
165.12779	5.2
167.08650	1.9
167.10680	2.2
169.10138	2.3
169.12271	5.7
171.11708	3.2
173.09647	3.4
173.13284	6.0
175.11269	1.8
177.12776	5.8
181.12262	2.4
183.11708	3.4
183.25262	1.9
189.11243	4.8
193.12128	2.1
195.13762	3.7
209.11775	4.4
215.12904	2.4
223.13284	2.5
247.20410	4.0
251.81194	1.9
253.14294	9.7
257.19019	4.6
265.21649	2.8
267.15927	3.8
275.20071	49.6
293.21133	100.0
349.23843	8.3
367.24887	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05502	2.4
56.05030	2.1
56.96575	1.1
60.04523	5.0
61.01149	1.6
67.05507	1.3
69.03422	3.0
69.07050	1.0
70.06600	9.8
70.53455	3.5
70.89182	1.1
72.08154	4.4
73.02903	1.1
77.42498	1.0
81.03413	1.8
83.08626	6.1
84.04505	5.5
84.08158	7.1
85.02905	10.3
86.09723	5.5
87.00842	2.0
87.04428	1.2
88.03992	7.3
91.05488	3.3
94.02937	1.2
95.06098	1.3
97.02884	2.0
100.03971	3.5
101.09653	4.4
102.05549	8.5
102.11372	1.2
103.03960	1.8
104.05334	1.8
105.01860	3.0
105.07053	1.3
109.02911	1.4
110.07167	1.3
111.28496	1.0
115.05428	2.4
117.05764	1.6
117.07036	2.5
118.06544	43.1
120.06573	7.3
120.08096	3.8
122.07112	1.2
126.05527	1.5
127.03954	2.8
129.10204	2.6
130.04985	2.4
130.06561	3.5
131.06903	3.3
132.08095	21.7
133.10037	1.3
136.07549	1.6
142.06488	3.5
143.07318	4.2
144.08093	26.3
145.04973	2.0
145.06470	1.5
146.04575	5.3
146.06015	98.6
148.06071	1.8
158.08397	9.3
160.07602	2.8
162.07582	3.7
163.03914	2.8
164.07079	1.2
170.06033	10.9
172.07663	1.6
177.09097	1.4
180.08672	32.5
182.06326	1.8
182.08006	1.1
184.07584	2.4
188.07076	100.0
189.07410	1.2
190.07117	8.9
190.08612	1.3
191.07045	3.1
191.08702	1.1
198.09096	1.7
200.07063	2.0
201.10301	1.8
215.11852	3.3
217.09740	2.2
218.06560	1.5
227.08282	1.1
228.06783	2.9
229.09700	5.0
230.08170	1.4
236.07648	12.8
243.11282	7.0
245.09280	2.3
246.05432	1.1
246.07883	2.8
250.06418	1.4
271.10809	16.7
278.05743	1.3
281.09225	2.1
281.15033	2.0
287.10339	2.5
289.11804	4.6
299.10260	6.3
305.11453	2.6
307.13010	2.8
317.11313	11.0
321.14374	12.3
335.12344	11.7
339.08701	1.9
367.07858	4.4
367.15027	44.7
367.19440	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01855	5.3
57.03447	6.0
57.03681	1.5
57.07074	2.5
61.02921	6.9
68.99776	3.3
69.03430	42.7
70.06567	2.6
70.76602	1.7
70.76929	2.9
71.04979	5.4
73.02911	3.4
78.62865	1.3
79.05493	1.9
81.03421	18.1
82.82983	1.2
83.39111	1.2
84.08141	1.9
85.02905	100.0
86.09697	3.0
87.00831	55.3
87.04435	2.0
91.05478	1.8
95.08553	1.7
97.02895	26.8
97.50606	1.4
99.04475	9.8
101.02329	1.4
103.53185	1.3
104.16493	1.2
105.01866	77.5
109.02891	20.4
111.04393	1.6
115.76508	1.2
116.52150	1.4
117.01808	1.3
119.10688	3.8
120.08086	4.4
121.06473	1.3
121.08433	3.6
126.36806	1.3
127.03915	60.1
129.01805	2.6
136.06209	2.1
137.05876	1.5
140.38026	1.1
143.08582	1.5
145.04973	19.1
147.02858	2.1
153.05435	2.9
155.06941	1.4
159.02884	3.9
159.11694	1.5
163.09668	1.6
189.03897	2.0
207.11253	4.4
208.11562	4.4
213.04033	1.6
220.33366	1.3
231.05035	15.1
249.06013	1.6
317.18195	1.3
335.09296	1.4
339.08521	3.1
367.08099	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	366.1775
Annotation	isopentenyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
55.05486	0.4
56.05030	0.3
57.03428	0.5
60.04530	4.7
61.02934	0.6
67.05495	1.0
69.03435	2.8
69.07069	6.2
69.07412	0.2
70.06318	0.2
70.06596	2.4
70.21629	0.4
70.22025	0.5
71.04981	0.3
72.08146	0.8
73.02920	0.3
76.03999	0.4
79.05508	0.6
81.03428	1.2
81.07046	1.1
83.04970	0.3
84.04488	0.4
84.08141	0.9
85.02905	3.0
86.09705	3.2
87.04485	0.4
91.05499	0.7
93.07021	0.5
95.04960	0.4
95.08603	0.7
97.02892	1.1
99.04390	0.3
103.05405	0.2
107.08607	0.5
108.08068	0.3
109.02872	0.4
109.06506	0.3
109.10149	0.3
110.07167	0.4
115.08728	0.5
117.07056	0.3
119.03568	0.8
120.08099	2.8
121.10152	0.3
127.03941	0.5
129.10197	0.3
130.06525	0.4
136.06187	100.0
137.04578	0.8
137.06532	0.4
139.37018	0.2
146.06007	0.5
147.06441	0.4
148.06171	3.7
169.12186	0.4
186.69946	0.2
189.07414	0.5
204.12453	68.7
205.12724	0.7
207.07724	1.5
207.11324	0.6
233.16467	0.7
235.10799	0.3
261.16006	0.3
283.41431	0.3
312.25357	0.3
314.65460	0.3
320.13419	0.3
323.12326	0.5
330.26328	0.7
342.42789	0.3
348.27432	1.6
366.17722	47.1
366.28012	3.7
367.18143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2028
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
50.83568	0.4
55.01897	0.3
55.05513	0.4
56.52594	0.3
60.04527	22.2
60.46960	0.3
67.05514	0.7
67.12428	0.3
69.03435	0.4
69.07072	0.7
69.97242	1.0
69.97649	0.5
70.02957	1.4
70.06596	0.7
72.04530	1.6
72.08149	0.5
79.05505	0.4
81.03420	0.6
81.07057	0.8
84.08157	0.5
85.02909	0.8
85.06542	0.8
86.09710	72.5
87.05595	16.6
87.06133	0.8
87.10041	0.5
88.99330	0.3
91.05480	1.1
92.05013	0.4
93.07045	0.9
95.08600	0.6
95.24937	0.3
99.08109	0.4
103.05461	0.8
105.01900	0.4
105.07066	0.6
107.04964	0.9
107.08595	0.9
109.10149	1.6
110.09689	0.7
118.06525	0.8
120.08110	28.8
121.06525	1.2
123.11725	0.4
126.09161	0.5
127.03924	0.3
128.10719	9.6
131.04869	0.5
133.10182	0.6
136.06187	2.3
137.06554	0.7
144.08083	0.4
149.05946	0.4
151.11197	1.1
156.10210	0.5
158.65649	0.3
162.09171	2.1
166.08652	15.4
169.12288	1.3
173.12865	100.0
174.13188	0.7
174.70079	0.3
175.01009	0.3
201.12350	31.5
202.37843	0.4
207.11296	4.5
216.82932	0.3
219.13513	0.5
230.15356	1.7
235.10806	1.2
242.41699	0.3
271.72070	0.3
279.17001	1.8
292.15768	0.8
292.19061	3.3
320.14777	0.7
322.20145	0.3
323.13705	0.3
366.15207	0.6
366.22989	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	366.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84245	0.9
55.05499	1.0
56.05035	1.0
56.96569	0.9
57.03450	1.7
59.15265	0.9
67.05505	1.8
69.03433	1.7
69.07070	2.0
69.72307	2.2
69.72708	4.4
71.04984	1.2
72.08151	1.4
73.16407	0.9
77.82627	1.1
79.05502	2.7
81.03403	1.7
81.07053	3.9
82.74050	1.0
85.02921	1.9
86.09712	62.7
91.05482	2.2
93.07048	3.9
95.06081	1.3
95.08600	2.5
97.02894	2.4
98.03223	1.1
103.05456	3.3
105.07043	3.0
107.04962	1.9
107.08611	1.6
109.10101	1.5
117.07061	1.3
120.08115	87.3
121.10165	1.3
123.04460	1.2
123.08089	1.1
128.10724	35.7
131.04962	2.2
131.08553	1.4
133.10124	0.9
137.06012	1.4
145.10136	1.4
146.10461	1.1
147.11641	1.4
149.06027	1.8
151.45584	1.0
152.05663	4.1
156.09016	1.5
156.10219	21.5
156.11476	1.3
159.11757	1.1
160.11934	1.2
162.33931	1.0
166.08652	100.0
167.08968	1.5
206.10303	2.3
274.23758	1.5
278.48846	1.1
288.86996	1.0
321.18042	3.1
337.44266	1.0
348.21088	1.0
365.43976	1.0
366.21448	3.4
366.28290	2.4
366.32495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64608	2.9
53.03953	4.3
55.01875	23.2
55.05512	4.2
65.03931	2.8
65.52148	2.5
67.05517	11.8
69.03425	19.1
69.53436	2.4
69.61894	4.3
69.62305	11.3
70.06598	5.5
70.46358	2.4
72.08144	3.8
79.05514	3.5
81.03490	3.3
81.04543	4.0
83.04984	8.6
84.04520	3.6
84.08144	3.7
85.02914	7.0
86.09742	3.4
87.04484	5.7
91.05479	2.8
95.01348	3.9
95.04968	32.1
98.97594	4.3
99.04469	19.1
101.02399	4.0
103.05476	5.8
105.07028	14.8
113.02372	7.9
115.05443	6.7
117.07059	3.9
118.06553	7.4
120.08111	22.4
121.08436	5.4
122.07182	15.7
123.03562	5.5
123.04429	57.5
123.07944	6.9
124.08656	3.4
127.03938	3.6
128.06236	4.1
129.06982	4.4
130.06526	7.1
131.04944	7.2
132.05731	4.5
132.08116	4.3
133.06512	11.2
135.07977	2.4
140.04701	9.4
141.05447	15.2
143.04945	3.1
144.05693	3.9
144.08109	7.5
145.06490	4.6
146.06039	10.6
147.08110	4.7
155.07008	24.8
156.05664	8.0
156.08046	3.2
157.06516	13.4
160.05293	5.2
160.07501	3.0
161.05952	20.5
162.03130	12.7
166.08653	11.6
167.07037	31.4
171.04300	2.8
172.05229	4.0
173.06013	6.0
175.07561	6.2
181.04854	13.6
182.06345	9.3
183.06543	74.0
185.06009	8.7
187.07495	4.2
188.04634	3.9
188.07109	8.5
189.05611	6.6
190.02567	16.5
191.07022	5.4
192.07915	5.4
198.09085	2.9
200.04790	4.4
201.05574	3.0
203.07080	3.5
205.08580	4.7
207.06592	4.8
208.03636	13.7
213.05536	12.3
216.04138	4.2
217.05075	3.1
217.08582	6.7
219.06598	7.5
221.08092	7.6
223.06027	100.0
226.14359	6.7
228.06889	10.6
229.04997	6.1
229.09698	16.3
230.05783	4.6
231.06537	9.6
233.08046	5.5
234.05243	4.1
244.15497	9.0
245.08098	19.8
246.08029	9.8
249.07611	28.4
252.12459	3.1
254.08134	2.8
257.04556	4.0
259.06073	4.4
261.07578	6.9
267.08640	3.4
271.10757	7.5
275.09207	8.4
276.12305	3.8
289.07028	18.2
299.10623	3.4
303.08698	3.5
317.11450	4.4
323.07672	8.8
332.11240	4.0
335.12439	4.4
349.09442	5.3
349.14151	10.6
367.10312	17.6
367.14508	4.8
368.13376	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
53.27595	1.0
55.01852	1.9
55.05511	3.2
55.14324	1.2
57.03441	6.8
57.03675	1.0
57.22669	1.0
61.02939	2.0
67.05506	2.3
69.03432	39.8
70.06566	1.2
71.01357	1.6
71.04989	9.0
72.08153	1.1
73.02941	1.9
81.03421	26.0
81.07061	2.6
81.15896	1.0
83.01363	2.6
83.04991	1.2
83.08624	2.5
84.08120	1.5
85.02909	45.4
86.09711	4.1
87.00833	29.3
87.04475	3.2
91.05482	2.4
91.07027	1.1
93.07075	2.4
97.02896	58.1
97.03530	2.9
98.20796	2.1
99.04462	21.6
101.02404	2.5
105.01870	21.6
105.07018	1.2
107.08595	1.6
109.02885	7.5
109.10185	1.9
115.03944	2.2
120.08132	2.7
121.06482	2.4
127.03922	100.0
136.06190	16.0
145.04965	68.3
146.97104	1.1
161.42319	1.2
166.08607	1.4
171.02934	2.6
173.12877	4.9
186.29863	1.2
201.12434	1.9
213.03963	2.8
213.77957	1.2
231.05005	57.8
249.06079	27.2
299.81296	1.6
304.13455	4.9
348.21570	1.8
348.30081	1.6
366.13452	1.9
366.21420	4.7
385.16718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01855	6.8
55.05515	25.5
57.03440	6.6
61.02920	6.1
67.88010	2.0
68.99794	2.9
69.03083	3.1
69.03433	38.0
70.86156	2.0
70.86481	2.5
71.04979	5.5
73.02910	6.6
81.03416	25.8
83.08632	18.0
85.02911	100.0
87.00836	50.9
97.02902	42.0
99.04456	12.3
105.01873	89.6
108.04481	4.0
109.02894	28.5
117.01833	4.2
127.03928	87.1
129.01825	2.4
136.06180	7.4
145.04971	48.8
159.02933	16.0
189.04002	3.6
213.03928	3.7
231.05029	25.4
248.07823	2.5
249.06027	13.4
366.21509	3.9
367.21640	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	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
53.39630	0.9
55.01870	5.6
55.05501	1.1
57.03424	4.2
60.04512	3.0
61.02945	6.3
62.29555	1.1
68.99774	1.9
69.03432	35.4
70.06599	2.1
71.04981	3.7
73.02908	5.1
77.10725	1.1
81.03419	18.2
83.04971	1.1
83.40786	1.2
84.08129	1.3
85.02910	100.0
86.09690	4.9
87.00835	47.7
87.04459	1.3
91.05493	2.1
93.07047	2.0
94.36475	1.1
95.08598	1.7
97.02895	30.2
99.04477	11.3
101.06023	1.1
105.01875	82.5
105.95554	1.3
108.04472	1.5
109.02891	29.2
120.08097	2.2
127.03928	64.2
128.10704	1.1
129.01804	2.3
136.06201	2.4
145.04970	31.4
147.02858	1.8
159.02881	10.0
173.12880	5.6
189.03957	2.5
201.12325	1.2
213.03926	5.1
231.05014	22.2
249.06087	13.5
249.26155	1.1
326.24707	1.4
331.13803	1.9
344.81491	1.1
366.28543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
56.05032	1.9
56.96300	1.0
56.96567	15.4
57.03437	1.3
59.07454	0.6
60.04514	1.0
61.02918	1.5
67.05497	1.0
69.03429	3.9
69.29588	1.7
69.29996	3.8
70.06602	3.8
70.98136	0.8
71.06115	3.7
72.04501	1.7
73.02909	2.0
74.00668	5.8
74.02441	2.4
75.02678	0.8
76.02236	4.7
77.00630	3.6
79.05458	0.7
80.86614	0.8
81.03416	0.9
83.06103	1.3
83.87257	0.7
84.04511	2.0
84.08128	2.9
84.96059	1.1
85.02914	6.1
85.06541	1.5
86.06068	16.8
86.09698	3.2
88.04011	3.7
88.11262	0.9
88.99106	0.8
95.05013	1.2
95.06100	7.0
97.02882	2.5
98.06061	3.9
98.97590	27.7
99.04497	0.8
99.97900	1.0
102.03771	19.4
109.02883	1.1
110.07172	1.6
110.09655	0.7
110.97582	4.0
112.07596	1.4
113.06005	1.9
113.60707	0.7
115.08703	5.2
116.98637	10.3
118.03247	17.9
119.04996	1.2
120.01173	54.3
120.08112	1.4
122.07185	0.9
124.07591	1.2
127.03939	1.2
128.05339	1.4
128.98595	5.1
130.03242	8.3
130.04988	1.7
130.08656	4.0
131.00172	0.8
131.48341	0.8
134.99629	2.4
140.98627	1.7
141.98842	0.8
142.08661	4.7
143.00208	1.2
144.04753	3.6
144.98038	0.9
145.04942	1.2
146.99681	3.3
147.04573	1.3
147.05875	42.1
148.04280	13.5
149.07428	1.7
156.03409	0.9
156.04802	2.5
158.98471	1.3
158.99669	12.8
160.00046	1.4
161.01233	0.9
162.02219	1.3
162.99113	0.9
163.03940	1.3
165.06895	3.7
166.05327	3.8
170.99660	1.1
173.07487	10.9
173.08925	1.5
173.12888	2.4
174.04369	1.6
175.25641	0.8
177.00735	10.9
178.01094	1.7
184.09653	2.2
185.01245	0.9
186.04427	2.4
189.00662	1.5
190.98466	0.9
191.04842	1.1
192.14958	9.9
201.00677	1.3
202.00685	0.8
202.98619	1.1
203.05313	0.8
203.99008	0.9
204.05455	2.1
207.07999	1.8
208.99805	1.6
219.01749	7.5
219.06082	1.0
219.07935	5.2
220.99599	1.2
221.99976	1.4
231.98529	0.9
236.10646	100.0
237.02773	7.0
237.10872	1.0
238.03278	1.5
243.05573	1.1
244.99763	1.4
246.00044	1.5
246.09079	1.0
255.03806	0.9
259.11282	1.4
263.00760	0.7
264.01175	0.9
276.01199	1.0
282.01120	1.1
303.07596	6.4
321.08685	4.2
322.05289	1.0
330.14636	0.8
348.15860	27.2
348.20111	1.3
366.07492	6.9
366.11179	2.0
366.16934	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03964	0.9
55.01888	0.8
55.05516	4.1
56.05866	0.4
57.07082	6.2
65.03940	0.7
65.11818	0.3
67.05506	8.1
67.05837	0.6
68.05847	1.0
69.03439	0.6
69.07066	4.0
71.05003	0.8
71.52993	0.3
71.53367	0.5
73.14877	0.3
73.17085	0.3
79.05507	4.3
80.05827	0.7
81.07058	7.7
82.07387	0.9
83.05014	1.2
83.08640	1.7
85.06543	3.7
91.05486	4.8
92.05823	0.5
93.07047	8.0
94.07417	0.9
95.04973	5.6
95.05486	0.5
95.08608	6.6
96.08920	0.6
96.75777	0.4
97.06569	1.4
97.10173	0.6
105.04552	0.4
105.07039	7.3
105.07687	0.6
107.08604	7.0
108.08942	0.5
109.06529	4.1
109.10162	3.0
111.08089	0.6
117.07072	1.7
119.08582	6.9
119.09365	0.5
121.06541	0.9
121.10150	3.1
122.10558	0.5
123.08060	4.0
123.11739	0.9
124.08896	1.6
125.06002	0.5
125.09672	0.4
127.93552	0.4
128.06279	1.1
129.07080	1.5
129.09630	0.3
130.07797	0.5
131.08565	3.7
133.10124	2.9
135.08055	2.6
135.11681	1.9
137.05974	1.1
137.09633	0.5
139.07539	0.5
141.07030	0.5
142.07790	2.3
143.08562	3.7
144.09424	1.2
145.06526	0.4
145.10118	5.3
147.08080	0.6
147.11754	1.6
149.09650	1.1
149.13278	0.4
151.07549	3.6
151.08536	0.4
151.11288	0.7
152.08339	6.2
152.09377	0.5
153.06981	0.5
155.08614	1.7
156.09367	2.3
157.10129	5.7
158.10966	0.4
159.11699	3.6
161.09695	1.2
161.13309	0.9
163.11281	0.5
165.07040	0.9
165.07695	0.5
165.09120	8.8
166.09976	0.5
167.08609	0.9
168.09459	0.4
169.10123	2.7
170.11002	1.5
171.11694	2.4
172.08826	0.7
173.09650	1.1
173.13361	1.5
175.11232	0.5
177.12820	0.7
178.07861	0.5
179.08670	1.3
179.10783	1.4
180.09460	0.7
181.10240	1.8
181.12300	0.6
182.11029	1.1
183.11696	3.3
184.12514	0.5
185.13277	4.1
187.11310	1.5
187.14896	1.5
189.12756	0.5
191.14355	0.4
192.09409	0.4
193.10234	1.3
194.11050	1.2
194.13136	4.1
195.11749	2.7
195.13431	0.4
196.12544	1.1
197.13251	2.6
199.11421	0.6
199.14946	0.8
201.13022	0.5
203.14384	0.7
205.15959	0.8
206.10989	1.0
207.11795	2.3
207.13910	1.9
208.12556	1.4
209.09799	0.7
209.13258	2.4
210.13995	0.7
211.11427	0.5
211.14980	1.4
213.12863	1.1
213.16362	0.4
215.14650	0.4
217.16064	0.5
219.11800	0.7
219.17508	0.4
220.12495	0.7
221.13368	1.5
221.15422	0.8
222.14133	0.8
223.14940	1.6
225.12909	0.9
225.16447	0.7
227.14406	0.7
233.13379	1.1
234.14130	0.6
235.12663	0.4
235.14915	1.3
235.16980	1.0
236.15733	0.8
237.16583	1.4
241.15944	0.6
247.14861	0.5
247.74239	0.4
249.16418	1.1
249.18704	1.1
251.18156	1.1
259.14764	0.5
263.17944	0.8
263.20251	4.2
265.15988	0.6
265.19647	0.7
267.17584	0.8
269.19153	0.7
289.19675	0.6
305.24979	1.0
306.25058	3.9
307.26477	0.6
309.18713	0.7
319.26563	1.1
329.22824	0.6
337.27954	0.5
347.26105	18.2
365.27075	100.0
365.32449	8.0
366.27380	2.7
366.33945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61821	3.2
55.05500	10.5
57.03436	3.5
57.07078	5.2
65.86700	3.3
67.05513	18.3
69.03418	7.8
69.07066	12.5
71.52684	3.7
72.17213	3.3
79.05492	18.7
81.07079	25.8
83.04963	4.6
83.08617	10.4
85.06567	3.8
91.05483	32.1
93.07065	44.2
95.04983	32.7
95.08614	15.8
97.06528	8.0
105.07040	46.3
107.08611	30.4
109.06498	12.3
109.10171	22.4
115.05473	4.8
116.06211	3.9
117.07014	13.8
119.06057	4.1
119.08600	43.9
121.10172	34.2
121.20068	3.5
123.08089	7.2
123.11755	4.1
128.06255	4.2
129.06964	9.6
130.07785	6.2
131.08582	35.1
133.10133	13.0
135.08051	6.5
135.11694	8.4
137.09663	7.6
142.07788	9.9
143.08563	28.0
144.09360	5.4
145.10123	36.1
147.08102	5.2
147.11670	13.7
149.09639	9.9
153.07039	6.2
155.08533	14.5
156.09329	12.1
157.10158	33.1
158.10887	4.6
159.08058	4.9
159.11725	17.6
161.09625	11.4
161.13257	5.4
165.06999	4.1
167.08554	7.8
169.10168	20.1
170.10860	7.9
171.11728	21.7
173.09666	8.3
173.13255	30.4
175.11192	7.3
179.08563	5.3
180.09349	5.1
180.63136	3.8
181.10132	12.8
182.10948	4.5
183.11720	17.3
185.13269	12.7
187.11163	9.9
191.14265	20.1
192.09338	4.6
193.10150	11.5
194.10930	6.3
195.11691	15.5
197.13251	15.0
198.13974	4.3
199.14850	5.1
201.12755	10.0
205.10165	6.1
206.10869	7.6
207.11749	21.0
208.12473	5.1
209.09685	3.9
209.13243	16.3
211.14789	11.8
213.12753	5.4
216.15126	5.1
219.11685	4.6
221.13234	11.8
223.11194	4.3
223.14806	12.8
225.12894	7.9
227.14267	4.8
229.15961	5.1
231.11571	4.7
233.13269	5.5
235.14882	8.2
236.15546	5.2
237.16362	7.1
247.14870	4.7
249.12671	3.8
249.16373	12.6
251.18042	4.4
253.15999	5.8
259.14679	4.2
263.17920	10.8
265.15942	5.7
267.17416	9.2
269.19052	7.0
273.16245	4.1
281.19049	6.0
282.19977	4.2
291.17157	5.2
347.23413	24.8
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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01880	2.5
55.05510	12.6
57.07063	5.3
59.05014	1.7
65.03938	3.0
65.68241	1.5
67.05181	2.3
67.05510	26.9
69.03417	2.7
69.07071	14.1
70.07426	1.5
71.04979	2.4
71.53052	2.3
79.05495	19.9
80.05805	2.1
81.07064	24.6
83.04960	1.8
83.08617	4.6
85.06545	4.1
88.41358	1.5
91.05482	29.2
93.07040	25.7
93.64893	1.5
95.04382	2.1
95.04977	39.0
95.08620	31.7
97.06528	4.1
103.11516	1.6
105.07041	34.1
107.04961	2.2
107.08604	28.0
109.06513	9.4
109.10166	14.5
114.46397	1.4
115.05466	1.9
117.07034	11.3
119.08588	35.6
121.06489	4.3
121.10149	12.4
123.08072	6.0
123.11690	3.6
128.06154	8.8
129.07022	9.9
130.07800	5.8
131.08595	23.5
133.10130	18.8
135.08063	11.5
135.11694	9.4
137.09595	2.1
141.07002	4.9
142.07803	10.4
143.08563	21.2
144.09357	9.7
145.10130	27.4
147.08070	6.0
147.11708	9.1
149.09657	2.2
153.07043	2.4
154.07806	2.8
155.08629	9.3
156.09370	11.6
157.10139	34.7
158.10913	5.6
159.08049	7.3
159.11700	30.5
161.09668	7.8
161.13304	5.3
165.07031	8.9
166.07846	2.3
167.08569	7.5
168.09309	4.0
169.10130	20.0
170.10913	10.7
171.08018	2.3
171.11688	24.3
172.08908	3.5
172.12497	3.4
173.09651	6.6
173.13292	9.5
175.11218	5.5
175.14842	1.9
179.08542	7.1
180.09305	5.1
181.10146	13.0
182.10948	8.1
183.11707	24.6
184.12503	4.8
185.09753	2.1
185.13271	17.3
187.11212	13.8
187.14816	13.4
189.12791	4.7
191.08659	2.3
191.14322	2.7
192.09389	4.4
193.10098	14.4
194.10965	6.9
195.11682	22.0
196.12479	7.2
197.09560	2.0
197.13258	16.1
199.11241	3.5
199.14850	7.2
201.12752	4.6
203.14282	3.8
205.10213	4.6
205.15898	6.4
206.10977	7.1
207.11743	19.0
208.12492	11.2
209.13264	24.6
210.10466	1.7
210.13930	4.0
211.11203	4.5
211.14790	8.2
213.12735	11.6
217.10229	2.2
217.15886	1.7
219.11693	6.9
220.12508	5.6
221.13252	17.7
222.13953	8.8
223.14819	20.4
225.12746	4.6
225.16405	5.9
227.14304	3.2
230.10934	2.6
231.11761	4.0
232.12637	2.3
233.13185	8.6
234.14122	6.0
235.14764	8.5
236.15588	5.2
237.07001	1.7
237.16397	15.1
238.17152	3.1
239.14259	3.7
239.17996	2.1
241.15903	5.7
245.13370	3.1
246.14102	2.5
247.14854	5.6
248.15594	3.6
249.16350	11.7
251.14366	1.9
251.17918	12.9
253.15898	3.2
255.17493	3.0
258.14072	2.4
259.14969	3.4
261.16318	3.7
263.17957	9.2
264.18726	4.4
265.15970	5.9
265.19522	3.0
267.17487	6.8
269.19022	6.3
273.16336	4.2
275.18008	4.7
277.15970	4.9
277.19510	5.7
281.19089	5.6
282.19769	3.6
289.19537	4.0
291.17416	5.8
291.20062	2.4
306.25153	7.3
309.18539	4.8
314.20245	2.9
317.19092	4.1
319.24155	3.7
329.22714	4.9
332.21301	1.8
347.23679	35.8
365.24780	100.0
365.31741	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	365.2476
Annotation	Quinestrol
Peak:m/z	Relative Intensity
50.84354	2.9
55.01864	4.3
55.05499	10.8
57.07071	4.7
61.42225	2.8
67.05508	30.5
69.03425	6.5
69.07053	13.5
69.92837	7.9
69.93256	5.6
71.04988	4.1
79.05492	19.8
81.03394	2.8
81.07064	30.8
83.04979	3.6
83.08613	4.9
85.06560	5.3
86.24538	2.5
86.43227	3.4
88.05612	2.8
88.63289	3.1
91.05494	25.8
93.07050	38.1
95.04971	32.4
95.08608	24.7
97.06538	3.8
98.21439	4.8
105.07047	52.1
107.08591	34.1
109.06531	6.7
109.10157	16.9
111.08117	2.8
115.05407	3.5
116.06219	3.6
117.07042	10.4
119.08591	40.7
121.06541	5.2
121.10143	29.0
123.08119	4.5
128.06203	9.1
129.07002	8.8
130.07767	5.0
131.08562	36.2
133.06491	3.1
133.10158	22.1
135.08078	8.1
135.11755	5.3
137.09599	4.9
142.07794	10.9
143.08583	30.3
144.09363	7.0
145.10135	38.6
147.08080	6.1
147.11708	12.9
147.59152	2.8
149.09631	11.9
153.07039	3.7
155.08583	15.8
156.09349	7.2
157.10181	31.5
158.10909	6.9
159.08122	5.4
159.11676	19.2
161.09639	12.4
161.13248	6.0
167.08595	9.9
168.09373	7.9
169.10121	18.7
170.10938	6.2
171.11703	21.0
173.13278	46.9
175.11220	6.5
179.08527	5.4
180.09329	4.0
181.10159	14.8
182.10928	8.3
183.11711	28.7
185.13255	9.7
187.11122	4.9
189.12823	6.2
191.14320	25.4
193.10112	18.3
195.11688	14.9
196.12552	5.6
197.13168	17.4
198.13977	3.8
199.11163	3.8
199.14763	7.6
201.12756	11.0
205.10245	4.0
206.10925	7.5
207.11742	16.0
208.12476	8.8
209.13231	15.0
210.10367	4.2
211.14870	8.3
213.12817	6.9
213.16676	2.7
215.14383	5.1
216.15038	4.9
219.11751	4.9
220.12521	5.8
221.13249	14.0
222.14006	6.2
223.11198	3.7
223.14856	10.5
225.12816	3.1
225.16406	3.8
233.13318	8.1
235.15005	5.0
237.16406	8.0
239.14330	3.6
239.18031	4.3
245.13239	4.5
247.14931	8.2
249.16452	15.1
251.18015	10.4
253.15955	6.6
255.17612	4.0
258.14096	3.9
261.16507	5.0
263.18051	11.8
265.15924	6.4
265.19675	4.0
267.17468	9.7
269.19034	3.9
271.14609	3.8
281.18997	5.7
291.17264	5.3
297.18549	4.3
319.24326	5.3
337.25186	3.8
347.23660	27.3
361.04221	3.0
365.10483	3.6
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	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61821	3.2
55.05500	10.5
57.03436	3.5
57.07078	5.2
65.86700	3.3
67.05513	18.3
69.03418	7.8
69.07066	12.5
71.52684	3.7
72.17213	3.3
79.05492	18.7
81.07079	25.8
83.04963	4.6
83.08617	10.4
85.06567	3.8
91.05483	32.1
93.07065	44.2
95.04983	32.7
95.08614	15.8
97.06528	8.0
105.07040	46.3
107.08611	30.4
109.06498	12.3
109.10171	22.4
115.05473	4.8
116.06211	3.9
117.07014	13.8
119.06057	4.1
119.08600	43.9
121.10172	34.2
121.20068	3.5
123.08089	7.2
123.11755	4.1
128.06255	4.2
129.06964	9.6
130.07785	6.2
131.08582	35.1
133.10133	13.0
135.08051	6.5
135.11694	8.4
137.09663	7.6
142.07788	9.9
143.08563	28.0
144.09360	5.4
145.10123	36.1
147.08102	5.2
147.11670	13.7
149.09639	9.9
153.07039	6.2
155.08533	14.5
156.09329	12.1
157.10158	33.1
158.10887	4.6
159.08058	4.9
159.11725	17.6
161.09625	11.4
161.13257	5.4
165.06999	4.1
167.08554	7.8
169.10168	20.1
170.10860	7.9
171.11728	21.7
173.09666	8.3
173.13255	30.4
175.11192	7.3
179.08563	5.3
180.09349	5.1
180.63136	3.8
181.10132	12.8
182.10948	4.5
183.11720	17.3
185.13269	12.7
187.11163	9.9
191.14265	20.1
192.09338	4.6
193.10150	11.5
194.10930	6.3
195.11691	15.5
197.13251	15.0
198.13974	4.3
199.14850	5.1
201.12755	10.0
205.10165	6.1
206.10869	7.6
207.11749	21.0
208.12473	5.1
209.09685	3.9
209.13243	16.3
211.14789	11.8
213.12753	5.4
216.15126	5.1
219.11685	4.6
221.13234	11.8
223.11194	4.3
223.14806	12.8
225.12894	7.9
227.14267	4.8
229.15961	5.1
231.11571	4.7
233.13269	5.5
235.14882	8.2
236.15546	5.2
237.16362	7.1
247.14870	4.7
249.12671	3.8
249.16373	12.6
251.18042	4.4
253.15999	5.8
259.14679	4.2
263.17920	10.8
265.15942	5.7
267.17416	9.2
269.19052	7.0
273.16245	4.1
281.19049	6.0
282.19977	4.2
291.17157	5.2
347.23413	24.8
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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01881	5.8
55.05511	8.1
56.96568	1.7
57.03442	44.8
57.07062	3.0
65.03938	2.5
67.05510	46.9
69.03422	3.0
69.07072	8.0
69.15369	3.5
69.15797	4.9
71.04999	4.5
79.05496	19.2
80.71323	0.7
81.03429	4.7
81.06600	1.3
81.07060	22.2
83.04964	2.6
83.08630	4.1
85.02888	1.3
85.06550	37.5
91.05496	16.2
92.05835	0.9
93.07056	17.6
95.04977	56.7
95.08618	11.5
95.22373	0.9
97.02860	1.7
97.06528	3.3
97.10178	1.6
98.20728	1.9
105.07043	16.1
107.04958	7.2
107.08611	12.0
109.06525	44.1
109.10155	4.6
111.08070	1.6
113.06014	100.0
115.05441	1.2
117.07037	10.0
119.08599	9.7
121.06493	5.3
121.10162	5.2
123.08048	3.8
123.11706	0.8
125.09634	2.2
128.06187	1.5
129.07033	5.6
131.08574	12.0
133.06488	2.3
133.10143	8.4
135.08061	32.3
135.11685	5.6
136.06204	1.1
137.09601	2.8
141.06961	1.4
142.07715	0.8
143.08560	6.6
145.10141	11.3
147.08061	4.6
147.11678	3.1
149.09592	4.7
149.13257	3.0
151.11218	1.4
155.08556	1.9
157.10165	5.0
159.08125	2.0
159.11711	5.0
161.09604	7.4
161.13278	2.0
163.11224	4.0
165.09155	0.8
169.09998	1.1
171.11681	3.9
173.13243	3.0
175.11194	3.0
177.12758	2.9
185.13235	1.9
187.11070	1.1
189.12805	1.4
189.16374	1.2
193.12259	1.4
195.11647	1.1
199.11180	2.4
199.14786	2.0
201.12730	1.9
212.96736	0.9
217.15915	12.7
219.13814	2.1
223.13297	1.2
227.17923	1.0
233.15413	1.5
237.16429	1.9
245.18996	3.2
255.17410	3.2
263.20099	1.2
273.18509	27.6
291.19562	42.1
307.19052	1.1
347.22205	2.6
365.19113	1.4
365.23248	23.0
365.27499	1.1
365.31992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01883	8.7
55.05269	2.3
55.05514	29.3
56.96563	4.0
57.03437	15.5
57.07069	3.5
65.03931	2.4
67.05505	43.4
69.03432	13.0
69.07071	41.6
71.04977	4.9
71.52212	2.9
72.27602	1.7
73.02949	2.0
79.05500	30.3
80.92564	1.7
81.03416	7.7
81.07063	37.9
83.04980	8.2
83.08627	11.0
85.02937	2.2
85.06561	2.4
91.05484	22.4
93.07053	23.5
95.04971	10.3
95.08624	16.9
97.02892	19.7
97.06521	3.3
97.10185	18.5
105.07049	20.7
107.04958	7.5
107.08602	21.3
109.06522	5.7
109.10158	16.4
111.08072	5.0
115.05462	2.3
117.07012	8.8
117.30375	1.6
119.04921	2.4
119.08601	16.8
121.06484	5.1
121.10139	11.1
123.08072	5.2
123.11702	2.0
125.09618	14.0
126.80434	1.7
128.06175	3.1
129.07008	5.6
131.08600	11.3
133.06502	2.0
133.10152	9.5
135.08067	7.7
135.11700	6.0
137.09628	4.3
143.08551	6.4
145.10120	8.5
147.08032	6.2
147.11674	5.0
149.09644	4.9
149.13258	3.1
153.09135	2.3
157.10112	7.3
159.11688	7.8
161.09633	5.4
161.13170	2.3
163.11188	2.3
165.09154	2.2
169.10138	2.0
171.11668	3.9
173.11861	2.6
173.13335	3.4
175.11172	2.6
177.00693	1.8
177.12808	2.5
185.13297	3.9
188.76338	1.7
189.11247	5.3
193.12230	2.3
199.14894	3.2
205.12260	2.3
223.13300	26.7
227.12761	2.9
245.19051	3.5
247.05864	1.8
249.14720	2.8
255.17500	3.6
267.09085	4.7
273.18503	27.5
284.12747	4.7
285.10129	7.0
291.19553	100.0
347.22260	4.4
365.15497	5.1
365.23203	81.1
365.31586	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.1
53.03947	2.6
53.66782	1.0
55.01881	7.3
55.05515	29.9
57.03444	11.5
59.04996	1.6
61.97029	0.9
65.03922	1.0
67.05510	34.8
69.03436	10.8
69.07073	45.1
70.24710	3.6
71.04985	4.3
71.83274	1.1
76.67680	1.0
79.05499	29.3
81.03418	7.6
81.07063	25.9
83.05002	6.3
83.08626	10.8
84.76978	1.0
85.02905	1.3
85.06537	1.5
91.05486	15.8
93.07055	20.1
94.04159	1.2
95.04969	9.6
95.08607	13.3
97.02901	19.0
97.06532	4.7
97.10175	18.1
103.05365	1.2
105.07040	13.9
107.01237	1.2
107.04961	6.7
107.08610	14.8
109.06523	4.3
109.10165	11.7
111.08080	1.8
117.07020	7.0
119.08591	13.3
121.06503	3.7
121.10149	4.9
123.04427	1.1
123.08060	5.1
123.11658	1.2
125.09634	14.3
128.06219	1.2
129.06976	2.5
131.08609	8.9
133.10126	6.5
135.08046	5.3
135.11684	4.1
137.09612	4.1
141.06943	1.2
143.08575	2.6
145.10167	7.3
147.08046	4.7
147.11670	4.5
149.09636	2.1
149.13266	2.5
150.61668	1.1
155.08540	1.3
157.10106	2.2
159.11711	3.4
161.09683	3.0
163.11172	2.2
165.09099	2.5
165.12657	1.1
175.11150	2.3
177.12698	1.8
187.11156	1.3
189.11263	8.9
195.13785	1.1
205.12253	3.2
223.13280	30.7
224.19966	1.3
227.12733	1.7
227.17947	1.6
241.41429	1.2
245.18994	1.6
249.14801	1.5
255.17207	1.6
263.20035	2.1
273.18576	14.3
291.19556	100.0
292.19803	1.3
347.12939	2.7
347.22171	2.5
365.23257	60.9
366.23703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01863	8.7
55.05518	30.7
56.96557	3.8
57.03432	12.0
67.05510	41.3
69.03432	14.2
69.07070	52.7
71.04987	4.5
71.52744	4.2
79.05502	36.7
81.03417	10.6
81.07058	38.4
83.04980	7.6
83.08621	12.5
85.02895	3.9
91.05491	27.1
93.07057	28.6
95.04958	11.1
95.08604	20.1
97.02898	13.1
97.06519	6.2
97.10165	18.3
98.21372	2.5
105.07023	14.5
107.04955	8.8
107.08591	21.3
109.02891	2.9
109.06532	6.1
109.10154	11.3
111.08056	4.1
117.07011	6.6
119.08620	19.0
121.06520	4.5
121.10150	8.8
123.08083	7.1
125.09644	16.0
129.07014	5.7
131.08582	11.2
133.06503	3.1
133.10143	12.6
135.08047	8.8
137.09598	3.9
145.06519	2.9
145.10170	7.6
147.08057	3.7
147.11710	7.6
157.10167	4.4
159.11726	6.7
161.09653	4.1
161.13271	4.2
165.09058	3.5
171.11691	3.0
173.13266	2.7
175.11212	3.0
189.11256	11.1
219.13153	2.9
223.13268	23.7
273.18549	21.2
291.19565	100.0
324.15948	3.2
347.13058	6.8
347.22202	4.3
365.23309	64.2
365.32855	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.7
55.01867	16.5
55.05513	29.5
56.18941	3.0
57.03439	26.4
57.07075	5.4
59.05000	13.1
65.03937	3.7
66.04733	3.2
67.05511	80.5
69.03426	10.3
69.07073	31.3
71.04996	4.7
71.52573	4.2
75.43138	3.3
77.89378	2.9
79.05499	65.0
81.03413	14.9
81.07056	88.2
83.01347	3.7
83.04989	22.8
83.08617	20.0
85.06579	7.7
91.05489	89.5
93.07047	64.9
95.04986	22.8
95.08605	34.4
97.02879	4.8
97.06548	12.4
97.10197	3.8
105.07041	68.5
107.04995	19.6
107.08597	58.9
109.06516	20.2
109.10165	48.0
111.04436	4.5
111.08083	7.1
117.07038	19.3
119.08585	24.8
119.23383	3.7
121.06502	11.7
121.10152	23.0
123.04437	5.4
123.08073	12.8
123.11701	10.9
125.06005	3.3
125.09641	4.8
129.05440	3.5
129.07016	7.8
131.08586	21.0
133.06549	15.7
133.10132	100.0
133.11111	6.9
135.08086	21.7
135.11699	10.2
137.05946	4.6
137.09651	5.7
139.07545	7.4
142.07855	3.4
143.08586	11.2
145.10164	13.6
147.08078	15.0
147.11685	6.3
149.09598	20.8
149.13190	5.5
151.11180	64.4
157.10118	10.1
159.08090	5.9
159.11707	7.9
161.09673	14.8
161.13261	4.8
163.11143	4.0
169.12202	7.1
171.11679	8.0
173.13318	4.2
175.11183	10.9
177.09178	8.5
179.10739	4.7
181.08371	4.5
183.11665	3.8
185.13322	4.2
189.12730	4.2
199.11217	6.5
215.12837	4.3
223.13358	4.0
245.19067	10.9
253.14377	59.3
263.20157	13.7
269.13647	4.0
273.18506	37.7
291.19556	42.6
347.22443	5.8
365.10730	6.1
365.16309	4.0
365.23242	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01881	10.3
55.05273	2.7
55.05517	33.7
57.03445	15.5
57.07059	2.7
59.04999	1.9
65.03943	2.6
67.05509	52.5
69.03431	12.6
69.07076	43.3
71.04984	5.3
71.25273	2.7
79.05496	46.7
81.03417	11.1
81.07061	53.2
83.04999	12.8
83.08623	14.5
91.05487	44.5
93.07053	42.2
95.04971	16.8
95.08617	20.4
97.02887	16.4
97.06533	7.4
97.10162	14.4
99.04493	2.1
103.05493	1.9
105.07045	36.2
107.04951	13.2
107.08608	31.4
109.02900	1.9
109.06511	6.8
109.10169	24.9
111.04384	2.3
111.08083	4.6
117.07013	12.7
119.04957	1.9
119.08587	22.2
121.06494	7.5
121.10123	11.8
122.01820	1.8
123.08086	7.2
123.11749	4.3
125.09646	12.1
129.07002	5.6
131.08588	15.5
133.06488	5.8
133.10136	34.1
135.08054	11.8
135.11693	6.6
137.09612	6.0
139.11200	1.9
143.08540	5.2
145.10121	12.4
147.08084	11.8
147.11699	5.5
149.09657	10.3
149.13254	2.1
151.11194	20.2
151.54323	2.0
155.08398	2.1
157.10126	5.8
159.08047	4.3
159.11713	6.3
161.09624	6.7
161.13229	2.7
163.11153	4.9
169.10219	1.7
169.12248	4.6
171.11707	3.0
175.11205	4.2
177.09192	4.0
177.12769	1.8
179.10695	3.1
185.13365	3.4
187.11165	2.6
189.11160	5.9
189.12709	3.3
191.10834	1.8
205.12271	3.1
223.13275	27.1
227.12869	2.5
245.18991	8.4
253.14427	11.6
255.17561	4.0
263.20102	7.1
269.13721	2.2
273.18524	29.5
291.19571	100.0
347.22305	4.8
365.10684	3.0
365.23257	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03939	2.0
55.01879	6.3
55.05513	9.9
56.96549	1.0
57.03443	8.6
57.07064	0.8
65.03933	2.1
67.05508	20.4
69.03423	2.7
69.07069	6.0
69.22966	8.5
71.04967	2.5
79.05498	22.2
81.03428	4.4
81.07062	44.1
83.04992	11.4
83.08617	3.8
85.02892	4.9
85.06539	2.2
91.05492	15.4
93.06486	1.4
93.07046	16.3
95.04978	9.5
95.08611	9.1
97.02846	0.9
97.06530	3.8
97.10166	3.1
98.21578	1.8
99.04462	2.7
105.03381	1.2
105.04443	1.1
105.07025	12.6
107.04964	5.1
107.08591	9.9
109.06524	12.7
109.10168	8.5
111.04449	12.8
111.08098	4.5
113.06004	3.3
117.07022	5.4
119.04973	1.0
119.08593	13.4
121.06500	5.8
121.10120	7.5
123.08045	4.2
123.11747	1.3
125.09623	3.7
129.07014	3.7
131.08566	7.5
133.06500	2.2
133.10161	8.5
135.08084	4.5
135.11691	7.0
137.09633	3.7
143.08568	3.4
145.06476	1.3
145.10126	7.9
147.08076	4.7
147.11705	3.2
149.01236	1.2
149.09605	3.4
151.11186	3.3
153.12776	4.6
155.08536	1.2
157.10162	3.9
159.08020	1.0
159.11700	2.6
161.09656	4.3
163.11227	6.6
165.09084	5.0
169.12273	0.8
171.11716	1.9
173.09740	1.9
175.11217	1.5
177.09132	1.0
177.12756	0.9
181.12265	5.5
183.10265	0.9
185.13255	1.7
187.11205	1.3
189.11182	2.2
191.10678	3.4
209.13335	1.2
217.12338	0.9
223.13313	2.4
227.12839	2.6
237.16570	1.4
245.19037	1.9
249.14861	2.1
253.14395	4.2
255.09100	1.0
255.17429	2.3
267.08972	1.3
273.18515	16.9
291.19568	29.4
347.22150	1.2
365.23047	100.0
366.23587	1.0
387.93246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87529	0.4
53.03931	0.5
55.05520	0.9
56.05042	0.9
57.16658	0.5
59.05008	0.5
60.04529	1.1
61.02929	1.0
62.06086	1.3
64.42931	0.5
67.05509	1.2
69.03438	1.0
69.07056	1.2
70.06594	7.7
71.04995	1.0
71.51091	0.5
71.51534	0.8
72.04517	0.8
72.08153	2.3
74.06082	0.6
74.87623	0.5
75.04485	1.4
79.05494	2.1
81.03424	1.6
81.07075	0.5
83.04970	0.8
84.04510	1.5
84.08154	2.9
85.02904	1.4
85.06544	1.0
86.02451	0.9
86.03252	0.5
86.09711	4.3
87.04478	0.6
88.03996	0.7
91.05485	2.5
91.41815	0.5
93.07050	1.4
95.04954	0.7
95.08627	0.8
95.42981	0.5
97.02879	0.8
97.06555	0.6
103.03917	1.1
105.07083	1.1
107.04991	0.5
107.08604	1.4
108.04479	2.1
108.08978	0.6
109.06534	2.6
109.10119	0.5
110.06062	0.5
110.06853	1.0
115.05478	2.2
116.07118	3.2
117.05780	2.5
117.07031	2.1
118.06547	34.9
119.06886	0.6
120.08102	2.8
121.08447	0.9
121.10143	1.1
122.02376	4.4
124.03943	0.5
125.09626	1.3
126.09949	1.0
129.10251	2.1
130.06499	3.8
131.03352	0.9
132.08096	35.2
136.06180	12.4
136.07626	1.1
137.06546	1.3
142.06516	2.8
143.07277	3.9
144.04456	0.9
144.06876	0.6
144.08089	32.1
146.06015	80.3
147.04335	0.6
147.06285	0.6
149.07384	0.7
149.09584	1.1
152.07118	1.1
154.06534	1.6
156.06837	0.8
158.08411	5.3
158.09671	0.8
160.07561	0.9
165.04221	0.6
166.05025	2.1
167.10667	1.4
168.06595	1.3
168.11008	1.9
169.12114	0.5
170.04486	4.7
170.06024	5.9
170.08209	1.6
171.09190	6.9
182.04501	3.3
185.05501	0.7
185.10226	0.5
185.11754	2.2
186.12099	2.6
188.07071	100.0
189.07462	1.2
196.06038	6.4
197.58218	0.5
204.12468	5.6
211.15196	1.1
216.04942	1.2
217.09737	4.4
221.12820	1.2
222.13184	2.1
231.10330	0.6
234.06096	0.8
234.13399	0.7
235.11186	0.9
235.13802	0.9
250.12555	0.7
257.46072	0.5
303.20129	0.6
319.12888	15.9
333.10977	3.5
335.14914	0.6
347.12299	0.7
347.22928	3.1
347.26376	0.9
359.93903	0.6
365.13614	6.5
366.17703	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	365.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52114	3.2
56.96570	17.4
61.04953	3.1
69.03409	4.0
69.86599	17.5
82.99796	3.9
97.02901	3.9
98.97563	24.2
101.00887	7.4
110.97569	6.8
116.98651	6.1
119.01923	9.3
120.99078	3.1
124.20075	2.9
128.98640	7.2
131.01868	4.1
133.01660	4.7
137.17079	3.7
138.19081	3.6
140.98566	6.7
143.01903	9.4
145.50569	3.2
147.03212	3.4
155.01845	5.8
158.99709	11.0
161.02982	4.9
163.03947	6.6
167.01903	3.4
170.95975	3.8
170.99702	4.4
173.02972	5.8
177.00739	7.0
185.02818	6.5
185.04224	17.1
188.97220	3.5
189.00742	6.8
202.98648	9.2
203.05385	36.0
217.00252	4.7
219.01785	8.3
220.99673	3.9
221.03017	4.9
230.98071	7.7
237.02805	7.4
244.99731	8.4
245.05093	16.8
248.99232	5.6
255.04068	4.0
260.24271	3.8
262.27438	3.8
263.00778	11.2
282.42062	3.4
365.06015	40.6
365.10526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05506	0.9
61.62287	0.6
64.16062	0.7
66.96811	0.6
67.05492	2.1
69.07069	1.3
69.26693	4.8
70.06593	3.0
71.04991	0.9
72.08158	6.1
73.08474	1.4
78.34043	0.6
79.05489	1.3
81.07047	1.6
84.04501	0.8
84.08134	1.4
85.02901	0.8
86.09712	3.3
91.05493	1.2
93.07043	1.4
93.68473	0.6
95.04988	1.3
95.08562	0.8
97.02904	0.7
98.06068	0.7
104.59580	0.6
105.07028	0.8
107.08622	1.3
108.08180	0.6
109.10118	0.6
120.04490	1.1
120.08121	2.2
121.06450	0.7
122.06026	2.1
123.04453	0.7
124.03925	1.0
136.06195	5.6
136.07317	1.0
137.06540	1.5
137.09636	0.7
138.05502	2.6
140.07089	2.2
146.05960	0.7
146.09676	1.1
147.04430	0.5
147.08015	0.9
148.03865	1.0
148.07587	3.3
150.05537	0.7
157.06503	0.6
160.07559	1.4
161.07181	0.8
161.10843	0.7
164.07120	1.1
166.05022	4.5
167.14296	0.7
168.06584	1.1
170.09753	0.8
171.09164	1.6
171.14943	2.0
172.07640	2.7
172.15286	0.9
174.09192	1.8
175.07529	0.7
175.08723	4.9
176.07066	7.8
176.09442	0.9
178.08667	1.4
182.08069	0.8
185.07185	1.0
186.09232	0.7
187.13171	0.7
189.06657	0.9
189.10306	3.8
190.08691	1.6
194.04579	0.8
194.08209	1.1
196.07579	1.6
198.07788	2.3
199.08702	6.5
200.07088	2.9
201.10268	1.0
202.08704	2.7
203.08188	14.0
204.06573	1.8
207.11290	0.9
212.05911	0.7
213.10248	4.7
214.08786	2.7
214.10712	0.8
215.08391	0.9
215.11937	0.8
216.10298	1.1
217.06317	0.8
217.09789	12.8
218.08086	1.0
223.08702	1.1
224.07072	1.3
227.08223	12.9
228.06624	1.6
228.08768	0.7
229.09822	1.1
231.06354	1.3
231.11266	1.0
235.10825	3.1
241.09718	12.0
242.08096	3.9
242.10178	0.6
243.11107	1.0
244.09686	1.7
245.09251	40.8
246.07635	1.4
246.09888	0.8
247.10788	2.0
249.07620	1.0
250.07080	1.0
255.07413	0.7
259.10785	10.2
263.10287	24.4
269.09204	5.8
270.07700	1.2
271.10764	1.3
273.08698	2.9
277.11810	1.4
287.10266	19.7
289.11865	2.0
291.09778	7.0
297.08627	1.3
305.11334	66.7
306.11639	1.2
315.09705	3.9
323.12390	18.4
333.10846	20.3
334.11240	1.1
347.12555	1.1
347.19708	0.8
365.13467	100.0
365.19861	4.0
366.13818	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73252	0.2
55.05506	0.6
57.03426	0.3
57.95281	0.1
67.05501	0.7
69.03400	0.2
69.07066	0.2
69.99047	0.8
71.04954	0.2
79.05508	0.9
81.03416	3.7
81.07074	1.1
83.04972	0.6
83.08617	1.1
85.02882	0.5
93.07024	0.9
94.04073	0.5
95.04970	1.4
95.08588	0.5
97.06529	0.3
97.10165	0.2
98.20937	0.3
105.07016	0.7
107.04956	0.4
107.08616	0.3
111.08070	0.4
119.03561	1.7
119.08573	0.8
121.10172	0.3
123.08183	0.2
129.06987	0.5
131.08572	0.6
133.06509	0.3
133.10165	0.2
136.06190	100.0
137.04547	0.7
137.06564	0.4
147.06897	0.2
147.11705	0.5
149.09709	0.3
152.05659	0.2
157.10107	0.6
174.07750	1.1
175.11195	0.5
193.12247	1.7
211.13316	2.1
273.13492	0.5
277.02246	0.2
302.17499	2.5
310.16580	0.5
320.18466	0.5
328.17728	0.9
346.18774	2.4
364.19797	37.7
365.20151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.4
56.96570	84.5
57.03436	1.8
61.02927	2.3
69.03423	4.0
69.59607	7.2
70.06596	11.7
70.98115	7.1
71.95267	2.6
72.08135	1.5
72.95939	1.2
73.02925	1.8
74.97614	1.8
77.39086	1.3
81.03413	3.0
81.94438	1.3
84.04471	1.8
84.08171	7.0
84.96037	9.9
85.02916	8.3
86.09721	2.2
88.99156	3.6
89.03920	2.9
92.14035	1.2
97.02895	3.7
98.97591	100.0
100.99130	4.9
101.00896	3.2
104.05317	3.0
110.07206	1.5
110.97579	30.6
112.99156	8.3
113.00908	1.6
115.00674	2.4
116.98629	26.7
119.00174	1.6
119.01934	4.6
119.04928	1.7
120.08073	2.6
122.97561	19.6
124.95478	1.6
124.99132	5.8
127.03933	3.8
128.98619	32.1
129.10228	1.8
130.06534	10.8
130.93352	1.8
131.00191	8.1
131.01901	3.2
132.04462	1.6
133.01631	2.3
134.99643	6.1
135.04446	1.5
138.05501	1.9
139.00771	1.7
140.98601	52.2
142.96539	3.0
143.00183	15.3
143.01913	4.6
144.98082	5.2
145.03534	2.0
146.99652	17.9
147.04410	2.6
149.01190	2.9
155.01904	2.7
156.98105	3.0
157.03452	2.7
157.07669	7.1
158.99666	87.1
161.01270	8.0
161.02936	7.5
162.99141	6.0
163.02682	1.9
163.03903	6.6
165.00746	7.7
166.01344	1.6
167.01927	1.6
169.03442	2.1
170.99698	9.5
172.94344	3.1
172.97614	3.5
173.01312	2.4
173.02954	5.2
174.99139	9.1
175.08710	1.5
177.00726	67.9
181.01895	1.9
182.01398	1.4
182.99663	2.9
184.97643	4.2
185.01193	3.5
185.02945	4.5
185.04427	6.3
185.06729	1.6
186.99138	2.8
187.04417	1.5
188.97096	3.5
188.99133	2.4
189.00667	13.3
189.04131	1.6
189.53145	2.0
189.99606	1.5
190.95358	1.8
190.98721	8.0
191.02245	2.7
191.03902	1.5
193.00226	4.0
193.53654	1.7
195.01778	16.2
195.03374	2.6
195.99692	2.5
197.00577	2.1
197.03091	1.9
201.00735	17.8
201.04433	1.9
202.02528	1.6
202.98657	36.8
203.02292	3.3
203.03790	3.4
203.05411	12.4
203.08017	7.1
205.00208	5.9
205.03763	1.7
207.01781	3.7
208.99693	5.2
211.03000	2.0
212.04156	4.3
212.54306	1.5
213.06088	1.5
217.00237	4.1
219.01761	16.9
220.99710	52.1
221.03011	3.3
221.04707	6.9
223.01221	3.2
225.00130	1.5
226.00528	2.1
227.04063	1.7
230.98129	4.5
231.01843	3.7
232.99799	2.5
233.05009	1.8
235.01297	2.6
237.00571	2.6
237.02849	39.6
239.02377	3.7
243.01801	2.1
243.07690	2.3
244.99716	64.1
245.05147	13.3
247.01341	2.4
249.02779	2.6
255.03882	28.0
256.99728	4.6
257.03394	3.2
257.12430	2.2
260.10184	1.7
263.00787	34.4
263.03836	1.7
263.06516	2.1
266.05191	1.4
267.03854	3.0
275.00769	27.5
275.05969	2.7
275.09659	1.7
277.02231	4.1
281.05386	1.7
284.06131	4.8
285.04962	2.2
286.02213	1.9
293.01794	5.8
293.10580	1.6
303.03906	6.6
305.01816	14.6
305.05444	4.8
307.03546	7.8
318.96442	4.2
321.05005	10.8
323.06305	2.4
347.02939	8.3
347.06650	2.1
347.12585	1.6
356.17288	2.1
365.04092	48.3
365.10532	37.7
383.06326	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.4
55.05509	14.6
57.07074	11.0
65.87594	4.1
67.05505	30.5
69.03429	8.3
69.07071	48.5
69.48253	16.1
69.48658	8.6
71.05001	5.2
71.08634	3.2
72.86019	3.4
79.05499	15.0
81.03448	5.6
81.07063	88.1
83.08632	18.8
85.06527	8.3
85.10184	4.3
86.09739	3.5
91.05483	13.3
93.07051	37.9
95.04919	5.9
95.08610	59.2
96.54236	3.1
97.02880	5.6
97.06551	12.2
97.10197	7.8
98.95686	3.6
99.08118	7.1
105.07036	16.4
107.08607	27.3
109.10149	43.7
111.08081	14.6
111.11739	11.4
117.23150	3.5
119.08594	15.1
121.10146	25.7
123.04450	8.3
123.11706	32.9
125.05938	4.1
125.09647	4.3
129.07018	5.0
131.08560	7.5
133.10132	8.4
135.11694	24.2
137.13277	24.8
139.11185	3.9
141.07016	4.5
145.06519	5.2
145.10135	8.4
147.06856	4.5
147.11717	11.0
149.13272	19.2
153.07005	6.5
153.12762	12.1
155.08560	37.4
155.14342	6.2
160.05229	9.8
161.05998	4.6
161.13297	6.0
163.14824	8.3
165.06972	8.8
165.12828	10.3
167.07030	22.8
168.05679	6.1
171.13780	4.2
172.67062	3.7
173.02425	3.8
173.06026	23.8
174.03189	5.5
176.10686	4.9
177.16466	7.5
183.08069	22.9
183.13727	3.9
186.06738	6.6
187.03934	4.9
187.07532	7.4
191.17822	4.5
201.09122	49.6
201.14888	4.2
204.10217	4.5
211.02327	3.3
211.07481	24.1
217.19489	4.2
229.08595	100.0
261.25848	6.1
273.13538	6.9
273.25909	12.7
279.26694	6.3
288.98697	4.3
291.26913	24.8
302.17523	41.6
309.27954	17.3
320.18887	4.0
327.28741	5.1
346.20105	9.6
360.72040	4.2
363.10837	9.4
363.18237	5.8
364.21280	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01876	6.4
55.05516	19.6
56.05036	5.1
56.96569	8.1
57.03450	3.6
58.99588	3.5
60.04531	3.6
61.01152	3.4
61.02939	3.3
66.16462	2.4
67.05499	5.4
69.03426	5.9
69.07071	11.7
70.06587	8.7
71.51907	3.8
72.08156	9.2
74.00674	5.6
79.05505	9.8
80.05009	3.0
81.03418	16.0
81.07065	8.7
82.55687	2.3
83.04993	19.5
83.08619	3.6
84.04507	7.3
84.08150	8.7
85.01141	8.0
85.02926	9.0
86.00620	3.6
86.09708	5.0
88.02210	6.5
88.03996	8.6
90.05529	2.6
91.05489	8.3
93.07060	7.7
94.06535	4.0
95.04956	3.0
95.08613	5.8
97.02904	4.1
97.06562	2.7
98.06038	2.9
98.97588	15.2
100.02181	4.3
101.00577	4.6
104.05340	3.1
105.07021	13.2
107.04960	5.6
107.08594	28.1
109.06573	5.4
109.10180	5.4
110.97595	3.8
112.02197	10.2
113.00583	8.5
114.03771	4.0
115.02154	4.8
116.07074	3.6
116.98631	5.1
119.08591	13.7
120.08117	3.1
121.06522	4.1
121.10173	5.0
122.02731	6.3
125.09650	4.1
126.03751	4.3
127.02140	5.5
130.03331	3.0
132.01190	5.9
133.10130	7.9
135.08064	3.8
137.05980	44.4
137.09657	3.7
138.03735	10.5
138.05507	2.5
139.05768	8.5
145.10118	3.9
147.04384	4.6
147.08047	3.4
148.07613	2.9
151.03957	5.3
151.07504	3.0
152.07043	4.8
156.04814	22.6
157.03255	3.3
157.06837	6.5
158.02757	6.4
159.01054	3.3
159.11726	3.4
161.13280	10.1
163.03700	2.3
165.07452	2.9
166.08627	4.5
167.07085	4.4
168.04803	9.8
168.06541	7.1
170.08182	4.8
172.04257	11.7
177.00763	9.7
177.12729	7.1
184.04303	66.9
184.09808	4.5
184.11299	3.0
185.02742	3.2
189.12817	8.6
193.10597	2.6
202.05347	100.0
203.12204	5.0
211.11545	8.9
215.97440	2.6
219.01811	3.6
225.60896	2.5
228.10561	17.1
231.96652	3.2
235.01257	3.4
237.02754	5.6
239.10999	25.8
246.11638	7.9
257.12036	4.0
298.21454	3.3
300.12311	3.6
301.10818	3.1
310.14703	16.3
311.13129	4.0
328.11874	8.0
328.15747	64.4
346.12869	12.6
346.16745	64.3
364.13937	70.8
365.10468	4.3
365.14426	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89191	0.9
55.01867	1.0
55.05517	5.8
57.07071	3.8
67.05513	6.8
69.07068	9.5
71.04993	1.7
71.08636	1.8
72.08162	1.1
79.05482	3.7
81.07057	10.1
83.05000	1.2
83.08619	3.1
85.06542	1.6
89.06026	3.2
91.05479	3.3
93.07052	5.8
95.04984	1.1
95.08617	11.4
97.06528	3.2
97.10178	0.8
100.32278	0.8
105.07043	3.4
107.08572	5.8
109.06526	8.4
109.10156	3.2
111.08083	1.9
119.08591	5.0
121.10142	4.1
122.07280	1.0
123.08074	58.3
123.11691	2.8
131.08508	1.1
133.08611	1.1
133.10095	2.8
135.08090	4.5
135.11693	1.9
137.09634	4.3
147.11688	3.0
149.09651	1.7
149.13260	3.0
151.09653	1.4
159.11681	1.8
161.13272	1.5
163.11115	1.2
165.12730	1.0
167.73566	0.9
177.12802	1.2
179.14311	14.8
195.12216	1.2
224.46233	1.0
231.80486	0.9
275.19998	1.2
295.22781	1.2
303.26898	1.1
307.22647	7.2
316.64780	0.8
331.26340	3.4
363.28934	100.0
364.29263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.7
57.07073	5.9
66.22846	2.0
67.05235	2.1
67.05515	25.7
69.07066	27.9
71.04975	3.4
74.06625	2.2
74.91490	1.9
76.81625	1.9
78.49035	2.7
79.05494	8.8
81.07060	100.0
83.08630	9.8
85.06542	9.6
91.05450	5.0
93.07042	19.2
95.04982	2.5
95.08611	79.8
97.06520	3.2
97.10169	9.9
99.08102	9.3
105.07034	6.1
107.08601	27.6
109.10160	43.5
111.08096	6.8
111.11723	6.3
113.09662	2.5
119.08619	3.3
121.10162	17.5
123.11707	34.9
125.09618	3.9
133.10136	3.9
135.11711	13.0
137.13234	12.7
139.66777	2.6
147.11710	4.5
149.13269	21.6
151.14810	11.7
152.24312	2.7
153.12718	2.9
161.13292	3.7
163.14815	19.7
167.07050	4.1
167.14355	3.9
173.09521	2.7
177.16403	6.5
181.15971	3.8
188.84023	2.4
191.17929	6.2
203.18166	2.2
207.17433	2.7
217.19478	11.8
235.20576	8.7
253.21686	3.6
256.75531	2.4
273.25806	7.5
277.54758	2.7
291.26849	21.4
309.27762	7.8
363.30167	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	363.2167
Annotation	Poststerone
Peak:m/z	Relative Intensity
53.03938	3.7
55.01870	4.2
55.05501	7.1
57.03424	2.5
65.03915	2.1
67.05515	8.7
69.03426	3.8
69.07060	6.5
70.06597	79.6
71.04987	6.6
72.08155	8.5
79.05493	12.2
81.03413	23.0
81.07052	16.9
83.04984	4.8
83.08607	2.4
84.04452	1.9
84.08141	7.0
85.02878	3.0
86.09679	8.2
91.05488	18.0
93.07040	18.5
95.04974	18.6
95.08609	14.2
97.02922	2.9
97.06529	4.9
99.04450	6.4
105.07035	24.3
107.04965	5.2
107.08604	16.7
109.02885	2.2
109.06528	8.2
109.10168	7.4
110.07158	1.7
111.04448	2.1
115.05458	4.2
117.06993	4.6
119.04946	3.0
119.08585	21.2
120.08109	11.5
121.02853	1.7
121.06532	9.1
121.10134	12.2
123.04430	5.6
123.08066	8.5
123.11690	4.0
125.09615	6.7
128.06215	5.2
129.07042	11.0
131.04915	4.8
131.08586	18.4
133.06488	6.4
133.10124	15.5
135.04393	7.5
135.08051	15.0
135.11699	5.7
136.06180	20.1
137.05971	5.3
137.09618	4.3
141.06985	3.2
142.07762	6.6
143.08559	15.4
145.06516	10.7
145.10139	12.4
147.04358	2.1
147.08054	6.9
147.11655	7.3
149.05945	2.3
149.09634	9.6
151.07570	3.4
152.07030	3.5
153.06970	2.8
153.09042	4.3
155.08589	9.0
156.09303	1.9
157.06496	2.4
157.10152	15.5
159.08028	7.7
159.11717	13.2
160.05222	7.5
161.05974	9.2
161.09628	16.3
161.13261	3.4
163.07571	11.4
163.11182	3.4
165.06941	3.4
167.07089	3.8
167.08502	3.7
169.10107	6.1
170.07292	2.5
171.08067	13.8
171.11694	8.2
173.06036	2.7
173.09637	10.5
173.13237	12.4
175.07594	2.8
175.11168	7.1
177.09071	4.0
179.08586	3.1
180.09225	1.9
181.10127	7.2
183.08051	5.0
183.11711	7.8
185.09656	11.5
185.13266	6.9
186.02119	2.3
187.07536	5.2
187.11172	6.3
189.09122	17.0
189.12721	2.8
191.08559	2.3
192.09419	2.3
193.10149	4.6
194.10951	2.3
195.11696	6.7
196.12558	2.3
197.09637	4.2
197.13194	3.9
199.11249	8.3
199.14822	4.4
201.09097	5.5
201.12750	3.9
201.16415	1.9
203.10693	10.3
203.14311	7.2
205.10101	2.6
207.11714	5.3
209.09650	2.1
209.13252	6.0
211.11182	8.3
211.14787	6.3
213.12856	3.0
215.10677	2.5
215.14227	2.5
217.15852	4.4
219.11678	2.1
221.13293	3.5
223.11200	2.2
223.14821	4.1
225.12762	5.5
225.16396	5.1
227.14354	7.0
229.12206	3.4
229.15897	5.2
237.12553	2.3
239.10767	2.1
239.14284	5.3
241.15822	2.0
243.13844	2.7
243.17459	2.8
245.15382	31.6
249.16415	9.7
251.14328	6.9
252.15277	2.2
253.12389	2.3
257.15372	6.9
263.17929	5.6
265.15921	3.9
266.13983	3.6
266.16623	2.1
267.14343	2.0
267.17447	14.5
269.15295	13.8
271.13257	5.1
271.16873	2.0
281.15744	3.0
281.18973	14.3
283.16876	2.2
285.18475	26.7
287.16431	6.0
291.17496	10.6
299.10620	3.8
299.20041	9.2
309.18497	47.3
327.19574	100.0
345.20639	24.5
363.18103	27.9
363.21658	72.8
364.19379	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	363.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07513	0.3
50.65569	0.3
54.20429	0.3
55.05508	0.6
67.05486	1.0
69.03419	0.9
69.07051	0.8
70.06592	0.4
77.59470	0.3
79.05489	1.0
81.03405	1.4
81.07049	1.2
83.04940	0.4
85.71938	0.4
90.74329	0.3
91.05490	1.7
93.07021	1.0
95.08604	1.4
97.02885	1.0
97.06564	0.4
105.07043	1.0
107.08601	0.8
109.06558	0.4
109.10170	0.4
113.00008	0.3
115.05453	1.5
117.07035	2.2
118.06551	27.9
119.07347	0.4
119.08597	0.9
119.55512	0.3
121.06590	0.4
123.08046	0.6
123.11724	0.5
127.03931	0.6
131.08525	0.8
132.08076	1.4
133.09003	0.4
133.10106	0.8
134.09651	0.4
142.06544	2.1
142.07527	0.4
143.07301	1.6
143.08514	0.4
144.08089	10.5
145.06516	0.4
145.10158	0.8
146.06018	44.6
146.09659	1.3
147.08008	0.4
151.07529	0.5
155.08513	0.5
157.10117	0.8
159.07996	0.5
160.07523	0.5
170.06024	4.3
176.14354	100.0
177.09103	0.4
177.14738	1.0
188.07079	26.8
216.13756	0.7
229.08662	0.8
230.96533	0.5
234.14917	1.7
289.17999	0.5
363.20737	35.3
364.21320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40489	0.2
58.47494	0.2
62.92831	0.2
70.57205	0.3
70.57526	0.2
81.03399	0.2
81.07087	0.2
91.05476	1.2
92.69788	0.2
93.06996	0.2
95.08616	0.5
103.05431	0.2
105.00855	0.2
105.07076	0.3
115.05439	1.1
117.05762	0.6
117.07013	1.3
118.06541	28.2
119.08581	0.3
129.71341	0.2
130.06549	0.6
132.08081	2.4
133.08879	1.0
133.10069	0.2
134.09619	0.5
142.06497	1.9
143.07300	2.3
144.04475	0.6
144.08084	11.6
145.06454	0.2
146.06009	47.3
146.09636	1.7
147.06366	0.3
147.10399	0.4
155.06010	0.2
160.07625	0.4
167.07211	0.2
169.81073	0.2
170.06009	3.8
170.07315	0.3
176.14342	100.0
177.14717	1.0
188.07066	30.1
189.07408	0.3
200.39362	0.2
216.13849	1.0
234.14919	1.7
327.25418	0.3
363.20673	29.2
364.21011	0.8
378.59152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2168
Annotation	Poststerone
Peak:m/z	Relative Intensity
53.03946	1.3
55.01863	3.4
55.05511	4.8
58.29713	0.9
65.03944	1.9
65.77396	1.1
67.05512	7.3
69.03427	1.7
69.07071	3.4
69.44977	1.0
69.45924	5.5
71.04985	2.6
79.05499	9.1
81.03423	2.2
81.07062	12.1
83.04976	5.3
85.06550	1.9
91.04990	1.0
91.05491	12.2
93.07050	18.6
95.04977	14.3
95.08614	8.8
97.06534	4.1
97.24696	0.9
98.20767	2.0
99.04426	5.2
105.07039	18.7
105.11411	1.0
107.04960	4.2
107.08604	14.6
109.06519	7.2
109.10179	6.9
111.04449	1.8
111.08054	1.6
115.05466	1.8
117.06989	6.9
119.08592	17.7
121.06500	8.4
121.10142	9.3
123.04427	4.2
123.08076	8.1
123.11698	1.5
125.09631	5.2
128.06206	4.3
129.06999	5.6
131.04915	2.1
131.08571	15.8
133.06497	4.5
133.10144	11.2
135.04420	5.9
135.08073	14.3
135.11693	4.9
136.06183	6.3
137.05997	4.2
137.09622	4.4
139.07497	1.6
141.07008	2.7
142.07802	4.2
143.08577	15.3
144.09338	1.7
145.06470	8.4
145.10126	11.4
146.07280	1.3
147.08061	6.2
147.11719	5.5
149.05980	1.6
149.09627	8.9
151.07535	2.3
151.11134	2.2
153.09160	1.4
155.08559	6.7
156.09271	1.3
157.06538	1.8
157.10118	10.2
159.08051	8.0
159.11700	9.2
161.06007	2.1
161.09624	14.2
161.13275	2.3
163.07556	9.1
163.11288	1.6
165.07076	1.3
167.08611	2.5
168.09380	1.6
169.10139	7.1
170.07307	1.0
171.08060	12.3
171.11714	9.3
173.09628	6.4
173.13286	12.0
175.07538	3.0
175.11192	5.7
177.09132	3.7
178.07756	1.6
179.08569	2.7
181.06424	1.2
181.10147	6.2
182.10922	1.6
183.08112	1.4
183.11732	7.5
183.43230	1.0
185.09651	8.6
185.13239	7.0
187.07581	1.8
187.11272	5.3
187.14824	1.5
189.09093	12.3
189.12808	3.5
191.10640	1.3
192.09416	1.0
193.10077	5.0
194.10815	1.5
195.07997	1.4
195.11702	5.7
196.12476	1.6
197.09677	5.5
197.13283	4.3
198.10378	1.3
199.07458	1.7
199.11205	6.3
199.14851	3.4
201.09088	3.2
201.12753	3.5
203.10699	12.1
203.14270	7.9
206.10841	1.7
207.11757	5.4
209.09665	1.5
209.13292	5.8
211.11250	5.5
211.13045	1.0
211.14810	6.0
212.12027	1.7
213.12764	4.2
215.10727	3.7
215.14342	2.6
217.12277	5.0
217.15823	2.9
219.11681	1.4
220.12509	1.4
221.09718	1.5
221.13470	5.1
223.11220	2.8
223.14816	5.5
225.12779	5.5
225.16409	4.4
227.10638	1.4
227.14305	10.2
229.12270	2.8
229.15833	4.7
231.13794	1.6
233.13486	1.2
234.14047	1.6
235.11301	2.0
235.14825	2.2
236.11861	1.4
237.12798	1.2
237.16455	2.0
238.13542	1.6
239.10611	2.6
239.14343	2.9
239.17908	4.4
241.15884	2.5
243.13821	3.1
243.17450	1.3
243.43666	1.2
245.15376	30.8
248.15660	1.4
249.12785	1.6
249.16434	9.6
251.14319	9.0
252.15152	1.3
253.12312	1.9
253.15875	2.7
255.17410	1.5
257.15387	4.1
257.19177	1.8
263.17947	4.6
265.15906	2.5
266.16776	1.8
267.17432	16.1
269.15390	17.0
281.15686	2.4
281.18954	12.8
283.16913	1.4
285.18509	28.5
287.16376	5.9
291.17416	10.1
294.16345	1.2
299.20026	6.7
309.18515	44.6
317.21054	1.8
327.19562	100.0
328.19815	2.6
345.16776	2.0
345.20654	22.8
363.21664	93.1
364.20120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.2
55.01876	4.6
55.05515	14.8
57.03455	3.7
57.07076	5.8
59.04993	2.5
60.04520	2.9
67.05505	37.2
69.03421	3.8
69.07076	33.3
70.06604	3.6
70.58590	2.0
70.58927	5.7
71.05003	12.8
72.08167	2.3
74.06075	5.0
78.17343	1.8
79.05502	21.5
81.03428	5.2
81.07062	100.0
83.05003	3.7
83.08630	11.8
84.08149	5.6
85.02912	4.8
85.06549	16.9
86.09718	8.2
91.05495	15.2
93.07055	42.2
95.04981	7.2
95.08617	53.6
97.02893	5.5
97.06548	11.1
97.10183	6.7
98.97591	2.5
99.04509	2.2
99.08153	3.2
105.07057	18.3
107.04999	4.7
107.08606	40.6
109.06544	6.9
109.10169	42.0
109.10852	1.4
110.07160	2.3
111.08090	14.6
111.11739	5.0
117.07025	3.5
119.08617	15.1
121.06492	4.9
121.10147	21.8
122.02753	4.4
123.08052	3.2
123.11710	42.6
125.06037	3.0
125.09649	7.1
127.07545	3.5
127.11172	2.8
128.06244	2.4
128.41730	2.2
131.04909	2.3
131.08594	9.5
133.10115	11.6
135.08041	3.2
135.11702	15.4
137.06001	6.7
137.09589	2.4
137.13286	13.3
137.45407	2.2
139.11185	5.7
141.12868	2.4
143.08572	2.9
145.04860	2.4
145.10146	7.5
147.11681	10.9
149.13283	23.6
150.73035	2.0
151.07562	3.5
151.11162	4.5
153.12764	6.0
155.14326	2.6
157.10060	2.3
159.08017	2.6
159.11703	4.0
161.06036	2.4
161.09584	3.6
161.13275	5.7
163.07477	2.3
163.11195	5.8
163.14841	8.4
165.09209	2.5
165.12733	5.2
167.07043	6.6
167.10703	3.5
169.12271	4.4
171.11714	2.3
173.13300	7.7
175.14929	3.4
178.98419	2.2
181.08620	3.7
185.13385	2.4
189.09145	4.7
189.16422	2.3
191.14323	7.6
191.18076	2.3
196.54617	2.0
209.15372	4.0
216.12294	2.8
222.15974	2.9
277.25259	4.8
283.10623	2.2
289.25311	9.4
295.26547	3.0
307.26416	13.8
325.27509	2.5
361.13483	3.5
361.20377	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	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84369	6.0
51.32713	5.5
52.11290	5.3
53.33539	5.0
54.37265	4.7
55.05509	22.7
61.11562	6.0
67.05515	33.1
69.03448	8.0
69.07066	23.9
69.37915	5.2
70.62611	15.7
79.05489	20.7
81.07056	100.0
83.04986	14.0
83.08611	13.2
84.08124	5.1
85.06541	21.6
91.05492	13.7
93.07048	25.3
95.04928	6.0
95.08605	47.2
97.02880	7.4
97.06535	19.0
102.78362	5.1
105.07066	16.9
107.08607	25.9
109.06474	6.3
109.10163	78.4
111.08125	6.8
119.08586	18.0
121.10173	25.7
123.11706	75.8
125.09673	5.7
133.10132	12.8
135.11751	10.8
137.05980	16.5
137.13235	8.7
138.06317	13.7
139.06494	7.6
143.08409	5.8
147.11716	9.2
149.13304	11.9
161.13197	8.0
173.13289	5.6
187.13411	6.1
188.03384	5.9
204.53128	6.4
277.25363	10.5
289.25269	20.3
295.26288	11.7
307.26324	17.1
361.28894	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	363.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05516	3.1
55.15771	0.9
67.05501	2.1
69.03436	1.8
69.07075	1.8
70.06599	31.2
71.04987	1.4
71.52099	1.4
72.08168	2.4
78.18275	0.8
78.76733	1.0
79.05513	3.3
81.03420	2.3
81.07077	5.1
83.04993	1.2
83.08606	1.6
84.04526	4.2
84.08146	3.6
85.02926	2.1
86.09706	5.3
91.05493	3.8
93.07044	5.1
95.04955	2.9
95.08637	3.3
97.02906	1.8
98.97605	1.5
99.08115	1.0
104.05386	1.2
105.07067	4.1
107.08629	3.3
109.06581	1.8
109.10188	1.8
111.08121	1.2
112.02222	2.5
114.96132	0.9
117.07033	1.5
119.08610	3.7
119.09413	1.0
120.08135	1.3
121.06522	1.2
121.10187	3.4
123.08103	1.4
123.11700	1.0
129.07066	1.9
130.06438	0.9
131.08575	2.0
133.06540	1.9
133.10173	2.5
135.08084	2.3
136.06197	8.2
136.07655	1.8
137.05981	1.8
140.01712	2.2
143.08571	1.6
145.06514	1.3
145.10139	2.0
147.11725	1.2
149.09630	2.4
150.09131	1.1
152.07106	2.6
155.08633	3.2
157.10197	2.5
159.08025	1.4
160.05206	1.6
161.06068	1.9
162.02327	1.0
167.07178	2.1
167.10722	1.4
169.10159	1.2
173.06032	1.9
173.09599	1.4
173.13298	1.2
183.08118	3.1
183.13683	1.3
185.09630	2.0
186.02228	3.1
189.09164	1.4
194.08235	2.2
199.11266	1.3
201.09192	3.2
201.12825	2.3
203.10796	1.1
211.07567	1.7
229.08670	4.3
229.12325	1.6
230.96553	1.3
245.15433	1.6
266.13907	2.1
269.15207	1.1
285.18436	1.6
291.17422	1.2
299.10712	4.5
309.18570	3.6
310.07236	1.3
327.09583	2.3
327.19406	7.2
345.10989	2.4
345.20807	2.3
363.14285	100.0
363.19003	12.8
363.22556	3.4
364.14893	1.7
364.19928	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03377	3.3
53.03938	3.5
54.49281	3.5
55.05513	27.0
67.05184	5.1
67.05512	67.4
69.07077	29.6
69.24296	3.0
69.95181	15.4
71.04995	100.0
79.05502	62.1
81.07059	49.4
83.08617	15.1
85.06521	4.6
87.08097	5.6
91.05485	28.5
93.07043	61.3
95.08605	36.1
97.06528	14.5
97.10181	23.4
105.07037	18.0
107.04939	3.3
107.08607	48.6
109.10168	40.1
111.08071	4.1
117.07033	8.5
119.08587	15.9
121.06531	5.6
121.10153	61.5
125.09637	24.0
131.08589	9.2
133.10138	17.5
135.11696	12.6
137.05994	22.5
137.09642	5.4
138.06355	15.4
143.08571	4.0
145.10083	9.2
147.11667	6.6
149.09604	10.5
149.13290	7.0
153.12743	43.4
155.10649	23.7
159.11723	11.2
161.13226	6.5
173.11760	65.1
173.13194	7.0
177.12790	6.9
189.11259	22.9
195.13806	15.2
209.15388	3.4
213.14832	5.8
227.16417	41.7
235.16942	4.7
257.19052	6.5
267.19693	3.6
272.20047	10.7
275.20096	57.4
290.21136	4.6
293.21191	3.9
307.22635	8.4
360.28912	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.0
55.05499	7.0
57.83467	2.3
60.72367	2.6
62.55139	2.4
64.79850	2.5
67.05494	9.1
69.03442	3.4
69.07071	13.0
69.37373	14.1
71.05006	3.0
79.05497	13.9
81.07056	30.5
83.04993	2.6
85.06568	12.7
91.05470	7.1
93.07055	30.9
95.04967	3.0
95.08622	21.8
97.06557	13.5
99.04444	5.8
99.08104	2.8
102.18449	2.4
105.07050	20.2
107.04975	4.5
107.08610	41.8
109.06526	11.0
109.10176	10.3
111.08044	5.8
113.05978	3.6
117.67104	2.2
119.08576	7.4
121.06499	11.4
121.10152	25.7
123.08073	8.0
123.11700	5.6
131.08563	4.0
135.08055	3.3
135.11734	15.9
139.11188	4.2
145.10118	14.8
147.11620	3.5
149.09598	8.2
149.13310	3.6
151.07544	10.5
153.12770	3.3
163.11188	35.2
167.10693	19.1
169.08618	100.0
181.12253	15.1
185.11742	6.0
191.10663	17.6
193.94698	2.5
209.11758	15.1
227.12794	45.0
267.08655	3.2
289.25278	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.6
57.07073	5.9
67.05508	29.4
69.07066	18.8
70.46079	9.8
71.04984	4.3
75.39542	2.9
79.05487	8.8
81.07055	100.0
83.08617	9.3
85.06552	14.9
91.05521	4.1
93.07054	14.1
95.08610	31.2
97.06509	4.2
97.10188	4.6
105.07034	8.3
107.08613	15.2
109.10159	62.0
111.08129	3.4
111.11674	3.6
119.08576	6.0
121.10171	13.1
121.61295	2.6
123.11708	98.6
125.09671	2.7
131.08578	2.8
133.10095	3.2
135.11699	8.3
137.05881	5.4
137.13271	9.3
141.12770	3.8
147.11684	5.4
149.13286	16.4
159.11658	4.3
161.04001	2.5
165.12820	5.4
169.12192	6.4
187.13293	11.0
201.30710	3.5
209.64613	3.0
219.21104	3.7
271.24200	3.8
277.25192	8.4
289.25238	11.7
295.26334	8.0
301.14700	3.0
307.26221	26.0
325.27271	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	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05514	12.5
57.03438	1.3
57.07070	5.0
63.28385	1.2
65.03940	1.9
67.05508	27.8
69.03444	1.7
69.07069	30.4
71.04986	4.5
71.52652	1.7
74.06073	1.7
75.57341	1.2
79.05499	14.1
81.07060	100.0
83.04996	1.4
83.08622	7.0
85.06545	11.6
86.26149	1.3
91.05479	7.8
92.29889	1.3
93.07050	33.8
94.28469	1.2
95.05029	2.1
95.08611	57.9
97.06522	6.4
97.10164	4.7
98.97594	3.3
99.08089	3.7
105.07042	11.7
107.08595	34.7
109.06565	2.7
109.10159	35.1
111.08092	18.8
111.11741	6.4
113.09625	1.6
117.07027	2.1
119.08576	8.5
121.10155	16.2
123.11710	55.7
123.96101	1.2
125.09614	3.8
127.07594	2.0
127.11208	1.7
131.08522	1.8
133.10161	8.5
135.11681	17.5
135.59555	1.4
137.13275	13.2
139.11194	4.6
141.12761	2.0
141.36874	1.4
145.10144	4.2
147.11694	8.3
149.13264	23.0
151.11180	7.2
153.12733	7.4
155.14357	3.5
159.11749	2.1
161.13258	5.4
163.14868	5.5
165.12753	3.8
167.14278	1.7
169.08560	1.8
169.12254	4.0
170.99568	1.4
171.13814	2.8
175.14854	1.8
177.16408	3.7
183.13786	2.8
187.13318	2.9
189.16374	1.7
203.18059	2.5
215.17978	3.0
217.19394	1.6
219.17554	1.3
231.67780	1.3
259.24152	1.6
271.24313	2.7
277.25320	5.7
281.95297	1.7
289.25327	12.1
295.26511	2.5
307.26352	16.0
317.06567	5.6
320.06110	1.5
325.27289	3.3
340.06168	2.2
345.50656	1.4
361.07993	1.5
361.23080	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
53.03958	1.3
55.05507	8.2
56.05038	5.6
57.03432	1.3
69.03419	2.8
69.07051	1.9
70.06601	15.7
70.23580	1.7
70.23972	2.5
71.05006	1.2
72.08157	100.0
73.08485	2.4
76.03975	1.0
79.05481	1.1
81.03393	2.0
81.07033	1.1
84.04507	42.0
84.08132	5.1
85.02902	6.8
85.06477	1.1
85.29084	1.0
86.09709	98.7
87.04457	1.4
87.10036	2.5
91.05466	1.4
93.07069	0.9
96.08154	1.5
97.02901	2.9
98.21339	1.2
99.04470	1.2
102.05548	24.7
104.05298	2.3
105.07003	1.1
107.04948	1.9
107.08595	1.3
110.09682	1.5
111.08058	1.1
112.07626	1.2
115.05491	1.0
116.07102	9.1
118.08662	11.6
120.08130	2.5
121.06499	1.3
122.03651	2.3
123.03917	1.1
124.11197	1.5
127.03897	2.2
129.06575	2.3
129.10257	2.8
131.04958	1.9
132.05254	2.5
132.10211	51.8
137.05984	22.7
138.06320	12.6
138.09148	14.0
141.06639	1.2
145.04947	2.7
148.06039	3.3
151.03783	1.2
155.11787	3.8
156.10207	8.8
158.13744	1.2
163.03899	3.6
163.07420	1.1
167.07095	1.5
169.13359	2.7
172.11612	2.2
177.05368	1.0
181.05009	1.4
183.11307	40.7
183.14890	2.1
185.16492	11.7
186.13167	1.3
197.12888	6.0
201.12344	38.3
211.10785	10.9
212.96992	1.1
213.16003	6.0
215.13878	11.0
217.13754	6.5
225.12364	1.3
229.11826	14.8
229.13943	1.4
231.17090	2.2
243.13467	6.1
245.13208	2.1
247.13138	1.4
261.14352	2.4
267.15967	1.1
292.10556	2.1
307.76236	1.0
324.13214	2.1
324.19070	1.6
342.14111	4.2
342.19885	1.2
360.20181	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.0
55.01854	4.3
55.05514	42.6
59.04986	7.8
62.78962	3.8
63.77502	3.3
67.05508	72.9
69.03416	6.6
69.07075	55.0
69.77923	19.2
71.05002	79.7
73.06535	7.7
75.60157	4.0
79.05499	74.7
79.09650	3.9
81.03407	8.4
81.07062	42.1
83.04966	6.5
83.08621	18.6
85.02877	4.7
85.06483	4.5
85.32385	3.3
87.08085	3.8
91.05508	19.8
93.07054	78.0
95.04979	5.8
95.08603	32.5
97.06526	15.7
97.10179	42.9
98.21497	7.3
105.07037	28.5
107.04967	7.7
107.08615	56.7
109.06513	6.9
109.09494	4.4
109.10165	52.2
111.08054	5.1
117.07047	5.7
118.06586	4.2
119.08595	19.0
121.06465	4.3
121.10151	76.4
123.08059	6.0
123.11693	11.5
125.09621	33.7
125.74780	3.5
131.08585	12.0
133.10146	14.2
135.11748	6.4
137.05992	33.1
138.06310	20.9
145.10126	12.1
146.09648	3.5
147.11635	9.4
149.09653	13.7
153.12753	56.4
155.10649	30.9
159.11662	9.1
160.11226	5.7
161.13298	8.9
163.11090	6.0
173.11754	100.0
173.13142	4.6
189.11250	30.3
222.07739	4.6
227.16423	10.1
257.18866	6.5
272.20059	33.4
275.17343	4.8
275.20102	59.8
290.21219	7.4
293.21121	6.7
307.22586	5.1
360.28989	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01864	3.1
55.05510	28.3
59.04965	3.1
62.56681	3.0
67.05505	59.0
69.03413	3.4
69.07079	36.6
69.37573	3.1
71.05000	61.6
71.38663	5.2
73.06532	3.7
79.05503	73.8
81.07063	35.5
83.08619	22.6
85.02895	6.0
85.06538	5.9
87.08105	8.7
88.07171	4.0
91.05491	24.4
93.07049	72.4
95.04961	7.3
95.08621	30.5
97.06525	11.3
97.10164	26.1
105.07000	16.9
107.08601	49.4
109.06433	3.8
109.10156	47.8
111.08060	7.1
119.08598	16.3
121.10150	73.8
123.11681	5.7
125.09627	27.1
131.04936	4.5
131.08554	4.3
133.10100	12.6
137.05977	31.3
137.09520	3.7
138.06334	22.4
145.10136	8.7
147.11652	7.9
149.09648	7.1
153.12761	61.6
155.10666	24.1
159.11713	5.6
161.13249	3.7
163.11224	4.0
165.23019	3.6
173.11751	100.0
173.13138	4.2
189.11221	34.0
227.16432	5.2
244.71507	3.5
257.18872	7.1
260.47156	3.4
275.20090	63.0
293.21063	6.8
344.81531	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05502	1.0
56.96578	0.5
65.03938	0.6
67.05511	1.3
69.03428	1.0
69.07085	1.6
69.18440	5.6
70.02954	1.5
70.06596	2.0
71.01364	0.8
71.04984	0.6
72.08160	2.0
73.02912	3.2
76.02242	0.7
79.05501	1.5
81.03423	0.8
81.07079	1.5
84.04507	4.2
84.08155	1.7
85.02907	1.9
85.04029	1.4
86.06074	0.7
86.09711	76.6
86.81783	0.5
88.03994	10.2
91.05494	1.2
93.07051	1.5
95.04977	1.5
95.08599	1.0
96.04498	1.1
96.08134	3.2
97.02900	0.7
97.06535	0.9
98.02404	3.3
98.09666	0.6
100.03987	4.7
103.05442	0.6
105.07008	0.8
107.04999	0.8
107.08597	1.0
107.57653	0.5
107.58591	0.5
110.09663	1.0
111.04465	0.6
111.08139	0.5
113.10768	2.5
116.10747	1.2
117.07022	0.6
119.08580	1.0
120.08094	1.4
121.06518	4.8
121.10117	0.8
122.03642	1.4
123.04428	1.0
127.03951	1.0
130.05017	1.8
131.04919	1.5
132.05234	0.8
132.10210	7.5
137.05975	11.9
137.74796	0.6
138.06325	7.3
138.09142	6.3
141.10228	11.1
142.08636	1.3
145.04991	1.1
147.04408	1.0
150.12863	0.9
152.14331	1.9
155.11818	1.6
156.10211	11.0
164.07031	1.5
165.05507	0.7
166.08710	0.8
181.04933	2.3
183.11311	7.4
184.09706	3.5
193.12263	0.7
198.06232	0.5
201.12350	100.0
209.88519	0.5
211.10736	0.8
226.14485	0.8
229.11847	27.6
245.18622	2.1
246.14880	1.5
252.19559	0.9
254.05330	1.1
269.55423	0.6
270.04764	2.1
270.20786	2.0
271.05984	1.0
272.06323	3.8
272.14902	0.6
278.64978	0.6
292.10364	1.2
296.19455	0.8
314.07321	2.7
316.18793	5.2
324.12888	1.3
342.14169	1.5
360.08011	0.8
360.16220	2.9
360.21564	6.2
360.25729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.1
56.05027	0.7
57.05818	0.7
62.61180	0.5
69.07077	1.2
69.50057	3.4
70.02951	1.8
70.06599	1.4
70.82770	0.5
71.07418	0.7
72.08157	72.3
81.03409	0.6
81.07074	1.3
82.06580	7.2
83.04987	1.3
84.04552	0.5
84.08165	0.5
85.02935	0.7
85.04048	0.9
86.06068	1.4
86.09708	77.7
87.10056	0.7
88.03989	12.7
91.05487	0.7
92.84895	0.4
93.07038	0.6
94.06571	0.9
96.08140	4.2
96.37297	0.5
97.06532	0.8
98.02422	3.4
98.09712	1.3
99.09228	3.7
103.05459	0.6
111.04445	0.7
116.10750	1.2
120.08109	1.1
121.06542	0.6
124.07612	3.7
127.07738	1.1
127.08684	20.7
128.07077	3.8
130.06586	0.5
132.05301	0.6
132.10176	1.0
135.97949	0.5
137.06001	3.6
138.06288	2.5
141.10239	1.6
142.08638	31.9
145.05026	0.5
146.11761	76.0
146.42377	0.4
152.07071	1.6
153.05428	0.7
163.07532	0.6
166.08752	0.6
169.09729	7.3
170.08136	3.7
187.10782	100.0
198.07651	0.8
208.13393	0.4
211.13275	0.6
215.10274	32.0
217.95047	0.5
222.63423	0.4
226.14384	1.4
245.18648	1.4
252.19563	0.7
270.20645	1.7
316.21127	0.8
324.13095	0.6
342.22971	0.6
360.16437	2.9
360.21075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
55.05510	1.2
55.10041	0.5
56.05022	0.5
61.80682	0.4
69.03436	0.6
69.06734	0.8
69.07073	10.3
70.02953	1.6
70.06603	2.3
71.39491	1.1
72.08153	1.6
73.04041	0.5
73.63905	0.5
76.98210	0.5
79.05486	1.0
81.07056	1.1
83.04956	0.7
84.04510	0.9
84.08132	1.1
85.02908	1.9
85.04028	1.3
85.08919	0.5
85.47289	0.5
86.06083	0.7
86.09711	70.3
87.10053	1.5
88.03993	13.1
91.05489	0.6
92.05800	0.6
93.07076	0.6
95.08595	1.0
96.08131	4.9
97.02934	0.6
97.06528	0.5
98.02409	3.1
98.09680	0.9
103.77996	0.5
105.06988	0.9
107.08604	2.2
108.08180	0.6
108.08926	1.1
110.09679	1.8
111.04428	0.9
113.10765	1.4
115.05055	0.7
116.10762	1.3
119.08599	0.8
120.08128	0.9
121.10142	0.8
122.03683	0.6
127.03915	1.1
131.04973	0.6
132.05258	0.7
132.10213	4.6
133.06107	2.1
133.10141	1.5
134.10405	1.3
135.07944	0.5
135.90262	0.4
136.07587	0.7
137.06003	9.2
138.06314	4.7
138.09140	2.4
141.10234	11.9
142.08606	2.2
143.11696	0.6
144.12125	0.6
145.04915	1.4
146.06033	0.6
148.03943	1.4
152.11537	0.6
155.11774	1.0
156.10207	18.7
166.08640	2.5
167.10674	0.7
168.11024	1.1
173.92363	0.5
179.10641	1.0
180.11037	0.6
183.11273	3.8
184.09792	2.3
187.75629	0.5
197.11751	4.9
198.12061	7.4
200.07880	0.5
201.12350	100.0
211.10927	0.7
214.18001	0.7
226.14412	1.8
229.11841	24.5
245.18648	0.8
256.12405	0.5
260.07596	0.5
264.11075	0.6
312.37845	0.5
318.05798	0.5
324.13092	1.2
360.16589	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98500	0.4
53.84495	0.4
54.36248	0.4
55.01864	1.4
55.05515	0.7
56.05025	0.9
57.03427	1.2
61.02912	1.8
69.03426	4.5
69.07060	1.6
69.88866	0.7
69.89261	1.2
70.06593	4.1
71.04992	0.6
72.08154	9.5
73.02911	1.0
79.05489	0.6
81.03401	1.3
84.04506	5.4
84.08150	2.5
85.02908	17.3
86.09709	16.7
87.04494	0.6
87.10010	1.0
88.04015	0.5
89.03911	3.2
91.03953	1.0
91.05483	1.7
93.07042	0.7
95.34767	0.4
97.02895	4.7
98.06060	0.7
99.04459	0.8
102.05537	2.5
103.05451	0.9
107.04948	2.4
109.02863	1.2
111.04454	0.5
116.07066	1.0
117.03390	5.8
118.08662	5.0
122.03634	0.8
124.07615	0.4
127.03925	4.6
127.08671	0.5
129.06622	1.5
129.10281	1.2
131.04919	2.5
132.10158	0.6
135.04420	12.7
137.05977	9.9
137.06955	0.9
138.06311	6.2
139.03880	0.9
145.02859	12.0
145.04961	5.1
147.07957	0.5
153.05403	0.4
163.03906	100.0
163.07433	2.0
164.04237	1.7
177.05466	0.7
180.08670	1.8
180.10139	0.5
181.04961	48.5
182.05426	0.5
185.16518	1.8
190.99434	0.5
197.12871	4.0
198.07664	1.1
200.04166	0.5
210.06645	0.5
213.15991	0.9
215.13855	5.2
221.11909	0.5
225.12396	0.7
240.70786	0.5
242.05325	0.6
243.13455	1.3
264.84531	0.5
270.04730	1.0
292.10458	0.9
342.14224	1.1
360.01614	0.6
360.12741	0.4
360.32242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.0
53.31147	1.6
55.01857	2.8
55.05264	1.5
55.05512	7.3
56.96574	1.6
57.03447	1.9
60.84838	1.8
67.05499	6.2
69.03423	6.2
69.07066	4.8
69.43860	2.2
70.06609	2.1
71.04996	5.3
71.52199	2.4
72.08156	1.6
74.10182	1.5
76.40549	2.0
79.05097	2.3
79.05492	13.8
81.03436	2.5
81.07061	10.1
83.04974	3.8
84.08143	2.1
85.02904	3.5
85.06540	1.9
86.09695	3.6
91.05490	8.6
93.07043	37.3
95.04967	4.2
95.08606	4.4
97.02894	3.9
97.06516	4.8
99.04459	16.3
101.06029	3.0
104.52264	1.7
105.06319	2.6
105.07030	47.9
107.04961	2.6
107.08601	24.9
109.06557	3.2
109.10139	1.9
113.27330	1.8
117.07034	6.9
119.08590	21.5
121.06519	27.1
121.10156	45.0
127.03944	2.8
129.07045	2.1
130.07767	3.3
131.04907	2.1
131.08574	4.6
133.10158	3.6
135.08051	16.4
135.11699	9.6
137.05980	21.9
138.06310	16.2
145.05002	3.0
145.06258	1.6
145.10126	56.2
147.11687	5.4
149.06003	3.7
149.09633	13.0
158.07256	1.7
163.11191	87.6
173.09642	5.5
179.08360	1.9
181.12256	26.2
191.10687	100.0
198.18532	5.6
209.11720	38.4
227.10529	4.0
227.12790	57.4
256.10593	3.6
292.10837	3.9
325.12775	4.8
331.91391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.7
56.05039	0.9
70.06602	1.3
70.68335	2.0
72.08158	100.0
73.08472	0.9
74.60249	0.7
83.06116	3.0
84.04515	2.3
86.09709	88.0
103.05495	1.0
110.28333	0.7
122.03677	1.2
131.04958	1.1
132.10225	3.8
136.33440	0.7
137.05986	16.8
137.06958	1.3
138.09145	1.1
138.45430	0.6
151.03943	0.9
157.13373	48.4
163.07547	0.7
175.10788	56.0
182.12930	3.0
183.11337	2.0
185.12863	43.9
185.16547	3.0
190.44952	0.7
194.94624	0.6
200.13969	1.1
210.12415	0.7
211.10670	0.9
213.15979	1.0
214.15582	0.7
239.17516	3.5
284.19653	6.9
284.22397	0.8
288.19238	1.6
291.10159	1.1
341.21933	3.2
359.23114	1.4
380.81543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	0.7
55.05508	4.2
55.60010	0.6
57.03435	0.8
65.03953	0.8
66.04709	0.7
67.05183	0.8
67.05510	10.2
69.03425	1.1
69.07069	4.5
69.42279	3.5
69.42681	1.1
70.06599	1.2
71.05000	1.7
72.08144	1.6
73.02898	0.8
79.05507	5.0
81.03405	0.6
81.07056	15.3
83.04993	1.4
83.08620	2.8
84.08126	1.0
85.02927	1.3
85.06525	1.8
86.09712	1.4
91.05479	3.8
93.07032	6.5
94.04186	2.1
95.04960	2.0
95.08611	7.7
97.02894	1.6
97.06536	2.7
99.04459	0.7
99.08083	0.9
99.78467	0.6
103.05480	4.8
105.07033	3.7
106.07326	0.9
107.04953	2.1
107.08612	5.0
109.02888	0.7
109.06508	2.0
109.10158	17.8
110.10480	0.7
111.08083	2.5
117.07008	1.3
119.08585	2.9
121.06524	1.2
121.10134	4.0
122.02728	2.2
122.03648	6.3
123.08098	0.8
123.11699	6.0
127.03889	1.3
127.11194	1.8
129.06979	0.8
131.04933	11.8
133.10138	2.5
134.10515	0.8
135.04416	0.6
135.08043	1.0
135.11720	1.6
137.05983	100.0
138.06305	1.8
139.07574	2.1
139.11147	1.2
143.08569	0.8
145.06519	0.7
145.10127	1.5
147.04417	0.9
147.08092	0.8
147.11694	1.7
149.05988	1.5
149.13272	1.2
151.03922	0.9
151.07544	1.7
151.11127	0.7
153.12805	0.9
155.10687	1.9
157.06502	1.0
159.11707	1.2
161.09642	1.6
161.13263	2.0
163.07571	5.4
165.05498	1.3
165.12773	0.8
167.10635	0.8
173.13235	0.9
175.07614	0.8
177.05492	1.5
179.06976	0.8
179.14339	0.9
185.13321	0.8
189.09134	1.5
189.16508	0.7
195.11826	0.8
202.07858	0.7
203.08633	1.4
203.14436	1.0
221.15428	1.8
231.08107	2.2
247.07788	0.6
248.08339	1.0
259.07553	1.0
263.10693	3.4
270.08929	0.6
276.07736	1.0
287.23730	1.8
291.10199	6.6
293.24664	2.4
296.72791	0.7
305.11667	1.8
305.24759	5.7
323.12778	5.3
323.25787	3.0
341.09998	1.3
341.13904	5.0
344.46802	0.6
351.75964	0.7
359.14441	1.8
359.19598	3.4
359.23389	1.2
359.27209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03946	1.8
55.01870	1.6
55.72621	0.7
57.03427	1.6
61.02924	2.1
67.05507	1.5
69.03435	6.1
69.07088	1.6
70.06603	1.7
70.68166	1.5
72.08154	0.8
73.02895	1.2
79.05505	1.8
81.03428	2.8
81.07046	2.3
85.02908	24.8
86.09707	6.9
91.05492	5.0
93.07047	6.6
95.04961	2.6
97.02895	6.0
99.04420	0.9
103.05462	2.2
105.07034	5.8
107.08598	17.8
109.02905	2.7
109.06548	1.5
109.10167	1.8
119.08595	2.5
121.06503	3.2
122.03674	2.3
123.11703	1.2
127.03931	5.0
131.04924	2.3
133.10136	19.0
135.11687	18.2
137.05981	38.0
137.09595	1.4
145.04939	2.9
145.06444	1.0
151.07732	1.0
151.11234	0.9
161.09613	9.5
163.07547	2.7
177.05515	1.0
179.10663	29.5
197.11737	100.0
200.13968	1.4
213.96277	0.9
256.31430	0.9
269.04361	2.3
272.40460	1.0
291.10034	2.4
305.11685	0.8
313.07272	1.0
323.12573	2.4
341.14029	2.0
345.12997	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45091	0.4
53.03949	0.6
55.01866	0.9
61.02927	1.2
67.05508	0.6
69.03428	3.5
69.07053	1.2
70.06594	1.2
71.36266	0.9
72.08154	0.5
73.02920	0.9
79.05483	1.7
81.03425	1.2
81.07058	1.7
84.08141	1.0
85.02909	8.5
86.09707	8.9
87.04477	0.7
87.05619	0.7
91.05488	3.4
93.07050	3.9
94.04185	0.5
95.04916	0.7
95.08604	1.1
96.08072	0.5
97.02888	2.4
97.06584	0.6
99.04457	0.6
103.05473	1.0
105.07039	5.7
107.08601	31.0
109.02888	1.8
109.06516	0.5
109.10170	1.8
119.08591	5.2
121.06487	0.5
121.10154	5.3
122.03647	1.7
123.08053	0.9
123.11710	0.9
127.03920	1.3
131.04918	1.7
131.08516	0.6
132.10233	0.7
133.09126	1.0
133.10139	17.7
137.05983	22.3
137.09622	0.8
138.09152	0.5
139.07533	1.3
141.10184	0.7
145.05043	1.1
149.09628	3.1
151.03850	0.7
151.07486	1.1
151.11189	6.9
155.11838	0.7
161.09641	5.3
163.07535	1.3
167.10693	12.4
179.10678	15.7
189.12425	0.6
197.11746	100.0
198.11996	1.2
200.13904	2.7
201.12383	1.3
203.08527	0.4
204.09404	0.4
224.27881	0.4
228.13510	1.7
263.10645	0.7
291.10172	1.7
323.12686	0.8
341.13889	2.0
359.15009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Leu Ile Asn
Peak:m/z	Relative Intensity
53.03944	0.3
55.01879	0.7
55.05509	0.4
56.05026	0.4
56.96581	0.3
59.92627	0.3
69.03432	0.4
69.07055	0.7
70.02966	0.5
70.06606	2.1
71.02377	0.4
71.02706	0.4
72.08160	2.2
73.02908	0.6
74.02448	2.2
79.05488	0.6
81.07059	0.5
84.04495	0.5
84.08143	2.1
85.02924	0.6
86.09710	100.0
87.05594	4.1
87.10063	0.5
88.03978	0.7
93.07069	0.3
94.04199	0.6
95.04965	0.3
103.05470	1.2
115.05363	0.3
115.91164	0.3
116.03481	1.1
116.07081	0.3
120.08076	0.3
121.06494	0.4
122.03648	1.7
129.07057	0.4
129.10255	0.6
131.04951	2.2
133.06096	21.9
135.04398	0.3
137.05983	24.2
139.05508	0.3
147.04416	0.3
147.07639	0.5
149.05972	0.5
151.03938	0.4
151.07562	0.4
163.03937	1.5
163.07565	1.8
165.05539	0.6
167.07085	0.3
175.07542	0.3
179.07100	0.4
181.05014	0.4
185.16460	0.4
187.07547	0.6
189.12296	0.3
190.05092	0.3
195.04503	0.3
199.18071	33.7
200.18452	0.4
203.08633	0.4
208.89651	0.3
213.05478	0.4
227.17546	21.2
228.17795	0.3
229.11923	1.2
231.08160	0.9
241.04906	1.3
246.14505	5.0
246.16975	0.3
263.10767	0.8
269.04523	2.8
269.07349	0.4
271.06097	0.6
287.05664	0.3
291.10126	1.4
295.13449	0.3
305.11533	0.5
313.07071	0.6
323.12872	1.0
341.06708	0.6
341.10489	0.4
341.13913	1.2
342.20187	0.5
359.07431	0.3
359.16684	0.7
359.23163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36861	0.5
55.01881	0.6
55.05518	0.5
65.03934	0.7
69.03417	0.6
69.07056	1.3
70.06593	2.5
70.17371	1.2
70.17745	0.7
72.08180	2.1
74.02442	0.5
79.05491	0.7
81.07059	0.7
83.80934	0.4
84.04489	0.8
84.08147	5.9
85.02903	1.0
86.09708	22.1
87.05598	0.7
91.05491	1.1
93.07005	0.5
94.04174	2.6
98.20831	0.7
102.25004	0.4
103.05464	4.2
105.03416	0.4
105.06988	0.5
107.04951	1.0
109.02907	0.5
109.06523	0.9
116.07116	0.7
119.04936	0.8
121.06493	1.1
122.03658	6.4
127.03958	0.6
129.07016	0.7
129.10251	5.1
130.05096	0.6
131.04930	8.4
133.02850	0.4
133.06055	4.1
135.04422	1.1
137.05980	100.0
138.06331	0.7
145.06480	1.0
149.05937	2.0
151.03929	1.2
151.07561	1.8
157.06488	0.5
163.03951	1.8
163.07552	6.0
165.05470	1.6
171.04407	0.5
171.11263	1.2
175.07573	1.1
177.05508	1.3
177.09096	0.5
179.06975	1.6
187.07520	0.6
189.09184	0.7
197.07849	4.7
199.18047	5.7
203.05254	0.8
203.08589	1.3
205.08603	1.0
213.15997	0.5
223.09633	0.7
227.17509	3.7
231.08095	2.2
241.05032	1.7
246.14493	1.7
248.05801	0.4
248.08339	1.3
257.08771	0.5
259.07526	1.0
263.10785	3.0
269.04523	3.3
271.05975	1.0
276.07895	0.9
277.08472	0.6
287.05780	0.5
291.10175	6.1
292.10840	0.5
295.13336	0.6
305.11755	2.3
313.07251	0.6
323.12830	5.8
341.06531	0.9
341.13818	6.5
359.13126	70.4
359.22894	1.4
360.13443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.05093	0.8
55.01871	2.3
55.05508	3.0
56.05022	1.8
57.03423	2.8
59.40607	1.0
61.02927	4.7
64.59253	0.8
65.03948	0.9
67.05499	3.3
69.03432	12.3
69.07046	1.4
69.87762	0.8
69.92740	2.7
70.06594	8.2
71.04971	2.0
72.08160	22.1
73.02914	2.1
74.40862	1.1
79.05495	2.0
81.03405	4.8
81.07039	3.6
83.62244	1.0
84.04506	3.3
84.08147	6.9
85.02905	32.3
86.09703	11.2
87.04474	1.7
91.03954	2.6
91.05489	10.2
93.07053	5.1
94.04188	2.0
95.04971	3.0
95.08599	3.4
97.02895	12.1
98.97562	1.5
99.04459	1.6
103.05473	4.2
105.07021	7.8
107.04948	2.6
107.08598	51.3
109.02898	3.0
109.06527	3.0
109.10178	8.1
110.26590	1.1
111.04459	1.1
116.07108	2.0
117.07009	1.7
119.04936	1.8
119.08582	2.9
121.06506	3.3
122.03674	7.5
123.04384	1.4
125.02372	1.2
127.03934	6.6
129.10265	4.6
131.04919	9.9
133.10133	21.1
135.04449	1.0
135.11713	9.5
137.05983	100.0
137.09599	8.5
145.04965	9.3
149.05983	1.5
151.03897	2.3
151.07562	1.7
151.11183	3.2
157.06454	1.1
161.09619	8.1
163.03976	4.8
163.07516	7.8
164.48961	1.0
165.05478	2.2
171.65385	1.1
175.07579	2.9
175.26495	1.0
179.10674	19.2
181.05016	1.0
189.09096	1.4
197.11740	91.2
201.12424	0.9
203.08559	1.7
203.13947	1.8
223.09666	1.8
223.56691	1.5
227.41576	1.1
228.13441	1.2
231.08032	3.0
241.04907	3.1
241.08757	1.1
263.10596	3.1
269.04395	2.7
271.05927	4.2
291.10138	7.4
305.11813	1.8
313.07071	2.0
323.12671	5.1
333.58725	1.2
341.13892	6.5
359.16617	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	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.0
57.03442	10.1
60.83522	7.2
67.05510	90.5
69.03428	15.7
69.07091	12.4
71.04994	41.6
71.52653	12.6
79.05513	23.8
81.07072	39.4
83.04968	12.2
83.08615	12.0
87.04468	35.5
88.07674	9.6
91.05502	60.1
93.07059	37.2
95.04971	16.3
95.08616	59.1
98.94215	7.5
105.07045	30.4
107.08607	25.1
109.06498	9.3
109.10173	84.3
111.08133	9.0
117.07051	14.4
119.08574	41.1
121.06524	9.8
121.10131	9.5
123.08080	9.0
133.10141	87.2
135.08104	13.5
135.11678	9.4
137.05981	96.7
137.09648	41.6
151.11205	24.1
155.10719	27.4
161.09628	23.8
165.09132	8.6
169.12254	13.9
173.11755	100.0
179.10716	48.5
187.13374	29.1
211.13278	14.7
277.13885	12.5
291.19519	29.5
298.27560	9.5
309.20609	9.4
335.18973	15.3
358.16486	18.2
358.29404	24.0
358.33389	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	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.0
57.03442	10.1
60.83522	7.2
67.05510	90.5
69.03428	15.7
69.07091	12.4
71.04994	41.6
71.52653	12.6
79.05513	23.8
81.07072	39.4
83.04968	12.2
83.08615	12.0
87.04468	35.5
88.07674	9.6
91.05502	60.1
93.07059	37.2
95.04971	16.3
95.08616	59.1
98.94215	7.5
105.07045	30.4
107.08607	25.1
109.06498	9.3
109.10173	84.3
111.08133	9.0
117.07051	14.4
119.08574	41.1
121.06524	9.8
121.10131	9.5
123.08080	9.0
133.10141	87.2
135.08104	13.5
135.11678	9.4
137.05981	96.7
137.09648	41.6
151.11205	24.1
155.10719	27.4
161.09628	23.8
165.09132	8.6
169.12254	13.9
173.11755	100.0
179.10716	48.5
187.13374	29.1
211.13278	14.7
277.13885	12.5
291.19519	29.5
298.27560	9.5
309.20609	9.4
335.18973	15.3
358.16486	18.2
358.29404	24.0
358.33389	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	358.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.9
56.05006	0.8
57.03419	0.7
59.04990	1.1
62.06075	1.0
63.51452	0.5
67.05486	2.4
68.60157	0.6
69.07072	20.1
70.06594	2.8
70.17114	1.9
71.04954	0.7
72.08138	2.6
73.06560	3.3
79.05490	5.0
81.07042	2.5
82.06528	0.8
83.04977	4.9
84.04500	0.9
84.08112	1.1
85.06534	0.9
86.06068	22.1
86.09711	25.9
91.05479	1.6
93.07000	1.6
95.04959	0.9
95.08595	1.4
96.08136	6.7
97.06538	3.6
98.06035	1.5
98.09689	7.5
98.20828	0.6
99.04440	0.9
100.07617	0.7
101.06037	4.7
105.07024	1.7
107.08591	1.4
108.08105	2.7
109.06490	1.0
109.10080	0.8
110.09671	1.1
111.03835	0.6
111.04450	6.2
112.07558	1.2
114.09161	1.4
115.07547	2.1
116.10736	52.8
119.08568	0.8
121.06501	0.6
121.10134	0.7
122.03622	1.1
122.09644	2.2
124.07577	2.2
126.09136	1.1
129.05431	1.0
131.04985	0.7
132.10226	1.5
133.10129	1.7
134.09644	1.0
135.11621	0.7
137.05966	6.9
142.08635	6.7
151.11163	1.3
152.10683	0.8
154.08577	1.2
155.07027	1.0
158.11833	0.7
159.10193	3.8
159.11327	0.6
164.10728	0.9
170.15416	1.0
172.09669	2.0
173.08099	3.3
174.51393	0.6
178.12305	0.8
180.13818	0.7
182.15324	0.9
194.15398	1.7
196.13295	1.2
199.18068	6.5
212.16461	16.7
226.14464	3.7
227.17532	4.9
230.17519	100.0
231.17766	0.8
244.15482	11.9
245.18591	1.7
276.16147	0.6
291.10223	0.8
340.21341	5.8
341.13803	0.6
358.22287	22.1
359.07727	2.9
367.34991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
55.05513	12.3
56.05008	1.2
57.03409	1.0
59.04981	2.2
61.57351	0.5
62.06068	1.0
65.03916	0.5
67.05511	2.6
69.03423	3.0
69.07074	23.7
70.06605	3.2
71.04972	0.9
71.52210	0.9
72.08158	4.0
73.06541	3.2
74.89087	0.5
79.05505	7.0
79.89845	0.5
81.07058	6.6
82.06554	1.6
83.04979	9.5
83.08600	0.9
84.04482	1.9
84.08113	1.9
84.08612	0.6
85.02897	0.8
86.06073	25.9
86.09706	7.9
87.04452	1.6
91.05457	2.1
93.07049	2.9
95.01289	0.6
95.04947	1.5
95.08576	1.7
96.07595	0.7
96.08146	8.5
96.45972	0.5
97.02843	0.7
97.06519	4.0
98.06051	1.6
98.09702	13.4
99.04430	0.6
100.02193	0.7
100.07553	0.5
101.06026	7.6
102.14710	0.6
103.05460	0.6
105.07035	2.7
107.04943	1.0
107.08617	3.0
108.08120	4.3
109.06502	1.9
109.10146	1.4
110.06059	0.6
110.09682	1.2
111.03728	0.6
111.04450	9.7
112.03895	0.7
114.09146	1.7
115.07560	2.0
116.10739	59.4
119.04914	0.9
119.08560	2.1
120.08096	0.7
121.08846	0.8
121.10144	1.3
122.09653	1.8
123.08054	0.9
124.07610	4.4
126.09127	1.2
127.07520	1.4
129.05469	2.0
129.10182	0.6
131.04927	0.7
133.10120	1.7
134.09628	1.9
135.04495	0.6
135.11617	0.7
136.11205	0.7
137.05994	7.7
138.09161	1.8
140.03398	1.8
140.10699	0.8
141.09100	0.9
142.08647	12.4
145.10078	1.7
147.04370	0.7
147.06512	0.7
148.11165	0.5
151.11156	1.2
152.10767	0.9
154.08595	2.6
154.12286	0.6
155.07019	3.7
159.10153	3.4
159.11700	1.5
161.13165	0.7
164.10750	1.2
165.09125	3.5
166.12262	0.9
170.15437	0.7
172.03949	0.6
172.09726	3.5
173.08107	6.5
175.03874	0.6
176.14362	1.1
178.82272	0.5
180.06541	0.5
182.08151	4.5
182.15382	1.2
184.13315	0.6
190.08722	0.7
193.08578	1.4
194.08122	0.6
194.15422	3.8
198.14948	0.8
199.18120	1.3
201.16380	2.6
207.06540	1.2
208.13333	1.1
210.66913	0.5
212.16469	27.7
222.11252	2.2
226.14377	6.7
230.17525	100.0
231.17847	1.0
244.15457	12.1
250.10689	3.6
268.11868	3.6
322.12857	1.4
340.14514	3.7
340.21213	18.0
358.18039	1.0
358.22287	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	358.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05513	3.9
57.07056	1.4
58.99594	4.8
65.03929	1.9
67.05249	0.6
67.05516	7.6
67.82710	0.8
68.05002	0.9
69.03439	1.3
69.07056	3.3
69.15646	1.3
69.16055	5.9
70.02972	1.4
70.06595	2.0
71.04999	1.0
72.08166	1.7
73.01142	6.4
74.90815	0.6
76.02239	1.5
79.05147	0.7
79.05505	7.6
81.06594	1.5
81.07058	21.6
82.07420	0.8
83.04977	1.3
83.08642	1.1
84.04509	1.7
84.08109	0.9
85.06531	1.8
86.00658	9.9
86.06052	0.7
86.09709	26.1
86.99043	3.6
87.04459	1.4
88.02211	2.1
88.04002	4.5
91.05075	0.7
91.05499	7.7
93.07050	18.0
94.06559	1.1
95.04960	2.1
95.08611	18.2
96.08153	2.3
97.02882	2.1
97.06519	1.5
99.00862	0.8
99.02670	1.6
99.04441	2.5
100.02213	1.0
104.07108	0.9
105.00080	2.1
105.07040	14.2
106.06572	1.0
107.04929	1.2
107.08604	11.1
108.08125	0.9
109.06518	2.4
109.10162	4.1
110.09716	0.9
111.02678	1.1
111.08123	1.4
113.04232	0.9
117.07033	3.5
117.85143	0.7
119.08600	4.4
120.08119	1.7
121.10151	8.4
122.02742	2.6
122.03596	1.0
122.09660	1.1
123.08054	2.2
123.11713	23.0
124.07607	0.9
124.12090	0.8
125.04216	0.9
125.09606	0.9
126.09145	0.8
129.06993	0.7
131.04950	1.5
131.08546	2.0
132.01141	11.9
132.10219	1.0
133.10143	7.4
135.08028	0.8
135.11765	4.6
137.04291	1.0
137.06001	13.3
137.09601	1.2
138.25381	0.7
140.10768	0.8
143.08525	1.4
145.03148	4.8
145.10103	5.3
146.09607	1.0
147.08095	0.9
147.10561	1.0
147.11668	4.8
149.09550	1.3
151.03860	0.9
151.11211	1.2
152.14232	1.1
159.11662	4.4
160.11208	2.1
161.09625	8.7
161.11926	0.8
161.13264	1.5
162.12802	3.7
163.07562	0.9
163.11163	4.3
165.12776	1.6
172.04221	1.7
174.02272	1.2
174.12886	0.8
177.12656	1.0
178.15840	1.3
179.10600	1.6
180.13893	4.7
182.10088	0.7
189.09056	3.5
194.09995	1.2
201.16243	1.3
207.10269	0.9
209.28424	0.7
214.05424	0.8
214.18076	2.8
218.08412	0.8
219.17403	1.5
220.11543	1.8
225.11250	2.5
226.09050	1.0
227.13940	2.0
238.12639	5.5
242.13785	0.9
244.09984	2.0
245.18675	3.0
256.13898	0.8
266.12097	7.6
284.13101	9.8
294.18887	1.8
322.18353	1.8
340.19424	100.0
341.19757	1.4
358.14505	1.4
358.20493	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	358.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.76589	0.7
55.01886	1.1
55.05508	2.9
57.07062	0.9
58.99587	3.7
61.98404	0.7
65.03920	0.9
67.05509	8.7
69.03435	1.3
69.07056	3.3
70.06587	1.6
71.04996	1.3
72.08146	1.4
73.01148	7.0
76.02220	1.1
76.82238	0.9
77.03914	0.6
77.09423	0.6
79.05495	7.6
81.06592	1.1
81.07062	19.8
83.04971	1.2
83.08621	1.6
84.04520	1.0
84.08145	1.1
85.06554	1.3
86.00663	8.4
86.06067	1.3
86.09714	26.1
86.99054	3.0
87.02675	0.8
88.02204	2.0
88.03983	2.7
91.05484	6.6
93.06481	1.3
93.07048	19.1
95.04988	1.7
95.08617	18.3
96.08146	0.8
97.02882	1.3
97.06518	1.0
99.02672	2.2
99.04453	2.7
104.25974	0.6
105.00091	1.7
105.07037	13.1
106.06544	1.1
107.04964	1.3
107.08596	10.5
108.08116	1.3
109.06538	1.3
109.10151	2.9
110.09693	1.3
111.08065	1.1
117.06252	0.8
117.07032	2.9
119.08590	4.9
120.08105	1.6
121.06501	1.3
121.10159	7.9
122.02719	3.0
122.03529	1.0
122.09656	1.1
123.08070	2.3
123.11715	21.8
124.07657	0.8
125.04211	0.8
125.09648	0.8
126.03719	0.9
128.06265	0.8
131.04907	0.8
131.08565	2.5
132.01160	9.4
132.10220	0.7
133.06453	1.0
133.10149	7.0
135.08139	0.7
135.11728	4.1
137.05992	7.6
137.09579	1.6
138.06303	0.9
142.06906	0.6
143.08598	1.1
145.03209	4.1
145.10146	6.5
146.02710	1.1
147.11708	3.2
149.09587	0.7
151.03830	0.8
151.11166	1.1
152.14357	1.0
153.12717	0.7
159.11716	4.6
160.11179	2.0
161.09625	6.4
161.13258	1.7
162.12761	4.0
163.11208	4.7
164.05293	0.8
165.09076	0.9
165.12743	1.5
172.04338	1.6
174.02130	0.6
179.10710	1.2
180.13869	5.0
186.05879	0.7
188.07364	1.0
189.09131	3.4
194.09956	1.4
195.08357	1.0
200.09267	1.1
201.16405	1.4
207.10133	1.1
214.18069	1.2
219.13846	1.2
219.17462	0.9
220.11569	1.9
224.07286	0.9
225.11197	2.3
227.13968	1.4
229.17772	0.7
238.12592	4.8
244.10081	2.3
245.18614	2.2
266.12140	8.4
276.17883	0.7
284.13162	10.8
293.98831	0.7
294.18839	1.9
322.18442	1.9
340.19443	100.0
341.19821	1.3
358.13824	1.0
358.20596	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	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.9
62.06092	75.8
67.05510	32.6
69.30830	80.7
69.31237	22.9
72.45716	13.0
79.05503	26.9
81.07054	31.7
95.08599	17.1
121.06501	21.2
122.06846	13.8
122.24865	13.2
137.05952	46.6
138.06403	30.2
145.06442	14.4
147.07802	16.6
149.05956	16.1
151.07550	43.4
152.07875	32.9
177.09126	27.6
178.09422	34.9
183.91946	14.6
201.09077	14.9
202.09593	13.1
209.09346	13.5
226.18004	21.2
247.10858	13.9
263.10544	13.7
275.10037	15.1
277.21664	16.3
284.10269	16.5
285.10791	41.4
286.11526	22.3
292.10403	32.3
298.11749	18.0
306.12155	90.9
307.12918	32.5
320.25897	100.0
324.13016	36.0
326.14893	13.4
334.01819	14.6
338.14600	61.6
338.26947	42.7
356.15665	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29593	9.4
54.48079	9.6
59.53288	9.9
70.32354	10.2
71.12856	11.1
71.13181	14.4
79.05513	11.1
81.07119	11.3
91.05465	12.0
97.89588	10.4
121.06498	30.0
122.06866	17.4
137.05991	77.4
138.06340	33.9
146.07288	11.0
147.07635	11.3
149.06013	24.6
150.06340	20.4
151.07524	32.9
152.07922	32.3
170.13887	11.1
177.09142	36.5
178.09453	38.5
202.09465	17.8
241.08536	13.4
242.08952	22.2
254.09320	12.2
255.09840	15.7
264.10968	16.0
270.08514	19.5
274.09747	11.0
276.70361	11.7
277.48529	10.3
278.12772	14.1
280.10806	12.6
285.10934	47.8
286.11591	30.4
292.10397	22.5
296.13721	17.5
306.12070	100.0
307.12845	25.3
311.12393	16.7
323.12320	16.0
324.13141	42.4
338.14780	69.4
356.15866	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24285	7.9
55.05519	8.9
57.03435	7.6
59.16000	7.0
67.05502	19.3
69.07071	11.2
70.24427	9.6
70.24766	30.1
79.05493	19.0
81.07055	29.5
83.08593	9.9
85.02917	9.5
85.06533	8.1
91.05476	30.7
92.54322	8.2
93.07042	23.4
93.65830	7.1
95.08598	15.7
105.07016	19.2
107.04915	8.4
107.08579	10.2
109.02966	8.1
117.06972	12.9
119.08574	14.5
121.06504	26.3
126.45826	7.5
131.08559	14.6
133.10159	9.3
135.33197	7.2
137.05997	60.1
138.06311	35.2
145.06456	10.9
146.07224	13.1
146.61514	8.5
147.07698	17.7
149.05975	26.2
150.06364	12.6
151.07549	35.2
152.07892	29.2
165.05484	13.8
175.07346	9.9
175.14809	7.1
177.09102	38.9
178.09453	40.3
185.13284	13.5
187.07468	10.1
188.07974	9.0
189.08920	12.0
201.04329	13.3
201.09247	13.1
202.09474	19.0
221.15309	11.0
227.06625	8.1
229.07384	12.5
232.10667	13.7
241.08549	11.2
242.08910	18.5
246.10133	11.8
247.10808	11.6
248.07935	9.6
255.09637	11.2
263.10300	12.8
264.10788	10.7
270.08542	19.3
270.11047	12.1
275.10269	19.1
275.20120	31.3
278.12589	17.7
283.08908	8.9
284.10190	8.4
285.10840	42.2
286.11502	30.0
291.09778	19.0
292.10541	25.8
294.12045	9.6
296.13599	14.7
306.12103	100.0
307.12854	22.2
311.12283	9.2
323.12354	12.7
324.13120	13.5
333.19049	9.1
338.14615	68.7
356.15671	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	356.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01866	2.7
55.05515	13.7
56.05030	0.8
56.96572	0.8
57.08829	0.7
58.06599	1.0
58.71169	0.9
58.99585	4.7
65.03943	2.3
67.05511	7.9
69.03425	2.6
69.07063	4.0
70.06587	2.7
70.49186	3.0
71.04999	1.4
71.31199	0.9
72.08171	1.0
73.01137	2.7
73.04767	0.8
73.05391	1.0
74.06094	0.9
75.56026	0.9
76.02228	0.9
79.05500	12.6
81.03426	1.3
81.07062	30.3
82.06606	2.5
83.04987	47.0
83.08622	2.8
84.04495	4.3
85.01115	1.2
85.06539	1.2
86.00663	9.4
86.09708	14.4
86.99052	3.2
88.02226	1.1
88.04002	1.6
91.05484	22.9
91.06032	1.8
92.06257	1.6
93.07051	53.1
94.06571	5.8
95.04986	5.0
95.08613	9.4
96.08141	2.2
97.01138	2.3
97.02908	1.4
97.06523	1.2
99.02701	4.7
103.05444	1.2
105.00107	1.8
105.04513	1.0
105.07028	10.5
107.08586	6.4
108.08140	2.4
109.06506	1.5
109.08965	1.1
109.10149	3.2
110.09684	2.2
111.02642	1.6
111.08082	5.4
112.07626	2.0
113.04300	2.0
114.03775	1.7
117.07021	1.6
119.08572	6.3
120.08089	1.3
121.06532	4.7
121.08844	1.1
121.10165	12.6
121.41601	0.8
122.02751	1.3
122.03638	0.9
122.06836	1.8
122.09677	8.0
123.08087	1.6
123.11698	2.5
124.07620	2.7
124.11244	2.2
125.04250	8.7
125.60258	0.8
126.03767	4.3
127.05794	1.5
129.06598	1.4
131.08578	3.4
132.01164	16.9
132.05321	0.8
132.10193	4.8
133.10144	13.8
134.09634	1.9
135.10530	1.1
135.11714	2.4
136.11165	1.3
137.02962	1.3
137.06003	9.4
137.09630	2.5
138.05421	1.6
138.06398	4.8
138.09117	1.5
139.05753	1.0
140.10709	2.8
143.06364	0.9
143.08559	1.8
145.03189	3.6
145.06520	1.2
145.10141	2.3
146.02681	1.0
146.07269	2.9
146.09668	1.6
146.19377	0.8
147.07779	1.2
147.10516	1.2
147.11681	1.2
148.11255	2.0
149.06012	3.1
149.09647	7.7
149.12097	1.2
150.06421	1.3
150.12798	3.6
151.05757	1.0
151.07559	4.7
152.05316	11.8
152.07936	2.8
154.06851	1.6
154.08640	2.1
154.31807	0.9
155.08945	1.5
157.10146	3.2
159.11725	1.7
160.04233	2.5
160.11256	2.2
161.05966	1.0
161.09627	1.9
163.07504	1.4
165.07423	2.3
165.09013	1.7
166.05768	1.0
168.07387	0.9
170.06508	2.8
172.04257	1.7
172.09744	1.9
172.11115	1.1
175.07455	1.6
176.07904	1.9
177.05475	1.5
177.09113	4.7
178.09457	6.1
180.08504	1.7
182.09985	2.0
188.07709	1.0
197.12933	3.4
198.04189	0.7
198.05849	18.6
199.14967	2.0
202.09456	1.5
206.11836	2.1
207.08049	1.2
208.11627	1.4
210.05948	2.3
212.07639	0.9
214.05585	1.0
216.06874	8.4
216.08499	0.8
217.15973	3.7
224.07516	2.6
226.09027	4.4
228.07033	1.5
228.10583	2.7
235.07549	1.7
236.07887	1.2
236.11256	1.1
237.05464	1.1
238.09184	1.5
241.08635	0.9
242.08975	2.6
246.09987	1.6
250.09163	0.9
252.10689	1.4
253.08792	1.1
254.09547	1.8
254.12077	7.7
255.09996	1.1
262.09628	1.0
263.10327	2.1
264.07700	1.1
264.10995	2.0
270.08621	1.7
271.09250	1.1
275.10321	2.2
277.08609	0.9
278.12662	2.4
281.08237	2.4
282.11703	3.0
284.10382	1.4
285.10764	5.3
286.11572	3.1
291.09750	1.6
292.10522	2.1
292.17242	8.5
296.13480	2.0
298.11533	1.5
306.12103	10.9
307.12921	2.6
311.12509	1.2
320.16849	8.2
323.12375	1.2
324.13284	3.4
326.11218	1.5
326.14807	2.2
338.15048	4.9
338.17908	100.0
339.08795	1.3
339.18167	2.4
356.19025	79.9
357.19287	2.1
378.74597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01872	2.5
55.05503	6.8
57.03419	3.8
58.06581	6.8
58.99595	11.2
65.03930	1.9
67.05513	9.8
69.03415	5.1
69.07066	12.2
70.06590	7.7
70.47053	3.0
70.47379	3.0
71.04977	6.4
72.96595	1.4
73.01144	11.4
76.02208	2.7
79.05485	17.1
81.06599	2.9
81.07063	41.3
83.04971	4.5
84.04495	1.7
86.00663	24.1
86.06026	2.2
86.09700	3.2
86.99037	6.4
87.02705	1.9
88.02211	8.6
88.03996	3.3
91.05491	15.8
93.07049	38.0
95.04984	4.4
95.08601	12.9
97.02866	3.0
97.06548	9.6
98.06043	3.4
99.02657	3.9
100.02209	1.7
105.00085	5.9
105.07039	27.1
106.06553	1.9
107.08583	13.0
108.08143	6.2
109.06515	10.9
109.09461	1.6
109.10160	9.0
110.06036	9.1
111.08101	3.3
115.05504	2.0
116.01690	3.1
117.07008	3.5
119.08586	26.0
121.06541	8.1
121.10148	51.1
122.02731	5.2
122.03580	1.8
122.06829	1.8
123.08099	4.5
123.11752	2.8
124.07603	2.0
125.09617	6.4
126.03663	2.0
128.06178	2.1
129.07089	2.5
131.04945	2.3
131.08549	5.7
132.01161	34.6
133.06528	2.1
133.10123	16.2
134.02690	2.1
137.05974	17.0
137.09650	10.0
138.03697	5.0
138.06319	4.6
139.11160	3.7
140.05284	5.1
142.03204	3.0
143.08589	9.2
145.03162	5.8
145.06496	2.9
145.10109	4.1
146.02682	2.0
146.07214	4.1
147.07770	4.1
147.11691	24.8
148.11258	3.0
149.05949	4.2
149.09610	12.4
150.03705	2.8
150.06303	2.8
151.07568	9.9
152.07858	4.7
153.08942	1.7
154.08644	2.3
157.10161	3.8
159.11713	5.4
160.11197	7.6
161.09628	29.8
162.05823	8.9
163.11192	8.6
165.05559	3.2
165.09131	4.1
165.12747	3.6
168.04796	5.8
172.04300	3.0
175.11177	5.7
176.07936	1.8
176.14287	1.9
177.09062	9.1
178.09441	7.0
178.12262	4.3
184.04276	3.4
186.05832	2.5
188.07597	2.2
189.12646	2.7
189.16359	8.0
190.09447	2.1
193.12358	1.9
196.04251	7.9
199.14818	5.7
201.09045	2.9
202.05399	1.9
202.09436	4.6
214.05370	16.1
217.15877	40.3
218.64186	2.1
226.09100	2.4
228.06938	3.9
232.10536	2.1
235.16888	13.6
236.11058	5.8
240.07486	1.6
241.08754	1.8
242.09013	3.0
252.07976	2.2
252.10568	9.4
255.09738	3.8
256.09976	2.6
263.10202	2.5
264.07718	2.4
264.10617	6.3
268.13614	2.1
270.08612	3.5
270.11627	3.3
271.09296	2.0
278.12415	3.3
282.11600	21.6
284.10556	1.9
285.10873	10.4
286.11508	5.1
291.09781	3.0
292.10437	5.3
292.17480	3.6
296.13660	3.9
298.11313	2.2
306.12027	16.8
307.12750	5.0
308.09866	1.8
311.12405	3.7
320.16736	7.2
320.68106	1.9
323.12427	2.4
324.09601	2.3
324.13083	3.9
326.14703	4.4
338.14508	9.9
338.17896	100.0
338.26501	3.1
339.08578	4.1
356.11835	3.8
356.15573	12.0
356.19180	52.5
357.18741	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	356.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01863	2.6
55.05513	11.2
58.06595	1.2
58.99575	3.7
61.59215	1.1
65.03929	1.3
67.05510	8.0
67.48110	1.0
69.03416	1.7
69.07061	4.4
69.53560	7.2
70.06574	1.5
71.86096	1.0
72.08167	1.3
73.01141	2.8
79.05489	11.0
81.07059	30.0
82.06574	1.3
82.07365	1.4
83.04986	46.7
83.08624	1.7
84.04500	3.9
84.08144	2.4
85.01112	1.1
86.00653	11.2
86.09708	12.9
86.99061	1.3
88.02188	1.6
88.03994	1.8
91.05491	22.8
93.07047	54.2
94.06567	5.5
95.04980	3.4
95.08599	9.2
96.08144	2.0
98.21527	1.3
99.02696	2.5
100.02166	1.5
103.05485	1.2
105.00094	1.8
105.07040	9.6
107.08585	6.0
108.08123	2.5
109.06506	3.7
109.10175	3.3
110.09657	2.6
111.02647	1.5
111.08091	6.4
112.07613	1.7
114.03748	1.1
115.05554	1.3
119.08593	3.2
121.06514	3.4
121.10149	11.4
122.06822	1.2
122.09660	8.1
122.56454	1.0
123.08144	1.6
123.11736	3.0
124.07589	2.8
124.11244	1.5
125.04220	9.3
126.03735	3.5
127.02151	1.3
127.05750	2.0
131.08592	3.9
132.01147	18.5
132.10237	6.8
133.10152	10.5
135.08107	1.3
136.07594	1.2
136.11185	1.3
137.05995	4.4
137.09605	1.3
138.03661	1.1
138.06342	2.6
138.09186	1.7
139.05763	1.1
140.10738	4.0
143.08629	1.3
145.03210	3.1
145.10121	2.0
146.07167	1.0
146.09637	1.5
147.04425	1.5
147.07651	1.3
147.11673	1.0
148.11237	2.2
149.05998	2.1
149.09625	7.6
150.12798	4.0
151.07549	2.7
152.05276	10.5
152.07895	2.0
153.07278	1.2
154.06860	1.7
154.08615	2.2
157.10175	2.3
157.83818	1.2
160.04344	3.2
160.11243	2.1
170.06377	1.4
172.04211	2.2
172.09799	1.9
173.79362	1.1
175.07611	1.3
176.07878	1.8
177.05554	1.2
177.09183	3.8
178.09482	1.9
180.08542	1.7
182.09964	1.3
183.07907	1.1
187.82727	0.9
197.12920	3.2
198.05850	17.5
199.14789	2.1
202.09430	1.2
203.61768	1.2
206.11786	2.0
210.05942	1.4
216.06929	6.5
217.15869	5.0
224.07529	3.2
226.09006	4.6
228.10469	2.6
238.09114	1.5
242.08975	1.7
254.12157	8.2
262.09512	1.5
264.10889	1.9
271.09198	1.3
279.06665	1.3
282.11533	1.4
284.10504	1.2
285.10965	3.6
286.11588	2.3
292.10577	1.2
292.17374	6.8
296.10101	1.5
306.12033	6.8
320.16837	8.3
324.09689	2.0
326.14740	1.3
338.14532	3.4
338.17865	100.0
339.08633	1.6
339.18250	1.9
356.15826	4.5
356.19012	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05523	4.0
57.03446	1.8
58.06600	9.0
58.99595	12.1
65.03942	2.3
65.62525	1.4
67.05505	9.1
67.56018	1.2
69.03437	3.8
69.07072	12.3
70.06616	1.7
71.05005	1.9
71.28235	2.5
73.01141	14.6
76.02219	2.3
79.05492	18.4
81.07059	39.1
81.98679	1.4
82.06577	4.0
83.04970	3.5
83.08625	1.5
84.04504	4.9
86.00656	22.3
86.06038	1.5
86.09705	2.3
86.99058	5.8
88.02205	9.0
88.04005	1.5
91.05487	13.5
93.07050	32.6
94.06549	1.5
95.04959	3.7
95.08611	11.8
97.02932	2.3
97.06544	8.2
98.00618	1.7
98.06049	1.5
99.02687	5.9
100.02197	1.8
105.00097	5.1
105.07043	19.9
106.40402	1.3
107.08608	11.4
108.08128	7.3
109.06549	7.2
109.10149	5.5
110.06023	8.6
111.08079	3.1
114.89110	1.8
114.93683	1.2
115.05397	1.2
116.01688	3.5
117.07000	4.1
119.08593	25.5
121.06508	5.9
121.10151	48.2
122.02716	6.0
122.06008	1.7
123.08064	4.8
123.11742	1.4
124.07637	1.7
125.09604	9.4
126.03761	1.8
128.06247	2.5
131.08578	5.7
132.01166	36.7
132.08165	2.1
133.10143	15.1
134.02721	2.0
134.09637	1.9
134.10593	1.5
135.08052	1.9
135.11751	1.6
136.07538	1.2
137.04236	1.5
137.05984	5.3
137.09601	7.2
138.03729	2.7
138.06363	3.3
139.11238	2.3
140.05319	4.0
142.03255	2.0
142.07866	2.4
143.08572	8.8
144.04608	2.1
145.03171	8.4
145.08980	2.2
145.10144	4.4
146.07260	2.8
146.09666	1.6
147.08043	2.7
147.11690	30.3
148.11186	2.7
149.09604	11.6
150.03824	2.2
151.07559	3.1
157.10130	3.2
159.10481	2.2
159.11696	4.0
160.11256	6.6
161.09627	23.5
161.13251	3.4
162.05867	7.2
163.11174	7.7
165.09184	2.5
165.12801	2.0
168.04767	7.2
170.22121	1.6
172.04146	4.4
172.09778	1.4
172.11176	1.9
175.11229	4.5
176.14314	2.0
177.09155	1.6
178.09479	2.6
178.12276	3.3
184.04285	2.7
186.05887	4.3
188.07457	3.2
189.16429	5.7
192.08327	1.8
196.04327	8.9
199.14848	3.5
200.03799	1.6
204.06613	4.1
214.05316	12.2
217.15895	40.6
235.07121	1.6
235.16902	11.8
236.07875	2.1
236.11133	4.5
240.07230	1.5
242.08774	2.8
244.09891	2.5
248.07988	1.5
252.10532	13.1
255.09807	2.8
256.10013	2.4
264.07751	2.0
264.10590	7.9
268.13712	2.6
270.08542	1.9
270.11511	1.6
282.11618	22.3
285.10773	3.3
286.11588	1.9
291.09888	1.3
296.10028	2.9
296.13480	1.8
298.11609	1.7
306.12076	7.8
307.12793	2.5
308.09872	1.4
320.16772	6.7
323.12485	1.6
324.13159	1.5
338.17871	100.0
339.08572	4.4
339.18188	1.9
355.81067	1.8
356.11823	2.7
356.19028	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
55.05510	28.5
57.03430	8.6
57.07063	10.4
58.38312	2.8
65.03927	4.0
67.01835	3.2
67.05507	71.7
69.07070	28.4
69.19368	20.9
69.19792	7.5
71.04981	4.2
71.08625	7.0
79.05502	23.2
81.07056	100.0
82.07948	2.6
83.08624	29.0
84.05933	3.0
89.64088	3.0
91.05480	20.5
93.07042	24.9
94.72913	2.8
95.08611	84.8
97.06537	6.1
97.10165	13.7
99.08101	4.0
105.07032	13.9
107.08598	21.6
109.06509	3.9
109.10156	36.8
111.11699	5.6
117.07017	4.5
119.08557	14.4
121.06493	18.1
121.10150	25.8
122.03651	4.2
123.11717	24.6
125.13197	3.5
131.04892	3.8
133.10153	16.0
134.07315	3.3
135.11746	17.1
136.05159	3.2
137.05983	43.0
137.09605	5.1
137.13235	5.5
145.06528	6.9
146.07277	19.6
147.04399	3.0
147.11633	10.9
149.05966	16.4
149.13261	8.1
151.07535	31.1
151.14815	4.5
155.14243	3.9
157.06544	7.6
158.07263	4.3
160.05173	3.5
161.13271	13.6
162.06816	5.7
163.07521	3.4
163.14796	13.9
165.05424	7.0
165.16391	9.2
166.83493	3.5
174.06932	2.9
175.07607	7.3
175.14796	10.2
177.05447	16.4
177.09111	32.0
179.07068	4.3
179.17984	4.8
187.07503	7.3
188.08308	5.1
189.09140	5.1
189.16382	6.1
201.09169	16.5
203.10677	5.4
203.18088	3.6
207.86479	3.2
219.08022	4.3
220.08914	4.6
231.10121	7.4
241.08604	11.4
245.09590	6.1
245.22652	51.2
246.10384	3.7
247.07545	6.3
253.08575	4.0
254.09399	6.8
255.06580	4.9
261.09009	6.2
262.09909	4.2
263.10666	10.8
263.23694	55.8
269.08054	10.7
270.08914	5.7
273.09174	3.9
274.09842	10.6
275.10623	5.4
277.12079	5.5
279.10150	3.8
284.10370	27.6
285.11169	15.0
290.09238	5.7
291.10236	17.7
294.12500	3.6
295.13397	9.3
297.11075	9.5
305.11731	54.8
306.12396	15.7
307.09668	7.1
310.12030	5.6
322.11987	9.0
323.12698	14.4
325.14261	8.6
337.14349	31.8
337.27390	37.4
355.15417	45.9
355.28479	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	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01869	2.6
55.05514	29.6
57.03435	8.5
57.07081	10.3
65.03937	2.8
67.05508	78.8
69.07073	37.7
71.04980	3.5
71.08638	5.9
75.04464	2.1
79.05494	25.7
81.07062	100.0
83.04993	2.2
83.08636	27.7
85.02985	1.8
85.06544	3.6
91.05474	21.8
93.07051	31.0
95.04970	3.2
95.07990	4.2
95.08611	88.4
97.06528	6.6
97.10181	21.4
98.21468	4.2
99.08099	5.9
101.62574	1.5
103.05503	2.3
105.07037	15.9
107.04986	2.3
107.08591	20.2
109.06562	3.7
109.09479	3.4
109.10168	46.2
111.08106	7.0
111.11717	7.9
113.09666	2.9
117.07058	2.5
119.08594	14.8
121.06509	11.9
121.10146	26.3
122.03657	3.4
123.11723	21.1
125.09631	2.2
127.11221	2.4
131.04924	3.2
133.02826	1.7
133.10130	18.8
135.11700	16.0
137.05992	34.5
137.09727	2.5
137.13278	7.3
139.11176	2.0
141.12825	2.6
144.05710	2.0
145.06500	4.4
146.07268	12.8
147.04475	2.1
147.08044	2.3
147.11705	14.7
149.05984	19.4
149.13289	12.1
151.07561	23.8
151.14870	9.6
157.06459	4.8
161.12189	1.6
161.13306	12.5
162.06766	3.4
163.07425	1.8
163.14839	13.5
165.05481	7.4
165.12856	2.0
165.16393	7.5
174.06920	1.6
175.07524	5.2
175.14844	8.6
177.05502	9.3
177.09097	28.6
177.16478	3.2
177.95250	1.6
179.07043	4.1
179.17979	7.0
187.07573	3.1
188.08363	2.8
189.09146	5.0
189.16389	6.0
191.06976	2.2
201.07596	1.8
201.09076	10.6
203.10663	2.6
203.17975	3.3
211.07536	2.0
215.08630	2.1
219.08156	4.3
225.09129	2.3
226.06320	2.7
227.07037	2.8
231.07959	4.2
231.10132	4.2
233.09592	3.2
234.10316	1.8
239.07152	2.5
239.40691	1.8
241.08632	8.0
245.09630	2.8
245.22690	52.2
246.10376	4.1
247.07556	2.2
247.24052	2.6
248.08679	1.8
254.09415	6.4
255.06305	2.0
261.09158	5.1
262.09912	7.6
263.10596	4.1
263.23715	57.3
264.07892	2.3
264.24057	2.1
269.08093	7.2
270.08807	3.7
273.09198	4.1
274.09869	5.9
275.10730	4.9
277.12207	4.5
279.10251	3.4
284.10391	16.3
285.11206	9.8
290.09415	6.6
291.10132	9.2
295.09875	2.1
295.13309	6.6
297.11429	3.8
305.11737	33.1
306.12546	10.8
307.09607	3.5
310.11884	4.4
323.12927	10.9
325.14285	5.2
337.14365	22.5
337.27396	42.7
338.33813	2.0
355.15390	27.9
355.28558	9.8
356.35294	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.05513	25.5
55.14326	2.9
57.03438	6.9
57.07073	14.5
57.82669	2.6
61.95965	2.6
63.30486	2.4
65.03942	4.3
67.05505	79.7
69.07072	36.4
70.86809	7.0
71.04987	7.0
71.08638	4.6
72.95057	2.6
79.05494	29.2
81.07058	100.0
83.08624	33.7
85.06538	3.8
85.10194	7.0
88.07685	3.5
91.05465	31.4
93.07053	32.5
94.04178	3.9
95.07991	4.1
95.08606	73.8
97.06525	10.0
97.10164	21.6
99.08100	3.4
103.05498	3.0
105.07033	14.5
107.04947	5.3
107.08602	21.3
109.06532	3.4
109.10158	39.8
111.08062	4.6
111.11753	6.5
113.09650	4.3
115.05432	4.0
117.07023	7.7
119.08561	15.4
121.06509	28.7
121.10133	27.1
122.03643	6.8
123.04617	2.6
123.11705	23.3
125.09640	3.1
129.06952	3.1
131.04926	5.1
131.08536	3.7
133.10117	18.2
135.11696	16.9
136.05159	5.7
137.05981	79.8
137.13271	9.4
144.05725	3.4
145.06485	11.0
146.07286	31.9
147.04395	4.3
147.08049	5.1
147.11682	14.8
149.06006	32.4
149.13280	13.1
151.07547	58.0
151.11259	3.4
151.14850	8.3
157.06505	5.8
158.07301	6.0
161.06027	4.4
161.13278	17.4
162.06744	7.0
163.03983	4.0
163.07626	4.3
163.14845	12.1
165.05521	13.3
165.09137	5.0
165.16429	9.8
172.08861	3.8
173.06013	3.4
174.06813	3.6
175.07582	9.2
175.14821	10.1
177.05522	20.3
177.09125	62.2
177.16364	5.5
179.07025	9.6
179.18059	4.2
185.15416	2.8
187.07576	7.1
188.08319	6.8
189.09120	10.3
189.16435	7.2
191.07063	3.5
199.07426	2.7
201.09142	35.7
203.08688	3.1
203.10735	7.9
211.07571	6.5
213.09015	3.2
217.08522	5.8
218.07285	3.1
218.21622	2.7
219.08029	7.8
219.10115	3.4
226.06206	3.8
227.07086	6.7
231.08084	8.1
231.10191	10.2
233.09627	6.9
235.07649	5.7
235.11162	6.2
239.07082	8.5
241.08565	22.7
245.09641	9.5
245.22658	50.5
246.10422	5.6
247.07564	11.9
248.08249	4.7
251.10884	4.3
253.08649	4.5
254.09421	16.5
255.06703	6.9
259.07510	5.0
261.09125	10.5
262.09930	11.3
263.10669	12.3
263.23718	50.2
269.08020	18.2
270.08929	14.5
273.09064	4.7
274.09851	13.0
275.10645	4.3
276.07864	3.4
277.12302	11.2
279.10138	8.3
280.10950	3.5
284.10452	45.6
285.11215	29.8
290.09384	9.0
291.10104	26.4
293.11633	5.6
294.12604	3.6
295.09937	5.9
295.13318	19.3
297.11215	10.6
299.26038	3.4
305.08234	5.7
305.11713	96.4
306.12454	27.1
307.09662	9.8
310.12067	10.1
321.11029	3.7
322.12021	7.1
323.12854	23.0
325.14352	13.2
329.35513	2.9
337.14374	63.4
337.27408	37.2
355.11325	5.4
355.15378	68.1
355.28369	9.3
356.35193	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01876	7.4
55.05502	1.2
57.03437	5.1
61.02929	6.4
67.81373	0.9
68.99791	2.6
69.03432	33.9
69.36538	2.1
69.36936	6.2
70.06602	1.5
71.04990	4.3
73.02931	5.8
80.36147	0.9
81.03423	21.3
81.07056	2.7
83.01324	1.0
83.04985	1.1
85.02909	100.0
86.09731	1.2
87.00832	52.7
87.04479	1.2
87.14617	0.9
91.03924	1.5
91.05489	2.0
93.07033	1.4
97.02896	33.0
99.04467	12.7
104.07123	2.8
105.01871	88.6
105.07018	1.0
106.56041	0.9
107.08631	1.5
108.04494	2.3
109.02883	25.7
113.50514	0.9
115.03905	1.5
117.01846	1.3
117.06991	1.5
120.46026	0.8
121.06579	2.7
126.05614	1.1
126.06734	1.0
127.03922	78.9
129.01852	4.3
135.08064	1.1
137.05966	5.1
145.04967	35.6
146.07320	1.7
147.02867	3.0
147.04427	2.7
149.05978	2.2
151.07549	4.9
159.02911	12.4
164.10820	0.9
177.05487	2.0
177.09062	5.3
189.03952	3.9
201.09103	1.8
212.03778	0.9
213.03957	3.3
215.14410	1.3
231.05006	22.8
248.07773	1.3
249.06027	8.2
253.08638	1.4
261.09030	1.0
269.08008	1.7
274.09985	1.5
277.12244	1.2
284.10535	3.4
285.11328	3.0
295.13336	1.8
297.11194	1.2
305.11673	7.1
306.12579	2.2
311.59970	1.0
323.12677	2.9
337.14603	4.8
354.26617	2.3
355.15277	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21619	10.9
54.57094	8.0
67.05508	15.7
67.19836	8.0
67.36531	10.2
69.07045	8.5
70.06580	12.3
70.86954	21.1
81.07052	21.9
83.77719	9.6
88.07614	14.5
91.05484	11.2
137.92755	9.2
146.07292	10.6
151.07524	12.2
168.28160	9.1
170.60713	10.8
205.86162	9.3
234.09077	8.8
272.16620	10.5
354.33713	100.0
355.15616	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	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.05510	24.0
62.06098	6.9
62.47409	4.6
67.05499	19.9
69.07080	15.6
70.49606	9.6
71.05011	5.4
79.05482	20.7
81.07066	31.8
83.08617	10.4
84.50837	4.2
91.05477	30.5
93.07038	25.0
95.08611	16.3
97.06525	19.2
97.10178	5.3
97.57357	4.3
98.06870	4.6
105.07036	30.8
107.04949	8.4
107.08588	15.2
109.06532	8.2
117.07032	15.5
119.08592	20.1
121.06523	12.7
121.10159	13.2
123.08084	4.7
125.09698	4.1
129.07019	11.9
131.08591	54.6
133.10172	12.6
135.11694	8.4
137.06021	20.6
139.11208	5.8
141.06975	5.2
143.08571	46.2
145.10126	58.9
146.07320	12.9
147.08035	7.3
149.05989	11.6
149.09657	7.3
151.07539	16.0
157.10190	12.9
159.11661	11.6
161.09612	11.9
165.05577	5.9
169.10152	8.6
171.11725	13.6
173.13400	4.8
177.05522	10.1
177.09123	18.1
181.10185	5.1
195.11758	7.8
201.06761	4.4
201.09097	10.0
203.10759	4.6
203.12689	5.9
213.12776	4.3
227.17888	7.9
237.16473	28.2
238.50545	4.3
245.09642	5.2
254.09409	5.4
255.17439	21.5
263.10681	5.6
263.20114	7.3
273.09073	5.1
273.18509	81.3
274.10107	7.3
277.12396	5.3
284.10361	11.1
285.11096	7.6
291.19556	100.0
295.09921	6.4
295.13123	6.1
305.11725	25.5
310.11896	6.3
318.24243	8.8
321.16904	4.8
323.12756	9.6
325.14346	4.9
326.14780	18.8
337.14328	17.2
355.15366	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	355.1025
Annotation	Scopolin
Peak:m/z	Relative Intensity
50.89985	0.4
52.42870	0.4
59.05008	0.4
61.36050	0.3
70.06575	0.5
70.64363	0.6
70.64721	0.7
71.76745	0.4
72.08155	0.5
75.24495	0.3
76.65128	0.3
84.08152	2.8
86.09696	0.6
89.03915	0.5
91.05446	1.6
94.04185	0.5
98.67841	0.3
103.05450	0.4
107.05056	0.4
115.05444	0.8
117.03375	0.8
117.06993	0.7
117.09111	0.5
119.04905	0.6
121.06503	3.2
122.03648	1.7
133.02856	16.1
135.04393	0.5
136.05211	0.5
136.06148	0.5
137.05975	12.0
145.06496	1.3
146.07268	3.5
147.04451	0.6
147.08057	0.6
149.05977	4.9
150.03128	0.8
151.07547	5.5
158.07269	0.5
158.95280	0.3
161.02365	0.5
161.05940	0.6
162.06764	0.8
163.03876	2.5
163.07513	0.6
165.05489	2.8
169.40067	0.3
174.06754	0.4
175.07513	0.9
176.77751	0.3
177.05505	2.4
177.09105	5.6
178.02618	9.5
179.07071	0.9
187.07523	0.9
188.08350	0.8
189.09106	0.8
193.04971	100.0
194.05322	0.6
197.16528	0.5
201.05473	0.7
201.09062	2.5
203.03409	0.4
203.10646	0.9
211.07536	0.4
219.07870	0.6
226.06248	0.4
227.07007	0.6
231.07961	0.9
231.10149	1.0
233.09605	0.8
235.11122	0.7
239.07031	0.4
241.08669	1.8
245.09679	0.8
247.07556	0.5
248.08228	0.4
249.09273	0.5
253.08644	0.6
254.09361	1.8
255.06544	0.7
259.07593	0.4
261.09076	1.1
262.09885	1.4
263.07208	0.4
263.10641	1.2
269.08133	2.0
270.08914	0.8
270.21628	0.4
273.09064	0.4
274.09967	1.2
275.06934	0.5
277.12277	1.2
279.10214	0.7
282.08658	0.4
284.10486	4.1
285.11227	2.7
290.09302	1.3
291.10101	1.9
293.11462	0.7
295.10019	0.3
295.13309	1.3
297.11169	1.4
303.53006	0.5
305.11703	9.0
305.15082	0.6
306.12445	1.9
307.09625	0.4
310.11938	1.0
322.12100	1.0
323.12894	2.3
323.16208	0.4
325.14188	1.1
337.14352	5.2
355.15387	7.4
355.27161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01870	3.5
55.05497	3.1
56.05045	1.7
56.16949	1.5
56.54597	1.7
56.65560	1.6
57.03427	7.3
61.01160	2.6
61.02919	3.1
64.12171	1.5
67.05504	2.1
69.03433	46.2
69.07072	3.3
70.06597	9.1
70.72734	1.5
71.01334	2.0
71.05003	10.0
71.52186	2.3
72.08165	2.6
79.05515	3.1
81.02990	2.6
81.03420	30.2
81.07044	3.1
82.17125	1.6
83.01321	3.6
84.08144	7.6
85.02911	58.4
86.09709	7.4
87.00839	36.0
87.04471	3.8
90.50020	1.6
91.05486	5.8
93.07047	4.3
95.04951	3.3
95.08596	2.3
96.04507	1.8
97.02896	78.1
97.06529	1.9
99.04469	28.0
101.02356	3.2
105.01876	29.3
105.07037	3.3
107.08572	3.8
109.02889	13.3
109.13474	1.5
110.07238	2.1
112.67274	1.6
114.54855	1.6
117.07046	1.6
119.08585	3.6
120.08090	5.1
121.06522	3.0
121.10087	1.6
127.03925	100.0
129.10194	4.2
130.04924	2.1
131.04918	4.1
131.08537	2.0
133.10112	1.8
135.04454	1.8
136.07588	3.7
137.05945	6.4
145.04965	70.2
145.10158	1.9
147.04375	2.9
148.69511	1.8
149.06041	3.7
149.09509	1.9
151.07523	5.5
157.12303	2.2
159.02890	1.9
161.06012	2.1
163.03952	2.2
173.09740	2.1
177.09038	3.2
201.05431	4.6
201.09137	3.4
213.03949	5.2
231.05011	60.0
238.08664	1.7
249.06100	27.1
269.27698	1.8
305.11685	6.4
306.12451	2.4
354.19281	3.1
355.15796	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01874	7.8
55.05505	1.8
57.03440	5.7
59.58986	0.7
61.02935	5.3
67.05499	0.9
68.05020	0.8
68.99790	2.7
69.03431	35.4
69.07069	0.8
70.03454	1.1
70.03837	1.6
70.06606	1.0
71.01366	0.9
71.05000	3.4
71.08634	0.9
73.02911	6.2
75.43960	0.6
79.05501	1.1
81.03419	21.4
81.07047	1.6
85.02906	100.0
86.09688	1.0
87.00829	49.4
91.03938	1.4
91.05477	1.8
93.07029	1.0
97.02892	31.5
99.04462	14.7
104.07108	3.3
105.01867	81.2
108.04481	1.5
109.02882	23.5
109.03606	1.4
115.03963	1.4
117.01882	2.2
119.08572	0.9
126.06663	1.4
127.03922	72.0
129.01857	2.0
129.10178	0.8
131.05017	0.7
131.08575	0.7
135.08131	0.7
136.06180	1.2
137.05978	0.9
139.11148	0.8
145.04959	33.0
147.02914	1.5
147.04448	2.7
150.12834	0.8
157.12328	1.4
159.02875	13.9
168.07452	0.7
171.02933	1.2
177.03996	1.3
189.03975	2.7
213.03954	1.8
231.05003	25.9
248.07762	1.0
249.06076	9.5
291.55136	0.7
305.11798	1.4
322.11557	1.3
326.24274	0.7
337.14459	1.5
354.14316	2.2
354.20825	1.0
354.26541	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03428	2.2
57.29159	0.5
58.88762	0.6
60.04505	0.7
67.05501	1.9
69.03422	0.9
70.06577	1.8
70.28390	1.3
70.28706	0.5
71.04996	6.6
72.08150	1.1
73.02921	4.5
74.06062	1.0
81.03437	0.5
83.04990	0.9
84.04496	0.7
84.08147	1.5
85.02920	3.2
85.06548	5.1
86.09705	0.6
93.07058	0.5
95.04962	5.7
97.02902	0.9
97.06532	0.8
101.02380	16.3
110.07178	0.8
111.08094	2.1
113.06005	100.0
114.06338	0.6
116.07092	1.2
120.08097	1.5
121.06488	1.9
131.07043	37.6
135.04424	1.0
136.07605	1.0
137.05986	2.1
139.07590	4.0
145.02863	1.0
145.04939	0.6
146.06062	0.7
149.05983	1.4
151.07545	1.7
157.08609	7.6
161.09283	0.9
163.03914	6.0
165.05417	0.6
166.08664	0.7
175.07497	0.7
175.08147	0.6
175.09674	7.8
177.05429	0.7
177.09155	1.8
178.08612	0.5
186.10048	0.9
189.08821	1.5
201.09114	0.7
203.12683	1.6
245.09480	0.6
251.97472	0.6
254.09363	0.8
284.10556	1.2
285.11346	0.9
291.10165	0.9
295.13303	0.7
299.22046	0.5
305.11746	2.2
306.12521	0.9
308.16885	1.2
323.12573	0.5
337.14444	1.5
354.00464	1.1
354.17142	1.0
355.15479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.23280	0.4
55.93520	0.8
57.03432	3.0
61.02941	0.6
67.05496	2.4
69.03420	0.9
70.06582	2.3
70.75726	1.1
71.04989	6.6
72.08163	0.5
73.02916	4.2
81.03426	0.6
83.04996	0.7
84.04523	0.5
84.08142	1.0
85.02908	3.3
85.06544	4.5
86.09707	0.9
89.03924	0.9
91.05466	0.5
93.07056	0.6
94.96120	0.4
95.04966	5.6
97.02913	1.1
97.06550	0.6
98.41226	0.4
100.67545	0.4
101.02377	17.1
109.02891	0.5
110.07173	1.0
111.08079	1.5
113.06007	100.0
114.06319	0.4
115.07571	0.7
117.03398	1.1
120.08108	1.5
121.06479	0.7
126.89707	0.5
127.03867	0.5
131.07048	36.3
134.03636	0.4
135.04433	1.5
137.05978	1.7
139.07541	4.4
143.46033	0.4
145.02846	1.3
145.04910	0.4
146.07266	0.9
149.06026	0.9
151.07574	1.3
157.08606	8.5
163.03912	10.0
165.05447	0.6
165.97163	0.6
175.09660	7.5
175.11118	0.3
177.09134	1.7
186.10013	0.9
192.06473	0.5
203.12695	2.1
210.96884	0.8
233.96227	0.6
241.08621	0.6
251.97131	0.7
254.09288	0.6
269.08243	0.6
274.09879	0.6
284.10220	1.2
285.11298	0.5
305.11734	1.9
306.12436	0.5
308.16867	2.8
336.12817	0.6
337.14236	1.1
346.46774	0.5
354.00333	1.6
354.17148	2.0
355.15356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03440	2.9
58.73675	0.5
60.04519	1.2
61.02937	0.6
67.05505	1.5
67.32649	0.5
69.03421	1.4
69.98257	2.0
70.06586	1.4
71.04993	3.9
71.45943	0.4
73.02909	1.6
74.06078	1.4
74.61288	0.5
81.03444	0.6
83.04985	1.1
84.04506	0.5
84.08147	0.7
85.02913	2.7
85.06554	6.2
86.09695	0.6
91.05460	0.6
95.04965	4.4
95.06052	0.5
97.02895	1.2
97.06558	0.6
98.06064	0.8
101.02386	13.5
104.84439	0.5
111.04485	0.5
111.08081	2.4
113.06013	100.0
116.07114	2.2
120.08134	3.4
121.06529	0.7
127.03913	0.8
131.07056	44.7
135.04492	0.9
136.19922	0.5
137.05981	2.6
139.07553	5.7
145.06432	0.5
146.07307	0.9
149.05986	0.7
151.07567	2.1
157.06610	0.7
157.08647	6.0
161.09245	1.6
163.03928	2.3
164.07062	0.5
166.08646	0.7
175.09674	7.2
177.05542	1.2
177.09138	1.5
179.06979	0.9
189.08774	1.8
201.09084	0.9
207.11209	0.6
221.28314	0.5
231.08078	0.7
241.08626	0.6
254.09303	0.6
277.12186	0.6
284.10513	1.6
285.11514	0.8
291.10193	0.8
295.13306	0.8
298.05011	0.5
305.11804	4.4
323.12805	0.7
336.15845	0.6
337.14383	1.6
354.17236	1.2
355.15421	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.05516	13.7
57.03423	3.2
57.07060	4.0
60.92537	1.1
65.03929	2.0
65.32943	1.1
67.05507	84.5
68.02473	1.2
68.91990	1.1
69.07070	13.0
69.61123	6.3
69.61533	1.9
71.04973	4.4
74.91296	1.2
75.04475	1.2
79.05019	1.3
79.05495	43.8
81.07057	100.0
81.27510	1.1
83.08617	8.3
85.06544	2.1
91.05483	21.5
93.07046	59.5
95.04984	2.2
95.08610	63.2
97.06523	3.6
97.10149	4.0
98.20802	2.3
99.08088	4.0
105.04514	1.8
105.07030	17.6
107.08597	41.7
109.06518	2.1
109.10160	38.6
111.08061	2.4
113.09655	1.1
117.07012	8.8
119.08579	14.5
121.10146	35.4
123.08080	1.7
123.11698	18.7
125.09612	2.2
131.08565	19.3
133.10138	12.0
135.11697	28.9
137.13252	6.5
145.10146	16.5
147.11670	9.9
149.09584	1.5
149.13246	19.5
151.11258	1.6
151.14780	2.8
159.11696	15.7
161.13229	9.7
163.14819	11.7
165.12766	1.8
173.13263	15.4
175.14812	2.7
177.16321	6.9
179.14282	2.7
187.14810	10.6
188.19405	1.2
191.14355	1.3
201.16304	2.3
205.15871	1.6
219.17477	1.7
233.22659	3.5
243.18582	1.2
243.21068	27.0
261.22134	85.1
262.22635	1.5
263.23630	1.5
279.23184	3.8
335.25870	8.2
353.26877	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.60216	2.6
55.05505	12.6
57.03428	6.2
57.07059	9.0
65.03934	4.7
67.05507	89.0
69.03454	3.2
69.07071	16.9
70.64780	8.8
71.05002	4.9
71.08636	4.2
77.83639	3.1
79.05074	4.6
79.05499	59.6
81.07058	86.4
83.08617	10.8
85.06548	5.9
91.05495	29.2
93.06493	4.5
93.07048	74.4
95.04978	5.4
95.08613	79.0
97.06528	13.2
99.08103	7.0
105.07042	24.8
107.08601	48.5
109.06458	3.4
109.10165	32.1
113.09602	4.9
117.07023	13.1
119.08608	18.7
121.10156	33.9
123.11703	21.1
125.09599	4.1
131.08582	22.6
133.10138	16.3
135.04454	4.3
135.07976	3.2
135.11682	26.7
137.09595	3.2
137.13252	9.8
139.11124	3.2
140.53105	3.2
143.08606	3.5
145.10138	18.7
147.11668	13.4
149.13271	26.2
151.07520	3.4
151.14699	4.0
155.08551	6.1
157.10168	4.3
159.11702	15.3
161.13269	9.4
163.11160	4.1
163.14841	21.0
173.09564	3.2
173.13275	16.6
175.14861	4.1
177.16405	9.8
179.14417	3.5
187.14825	8.3
191.14273	3.8
201.16379	4.7
211.63425	3.0
229.08569	5.2
233.22682	11.2
243.21097	45.4
261.22147	100.0
279.23068	4.8
283.09521	3.5
325.14301	31.8
335.13010	4.4
335.25851	18.9
353.13654	3.6
353.26328	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	354.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01845	0.6
55.05490	1.9
58.06584	1.3
58.99575	1.9
67.05492	1.5
68.04993	0.5
69.03397	0.9
69.07070	1.2
69.84875	2.4
70.06586	1.3
70.84290	0.5
71.04961	1.2
72.08159	1.0
73.01147	19.1
76.66262	0.6
79.05486	2.8
81.03415	0.9
81.07076	4.1
82.06554	1.6
83.04964	0.9
83.08598	0.7
84.04481	1.3
84.08144	0.6
86.00606	0.7
86.99072	1.4
91.05471	2.1
93.07024	2.1
94.06552	1.3
95.08585	2.0
96.04482	0.8
96.08096	0.6
97.02883	1.6
97.06530	1.0
98.21426	0.8
99.02660	1.5
104.07093	1.2
105.00092	1.3
105.07015	2.5
107.04951	0.9
107.08607	3.2
108.04484	1.0
108.08114	1.3
109.06506	1.3
109.10162	1.4
113.04250	0.6
119.08544	1.7
121.06467	1.6
121.10134	1.6
122.06005	0.9
123.08032	1.5
124.07604	27.6
125.09655	0.5
129.07001	0.7
131.08531	1.5
132.01114	1.1
133.10152	0.9
134.05974	0.6
135.08061	2.8
136.07558	2.1
137.05949	3.2
137.09520	0.8
138.05505	1.4
138.09113	2.2
140.01657	0.7
141.03629	0.6
145.02110	1.1
145.03192	17.3
145.06419	0.7
145.10126	1.8
146.07285	1.1
148.07599	1.1
149.05975	1.3
149.08438	1.0
149.09616	1.8
150.09131	2.7
151.07536	2.2
154.03195	2.2
159.08121	0.5
161.09595	0.6
162.09145	1.1
163.07541	0.9
163.09961	0.9
163.11180	4.5
164.07069	0.8
164.10789	2.6
166.03253	3.4
168.04788	1.1
175.11194	1.1
176.10782	1.4
177.05484	0.9
177.09064	2.7
179.06987	0.6
180.04852	1.1
182.06337	3.1
182.07880	1.3
184.04262	4.0
186.05899	0.8
190.12277	0.6
194.08104	4.5
195.14935	3.0
196.07953	0.7
201.09282	0.7
210.14783	0.6
212.03775	56.7
213.04405	0.8
215.14374	1.8
222.09509	2.6
223.14360	0.6
225.04500	2.7
226.05316	5.0
233.09454	0.8
233.15355	2.5
234.09633	0.7
240.10553	0.8
250.09053	1.8
261.09201	0.8
262.09695	0.9
268.10037	100.0
269.10486	1.2
279.10052	0.6
280.10132	1.5
284.10397	2.5
305.11591	3.0
308.18591	4.3
318.24756	0.6
322.11777	1.0
323.12863	1.1
336.16147	6.9
337.14368	1.8
337.21420	0.7
354.17374	78.1
354.26627	1.6
355.14868	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.05512	10.8
57.03427	3.6
57.07066	3.5
65.03928	1.8
67.05508	80.6
69.07079	11.0
69.29990	7.5
69.30395	4.1
71.04969	1.9
71.08611	2.1
74.54761	1.6
79.05498	40.5
79.93521	1.2
81.07062	73.2
83.04977	1.5
83.08624	7.7
85.06545	3.8
91.05489	20.3
93.07050	52.6
95.08614	57.2
97.06525	3.6
97.10146	3.2
99.08080	2.4
105.07040	18.2
107.07882	2.5
107.08599	38.6
109.06519	1.7
109.10167	34.1
111.08129	1.9
117.07019	7.8
119.08607	11.1
121.10155	34.0
123.11703	20.1
131.08565	20.4
133.10138	15.0
135.11697	25.6
137.13228	8.3
139.11247	2.2
143.70103	1.7
145.10138	13.0
147.11705	11.6
149.13268	23.8
151.14847	2.9
159.11691	12.8
161.13292	8.8
163.14809	9.7
165.12772	1.6
173.13280	16.5
175.14828	2.4
177.16426	5.9
179.14459	1.5
186.26062	1.3
187.14810	9.9
191.14342	2.7
201.16498	1.9
205.15959	2.5
233.22626	3.9
243.21098	30.5
261.22156	100.0
262.22473	2.0
279.23206	2.9
294.18530	1.5
307.00256	1.7
315.99747	1.4
335.25906	10.6
353.26895	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	3.1
55.01870	5.3
55.05513	48.3
57.03439	17.8
57.07069	7.3
65.02747	1.7
65.03950	2.7
67.05507	76.2
69.03425	2.0
69.07069	47.6
69.20454	3.9
69.20845	15.9
71.04990	6.7
71.08239	3.1
71.08631	55.2
79.05022	2.0
79.05492	44.7
81.07058	96.8
83.04985	7.3
83.08627	24.2
85.06545	6.9
85.10234	1.8
91.05479	22.4
93.06484	3.1
93.07046	47.2
95.04971	4.0
95.08610	67.3
97.06538	13.3
97.10168	21.6
99.08096	50.3
99.08757	2.1
105.07023	19.6
107.08590	40.9
109.06497	2.5
109.10159	38.1
111.08092	6.8
111.11720	3.5
117.06982	5.9
119.08595	12.4
121.10151	23.9
123.08101	2.0
123.11720	14.3
125.09647	16.8
131.08565	14.1
132.83318	1.7
133.10153	9.2
135.08035	5.3
135.11693	30.6
137.09586	1.8
137.13225	10.5
139.11142	2.6
145.10120	10.4
147.11703	21.1
149.09653	2.4
149.13292	13.6
151.11147	2.3
151.14804	4.7
153.12706	8.1
155.10721	1.9
159.11693	6.8
161.13341	7.9
163.11266	2.2
163.14822	13.7
165.12714	10.1
171.10086	1.7
173.11746	5.4
173.13286	9.3
175.14827	5.3
177.16405	5.1
179.14372	2.3
181.15898	4.6
187.14848	7.2
189.11221	10.4
191.14362	2.8
195.13777	2.4
201.16350	2.3
227.82028	1.7
233.22667	3.8
243.21129	19.4
261.22150	39.0
279.23196	32.5
300.13638	2.2
335.12582	2.1
335.25751	3.1
353.13947	2.0
353.26865	100.0
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	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	2.4
55.05275	1.4
55.05514	12.8
57.03436	5.7
57.07063	4.2
65.03934	2.7
67.05508	97.3
69.07072	12.9
71.04995	2.5
71.08608	1.4
71.38010	2.1
75.04469	1.7
77.03912	1.0
79.05495	40.9
81.03410	1.1
81.07060	100.0
83.04978	1.3
83.08613	8.4
85.06547	3.1
91.05486	20.0
93.07046	54.8
95.04971	2.2
95.08611	82.5
97.06520	2.4
97.10131	3.1
99.08073	2.1
105.07036	15.8
105.33411	1.0
107.07877	2.0
107.08598	34.7
109.06549	1.8
109.10161	34.2
111.08099	1.2
113.09663	1.1
116.83416	1.0
117.07024	8.3
119.08579	13.4
121.06427	1.0
121.09337	1.7
121.10149	27.5
123.08036	1.7
123.11707	20.0
131.08566	18.1
133.10133	13.1
135.11690	23.8
137.09604	2.0
137.13257	6.0
145.10124	13.5
147.11688	8.9
149.09560	1.4
149.13275	18.2
151.11195	1.4
151.14806	2.6
159.11713	11.7
161.13258	11.6
163.11121	1.5
163.14836	11.6
165.12718	1.3
165.16359	1.1
173.13272	12.8
175.14801	2.7
177.12785	1.1
177.16386	3.7
179.14278	1.4
187.14833	8.4
201.16434	2.4
205.15811	1.6
233.22655	3.6
243.21075	18.8
261.22150	70.2
262.22601	1.1
279.23074	5.4
335.25784	13.3
353.26913	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.2
57.03429	6.0
57.07058	5.7
58.64859	2.1
62.49203	2.2
65.03925	3.9
66.39488	2.0
67.05508	100.0
69.07072	12.3
69.66927	9.7
69.67336	3.2
71.08640	4.0
75.89513	2.1
79.05497	55.3
81.07062	92.6
83.08607	8.1
85.06525	2.9
86.77572	2.1
90.91419	2.4
91.05478	25.6
93.07048	70.0
95.08613	73.8
97.06525	4.3
97.10172	2.8
97.14899	2.1
99.08104	6.3
105.07043	17.2
107.08601	38.5
109.10159	32.4
113.09655	2.6
117.07005	9.9
119.08583	13.9
121.10152	34.6
123.11719	18.7
131.08549	24.0
133.10176	12.0
135.11694	26.1
137.13258	8.3
137.82138	2.1
145.10115	17.1
147.11717	13.6
149.13255	23.6
159.11740	12.4
161.13257	8.0
163.14839	17.5
173.13281	16.8
175.14848	3.8
177.12788	2.6
177.16325	5.3
179.14333	3.0
187.14850	12.3
196.93044	2.5
201.16353	4.4
205.15865	3.1
208.28044	2.4
233.22687	8.0
243.18805	3.6
243.21117	40.0
261.22156	92.2
279.23175	3.0
329.10529	2.3
335.25742	15.7
353.26779	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.43808	0.9
53.03935	3.3
53.98501	1.0
55.05512	14.0
57.03426	3.2
57.07072	6.0
57.41893	1.0
65.03927	2.2
67.05505	80.5
69.07069	12.0
69.31817	5.2
69.32240	2.9
71.04977	1.4
71.08617	3.8
79.05019	1.4
79.05494	51.7
81.07059	83.2
83.04955	1.2
83.08624	7.3
85.06526	3.3
85.10186	1.8
91.05484	24.0
93.07046	70.2
95.04963	2.1
95.08610	70.7
97.06500	3.8
97.10149	2.8
99.08110	5.0
105.07030	20.6
106.07403	1.0
107.08595	42.5
109.06499	2.7
109.09392	1.3
109.10154	25.6
111.08076	1.6
113.09622	3.4
117.07025	10.1
119.08590	13.5
121.10146	30.2
123.08014	2.2
123.11694	14.0
125.09637	1.4
131.08568	21.2
133.10149	12.5
135.10709	1.6
135.11697	24.3
137.09619	1.7
137.13257	7.6
139.11188	1.7
145.10132	16.9
147.11687	11.1
149.09602	1.9
149.13266	24.7
151.11215	2.0
151.14796	4.6
153.12698	2.5
159.11687	13.3
161.13249	11.4
163.14839	17.4
165.12779	1.1
167.14371	1.3
173.13252	15.7
174.91075	1.0
175.14774	4.8
177.12843	1.6
177.16385	6.0
179.14430	2.0
179.16444	1.0
187.14876	10.4
191.14220	2.2
201.16420	2.9
205.15915	1.3
215.17789	1.7
219.17473	1.9
233.22685	6.1
243.21101	37.6
261.22147	100.0
262.22504	1.6
279.23141	2.7
335.25781	11.2
353.26813	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.58429	1.4
55.05320	1.3
55.05518	13.9
56.17114	1.8
57.03425	5.0
57.07062	4.9
63.45218	1.6
65.03941	2.1
66.57352	1.7
67.05508	83.7
69.07072	12.0
69.82928	4.8
69.83334	3.9
71.05025	2.6
71.08611	1.9
79.05501	34.1
81.07061	94.7
83.08612	6.6
84.74022	1.5
85.06552	2.2
91.05470	16.0
93.06485	3.2
93.07047	48.2
95.04945	2.0
95.08612	68.4
97.06512	1.7
97.10150	2.4
105.07040	16.1
107.08600	31.9
109.10157	34.1
111.08124	3.6
117.07005	7.8
119.08577	10.3
121.10143	29.0
123.11717	19.4
126.37744	1.6
131.08588	19.5
133.10158	12.3
135.11700	26.8
137.09586	2.0
137.13266	7.1
145.10135	13.0
147.11682	11.7
149.13258	19.1
151.14850	2.3
159.11693	12.9
161.13290	8.7
163.14856	10.8
165.16370	1.7
173.13283	14.6
175.14890	3.0
177.16399	4.3
187.14832	6.9
201.16364	3.7
233.22603	5.1
243.21088	24.6
261.22156	100.0
279.23181	7.8
317.24567	1.9
335.25845	16.3
353.26834	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03954	2.2
53.57441	0.8
55.01906	1.2
55.05513	12.1
57.03442	7.3
57.07086	4.1
58.91557	0.7
61.95953	0.9
65.03944	3.0
67.05510	93.9
69.07073	14.0
70.91010	0.9
70.91315	1.1
71.04991	2.7
71.08646	2.3
72.05084	0.7
75.04483	2.3
77.03942	0.8
79.05497	39.5
80.63610	0.7
81.03430	1.0
81.07061	100.0
83.04990	1.4
83.08621	8.0
85.06559	1.5
91.05485	20.0
91.06029	1.4
93.07049	51.3
95.04997	1.8
95.08613	75.1
97.06528	3.1
97.10162	3.5
99.08115	3.0
105.07035	16.4
107.08600	37.2
109.06540	1.2
109.10163	37.6
111.08093	1.8
113.09648	1.2
117.07024	8.7
119.08589	14.0
121.10150	32.9
123.08095	1.5
123.11717	23.8
125.09661	2.1
126.03452	0.9
127.11211	1.0
131.08583	18.1
131.09540	1.2
133.10136	12.9
135.11700	25.3
137.09673	1.9
137.13254	8.2
139.11214	1.4
145.10141	16.0
147.11690	8.9
149.09682	1.5
149.13271	18.7
151.11273	1.0
151.14865	2.2
153.12738	0.7
159.11722	13.2
161.13257	9.1
163.11272	1.2
163.14833	12.5
165.12761	1.6
173.13264	15.4
175.14870	3.4
177.12706	0.9
177.16360	4.1
179.14394	1.7
180.27602	0.8
187.14825	8.2
191.14391	2.2
201.16438	1.8
205.15900	2.2
215.18138	1.3
219.17453	1.1
231.30305	0.8
233.22716	4.7
243.21126	28.3
245.22868	0.7
261.22162	93.9
262.22595	1.2
263.23785	1.3
279.23203	5.8
317.24817	1.6
335.25809	16.1
353.26883	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01855	0.8
55.05275	0.9
55.05516	12.6
57.03438	4.1
57.07084	4.4
58.85225	0.8
65.03941	3.1
67.05508	88.3
69.06732	1.1
69.07073	12.5
71.04990	2.8
71.08636	1.5
75.04479	1.1
77.03938	1.2
79.05498	43.5
81.07063	96.1
83.04955	1.7
83.08623	8.3
85.06547	2.6
91.04921	0.8
91.05485	23.4
93.07050	62.0
95.04994	2.0
95.08614	68.7
97.06514	5.1
97.10178	4.0
98.21551	1.3
99.08082	3.5
105.04501	1.3
105.07044	18.0
105.53501	0.9
107.08602	41.3
109.06514	1.4
109.10165	36.8
111.08089	1.4
113.09666	1.4
117.07019	10.2
119.08589	17.8
121.10154	35.2
123.08051	1.8
123.11716	21.5
125.09646	1.4
131.08575	22.1
133.10136	15.1
135.10706	1.9
135.11699	31.0
135.12729	1.7
137.09662	1.6
137.13249	6.7
139.11176	1.6
145.10143	16.3
147.11693	11.7
149.13268	21.6
151.11079	1.2
151.14833	3.0
152.00693	0.9
153.12714	2.0
159.11703	15.8
161.13281	10.3
163.14833	14.7
165.12770	1.9
173.13260	16.4
175.14871	4.4
177.12894	0.9
177.16394	5.6
179.14311	1.2
187.14830	10.3
201.16425	3.2
205.15913	1.8
215.17993	1.2
219.17604	1.3
223.16801	0.9
233.22664	2.8
243.21106	29.4
261.22150	100.0
263.23639	1.5
279.23135	3.7
317.24673	1.2
335.25760	9.7
353.26886	33.0
356.82587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01880	4.9
55.05512	14.9
55.51191	2.8
55.86361	3.0
56.96574	6.9
67.05518	23.5
69.03409	9.1
69.07059	12.3
69.64774	19.0
71.05007	23.2
79.05504	22.7
80.05051	3.1
80.05828	4.0
81.03409	3.1
81.07063	37.1
83.04972	4.8
83.08599	7.2
85.06535	9.8
91.05497	34.6
93.07048	38.4
95.04976	55.9
95.08619	32.8
97.06505	7.9
97.10120	4.0
98.21512	6.4
105.07034	43.6
107.08595	39.0
109.06522	12.3
109.10175	20.0
112.35431	2.8
113.09601	3.2
117.07044	17.8
119.08598	51.3
119.78574	3.0
121.06501	8.4
121.10159	27.0
123.08079	13.9
123.11744	14.5
128.06274	15.8
129.06953	9.5
131.08589	31.5
133.10136	38.3
135.04442	5.1
135.08052	39.9
135.11696	39.4
137.09633	6.4
142.07755	11.2
143.08580	30.2
145.10130	37.6
147.08041	13.2
147.11688	12.2
149.09612	16.5
151.07643	4.5
155.08554	13.3
156.09380	7.9
157.10158	40.9
158.10956	3.3
159.08040	11.0
159.11697	25.7
161.09634	71.9
161.13248	12.2
163.11154	8.3
167.08533	5.2
169.10126	14.1
170.10945	4.4
171.07899	3.1
171.11681	21.5
172.12398	3.4
173.09639	11.3
173.13307	25.1
175.11142	10.4
175.14771	4.4
179.08611	3.5
181.10095	6.2
181.45308	3.1
182.10898	6.3
183.11702	9.6
184.12486	4.7
185.09668	3.9
185.13229	12.8
187.11246	7.8
187.14864	9.6
189.12689	4.9
191.14442	3.3
193.12091	3.8
195.11633	11.8
197.13213	21.0
199.11168	4.7
199.14815	7.5
201.12677	3.7
203.14366	5.4
205.15947	4.6
207.11697	6.8
209.13293	6.6
211.14743	7.8
213.12741	18.4
213.16290	3.9
213.94522	2.8
215.14389	17.7
215.57799	3.2
217.15825	5.5
221.13266	7.6
223.14845	5.2
225.12749	3.6
225.16420	6.2
227.14302	3.4
228.07899	6.9
229.08643	6.5
231.13957	3.4
231.17696	3.7
235.14879	3.6
237.16432	6.6
247.14722	4.4
251.18066	6.0
253.19597	4.7
257.19043	4.3
261.22260	4.8
265.19479	8.1
268.07291	3.9
275.20102	3.6
276.20230	3.1
277.19592	9.7
283.20605	5.2
293.22946	17.9
295.20596	16.8
305.11722	3.1
311.23694	6.2
325.14456	18.9
335.23688	27.9
353.13712	5.1
353.24820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.3
55.05514	21.8
67.05504	25.7
69.07075	53.6
79.05495	15.0
79.63889	4.2
81.07057	39.4
83.08615	14.3
83.31390	4.3
87.04463	6.1
91.05474	36.7
93.07047	38.7
94.43417	3.8
95.04974	21.7
95.08611	89.4
97.06525	20.1
98.21375	19.4
105.07037	54.9
107.04999	5.2
107.08595	50.2
109.06526	6.9
109.10168	38.6
111.08079	38.7
117.07013	15.4
119.08585	100.0
121.06487	5.5
121.10159	70.6
123.11689	12.3
128.06075	3.8
129.07010	7.1
130.07806	4.4
131.08562	26.9
133.10146	52.0
135.08083	20.4
135.11702	22.1
137.05026	7.5
137.05986	93.0
137.09598	5.5
139.07500	7.3
142.07793	7.0
143.08583	14.9
144.09389	5.2
145.10127	31.5
147.08076	27.0
147.11684	18.8
149.09630	19.6
149.13263	10.5
151.07491	4.7
155.08522	7.2
156.09381	5.3
157.10129	31.6
159.08107	13.8
159.11726	20.8
161.09602	7.9
161.13257	9.4
163.11186	5.3
163.14845	4.6
165.09178	4.9
168.09370	6.8
169.10138	16.1
171.11700	26.1
173.13205	12.7
175.14864	20.4
177.09131	22.0
177.16393	52.3
181.40916	4.5
183.11702	18.3
185.13214	13.8
187.14812	8.8
189.08972	5.0
189.16417	46.0
197.13283	18.6
198.13966	7.4
199.14839	8.6
201.09082	5.1
201.16385	9.6
209.13304	6.0
211.11198	8.3
211.14799	12.1
213.16425	6.7
215.17958	13.0
223.14778	5.9
225.16405	6.8
227.17928	5.0
239.14372	5.2
239.17842	7.2
253.19489	6.4
254.20351	12.2
255.20992	4.4
267.21112	9.2
297.18387	5.3
335.23657	10.4
353.24759	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01872	1.7
55.05519	1.4
56.57234	0.7
57.03431	1.6
67.05508	2.2
69.03425	17.2
69.07072	14.6
70.03196	1.9
71.04992	1.1
73.02886	1.0
79.05483	2.4
81.03426	2.0
81.07053	5.2
82.16267	0.8
83.04980	3.4
83.08604	1.0
85.02905	8.3
85.06530	1.7
91.05478	2.6
93.07055	3.9
95.08621	6.7
97.02893	3.3
97.06522	1.5
97.79963	0.9
99.04462	1.5
101.02330	1.0
105.07024	4.0
107.08595	9.1
109.02858	1.1
109.06523	3.0
109.10136	1.0
111.08066	5.1
117.07014	1.0
119.08585	6.4
121.06512	1.3
121.10143	6.1
123.08076	3.7
127.03920	2.7
129.06993	1.3
131.08571	5.8
133.06502	0.8
133.10138	6.1
135.08047	15.5
135.11707	2.0
135.71466	0.8
143.08542	1.3
145.10112	3.5
147.11644	5.4
149.09627	12.5
149.13228	3.2
158.10915	2.9
163.14819	3.5
173.13261	15.7
175.14781	1.1
191.14307	100.0
230.13838	1.3
245.63327	0.8
268.71469	1.0
318.36417	0.8
353.19647	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	353.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
53.48497	0.7
55.01868	0.9
55.05503	2.8
56.05040	0.8
57.03424	2.1
57.07058	1.3
67.05493	2.7
69.03097	1.2
69.03440	17.5
69.03813	1.1
69.07075	16.7
69.66870	4.5
70.06583	3.2
71.05006	3.5
72.08156	2.8
73.08472	0.9
79.05479	2.8
79.10858	0.7
81.03400	2.8
81.07065	7.9
83.04986	4.1
83.08610	2.3
84.04498	1.2
84.08141	2.2
85.02913	8.5
85.06561	4.6
86.09696	1.9
87.04490	1.0
91.05475	4.9
93.07053	3.7
95.04957	0.9
95.08620	8.8
97.02899	2.7
97.06525	1.1
98.21489	1.6
99.08124	1.7
105.07030	4.3
107.04929	0.8
107.08605	9.0
108.89507	0.7
109.02835	1.1
109.06518	2.7
109.10150	2.2
111.08078	5.2
119.08591	3.7
120.08101	3.0
121.06457	1.8
121.10160	7.0
123.08088	5.0
124.03986	0.9
125.09635	1.6
127.03895	3.3
129.07048	1.1
129.10295	0.7
131.08589	8.6
133.10147	7.7
135.04436	0.8
135.08064	14.3
135.11702	3.4
136.07587	1.7
137.13322	1.4
142.08687	0.7
143.08582	2.3
145.04936	0.9
145.10124	3.5
147.04524	1.6
147.11699	3.0
149.09644	7.9
149.13248	2.5
152.07066	2.5
155.14297	2.4
158.10880	2.6
159.11348	3.1
160.11681	1.7
163.11211	0.9
163.14842	2.8
163.86964	0.7
164.07092	3.1
173.13272	19.0
173.15405	1.8
175.14903	1.8
187.10864	1.0
191.14322	100.0
192.14632	1.2
196.09581	1.1
209.15399	3.9
231.09920	0.8
256.18723	0.8
283.42252	0.7
335.12628	0.9
353.13480	1.1
353.15070	0.9
353.19672	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.41292	0.9
55.05507	4.8
57.03457	1.0
57.07076	2.4
61.02947	0.9
65.03919	1.3
67.05508	23.6
69.03421	3.6
69.07076	9.7
70.06596	3.6
71.04998	68.9
71.08630	1.9
71.52242	1.4
72.08165	2.4
76.39848	1.0
79.05493	4.9
81.03419	1.1
81.07059	81.8
81.31085	0.9
83.08604	1.3
84.04509	1.7
84.08157	4.3
85.02908	6.5
85.06545	14.7
86.09715	4.0
91.05488	2.2
93.07040	3.2
95.04984	1.3
95.08611	63.9
97.02896	3.8
97.10152	1.0
99.08101	3.3
105.07047	1.8
107.08551	1.7
109.10155	11.1
110.07195	1.4
111.11711	2.5
119.08578	2.1
120.08120	6.7
121.10195	1.3
122.06029	1.2
124.07616	1.2
127.03867	1.1
130.06583	1.1
131.08562	0.9
133.10185	1.5
135.04434	1.3
136.07567	7.8
137.07939	3.0
137.13260	19.9
146.06009	1.5
148.07587	1.0
150.05557	1.9
151.07581	1.2
152.05849	0.9
152.07071	5.4
155.14311	100.0
160.06036	1.9
164.07036	5.5
166.08719	1.7
173.13298	2.0
173.15375	28.3
191.14583	1.8
191.16418	30.2
193.09735	1.6
194.10022	2.6
196.09706	1.8
199.07538	1.1
208.11784	1.3
289.12006	1.7
305.11755	1.3
309.86609	1.0
331.85742	1.0
335.12363	3.5
353.13376	2.4
353.17114	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
54.38783	1.4
55.01879	2.6
55.05513	11.3
56.05023	2.0
56.82502	1.3
57.07063	4.2
58.06591	2.1
59.81117	1.5
60.04528	11.5
65.03934	2.0
67.05509	23.8
68.05832	2.8
69.06726	2.0
69.07071	21.3
70.06582	4.3
71.04986	1.6
71.52219	1.6
73.61215	1.8
78.13299	1.3
79.05499	24.9
80.05026	18.3
81.03411	3.3
81.07069	22.8
82.06570	3.3
83.04988	3.6
83.08627	7.7
84.08128	5.1
85.10196	1.6
90.83361	1.6
91.05489	17.8
93.07059	17.5
94.06568	15.2
95.04987	8.2
95.07343	1.8
95.08607	13.9
96.08125	1.7
97.06565	2.5
97.10160	3.6
105.07020	18.8
106.06547	1.6
107.08609	19.0
108.08136	6.5
109.06514	1.5
109.10159	6.0
111.08089	2.1
117.07019	4.8
119.08597	15.3
120.08073	2.6
120.08870	1.8
121.10161	9.4
123.08041	2.4
123.11696	1.8
125.09641	4.3
128.06223	1.7
129.06999	2.0
131.08553	6.0
133.10104	12.5
134.09676	2.5
135.08035	2.0
135.11667	4.4
136.11215	1.8
137.09605	1.6
139.47530	1.7
143.08484	3.5
145.10155	7.6
147.11668	7.0
148.11147	3.7
149.09636	4.0
154.12309	2.6
155.08591	1.8
157.10132	4.1
159.11708	5.6
160.30791	1.4
161.09651	2.4
161.13283	5.8
161.24002	1.4
162.12837	2.0
163.11157	3.1
164.14423	2.5
171.11691	2.3
172.13498	1.8
173.13264	2.6
176.14374	2.3
177.12775	3.7
183.11732	2.4
184.06375	3.9
189.11258	1.9
192.13805	1.5
203.32224	1.6
204.13840	14.8
206.15468	3.0
210.14885	3.6
222.14902	22.7
223.15688	3.2
224.16431	3.1
236.16437	1.9
239.18155	1.5
257.19070	8.5
272.20166	2.2
274.21671	16.4
275.20056	33.5
278.21844	3.4
290.21484	3.8
292.22711	71.2
293.21130	4.4
308.23688	1.7
310.23801	2.4
316.22687	3.7
325.14450	2.9
331.97253	1.5
334.23770	12.9
335.23660	2.0
352.24957	100.0
353.24860	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	353.0847
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96570	8.8
66.05277	2.2
69.03423	2.1
70.17141	3.5
70.17529	5.7
85.02905	4.5
87.47131	1.8
90.60893	1.7
98.20822	2.5
98.97617	3.5
100.99152	6.4
104.10699	2.8
110.97593	5.8
117.53438	1.7
126.97085	3.1
128.98636	6.0
144.98059	2.9
145.34863	2.0
146.99731	2.7
172.97629	6.4
173.94580	1.7
183.04926	2.3
185.03046	2.1
190.98647	11.0
208.99770	7.2
214.98643	3.6
232.99734	14.3
244.99696	2.0
245.05043	3.8
251.00760	7.3
263.00775	5.1
274.50406	2.0
312.67780	2.0
312.71335	1.9
353.08481	100.0
376.13034	1.8
378.88184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05507	1.8
56.01645	0.6
57.03416	1.5
61.02922	1.2
67.05496	1.4
69.03433	18.4
69.07068	14.1
70.67989	1.5
70.68330	0.7
71.01328	0.8
71.04974	1.5
73.02877	0.7
79.05486	2.2
81.03405	2.0
81.07037	4.3
83.04977	2.3
83.08604	1.4
85.02903	10.3
85.06520	1.6
86.09682	0.7
87.04480	0.8
89.83145	0.6
91.05492	4.4
93.07053	3.3
95.04975	0.7
95.08602	5.5
97.02863	2.3
97.06519	1.5
105.07051	4.5
107.08594	8.8
109.06544	4.3
110.35659	0.6
111.08092	5.9
111.25551	0.7
117.07007	1.5
119.08606	4.2
121.06537	1.7
121.10141	7.8
123.08068	4.2
127.03899	3.1
129.06921	0.8
131.08589	8.2
133.06566	0.9
133.10139	7.4
135.08057	14.3
135.09027	1.3
135.11665	2.0
143.08549	2.2
144.09286	1.0
145.10136	3.1
147.11707	4.2
149.09621	10.5
149.13240	2.6
150.10292	0.9
158.10953	4.1
163.14844	4.1
173.13268	17.0
175.14836	1.3
181.06651	0.7
191.14316	100.0
192.14642	0.9
209.15405	1.1
268.19543	0.7
285.39810	0.9
353.19635	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01867	8.1
55.05495	4.5
57.03442	4.7
61.02927	8.9
65.78397	2.4
67.05509	3.4
68.99763	2.8
69.03435	31.0
69.07072	100.0
70.06605	2.8
70.83708	3.8
71.05008	6.0
71.33651	2.5
73.02924	5.4
81.03424	25.4
81.07037	5.4
84.27962	3.0
85.02908	89.7
86.09707	8.7
87.00835	44.9
91.03973	2.5
93.07034	4.2
95.01369	2.5
97.02897	65.0
97.06564	2.7
99.04449	12.9
105.01873	99.0
108.04480	3.7
109.02904	23.2
117.01866	2.9
124.03961	6.0
127.03924	94.5
129.01878	3.8
131.38968	2.3
145.04970	64.0
147.02907	2.5
159.02931	18.1
177.09193	3.9
189.03944	4.1
195.10236	7.9
213.14894	2.8
231.05022	36.0
249.06078	22.5
249.33435	2.9
278.43475	2.7
334.16714	3.1
352.17532	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	352.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54236	0.7
55.01865	0.7
56.05047	0.9
56.96302	1.0
56.96568	14.6
57.03422	0.8
59.52048	0.6
61.02913	1.0
61.54837	0.6
67.05494	0.6
69.03408	3.7
69.07053	1.3
69.69988	3.9
70.06601	4.9
70.98128	1.3
71.08634	27.2
72.08163	2.2
73.02926	1.7
74.44646	0.7
79.05476	0.7
81.03439	1.5
83.04965	0.8
84.04505	2.4
84.08138	6.7
84.96046	2.2
85.02902	4.9
86.09712	3.8
87.04502	0.8
88.11275	100.0
89.03918	1.7
95.04992	0.8
97.02901	2.9
98.97594	13.1
100.99142	3.9
102.05517	0.7
110.07189	1.7
110.28988	0.6
110.97564	6.7
115.03953	0.9
115.82256	0.8
116.07107	2.7
116.98632	4.8
117.03419	0.9
119.04950	0.7
120.08109	4.0
126.97080	0.8
127.03918	1.5
128.98598	5.6
129.10277	2.0
135.04411	1.7
136.06190	1.1
136.07600	1.5
143.00163	2.4
144.98126	2.5
145.01738	0.9
145.02873	0.8
145.05054	0.7
146.99629	4.9
147.04411	2.0
149.01169	0.9
158.99643	2.5
159.07732	0.8
162.99159	2.0
163.03906	8.0
165.00800	0.9
170.99698	1.9
172.97624	3.4
173.01183	0.7
177.00726	2.4
184.02943	0.8
189.00784	1.6
190.04950	1.0
190.14487	0.8
190.98650	6.9
191.00168	1.0
208.99695	8.2
211.02798	0.9
214.98729	1.9
219.01755	3.6
232.99701	9.4
235.01343	0.8
237.00774	1.4
237.02910	5.2
238.03111	0.8
244.99763	1.1
251.00787	5.4
255.01756	1.9
255.03952	2.0
261.10284	0.8
263.00797	1.9
271.07693	1.6
291.04071	0.9
291.07257	1.0
292.07742	1.1
293.01950	1.2
305.99939	0.9
310.09024	3.6
335.02820	1.0
352.09946	1.5
353.03964	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01886	1.4
55.05514	16.5
57.03447	3.2
57.07065	2.2
67.05510	44.4
69.07066	11.3
70.69239	3.3
71.05006	3.0
71.08651	1.7
75.04489	1.7
76.99792	1.5
79.05500	59.2
79.99122	1.4
80.92534	1.5
81.07066	44.3
83.05001	2.7
83.08624	6.2
85.06538	4.4
91.04905	2.0
91.05491	60.7
93.07053	78.0
95.04984	5.8
95.08614	31.8
97.06529	3.2
97.10187	1.7
99.08089	2.3
105.07037	61.3
107.08609	43.3
109.06526	1.9
109.10169	12.0
111.08083	1.7
113.05943	1.4
113.09660	2.7
117.07040	11.7
119.08595	52.5
121.10159	29.9
123.08101	2.1
123.11739	2.2
127.11217	1.4
129.07013	8.8
131.08585	21.3
133.10144	44.9
135.08093	1.5
135.11707	34.7
137.13251	1.7
142.07674	1.4
143.08571	10.3
145.10120	21.6
147.08067	1.4
147.11700	43.7
149.09677	3.8
149.13269	18.9
151.11169	2.6
153.12794	2.2
157.10153	8.9
159.11710	20.4
161.09686	1.9
161.13281	31.3
163.11191	1.4
163.14847	3.9
165.12860	2.8
171.11691	11.1
173.13290	12.5
175.11255	2.2
175.14847	15.9
177.12801	1.8
179.14430	2.1
185.13272	12.3
187.14832	1.9
189.12869	1.8
189.16452	2.1
199.14822	8.4
213.16454	4.5
217.19589	3.1
231.17465	2.2
231.21126	6.3
232.99162	1.5
241.19539	31.1
259.20602	100.0
260.20706	1.8
277.21680	12.8
301.24725	1.5
333.24368	4.7
351.25369	70.5
352.25992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01870	2.9
55.05517	22.0
57.03447	16.3
57.07089	4.6
59.05018	0.9
65.03941	2.8
67.05511	58.4
69.03439	1.6
69.07076	18.9
71.05000	3.7
71.08638	59.9
71.25468	1.9
72.08159	0.8
77.67714	0.8
79.05499	46.8
81.03423	8.9
81.07066	54.5
83.04993	11.4
83.08631	11.8
85.06536	4.4
90.00873	1.0
91.04903	1.4
91.05486	33.8
93.07051	59.7
95.04980	13.1
95.08614	37.9
97.06533	8.3
97.10168	4.9
97.51180	0.9
99.08100	38.7
105.04526	0.8
105.07035	23.8
107.04973	6.6
107.08601	34.9
109.06544	4.4
109.10165	18.8
111.08077	4.8
113.09660	2.6
117.07013	5.3
119.08584	19.6
121.06517	1.6
121.10150	28.1
123.08120	2.7
123.11726	2.4
125.09648	2.4
127.11195	1.9
129.07033	2.9
131.08594	5.7
133.06519	1.1
133.10146	18.0
135.08112	2.2
135.11700	33.7
137.09605	5.6
137.13261	1.5
139.11221	1.9
141.09117	4.6
143.08598	3.5
145.10133	8.8
147.08058	1.4
147.11710	11.3
149.09639	2.3
149.13271	12.6
151.11192	23.1
153.12770	2.9
157.10205	3.3
159.11691	6.0
161.09660	1.6
161.13268	13.0
163.11191	10.3
163.14886	2.4
165.12840	2.2
167.10722	3.2
171.11707	3.2
173.13298	2.8
175.11183	1.2
175.14856	3.1
177.12770	4.3
179.14323	100.0
181.12212	1.0
185.13274	3.9
189.11259	1.7
189.12828	3.2
195.13872	2.2
199.14900	2.2
203.14378	0.9
207.13797	1.2
209.15491	0.8
213.16621	0.9
221.15442	3.3
231.17436	1.4
231.21135	1.4
235.17004	6.1
241.19653	3.5
259.20615	10.4
277.21658	44.8
351.25378	57.7
352.25543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03440	0.6
57.15509	0.6
58.21953	0.6
67.05511	3.0
69.07085	3.3
70.56679	1.7
71.08631	1.3
72.88568	0.7
79.05496	3.1
81.07062	4.1
83.08617	1.1
91.05489	2.6
93.07048	4.1
95.08609	2.6
97.06539	0.6
105.07055	2.8
107.08597	2.9
109.10174	1.0
111.21273	0.6
119.08593	2.4
121.10169	1.5
122.03664	4.2
133.10165	3.6
135.11714	1.9
137.05991	100.0
145.10132	1.1
147.11687	2.7
149.13286	0.8
153.12776	1.1
159.11700	1.0
161.13284	1.1
165.12848	0.9
170.15404	2.5
182.15414	5.0
213.35590	0.6
241.19461	1.0
259.20615	1.8
277.21576	1.4
306.20673	7.6
351.21469	1.5
351.25385	5.4
352.24734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01861	2.9
55.05512	24.3
57.03424	2.3
57.07094	4.0
67.05507	29.6
69.03435	5.3
69.07068	50.8
69.32597	16.6
71.04990	9.3
79.05492	28.6
81.07059	59.1
83.08618	12.8
91.05486	42.0
93.06492	3.8
93.07050	65.8
95.04980	27.1
95.08612	65.5
97.06530	15.1
97.10174	5.3
105.07041	77.5
107.08602	59.0
109.06536	9.5
109.10158	48.9
111.08076	4.6
111.11691	2.6
115.05456	5.5
116.06252	3.5
117.07035	11.7
119.08588	100.0
121.06504	10.8
121.10149	54.1
123.08047	4.0
123.11716	17.2
128.06235	6.1
129.07016	9.7
130.07776	7.5
131.08586	43.7
133.06508	2.4
133.10146	49.8
135.08081	13.6
135.11681	14.3
137.09584	5.0
137.13255	10.5
142.07784	15.7
143.08571	28.1
144.09343	5.5
145.10133	49.3
146.07292	9.4
147.08063	5.7
147.11681	29.5
149.09622	14.0
149.13268	5.3
153.06815	1.9
155.08560	7.8
156.09369	8.9
157.10118	46.8
158.10866	4.0
159.08076	3.7
159.11722	28.9
161.09633	44.8
161.13248	16.3
163.14796	3.2
169.10156	10.2
170.10948	5.1
171.11722	29.2
172.12314	2.7
173.09717	3.1
173.13254	14.0
175.11224	8.9
175.14848	14.6
177.12778	2.3
177.16405	18.2
179.08603	5.2
180.09247	2.4
181.10155	4.8
182.10916	3.0
183.11705	9.8
185.13235	22.3
187.14804	8.6
189.16437	13.1
193.15759	3.1
194.10910	6.5
195.11737	4.4
196.12463	2.4
196.91295	2.1
197.13287	10.7
199.11084	3.1
199.14789	10.4
201.12669	3.9
201.16428	6.8
203.17964	7.4
209.13228	20.2
211.14821	8.7
213.12706	3.3
213.16371	5.2
215.18002	4.1
223.14894	3.4
227.14377	5.9
227.17915	2.8
237.16385	4.8
239.18074	2.9
241.19601	5.3
249.16286	2.8
255.21097	8.9
259.20636	2.9
267.21136	5.8
281.19049	2.3
333.25668	5.1
351.26822	27.0
373.92529	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	1.3
53.03945	4.1
53.93015	1.0
55.01870	3.4
55.05267	1.9
55.05513	22.2
57.03444	11.7
57.07077	3.5
60.34232	1.1
65.03927	1.8
67.05508	52.0
69.03430	1.8
69.07072	18.0
69.59920	6.5
71.04992	4.7
71.08632	2.4
73.02924	1.9
75.04475	2.4
75.24481	1.0
77.03941	1.1
79.05496	70.1
81.07059	61.2
83.04973	3.9
83.08632	10.2
85.06554	5.6
90.17360	1.0
91.05485	56.2
93.07049	95.4
95.04979	5.5
95.08610	46.0
97.06538	4.7
97.10159	2.8
99.08121	6.1
105.04517	1.9
105.07036	61.9
107.08600	54.5
109.06519	5.3
109.10165	17.1
111.04457	1.6
111.08131	2.6
113.09660	2.9
115.05409	1.2
117.07017	12.4
119.08584	54.3
121.06489	2.0
121.10149	48.2
123.08081	2.2
123.11703	4.1
125.09666	1.5
127.11217	1.1
128.06169	1.5
129.07022	9.0
130.07773	1.2
131.08582	18.5
133.09122	2.5
133.10139	51.2
135.08035	3.9
135.11697	42.3
135.12737	2.5
137.05992	15.2
137.09616	3.0
137.13287	2.2
139.13420	1.2
141.09186	1.1
142.07777	1.7
143.08560	10.6
144.09448	1.2
145.10132	23.2
147.07980	1.2
147.11693	50.1
149.09584	3.9
149.13260	28.9
151.07471	1.0
151.11137	3.1
157.10150	11.2
159.11694	20.6
161.09641	4.1
161.13257	41.0
163.11189	3.7
163.14815	9.9
165.12761	1.9
171.11682	16.2
173.13274	13.4
175.11206	5.0
175.14842	23.0
177.12708	4.3
177.16370	2.0
179.14328	2.2
185.13268	15.1
187.14870	4.1
189.12772	2.7
189.16425	2.5
195.13786	1.7
199.14790	8.1
201.16373	1.4
203.14339	1.4
203.17978	1.8
213.16443	5.8
215.18042	2.9
217.15898	1.8
217.19472	7.4
231.17488	4.0
231.21085	8.9
235.16995	1.2
241.19525	37.1
259.20581	100.0
261.22214	1.4
277.18085	8.3
277.21661	16.2
315.23169	1.7
333.24347	12.0
351.21628	6.7
351.25327	91.2
367.63721	1.1
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
53.03945	4.1
55.05515	17.2
57.03448	9.0
65.03934	2.9
67.05511	47.5
69.07076	13.6
70.91760	4.6
71.04994	4.2
75.04482	3.4
77.03938	2.2
79.05499	65.8
81.06596	3.6
81.07062	61.6
83.08617	7.8
85.06538	3.3
90.10139	1.6
91.05487	49.1
93.07050	92.2
93.64221	1.5
95.04959	4.0
95.08608	38.5
97.06502	3.5
97.10133	2.5
98.20892	1.9
99.08112	3.2
105.07042	58.2
107.07883	3.0
107.08601	54.0
108.08908	1.8
109.06538	3.1
109.10159	17.3
111.08076	2.7
113.09660	3.0
117.07018	9.6
119.08595	51.1
121.06573	2.0
121.10149	40.1
123.11723	4.6
129.06998	9.3
131.08580	19.6
133.10141	51.2
135.08070	2.7
135.11693	46.5
137.09610	2.3
143.08604	10.2
145.10115	20.9
147.11691	51.8
149.09607	2.8
149.13272	31.6
149.38953	1.8
151.11267	2.3
157.10132	12.7
159.11713	21.9
161.13280	37.7
163.11165	4.9
163.14838	8.6
169.10088	2.0
171.11720	11.6
173.13269	10.7
175.14848	15.9
177.12759	2.5
185.13286	12.1
187.14845	3.4
189.12761	2.5
199.14838	6.2
203.14278	1.9
213.16354	5.4
215.17996	2.2
231.17551	2.3
231.21129	11.3
235.16930	1.9
241.19525	41.3
259.20593	100.0
277.21646	16.7
299.90854	1.7
333.24243	11.2
351.25345	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14124	1.9
53.03933	6.6
55.01861	3.8
55.05515	26.2
57.03444	13.2
57.07074	4.4
65.03949	3.5
67.05507	69.0
69.07074	21.9
69.28004	12.1
69.28425	6.5
71.04988	3.7
71.08633	46.9
77.03926	2.5
79.05492	58.7
81.03415	10.5
81.07060	60.9
83.04971	12.6
83.08617	16.4
85.06518	5.1
91.05476	41.1
93.07045	72.6
95.04969	17.3
95.08609	44.8
97.06513	5.8
97.10172	10.1
99.08093	41.2
105.07029	44.2
106.07379	2.5
107.04934	4.3
107.08589	42.3
107.25419	2.1
109.06490	7.5
109.10152	21.0
111.04452	2.6
111.08083	8.0
113.09637	3.6
117.07003	11.3
119.08578	43.1
121.06487	3.4
121.10147	27.7
123.08092	2.3
123.11708	4.7
125.09621	7.7
129.06990	7.7
129.07895	2.4
131.08563	15.7
133.10136	32.0
135.08118	2.4
135.11688	31.4
137.09555	3.2
142.07825	2.3
143.08551	8.5
145.10089	20.5
147.11697	34.2
149.09616	2.6
149.13255	13.3
151.11198	21.7
153.09138	2.4
157.10161	8.8
159.11682	12.4
161.13252	34.7
163.11168	15.5
163.14835	6.0
164.71902	2.9
165.12854	3.7
171.11710	11.9
173.13277	6.8
175.11232	2.3
175.14841	10.1
177.12659	3.4
179.14282	19.6
184.23499	2.6
185.13312	9.7
187.14868	2.5
189.11174	4.8
189.12627	4.3
199.14844	3.2
203.14255	4.2
207.41223	2.1
213.16440	3.3
217.19414	3.3
231.17297	2.3
231.21074	8.2
241.19513	25.9
259.20590	56.2
277.21634	51.0
333.24615	3.0
351.21759	4.8
351.25330	100.0
352.25485	2.4
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
53.03940	4.6
54.33126	1.3
55.01873	4.3
55.05516	28.2
57.03442	15.3
57.07070	5.3
59.04996	1.5
60.38685	1.3
65.03930	3.8
67.05511	79.3
69.06730	2.0
69.07076	22.3
69.38396	11.0
71.04993	5.0
71.08639	15.4
75.04496	1.9
79.05499	70.2
81.03427	9.7
81.07063	66.2
83.04967	7.4
83.08633	12.0
85.06556	3.5
85.10172	1.8
91.05493	47.9
92.01717	1.2
93.07050	82.6
95.04990	11.6
95.08614	44.8
97.06532	6.4
97.10184	12.3
98.66399	1.4
99.08090	15.6
105.07044	52.8
107.04948	3.1
107.08606	51.2
109.06551	4.5
109.10168	26.9
111.08099	3.2
113.09682	2.6
117.07029	12.7
119.08588	45.1
121.10155	41.0
121.11039	2.2
123.08068	2.9
123.11705	4.8
125.09627	9.1
129.06999	7.4
131.08562	15.0
133.10143	44.0
135.08086	2.8
135.11713	38.5
137.09644	3.0
139.11186	1.8
143.08574	8.2
145.10133	20.8
147.07996	1.4
147.11697	36.0
149.09689	2.5
149.13284	23.6
151.11192	11.2
153.12723	1.5
157.10120	8.5
159.11720	16.5
161.09683	2.6
161.13272	30.3
163.11151	7.8
163.14828	8.8
165.12711	2.1
171.11725	12.2
173.13271	9.4
175.11203	1.9
175.14867	16.0
177.12805	4.4
179.14331	18.8
181.12242	2.1
185.13277	12.4
185.77943	1.4
187.14774	2.9
188.80045	1.3
189.11220	4.5
189.12773	3.4
189.16341	1.9
197.53194	1.5
199.14873	7.6
203.14429	1.5
213.16486	3.3
217.19582	5.0
221.15433	3.1
231.17557	2.0
231.21082	7.1
241.19534	29.3
241.21799	2.7
259.20584	67.2
260.20975	2.0
277.21655	41.0
285.39227	1.5
329.51996	1.4
333.24332	8.3
351.25336	100.0
352.25836	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01881	65.1
55.05505	27.4
57.03437	10.4
57.07077	13.5
67.05513	54.5
69.07067	38.3
71.04987	12.1
71.53130	6.5
78.54527	5.4
79.05499	48.9
81.07057	76.8
83.04990	14.8
83.08631	17.4
85.06550	6.6
87.04463	5.6
91.05479	55.6
91.16753	5.2
93.07050	74.4
95.04982	15.7
95.08606	83.4
97.06535	82.0
97.10172	7.2
99.08087	9.9
105.07025	79.7
107.08598	66.4
109.06530	7.3
109.10168	45.0
111.08096	16.0
117.07029	23.8
119.08579	88.5
121.10139	82.9
123.08056	11.3
123.11684	13.4
128.06248	9.8
129.07014	20.9
129.23106	6.1
131.08556	50.9
133.06552	6.8
133.10138	48.9
135.08112	6.2
135.11700	34.1
137.05995	29.5
137.09564	6.3
137.13301	13.5
139.07625	7.3
141.07004	8.9
142.07785	15.2
143.08530	33.2
144.09367	11.6
145.10138	71.2
147.08035	7.6
147.11687	37.3
149.09642	11.1
149.13338	11.3
151.11205	13.8
153.03477	5.6
155.08540	19.8
156.09363	14.0
157.10149	50.8
158.10889	9.2
159.08098	6.6
159.11714	45.1
161.13280	20.1
163.11176	13.2
165.12759	19.7
167.08481	5.8
168.09363	9.1
169.10202	27.3
170.10957	9.7
171.11719	32.2
172.12402	6.1
173.13312	27.7
175.14879	9.1
179.08586	7.0
179.14458	6.7
181.10051	14.2
182.10944	9.6
183.11703	25.0
185.13260	28.5
187.11214	7.4
187.14836	33.7
194.10858	7.2
195.11734	19.6
196.12564	9.9
197.13292	21.7
199.11156	8.9
199.14807	13.5
201.12833	8.6
207.11740	9.5
208.12602	7.8
209.13240	20.4
211.11090	8.6
211.14830	16.4
221.13231	8.7
223.14862	10.5
225.16411	11.9
229.12306	16.8
231.20952	5.7
235.14799	11.2
237.16504	10.4
239.18146	6.7
243.13831	7.3
249.22148	10.9
259.20526	17.7
265.19504	14.6
277.21658	72.9
305.22833	8.1
323.23846	7.2
333.21869	10.7
351.23380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55201	2.1
53.03939	4.4
55.01863	3.7
55.05516	15.3
56.08179	1.8
57.03423	6.1
57.07063	3.0
61.76911	1.9
67.05509	49.7
69.03416	2.4
69.07074	17.8
70.94173	1.9
71.04987	5.0
71.08616	7.6
71.52059	3.3
75.04473	2.7
79.05499	53.4
81.03396	3.4
81.06595	3.2
81.07059	49.2
83.08620	6.9
85.06541	4.5
85.10252	1.8
91.05486	57.2
93.07051	71.9
95.04955	5.8
95.08615	34.8
97.06497	5.6
97.90678	1.9
99.08090	6.6
102.33755	1.8
102.34931	2.0
103.05450	2.6
105.07034	61.9
107.04995	2.0
107.08601	42.1
109.06516	6.8
109.10177	14.0
111.08060	4.7
113.09637	2.8
117.07014	17.6
119.08590	57.2
121.10145	32.5
123.08138	3.6
123.11692	5.7
125.09663	2.9
129.07005	9.8
131.08563	21.7
133.10136	45.3
135.08020	4.3
135.11702	37.1
137.09586	3.4
143.08583	13.1
144.09306	2.2
145.10118	22.1
147.08012	2.8
147.11694	46.7
149.09587	4.4
149.13277	21.2
150.44092	1.7
151.11183	7.2
157.10150	13.0
159.11707	18.0
161.13252	34.9
163.11209	6.2
163.14833	6.2
165.12706	3.3
169.10110	2.3
171.11687	14.3
173.13257	11.5
175.11230	4.1
175.14859	21.6
177.12871	2.4
181.10114	2.4
185.13242	13.9
187.14865	5.6
189.12714	3.9
199.14847	9.2
203.14275	2.9
213.16338	3.3
215.18004	2.3
217.19426	3.2
231.21159	11.0
241.19513	31.8
259.20584	93.2
277.21735	9.2
333.20520	3.7
333.24304	4.2
351.21341	100.0
351.25327	72.6
352.25528	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	351.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71829	2.5
55.01872	4.6
55.05507	10.3
57.03442	30.7
57.07096	3.0
60.04533	3.1
60.56134	2.4
62.85542	2.5
65.35966	2.2
67.05509	26.5
69.03429	4.7
69.07082	18.9
70.06599	26.6
71.05014	4.6
71.52500	3.6
72.08152	8.4
73.06561	4.2
79.05492	6.4
80.34119	2.5
81.03379	5.8
81.07050	11.6
83.04963	5.6
83.08622	11.3
84.04521	5.1
84.08141	10.5
85.02893	9.3
85.06534	5.2
86.09705	14.5
88.03992	3.9
91.05470	9.1
93.07057	8.4
95.01331	12.3
95.04964	5.3
95.08609	5.4
97.02899	6.3
97.06525	6.1
102.05563	3.3
105.03705	3.3
105.07051	4.2
107.04967	5.3
107.08610	5.3
109.06532	4.4
109.10163	56.9
111.08104	4.8
116.07089	7.4
119.04919	3.7
119.08544	2.9
120.08110	10.4
121.06520	2.7
123.04466	3.2
127.03897	5.1
127.11200	92.7
127.12146	4.6
129.10281	3.9
135.11736	3.9
136.07590	8.9
143.08527	3.0
145.04858	3.7
147.04416	29.9
153.12798	14.0
170.08183	4.9
171.13802	100.0
177.05418	3.6
182.08133	6.0
207.11311	2.6
208.11620	3.1
216.88927	2.9
217.06972	4.5
224.77725	2.8
241.08714	2.6
259.13290	36.7
328.12897	3.0
333.14124	3.9
351.11520	3.7
351.23090	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05500	1.2
57.03453	0.5
61.02914	0.6
67.05485	1.9
69.07067	1.1
70.62049	0.7
70.62383	1.0
78.49847	0.5
79.05479	2.2
81.07052	2.4
83.08621	0.8
91.05479	2.1
93.07047	2.1
95.04993	0.8
95.08614	2.2
97.02881	0.6
105.07038	2.6
107.04948	0.9
107.08592	1.6
109.10172	1.0
111.08000	0.5
117.07052	0.6
119.08601	1.3
121.06517	0.5
121.10129	1.7
131.08598	0.8
133.10143	1.6
135.11710	0.5
145.10216	0.9
147.11603	0.6
155.08447	0.6
159.11745	0.7
161.13341	0.7
175.14867	0.7
181.81580	0.5
183.29802	0.5
191.95834	0.5
259.20679	1.1
351.21429	100.0
352.21530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.43797	0.3
53.03944	0.5
55.01862	0.8
55.05500	1.2
57.03428	0.4
57.07067	0.3
67.05510	2.0
69.03422	0.4
69.07063	0.9
70.54737	0.4
71.08633	0.5
71.52297	0.4
79.05485	2.3
81.03423	0.7
81.07071	2.4
83.08631	0.5
85.06569	0.4
86.14240	0.4
91.05476	1.8
93.07080	1.9
95.04984	0.9
95.08581	1.7
97.02873	0.5
97.06522	0.8
105.07044	1.9
107.04954	0.6
107.08617	2.0
107.71259	0.4
109.02881	0.3
109.10144	1.0
111.08067	1.0
119.08606	2.0
121.06470	0.5
121.10165	1.0
123.11706	0.5
129.06953	0.4
131.08562	0.7
133.06578	0.4
133.10117	0.8
135.08047	0.5
135.11751	0.5
137.09578	0.4
145.10147	0.5
147.04465	0.5
147.11731	0.5
159.11702	1.0
161.13272	0.8
163.11169	0.6
165.09106	0.4
171.11687	0.4
187.14822	0.3
207.13847	0.3
209.13258	0.4
211.14905	0.5
215.11241	0.4
217.34596	0.4
243.14471	0.5
256.29059	0.4
259.13333	0.8
277.21637	1.1
291.46188	0.4
297.18979	0.4
305.22595	0.7
333.19983	0.5
351.21420	100.0
352.21609	1.2
352.25034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56886	0.5
56.96566	17.2
69.03439	1.3
70.06591	1.3
70.14468	0.6
70.15144	2.3
70.98126	1.9
71.95261	1.4
74.06085	0.6
84.08148	2.4
84.96030	3.5
85.02905	2.3
88.99153	0.8
97.02912	1.2
98.97589	100.0
100.99119	1.5
101.00893	1.2
110.97581	13.3
112.99136	2.2
116.98629	21.6
117.01988	0.6
119.01922	0.7
124.99152	2.3
126.39996	0.6
126.97056	1.5
127.00697	1.4
128.98616	8.8
129.02281	1.3
131.00174	2.0
131.01900	0.9
134.99661	2.2
140.07094	0.8
140.98608	2.1
143.00185	3.4
144.98123	1.8
145.01688	1.3
145.04941	0.6
146.99635	3.0
147.03288	3.5
147.04353	1.2
149.01216	1.0
152.98613	2.6
158.16098	0.6
158.99663	38.1
161.01219	1.7
161.02924	0.7
163.02734	0.9
165.04369	1.3
170.99677	4.1
171.01967	0.6
171.03238	3.2
172.94260	0.5
172.97592	0.9
173.03134	0.6
173.04684	0.6
175.02924	0.7
177.00728	35.2
185.37920	0.6
189.00792	3.4
189.02454	1.1
189.04280	4.8
190.98689	1.4
195.01746	6.5
200.02411	1.0
201.00740	3.8
201.04248	1.1
203.02257	1.4
207.05421	0.8
208.99748	1.1
212.04173	1.0
212.06026	0.8
217.00233	1.7
219.01773	16.6
221.05031	0.8
231.01607	2.9
231.03618	0.8
231.05431	1.7
235.01227	5.4
237.02826	12.9
243.05498	1.0
249.02744	1.5
253.02325	1.1
255.03891	0.7
261.02701	1.1
270.04694	2.1
275.00674	2.7
291.03970	1.8
291.07486	22.7
293.01913	2.7
309.08554	51.9
315.00278	0.8
332.10242	0.9
333.01248	3.3
351.02252	1.6
351.09708	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	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65854	0.8
55.05498	1.1
56.96306	1.4
56.96569	19.2
66.44400	0.7
69.03429	1.5
69.71130	4.6
70.06577	3.3
70.98134	7.3
71.95254	1.1
72.08170	1.3
73.06554	1.0
84.04513	1.4
84.08144	2.9
84.96034	5.7
85.02896	3.4
86.09699	1.7
88.01578	0.8
88.11247	1.3
88.99161	1.1
91.55853	0.9
97.02905	1.9
98.06037	2.2
98.20853	1.6
98.97593	55.3
110.07169	1.0
110.97584	29.8
112.99116	6.2
115.00699	1.0
116.07092	1.7
116.98627	15.6
120.08131	2.7
124.99146	2.9
126.97031	1.6
127.03921	1.2
128.98615	20.8
129.02278	1.6
129.10220	1.2
131.00163	3.3
134.99635	2.1
140.07074	3.4
140.98607	3.4
143.00204	6.8
144.15492	0.7
144.98071	2.9
145.01714	2.5
146.99631	5.9
147.03293	16.8
147.04295	0.6
149.01195	1.2
152.98604	2.1
155.00160	1.8
155.04645	1.7
158.99657	9.3
160.41220	0.9
161.01228	4.4
162.99081	1.4
163.03915	0.9
165.04356	8.8
170.99731	7.4
171.03259	1.1
173.01198	1.2
175.02776	3.1
177.00732	6.5
185.01381	0.8
188.96671	0.9
189.00749	4.5
189.04346	14.7
193.03860	3.1
195.01765	1.0
201.00743	5.6
201.02258	0.7
201.02730	0.6
201.04260	4.6
203.05934	1.8
204.24341	0.8
207.05453	6.9
213.04416	1.3
215.05846	0.9
217.03804	2.6
219.01779	42.7
219.05275	2.0
222.04437	2.0
223.04483	0.8
231.05417	7.5
237.02832	50.6
243.05495	1.6
249.06406	2.7
252.97939	1.8
255.03941	2.4
291.07513	44.6
292.05130	0.9
309.08578	100.0
310.08923	1.6
332.10181	3.1
351.09634	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05505	0.9
56.05045	2.0
57.07079	13.8
67.05194	0.2
67.05513	2.9
69.07053	0.6
70.06615	0.3
70.66685	0.7
73.02923	0.7
74.06079	2.0
79.26272	0.2
81.07055	0.7
82.06579	0.3
83.08634	0.4
84.04504	1.2
85.02907	0.8
85.62814	0.2
86.06081	0.3
88.29456	0.2
93.07030	0.5
95.08620	0.4
96.08136	0.4
98.06065	0.7
100.11250	0.4
102.05550	1.6
105.07021	0.3
108.08106	0.3
109.10182	2.9
110.82107	0.2
112.07575	0.5
121.51833	0.2
124.03967	0.7
125.09639	0.5
126.12814	1.3
127.11201	5.4
138.12794	0.3
141.11494	0.3
147.04408	0.4
152.14357	18.9
153.14699	0.3
154.12288	0.3
170.23373	0.2
182.15419	27.1
183.15785	0.4
210.14870	0.4
211.49529	0.3
228.15962	100.0
229.16377	1.1
299.55466	0.2
317.88293	0.3
351.19144	4.7
351.24466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73222	1.1
53.03948	2.5
55.05512	8.4
57.03424	3.2
57.07068	1.4
59.04968	1.7
59.37638	1.1
59.59414	1.0
61.02916	1.9
65.03932	1.3
67.05505	8.6
69.03423	3.5
69.07074	5.4
69.17068	0.9
70.06573	3.4
70.48475	0.9
71.05003	11.3
71.36253	2.3
79.05495	5.8
81.03410	2.1
81.06598	1.3
81.07063	20.9
82.77619	0.9
83.04967	2.8
83.08627	12.2
84.08157	1.6
85.02441	1.5
85.02919	18.3
86.09711	5.6
91.05484	4.8
93.07050	44.7
93.20773	1.0
95.04968	1.2
95.08613	26.7
97.02902	3.4
97.06539	24.5
99.04498	0.9
101.09625	4.7
105.07016	1.6
107.08598	56.8
107.59229	1.0
109.10163	35.2
111.08111	2.4
113.09602	1.4
116.98439	0.9
119.08570	1.9
120.08084	2.6
122.02754	1.7
123.11729	16.4
127.03924	2.4
130.44704	1.0
132.76073	1.0
135.11697	100.0
141.12755	3.3
145.04980	1.9
153.12755	48.5
154.12964	1.3
171.13812	59.5
175.82759	1.1
177.19870	1.2
211.13254	2.9
327.07626	1.4
350.15656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82442	1.5
53.03957	2.2
55.05505	6.4
57.03430	3.2
59.04985	2.5
60.04523	2.8
61.02930	1.7
67.05511	11.6
69.03423	4.3
69.07083	7.2
69.91141	3.4
69.91555	4.9
70.06580	3.2
71.04993	3.9
72.08140	2.4
79.05489	8.4
81.03413	3.5
81.06599	1.9
81.07057	27.1
83.04995	3.8
83.08621	3.5
85.02898	9.7
86.09704	11.7
88.39081	1.5
91.03912	1.5
91.05472	6.7
92.61211	1.5
93.07045	48.6
95.08060	2.6
95.08609	27.2
97.02880	4.3
97.06536	28.6
100.11242	2.0
105.07032	4.2
107.08595	59.2
109.10155	41.9
109.10847	3.0
111.08157	1.8
113.09643	2.0
117.03377	1.8
119.08576	3.4
120.08111	16.6
123.11713	14.6
127.03927	2.5
133.10121	1.5
135.11697	100.0
136.06154	9.6
141.12746	4.3
143.95088	1.5
145.02837	3.8
147.29968	1.5
148.06270	2.6
152.05670	4.6
153.12747	56.1
157.13354	6.3
171.13809	42.4
177.05452	7.3
181.08716	1.4
185.12975	2.3
190.10837	14.9
191.11821	4.3
210.14935	1.9
212.14061	1.5
234.13539	2.8
252.14594	3.4
277.23123	1.8
306.19260	6.2
324.61633	2.9
332.27020	1.7
344.31021	1.7
350.22098	18.2
352.71884	1.5
363.33813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03943	0.7
55.05518	3.7
57.06836	0.4
57.07074	4.2
57.72988	0.5
67.05511	3.5
67.87359	0.5
69.07078	3.5
69.25559	0.5
69.25880	4.0
71.04970	0.9
71.08641	3.1
79.05499	3.5
81.07060	7.4
83.08584	1.2
85.06554	3.0
91.05471	3.1
93.07049	5.6
95.04961	1.3
95.08612	5.4
97.06514	0.7
97.10159	0.9
98.21551	0.9
99.08069	1.5
105.07021	4.9
107.08614	3.8
109.06519	17.7
109.10155	2.6
111.08074	0.7
117.06992	1.0
119.08590	5.0
121.10154	4.3
122.07294	2.4
123.08075	24.3
123.11665	1.3
129.06929	0.5
131.08566	2.7
131.92529	0.4
133.10147	2.6
135.08009	2.8
135.11690	1.0
137.09579	0.7
142.07799	0.6
143.08557	1.4
144.09276	0.9
145.10188	2.7
147.11687	1.7
149.09563	0.8
157.10112	1.5
159.11707	1.7
161.09660	0.8
161.13202	1.1
165.12775	1.1
169.10095	0.9
169.22989	0.4
171.11678	0.9
173.13219	1.1
179.14317	100.0
180.14671	1.0
187.14859	0.7
193.15878	2.6
197.13301	0.7
200.64130	0.4
209.13322	0.6
211.14806	0.7
213.16379	0.4
227.14290	0.7
247.59732	0.5
293.21234	0.6
331.26297	2.0
340.94299	0.5
349.27420	93.6
350.27710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93201	0.5
53.18894	0.7
55.05511	2.9
56.05037	5.3
56.57039	0.5
57.03434	0.6
58.06593	0.7
60.04226	1.2
60.04527	21.6
60.72004	0.6
61.01140	2.3
67.05488	0.9
69.03437	0.8
69.07063	1.6
70.02941	1.7
70.06207	0.9
70.06594	16.6
71.04972	0.7
71.51268	0.6
72.08159	5.6
74.02434	0.7
74.06063	1.0
76.02199	0.9
76.03973	0.6
78.61928	0.6
79.05494	1.5
80.46067	0.5
81.03433	0.7
81.07041	2.2
83.08604	2.5
84.04510	4.6
84.08145	4.9
85.02908	1.2
86.06060	1.2
86.09708	74.6
87.02689	1.3
87.04457	1.3
87.05593	16.1
87.10009	0.6
88.03965	0.9
91.05462	1.3
93.07034	1.5
94.79790	0.7
95.04970	0.8
97.02868	0.9
97.06546	0.8
98.06062	2.1
98.97585	0.7
102.05546	2.4
104.05332	8.8
105.03715	1.0
105.07018	1.5
107.08603	1.2
110.07185	0.9
111.08112	0.7
112.11243	0.7
116.07100	8.3
120.08116	6.3
121.06548	0.6
121.10152	1.0
122.02708	1.2
122.06346	0.9
126.32719	0.7
127.03905	0.6
128.10730	10.8
129.10245	2.2
130.04996	1.2
130.06525	0.9
130.08589	0.7
132.08092	1.1
133.03201	5.9
143.08241	0.8
143.11800	0.6
144.08070	1.0
147.04410	1.6
150.05843	20.1
156.10130	0.7
159.09181	0.7
162.09114	0.6
171.10217	0.8
173.12866	100.0
175.08655	0.7
185.09160	0.7
201.12347	29.4
203.09268	0.7
205.08989	1.7
207.11304	4.1
211.13663	0.6
221.09181	1.2
222.11365	0.8
227.19215	0.6
235.10902	1.3
252.16089	0.7
263.14154	3.1
288.17999	2.0
314.19397	0.8
332.20895	0.9
350.18118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01849	0.8
55.05522	4.2
57.07064	0.8
58.82214	0.5
67.05515	3.3
68.80209	0.4
69.06729	0.8
69.07072	8.4
69.29200	4.0
70.97659	0.4
71.04991	1.1
71.08641	0.7
73.03774	0.5
75.18002	0.4
75.54035	0.4
79.05500	2.5
81.07056	6.6
83.04972	0.7
83.08627	3.3
85.06537	0.5
87.05774	0.4
91.05486	1.6
93.07039	4.3
95.08608	6.8
97.06529	1.8
97.10157	1.1
105.07018	2.4
107.08604	4.5
109.06528	7.3
109.10165	3.1
111.08079	1.8
119.08589	2.5
121.10158	3.0
122.07348	0.8
123.08077	53.2
123.11686	1.3
131.08569	0.6
133.10173	2.6
134.48396	0.5
135.08080	3.9
135.11703	1.8
137.09645	3.7
145.10161	0.7
147.11696	1.7
149.09639	1.3
149.13255	2.3
155.73993	0.5
159.11740	0.9
161.13313	0.8
163.11157	0.5
165.12756	0.6
171.11781	0.5
173.13202	0.9
177.12749	0.7
179.14314	6.4
266.38806	0.5
275.20160	1.2
289.25470	0.7
293.21140	14.0
316.22980	0.6
331.26471	2.5
349.27396	100.0
350.27795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.04021	0.4
51.16489	0.4
53.03939	0.8
55.01873	0.7
55.05518	4.7
55.52977	0.4
57.07073	1.3
67.05506	4.5
69.06730	0.7
69.07076	9.0
71.04988	1.1
71.08611	0.6
79.05493	2.9
79.17265	0.4
81.07057	7.4
81.20087	0.4
83.04979	0.8
83.08611	3.3
85.06564	1.0
88.99518	0.4
91.05479	2.0
93.07054	4.2
95.04990	0.5
95.08622	7.7
97.06532	1.6
97.10167	0.7
105.07044	2.5
107.08600	4.6
109.06528	9.4
109.10166	3.2
111.08118	2.1
119.08590	3.4
119.72347	0.4
121.06513	0.5
121.10155	3.9
122.07332	0.5
123.08081	59.9
123.11728	1.3
125.09670	0.5
131.08565	1.4
133.10158	2.2
135.08063	4.3
135.11688	1.3
137.09637	3.7
137.13277	0.8
139.10970	0.5
145.10097	1.2
147.11687	1.5
149.09639	2.2
149.13275	1.6
151.11154	0.4
159.11703	1.1
161.13219	0.9
163.11234	0.5
165.12823	0.9
167.14296	0.5
173.13263	0.9
177.12787	0.7
179.14323	10.2
180.65990	0.4
233.18942	0.5
275.20084	1.3
283.75647	0.5
289.25302	0.6
293.21140	15.6
294.21609	0.5
307.22607	0.7
331.26294	2.6
349.27411	100.0
350.27661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.05521	21.8
57.03432	2.5
57.07074	7.9
65.03941	3.2
67.05510	28.7
68.21643	2.3
69.03426	3.4
69.07072	19.1
70.49171	2.5
71.04993	6.4
71.08615	2.4
71.52807	3.5
79.05495	30.9
81.06594	3.7
81.07063	48.8
83.04997	4.5
83.08614	8.8
91.05488	48.2
93.07049	71.1
95.04973	24.7
95.08614	57.4
97.06522	12.1
103.05461	5.2
105.07038	100.0
107.08604	51.3
109.06506	11.3
109.10167	39.8
111.08040	3.4
115.05425	4.3
117.07043	17.1
119.08590	79.9
121.06526	6.6
121.10151	71.7
123.08074	7.9
123.11710	16.5
128.06224	7.5
129.07051	14.8
130.07782	10.1
131.08578	49.9
133.06487	2.2
133.07658	2.7
133.10139	46.1
135.08066	11.2
135.11691	18.3
137.09538	4.5
141.06973	4.5
142.07813	16.2
143.08575	36.6
144.09299	11.4
145.10136	52.0
147.08061	7.2
147.11696	27.8
149.09624	10.3
149.13281	4.6
153.07068	3.1
154.07840	3.5
155.08542	15.6
156.09329	11.4
157.10136	45.7
158.10860	6.6
159.11702	27.7
161.09630	19.0
161.13263	14.0
167.08586	7.2
167.97672	2.4
168.09290	3.5
169.10120	21.4
170.10948	8.2
171.11711	21.8
172.12479	3.5
173.09665	7.6
173.13257	15.5
175.11217	4.1
175.14883	12.4
179.08559	11.9
179.14293	2.6
181.10179	10.1
182.10806	2.8
183.11723	17.0
184.12469	5.1
185.09726	4.5
185.13255	15.5
187.11261	3.8
187.14781	22.6
189.12674	3.7
194.10915	8.4
195.11726	13.8
196.12430	3.9
197.13258	15.6
198.21364	2.4
199.14725	10.8
200.15598	3.6
201.12813	3.5
201.16489	6.2
207.11768	4.2
208.12207	3.1
209.13277	17.7
210.14043	6.0
211.14783	11.6
213.12816	3.9
213.16463	6.3
215.14336	3.2
221.13268	3.6
223.14819	8.2
225.12743	3.2
225.16393	7.9
227.14336	18.6
237.16313	4.2
239.17966	8.4
247.14864	4.4
251.17891	6.0
253.19511	4.8
265.15887	2.8
265.19485	6.4
266.20181	3.3
275.20358	3.3
279.17511	3.9
281.19174	2.3
293.19046	7.1
331.24130	4.8
349.25073	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.7
55.05518	24.6
57.07060	6.6
61.45999	3.2
65.03903	3.4
67.05513	36.3
69.03436	8.0
69.07072	23.7
69.32616	32.5
69.32945	6.7
71.04995	6.4
71.08624	4.1
79.05500	33.2
81.07068	48.1
83.08604	10.1
87.10930	3.2
89.06031	6.0
91.05489	53.3
92.59171	3.7
93.07052	84.5
95.04947	24.2
95.08605	41.4
97.06521	13.7
105.04501	4.5
105.07043	100.0
105.15048	3.9
107.08600	57.1
109.06506	16.1
109.10166	41.0
111.08111	4.7
115.05453	5.3
116.06219	4.9
117.07012	18.7
119.08589	93.1
121.06489	10.7
121.09348	6.2
121.10158	81.9
123.08044	16.8
123.11716	5.1
128.06190	5.8
129.06982	17.5
130.07768	7.7
131.08572	57.7
133.06531	4.3
133.10132	60.2
135.08058	18.5
135.11703	28.5
141.06960	5.9
142.07777	17.0
143.08568	32.8
144.09445	9.3
145.10133	66.9
147.08012	10.2
147.11670	20.3
149.09633	11.9
154.07803	5.0
155.08566	12.6
156.09355	10.8
157.10112	41.9
159.11711	31.2
161.09653	24.6
161.13251	12.9
163.11261	4.2
167.08626	5.1
169.10130	22.4
170.10886	8.7
171.11671	24.2
171.91011	3.8
173.09654	6.1
173.13231	25.9
175.14827	11.7
179.08548	8.8
179.14261	7.4
180.09296	4.1
181.10124	9.8
182.10938	9.2
183.11713	13.7
185.13274	15.8
187.14835	20.2
189.12700	6.9
193.10091	4.6
194.10841	4.9
195.11668	12.4
196.12309	4.4
197.13251	19.7
199.14828	14.5
200.15585	3.6
201.16417	4.0
207.11617	3.5
209.13208	23.6
211.14815	12.1
213.16435	6.3
221.13225	7.7
223.14639	8.7
227.14247	9.2
233.13368	4.8
239.17940	9.7
265.19485	6.3
275.20041	5.9
331.24176	5.5
349.24979	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48538	1.1
53.03938	3.8
55.01861	5.8
55.05512	17.7
56.96563	2.0
57.03439	35.8
57.07074	2.9
62.54546	1.2
67.05508	38.6
69.03439	1.7
69.07070	18.5
69.17960	10.2
71.04997	3.8
79.05499	45.1
81.03419	2.0
81.07060	43.0
83.04993	6.1
83.08621	9.8
85.06541	5.6
85.64448	1.3
91.05487	57.9
93.07047	51.9
93.07641	2.7
95.04955	7.6
95.08615	32.7
96.21521	1.2
97.06519	8.6
97.10161	2.8
99.08114	4.3
103.05463	2.9
105.04498	1.7
105.07035	66.8
107.04971	6.3
107.08602	35.7
109.06518	10.8
109.10163	11.4
111.08088	4.8
113.97527	1.2
117.07021	25.6
119.08587	53.3
121.06517	8.0
121.10148	12.4
123.08057	5.1
123.11652	3.1
125.09623	2.1
125.36664	1.2
128.06226	3.8
129.07021	11.3
130.07777	2.1
131.08572	37.7
133.06476	2.7
133.10139	29.9
135.08069	7.0
135.11699	7.5
137.09633	2.4
141.06999	3.7
142.07784	1.9
143.08578	15.2
144.09383	1.9
145.10135	41.2
147.08043	3.6
147.11699	27.0
147.46075	1.3
149.09648	8.8
149.13255	3.6
151.11145	1.5
155.08556	3.9
157.10138	14.4
159.08092	2.2
159.11694	43.5
161.09650	5.7
161.13274	14.3
163.11163	7.9
163.14839	1.5
165.12813	1.9
169.10155	4.7
171.11682	8.2
173.09631	2.4
173.13303	17.2
175.11234	4.3
175.14818	6.6
177.12766	4.2
181.41377	1.6
183.11732	6.8
185.13281	18.8
187.11224	1.8
187.14828	3.6
189.12717	1.7
190.12656	1.2
191.14276	3.5
197.13313	5.5
199.14816	3.1
201.12805	2.5
201.16438	2.3
203.14297	9.3
205.15669	1.4
207.13768	2.2
211.14894	1.7
215.14517	1.5
219.13806	3.4
219.17453	14.1
221.15381	3.1
229.15936	1.3
229.19490	3.7
239.17920	16.2
247.20587	2.5
247.52081	1.3
257.19025	40.9
264.10208	1.6
275.20081	74.8
277.18097	3.9
293.21167	5.6
331.22644	5.2
349.12341	3.1
349.20181	5.3
349.23770	100.0
350.24426	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03947	6.5
55.01878	13.9
55.05513	38.1
56.72218	2.1
57.03207	1.8
57.03443	25.1
57.07066	2.3
61.02930	2.2
61.26261	2.0
65.03938	2.8
65.82405	1.9
67.05507	59.2
69.03432	13.1
69.06729	3.8
69.07072	38.5
69.32853	4.0
69.33259	13.5
69.74562	2.3
70.06594	2.1
71.04977	3.6
73.02906	2.1
77.03912	2.3
79.05496	89.8
81.03431	13.1
81.06595	3.8
81.07059	65.6
82.19292	2.1
83.04977	8.9
83.08621	15.8
85.02898	5.7
85.06548	3.6
86.09677	2.9
91.05482	73.5
93.06490	4.5
93.07048	62.0
95.01355	3.4
95.04981	15.8
95.08612	41.3
97.02915	11.1
97.06544	22.2
97.10174	14.5
103.05515	2.2
105.07037	88.0
107.04961	28.5
107.07883	4.9
107.08596	81.1
109.06527	10.0
109.10145	21.5
110.66872	1.9
111.04408	4.0
111.08089	5.1
115.03988	2.5
115.05471	3.3
117.07034	30.3
119.08584	46.1
120.08099	8.1
121.06515	8.8
121.10154	18.8
123.04483	2.8
123.08067	6.8
123.11727	3.8
125.09633	12.5
129.06998	11.2
131.08589	36.2
133.06480	5.7
133.10120	35.1
133.18248	2.1
135.08061	7.4
135.11671	13.6
137.09602	3.2
141.06966	5.0
143.08562	16.1
145.06480	4.6
145.10130	78.6
147.08060	6.3
147.11707	31.2
149.09618	23.7
149.13260	4.0
151.11205	4.0
155.08565	6.0
157.10109	14.6
159.08064	4.5
159.11690	29.9
161.13275	11.4
163.11223	9.9
165.09126	2.2
166.08749	3.0
169.08704	2.0
169.10127	5.5
171.08067	2.5
171.10350	3.9
171.11705	14.1
173.09581	2.2
173.11874	3.1
173.13266	9.4
175.07498	3.2
175.11143	2.6
175.14734	3.0
177.12741	5.5
179.14345	5.3
181.12271	2.4
183.10205	2.0
183.11655	10.7
185.13229	5.6
187.11206	4.8
187.14861	3.0
189.11211	8.8
189.12759	4.0
195.11722	8.1
197.13295	9.6
201.12738	2.9
203.14284	4.3
211.14815	2.7
217.15860	2.3
219.17360	5.3
229.19510	4.7
239.17950	16.9
257.16318	2.8
257.19022	50.9
271.16922	3.1
275.20068	69.3
293.21082	2.1
331.19092	3.8
331.22714	8.6
349.20099	26.1
349.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.01876	5.0
55.05515	13.0
56.96561	1.9
57.03439	13.8
57.07077	2.2
57.81791	0.8
65.03927	1.5
67.05508	24.5
69.03438	2.2
69.07077	17.6
70.10044	2.7
71.05005	2.0
73.88406	0.8
79.05075	1.3
79.05504	20.0
81.03420	1.5
81.07061	30.2
83.04995	6.9
83.08603	4.5
85.06538	1.4
91.05482	21.3
93.07052	25.8
93.07642	1.5
95.04968	7.5
95.08607	16.0
97.06537	3.5
97.10185	2.3
105.07041	22.3
107.04965	9.3
107.08602	16.6
109.06528	11.5
109.10173	7.9
111.08060	1.7
115.05509	1.2
117.07020	8.4
119.08594	14.4
121.06507	11.1
121.10138	7.4
123.04435	0.9
123.08046	5.2
123.11701	2.8
125.09602	0.9
129.07001	2.9
131.08562	16.5
133.06503	3.8
133.10135	16.5
135.07166	1.0
135.08057	5.5
135.11678	5.3
137.09608	2.5
143.08556	3.6
145.06473	2.7
145.10129	12.5
147.08075	3.3
147.11697	11.7
149.09631	6.1
149.13278	2.6
151.11182	5.2
155.08673	1.7
157.10133	2.6
159.08017	2.1
159.11711	7.7
161.09653	3.9
161.13287	3.3
163.11194	6.4
165.12747	1.4
169.10191	1.5
171.11679	1.9
173.09671	2.1
173.13272	6.2
175.11229	3.2
175.14813	1.7
177.12732	3.1
183.11755	1.2
185.13283	1.5
187.11234	1.7
187.14810	1.3
189.12714	1.5
191.14389	2.5
192.44363	0.9
197.13229	1.1
201.12721	2.8
201.16417	2.1
207.13889	3.3
213.07799	0.9
215.14310	1.7
215.17873	2.0
219.13863	5.1
229.19574	2.7
231.17352	1.0
239.17976	4.1
247.20514	4.1
257.19031	14.6
270.78424	0.9
275.20078	100.0
276.20508	1.5
285.10300	0.9
293.21088	10.0
342.27032	1.0
349.16907	2.7
349.23761	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01878	6.4
55.05267	1.9
55.05509	15.9
56.16487	1.0
56.89446	1.2
57.03437	15.3
57.07067	1.9
59.65739	1.1
60.04499	2.1
65.03934	2.6
67.05505	40.9
67.59439	1.0
68.44671	1.1
69.03437	6.5
69.07066	17.2
69.54108	2.4
69.54525	5.4
71.04973	3.6
72.81956	1.0
79.05496	32.8
81.03409	3.2
81.07057	45.5
83.04996	9.9
83.08608	6.5
85.02906	2.8
85.06551	2.3
91.04910	1.5
91.05485	34.9
93.07047	38.1
95.04971	9.9
95.08607	23.2
97.02887	5.3
97.06536	6.4
97.10159	4.0
99.08121	1.4
103.05467	2.7
105.07034	37.0
107.04951	10.9
107.08592	22.9
109.06513	16.1
109.10169	10.4
111.04466	1.5
111.08085	2.3
115.03937	3.8
115.05474	1.8
117.07021	12.1
119.08587	21.7
121.06507	15.2
121.10152	15.2
123.08076	5.2
123.11681	2.7
125.06026	1.4
125.09621	2.4
128.06218	2.2
129.07010	4.1
130.07814	1.5
131.08568	19.5
133.06497	4.2
133.10123	19.4
135.04460	1.2
135.08052	5.0
135.11719	6.7
137.05966	1.9
137.09625	2.0
139.07555	1.3
141.06989	2.7
142.07739	1.3
143.08542	4.4
145.06482	3.5
145.10115	20.6
147.08055	4.5
147.11656	10.9
149.09619	7.2
149.13283	4.5
151.11182	5.1
155.08502	3.8
157.06552	1.3
157.10136	4.5
159.08055	4.4
159.11694	11.9
161.09618	3.8
161.13223	5.2
163.11145	6.9
169.10133	3.2
171.11697	4.4
173.09608	4.7
173.11803	2.7
173.13274	7.0
174.12088	2.8
175.11191	3.9
175.14850	2.2
177.12743	3.6
183.11707	4.6
185.13205	2.1
187.11232	3.2
187.14850	2.6
189.12808	1.5
191.14326	4.1
197.13239	2.1
199.14925	1.4
201.12804	3.3
201.16389	1.1
207.13797	2.5
215.14340	2.1
215.17819	1.2
219.13818	4.7
229.19569	3.3
233.18941	2.2
235.16977	1.2
239.17906	4.8
247.20612	4.0
257.18997	20.1
259.16940	3.3
269.12436	2.2
271.16885	1.2
275.20071	100.0
276.20343	2.1
278.21973	1.8
293.21155	9.3
331.19006	2.0
349.19913	18.0
349.23749	55.0
350.24149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54345	2.3
53.03944	14.3
55.01882	15.6
55.05516	31.0
57.03439	18.2
65.03960	5.4
67.05513	82.3
69.03426	2.8
69.07076	64.9
69.64782	13.3
71.05003	5.1
71.34608	2.4
79.05499	58.1
81.03427	32.0
81.07064	92.3
83.05000	14.2
83.08630	14.4
84.06607	2.3
87.42092	2.7
90.54182	2.2
91.05491	80.4
91.76394	2.5
93.06487	4.9
93.07052	71.9
95.01336	25.2
95.04980	24.8
95.08617	70.0
97.06528	22.0
97.10179	7.3
98.20789	5.2
99.08092	3.4
105.07039	100.0
107.04961	47.3
107.08604	26.8
109.06518	12.1
109.10143	17.6
111.08134	3.2
115.05487	2.3
117.07035	25.6
119.04944	2.7
119.08601	52.7
121.06535	10.1
121.10129	17.3
123.04446	6.2
123.08093	13.7
123.11709	4.1
125.09717	2.8
129.07007	6.1
131.08566	39.5
133.10141	63.0
135.08067	5.2
135.11728	14.7
137.09644	4.8
141.07019	8.3
143.08560	3.7
145.06490	9.8
145.10129	27.4
147.11690	25.1
149.09650	12.7
149.13260	7.4
150.07634	2.5
155.08554	2.9
157.10164	7.9
159.11702	29.1
161.13240	13.0
163.11214	9.1
165.09109	3.2
169.10205	2.9
171.11655	4.8
173.13298	9.1
177.12788	9.7
179.14340	35.7
183.11787	4.4
187.11211	10.8
188.86368	2.7
195.13849	3.0
197.13319	5.6
229.19562	5.6
239.17886	4.0
241.14409	3.1
247.20625	7.7
257.19022	14.4
275.20096	83.7
349.23767	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01867	0.5
55.05506	1.2
57.03439	0.9
58.06592	0.4
67.05508	3.2
68.05021	0.4
68.30436	0.4
69.03418	0.7
69.07067	1.7
69.48109	0.4
70.57134	1.2
71.05007	0.7
79.05499	2.6
81.03413	1.1
81.07059	3.1
83.04982	0.4
83.08585	0.4
84.24469	0.4
85.02895	0.4
85.90405	0.4
91.05489	2.6
93.07063	2.4
95.04989	1.1
95.08630	2.1
96.08148	2.7
97.02893	1.3
97.06551	0.9
98.21388	0.4
105.07057	2.9
107.04955	0.8
107.08588	1.9
109.06491	0.7
109.10159	0.9
112.07639	1.7
115.03917	0.6
115.05469	0.4
117.07025	1.3
119.08577	2.2
121.06542	0.6
121.10153	1.1
129.07005	1.0
131.08600	1.2
133.10147	0.8
135.04474	0.5
135.11653	0.6
137.05795	1.2
138.09090	0.4
145.10146	1.3
147.11731	0.7
156.32816	0.5
157.10100	0.7
159.11722	0.9
177.12642	0.5
203.65977	0.4
204.10495	0.4
221.11655	0.5
222.81673	0.4
257.19058	0.4
261.14758	0.7
273.18408	0.4
275.20206	1.3
313.17303	0.4
331.19211	0.7
331.22986	0.4
349.19888	100.0
350.20093	1.4
350.23877	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01874	5.6
55.02087	1.1
55.05512	19.4
56.96552	1.8
57.03163	1.1
57.03440	22.6
57.07065	1.8
65.03930	1.8
67.05508	40.3
69.03419	2.7
69.06727	1.7
69.07069	19.3
70.06595	1.2
71.05004	2.6
71.52545	1.6
78.37463	1.0
79.05497	45.1
81.03410	3.2
81.07063	40.2
83.05006	7.8
83.08630	7.5
84.69868	1.0
85.02891	1.2
85.06541	2.2
91.04909	1.5
91.05484	36.4
93.07047	42.3
93.07637	2.0
95.04971	10.1
95.08612	27.1
97.02885	5.4
97.06542	5.3
97.10155	5.4
99.08075	2.5
101.73696	1.2
105.07040	43.4
107.04945	9.2
107.07876	2.3
107.08599	37.6
109.06524	14.3
109.10155	13.8
111.08066	4.0
117.07011	14.0
119.08591	27.4
121.06500	11.0
121.10144	17.5
123.08080	7.5
123.11708	4.0
125.09647	4.9
128.06262	1.5
129.07021	7.8
130.07799	1.3
131.08575	24.5
133.06500	2.2
133.10141	26.1
135.08076	5.4
135.11688	8.3
137.09616	3.8
141.07013	1.8
143.08603	8.5
144.09305	1.4
145.06483	1.6
145.10130	33.7
147.08076	4.4
147.11690	20.8
149.09612	10.2
149.13243	4.3
151.07419	1.4
151.11197	4.3
153.12820	1.3
155.08557	3.0
157.10112	7.3
159.08049	2.0
159.11699	20.5
161.09616	2.9
161.13248	6.8
163.11212	7.3
163.14806	1.4
165.09105	1.2
169.10110	3.0
171.11679	4.6
173.09578	3.7
173.13228	7.2
175.11270	2.4
175.14854	2.2
177.12758	3.2
183.11732	5.6
185.13292	7.1
187.11189	2.5
187.14830	2.8
189.11238	3.4
191.14267	2.5
197.13284	3.9
201.12723	2.4
201.16396	1.6
203.14369	3.0
207.13872	2.4
211.14874	1.3
215.18010	1.5
219.13901	1.9
219.17471	8.0
229.19566	2.9
239.17987	9.6
242.69257	1.0
247.20692	3.6
257.19012	24.7
270.82730	1.2
275.20074	100.0
276.20441	2.1
293.21048	8.2
295.64383	1.0
331.22864	2.4
349.20209	4.2
349.23770	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16060	2.7
56.96547	8.8
67.03728	11.3
69.53207	19.5
74.73497	2.8
75.38800	2.7
82.99854	4.7
84.08158	3.1
91.03713	6.0
94.92987	5.0
97.04776	5.4
98.21581	5.3
101.00868	31.9
109.19278	2.6
110.97577	3.7
113.00861	15.6
115.02401	3.5
119.01909	23.9
119.97874	3.1
131.01913	22.1
133.03517	8.0
139.02448	7.0
142.06917	2.8
143.01906	13.1
145.03424	6.5
155.01875	17.7
157.03494	14.1
159.04958	3.8
161.02960	7.1
167.01961	4.7
168.99826	10.7
169.06839	21.6
173.03014	20.9
183.01329	7.3
185.02942	14.3
187.00867	7.2
187.07915	23.0
196.99265	6.2
199.00858	6.0
201.02492	22.3
201.30351	3.0
203.03941	9.6
205.02014	3.1
205.08978	5.4
213.02452	10.8
215.00342	19.6
219.03519	15.7
221.05043	15.2
229.01956	66.7
231.03532	4.0
239.06073	10.1
241.01901	7.9
247.03015	51.6
247.40547	2.8
250.89627	3.2
252.84409	3.0
259.03043	27.3
277.04166	4.7
289.04047	18.6
303.05478	3.6
317.03464	8.0
331.05042	6.6
349.05994	33.6
349.11841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
60.04519	1.3
61.02934	1.6
69.03421	3.9
69.07066	1.8
70.06600	10.1
71.04979	1.4
71.51111	2.0
72.08136	2.5
81.03429	1.8
81.07020	1.5
83.04973	1.1
84.04514	1.8
84.08141	4.2
85.02903	6.2
86.09717	8.2
91.05482	1.3
93.82722	1.3
97.02878	3.0
102.05560	1.6
107.08598	1.2
111.04390	1.2
124.81914	1.3
129.10297	1.8
130.06548	2.4
136.07552	1.6
175.06479	1.1
182.08157	1.3
185.04233	24.9
187.03691	50.5
204.08684	1.8
221.05020	2.5
221.87080	1.2
234.98970	1.9
349.08963	100.0
349.13470	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1072
Annotation	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Peak:m/z	Relative Intensity
56.96568	38.4
69.03425	0.7
70.06591	1.2
70.98122	4.0
70.99847	0.5
71.51906	0.5
71.95264	0.9
72.96040	0.9
74.97612	0.6
78.33598	0.4
79.92600	0.5
82.99865	0.5
83.97610	1.2
84.04506	1.0
84.08144	2.7
84.96028	1.8
85.02894	1.2
86.09703	0.7
88.99151	1.9
89.03871	0.5
97.99192	1.3
98.97591	4.5
100.99140	2.4
101.00881	2.6
109.99194	0.7
110.97579	5.3
113.00901	1.4
116.98613	1.0
119.01952	2.2
124.99161	0.5
126.02240	0.7
126.97033	1.4
127.02434	0.5
128.98601	8.5
129.10245	0.8
130.08627	0.6
130.93327	0.5
131.01897	1.9
133.03508	0.9
138.02281	0.5
139.02342	0.9
140.98596	0.5
142.36781	0.5
143.00127	0.7
143.01912	1.4
144.96849	0.6
144.98067	1.4
145.01669	0.5
145.03482	0.7
146.99664	6.4
147.04396	0.6
152.58482	0.5
154.96535	1.0
155.01897	1.7
156.98140	0.5
157.03433	1.2
158.99748	2.2
159.00862	0.5
161.01180	0.8
161.02933	1.1
162.99106	0.9
163.00685	0.8
163.02669	0.7
163.03862	0.9
165.00732	2.9
165.02252	1.3
165.99428	0.7
168.03377	1.1
168.99896	0.7
169.01764	0.9
169.03357	0.4
169.06857	0.8
170.99765	0.8
172.94382	3.1
172.96141	0.6
172.97585	5.2
173.03000	2.2
174.99142	1.5
175.00661	0.4
177.00739	1.1
177.02266	1.7
179.00246	0.4
183.01515	0.6
183.03281	1.4
185.01361	0.4
185.02969	1.5
186.04355	1.7
186.99178	1.1
187.00854	0.7
187.02760	1.1
187.04382	0.5
189.02475	0.5
190.95422	1.0
190.98634	4.9
191.03891	1.1
192.03358	2.0
193.00218	0.8
193.01738	4.1
194.04959	0.8
195.03278	1.7
197.01274	0.7
198.53659	0.5
201.02448	2.8
201.04256	1.0
203.03993	1.4
204.03586	0.8
204.05443	2.0
205.00194	5.8
205.01852	1.1
205.03535	0.6
207.03354	2.0
208.06480	0.9
208.99660	3.0
209.04826	1.2
210.04341	0.5
211.02753	2.1
213.02539	0.9
213.04358	1.0
215.00378	1.1
216.96941	1.6
217.01950	0.6
218.98297	0.9
219.01715	1.3
219.03513	1.0
220.02846	1.0
221.05054	2.1
222.04404	0.8
222.06439	0.6
223.01221	2.5
223.02713	0.7
225.04356	1.0
226.07468	1.3
227.00732	0.5
229.01883	5.4
229.05389	0.6
231.03497	0.6
231.07018	0.6
232.06323	0.6
232.99774	3.1
233.04710	0.7
233.08322	0.7
237.02815	1.1
238.03860	3.5
239.02269	0.6
239.06238	1.0
241.01898	0.5
241.05655	0.7
243.07060	0.7
244.09964	0.6
245.08524	1.0
246.08121	0.7
246.94508	0.9
247.03026	2.6
248.09625	0.8
249.07961	0.5
251.00755	2.7
251.05943	0.7
251.09676	0.9
256.04974	1.7
258.08051	0.6
259.03040	1.6
259.06445	2.5
260.09521	2.5
260.99527	0.7
261.08008	11.2
262.08627	0.5
262.11108	2.9
263.09506	1.3
264.09174	0.5
264.95383	0.5
274.07559	2.8
275.10681	1.6
276.09207	2.3
277.07462	1.4
278.07526	0.6
278.10559	2.6
279.09039	2.4
286.07471	1.0
287.05978	2.2
288.09055	2.0
288.95416	1.5
288.98782	1.0
289.07443	0.8
292.08597	0.8
296.08865	0.6
297.09595	0.6
303.00217	1.9
303.10126	1.0
304.08575	17.2
305.06784	2.6
306.10089	5.1
306.96439	2.7
307.06607	1.1
318.60007	0.7
319.09671	0.6
321.01227	0.8
322.09634	24.7
326.59628	1.2
327.60291	0.6
330.99829	1.0
331.05447	0.9
331.09656	2.6
332.08115	1.7
349.10745	100.0
350.09274	2.0
367.08246	0.4
367.11914	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	349.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60691	0.8
55.20938	0.8
56.96296	1.2
56.96566	18.0
57.03430	1.7
57.49408	0.7
57.98555	0.8
58.99859	1.7
61.02932	10.4
62.03244	1.0
67.03745	1.3
68.98288	1.3
69.20798	7.9
70.98103	1.7
70.99851	3.1
77.00897	2.0
82.99828	7.0
84.96037	1.1
85.02885	3.6
86.99328	2.6
89.00885	2.1
94.99860	1.2
97.01395	1.1
97.02913	2.1
98.97572	4.9
100.99159	6.5
101.00890	58.6
103.02483	1.2
104.01277	1.0
105.00352	1.3
108.97784	0.8
110.97583	7.9
113.00872	30.6
113.01667	1.8
115.02425	7.0
115.03935	1.0
116.98665	1.5
119.01927	58.7
120.01971	0.9
124.52004	0.8
125.00888	2.2
126.97100	1.9
126.98787	2.1
127.02416	2.3
127.03947	1.8
128.98622	7.9
129.00327	0.9
129.03970	1.5
131.01917	57.7
133.02547	1.6
133.03476	15.3
134.76334	0.8
135.04341	1.4
136.97089	1.1
137.00851	1.0
137.02925	2.7
139.02419	4.8
141.00345	1.1
143.01906	27.3
143.02869	1.2
144.98094	2.7
144.99815	4.0
145.03503	9.4
146.99655	5.9
147.01338	1.8
149.02971	7.6
150.00807	0.9
151.02585	1.0
154.96487	4.0
155.01909	19.4
157.03470	16.2
158.99721	1.4
159.01378	2.4
159.05070	2.6
161.01472	0.9
161.02980	17.8
161.04344	1.4
162.99147	0.9
163.03824	5.0
165.00638	1.9
167.01913	3.1
168.01823	1.7
168.98361	1.6
168.99838	33.5
169.03464	2.7
169.06859	2.9
170.96078	1.7
170.99683	1.4
171.01402	1.7
172.97614	8.2
172.99318	2.5
173.02971	31.4
175.02960	0.9
175.04514	3.7
176.93565	1.1
177.02446	3.3
180.01950	2.2
180.99789	7.1
183.01447	4.2
185.02974	15.0
186.99246	1.8
187.00883	27.9
187.02557	1.5
187.04498	1.3
187.07843	2.5
188.00969	1.1
188.52527	1.5
188.97128	2.2
189.00774	1.9
189.02376	2.3
189.03931	1.0
190.98634	14.7
191.02507	1.2
191.03993	5.9
195.01297	1.7
196.99323	24.6
197.03046	2.1
197.52995	2.0
198.02870	3.3
199.00876	13.3
199.04588	1.7
201.00566	1.5
201.02446	27.3
201.04239	1.7
202.98573	1.2
203.02571	1.0
203.04066	8.6
203.31714	0.9
205.01909	2.9
206.02054	0.9
208.99738	8.7
210.02792	1.0
211.00937	1.0
213.02467	11.9
214.98700	4.8
215.00392	65.5
216.00525	2.0
217.01964	1.8
218.03404	1.8
218.53592	3.2
219.03514	18.0
220.04016	1.2
220.06731	1.0
220.99498	1.7
221.03139	0.7
221.05052	16.7
227.00511	4.0
227.03999	2.2
227.54118	3.7
228.04004	5.0
229.01952	71.9
231.03540	9.7
232.99637	16.7
233.01564	1.8
233.05013	1.2
237.04575	1.4
238.01996	1.2
239.00539	1.0
239.06145	17.5
241.02000	12.7
243.03720	1.1
244.03282	1.0
245.01543	2.1
247.03003	100.0
248.03206	3.5
251.00731	14.1
255.03690	1.0
257.01672	1.6
259.03018	33.8
259.05649	1.9
260.03165	1.0
260.99323	2.4
261.04599	1.5
267.12112	1.0
270.04553	1.7
271.02914	2.5
277.04123	8.4
279.00339	1.3
287.06305	0.9
289.01050	1.7
289.04071	28.1
301.04071	1.1
303.05682	2.4
305.07098	1.4
307.05197	2.7
316.01953	1.2
317.03604	13.2
321.06696	3.4
321.36960	0.9
330.99823	5.4
331.05090	5.2
339.06500	0.9
349.00967	3.3
349.06161	40.3
349.12646	4.6
350.06516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35942	4.7
55.05516	30.8
57.03424	8.6
57.07080	15.1
63.39134	5.1
67.05511	41.0
68.34340	5.9
69.03458	5.9
69.07076	61.4
70.06611	6.2
71.06165	11.4
71.08629	10.2
72.08147	5.7
79.05502	23.6
79.06153	5.1
81.03430	7.3
81.07063	97.2
83.08622	35.7
85.02950	6.5
85.06568	10.4
91.05482	22.2
93.07063	32.6
95.05004	7.3
95.08009	5.6
95.08617	100.0
97.06539	12.4
97.10166	34.7
98.97591	8.7
99.08103	10.8
105.07023	18.3
107.08600	21.9
109.06534	7.7
109.10170	73.2
111.08128	6.3
111.11734	23.3
117.07023	7.4
119.08598	14.5
121.06477	7.0
121.10165	22.9
123.11729	39.7
125.13302	23.0
127.50184	4.7
129.06995	9.6
131.08589	17.6
133.10103	12.5
135.08005	6.4
137.13280	36.0
143.03485	5.4
143.08594	8.8
145.10143	8.6
147.08012	10.5
147.11778	7.6
149.13264	23.8
149.77579	5.6
151.14890	9.5
157.10162	7.0
161.09686	7.7
167.14346	7.8
187.11215	4.9
191.03952	18.3
200.04491	6.8
203.14229	5.8
211.55359	5.8
231.02922	6.4
273.18463	16.6
275.27344	10.0
293.28522	36.3
329.21042	7.3
347.18726	9.7
347.22256	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	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58985	2.2
53.03964	4.0
53.46815	2.4
54.59077	2.3
55.01867	6.7
55.05514	36.4
57.03435	6.0
57.07081	3.6
67.05507	91.3
69.03432	3.8
69.07065	29.0
70.80390	3.6
70.80720	4.9
71.05007	4.5
71.08648	12.3
71.36780	2.2
79.05499	32.6
81.07058	66.9
83.04995	7.9
83.08624	33.1
85.06548	5.7
90.96875	2.6
91.05485	26.8
93.07051	49.7
95.08611	29.8
96.86620	2.2
97.06522	11.8
97.10181	26.3
99.08091	18.4
105.07043	14.8
107.08595	29.4
109.06557	3.8
109.10160	55.6
111.08097	13.0
113.09706	3.0
117.07001	11.5
119.08593	11.6
121.10130	14.5
123.08064	3.4
123.11688	7.6
125.09629	17.2
129.07106	2.8
131.08588	9.2
133.10129	17.4
135.11726	20.5
137.09618	6.6
139.02333	2.9
139.11182	5.1
147.11687	8.3
149.13278	33.0
151.11203	17.5
155.10649	38.6
157.10280	3.1
159.11687	19.1
161.13243	12.6
163.11250	5.7
165.12817	5.4
167.14355	3.7
171.10231	5.4
173.10258	5.4
173.11754	94.1
177.12744	8.3
179.14326	8.8
189.11215	26.4
190.14322	2.6
195.13812	100.0
213.14867	52.3
241.19548	4.8
259.20609	6.3
277.21686	57.9
295.22681	29.8
329.84418	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60691	0.8
55.20938	0.8
56.96296	1.2
56.96566	18.0
57.03430	1.7
57.49408	0.7
57.98555	0.8
58.99859	1.7
61.02932	10.4
62.03244	1.0
67.03745	1.3
68.98288	1.3
69.20798	7.9
70.98103	1.7
70.99851	3.1
77.00897	2.0
82.99828	7.0
84.96037	1.1
85.02885	3.6
86.99328	2.6
89.00885	2.1
94.99860	1.2
97.01395	1.1
97.02913	2.1
98.97572	4.9
100.99159	6.5
101.00890	58.6
103.02483	1.2
104.01277	1.0
105.00352	1.3
108.97784	0.8
110.97583	7.9
113.00872	30.6
113.01667	1.8
115.02425	7.0
115.03935	1.0
116.98665	1.5
119.01927	58.7
120.01971	0.9
124.52004	0.8
125.00888	2.2
126.97100	1.9
126.98787	2.1
127.02416	2.3
127.03947	1.8
128.98622	7.9
129.00327	0.9
129.03970	1.5
131.01917	57.7
133.02547	1.6
133.03476	15.3
134.76334	0.8
135.04341	1.4
136.97089	1.1
137.00851	1.0
137.02925	2.7
139.02419	4.8
141.00345	1.1
143.01906	27.3
143.02869	1.2
144.98094	2.7
144.99815	4.0
145.03503	9.4
146.99655	5.9
147.01338	1.8
149.02971	7.6
150.00807	0.9
151.02585	1.0
154.96487	4.0
155.01909	19.4
157.03470	16.2
158.99721	1.4
159.01378	2.4
159.05070	2.6
161.01472	0.9
161.02980	17.8
161.04344	1.4
162.99147	0.9
163.03824	5.0
165.00638	1.9
167.01913	3.1
168.01823	1.7
168.98361	1.6
168.99838	33.5
169.03464	2.7
169.06859	2.9
170.96078	1.7
170.99683	1.4
171.01402	1.7
172.97614	8.2
172.99318	2.5
173.02971	31.4
175.02960	0.9
175.04514	3.7
176.93565	1.1
177.02446	3.3
180.01950	2.2
180.99789	7.1
183.01447	4.2
185.02974	15.0
186.99246	1.8
187.00883	27.9
187.02557	1.5
187.04498	1.3
187.07843	2.5
188.00969	1.1
188.52527	1.5
188.97128	2.2
189.00774	1.9
189.02376	2.3
189.03931	1.0
190.98634	14.7
191.02507	1.2
191.03993	5.9
195.01297	1.7
196.99323	24.6
197.03046	2.1
197.52995	2.0
198.02870	3.3
199.00876	13.3
199.04588	1.7
201.00566	1.5
201.02446	27.3
201.04239	1.7
202.98573	1.2
203.02571	1.0
203.04066	8.6
203.31714	0.9
205.01909	2.9
206.02054	0.9
208.99738	8.7
210.02792	1.0
211.00937	1.0
213.02467	11.9
214.98700	4.8
215.00392	65.5
216.00525	2.0
217.01964	1.8
218.03404	1.8
218.53592	3.2
219.03514	18.0
220.04016	1.2
220.06731	1.0
220.99498	1.7
221.03139	0.7
221.05052	16.7
227.00511	4.0
227.03999	2.2
227.54118	3.7
228.04004	5.0
229.01952	71.9
231.03540	9.7
232.99637	16.7
233.01564	1.8
233.05013	1.2
237.04575	1.4
238.01996	1.2
239.00539	1.0
239.06145	17.5
241.02000	12.7
243.03720	1.1
244.03282	1.0
245.01543	2.1
247.03003	100.0
248.03206	3.5
251.00731	14.1
255.03690	1.0
257.01672	1.6
259.03018	33.8
259.05649	1.9
260.03165	1.0
260.99323	2.4
261.04599	1.5
267.12112	1.0
270.04553	1.7
271.02914	2.5
277.04123	8.4
279.00339	1.3
287.06305	0.9
289.01050	1.7
289.04071	28.1
301.04071	1.1
303.05682	2.4
305.07098	1.4
307.05197	2.7
316.01953	1.2
317.03604	13.2
321.06696	3.4
321.36960	0.9
330.99823	5.4
331.05090	5.2
339.06500	0.9
349.00967	3.3
349.06161	40.3
349.12646	4.6
350.06516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.222
Annotation	(-)-Chimonanthine
Peak:m/z	Relative Intensity
53.03944	4.9
55.01871	3.2
55.05513	12.7
57.07068	3.0
57.56869	1.9
59.05014	3.2
67.05509	19.0
69.03429	8.7
69.07061	6.0
70.91035	4.3
71.04984	2.2
79.05496	22.7
81.03413	2.8
81.07062	32.7
83.04971	8.2
83.08619	2.5
85.06580	2.8
91.05489	22.1
93.07049	42.6
95.04987	17.5
95.08608	19.6
96.08979	1.8
97.06546	9.8
105.06403	2.8
105.07040	32.8
107.04978	2.7
107.08598	44.4
109.06532	15.1
109.10170	17.0
111.04408	2.5
116.06249	2.8
117.07004	4.6
119.08601	15.7
121.06519	22.1
121.10157	22.7
122.07321	2.0
123.08078	33.9
125.05997	14.9
129.07021	4.0
131.08582	22.2
133.06474	4.8
133.10114	11.9
135.08049	5.4
135.11681	2.8
137.05946	2.9
137.09627	4.1
139.07544	6.0
142.07816	3.3
143.08525	4.3
145.06479	2.3
145.10168	10.8
147.07979	3.0
147.11714	5.0
149.09631	38.2
150.82492	1.9
151.07561	84.5
155.08586	2.2
156.09409	2.3
157.10110	6.1
158.10785	2.3
159.08093	5.9
159.11728	8.4
161.09605	4.3
163.11211	3.9
165.09113	6.6
167.07080	4.1
167.10693	26.1
169.10175	4.0
171.11708	8.4
173.09618	4.1
173.13283	5.2
175.11200	3.8
177.09122	6.2
179.10771	3.3
181.08629	2.5
184.45250	2.4
189.12744	29.7
191.10741	3.2
191.14392	4.9
195.11795	3.2
195.13884	3.2
197.13289	3.5
199.14888	2.3
201.12773	3.8
207.13823	47.1
209.13365	2.1
215.14406	4.8
217.12192	2.3
221.15372	3.0
227.14285	2.2
229.07484	2.4
233.15454	6.3
237.14807	13.9
251.18120	2.5
255.13849	3.5
257.38345	2.3
273.14822	9.9
287.05463	2.4
291.15811	4.8
311.20206	2.4
329.21118	13.7
347.18253	25.3
347.22183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	(-)-Chimonanthine
Peak:m/z	Relative Intensity
53.03960	4.7
55.01863	4.1
55.05502	14.8
57.07067	6.1
59.04983	4.5
67.05509	28.4
69.03422	10.5
69.07069	8.7
79.05498	22.4
81.07060	35.0
82.00860	3.8
83.04977	10.4
83.08618	4.2
85.06552	4.2
91.05499	26.7
93.07052	59.7
94.07397	3.4
95.04975	15.1
95.08605	14.7
97.06524	12.6
105.07031	32.2
107.08601	39.7
109.06559	16.5
109.10155	19.1
116.06240	4.0
117.07051	5.4
119.08586	19.2
121.06496	21.1
121.10139	32.6
123.04382	3.6
123.08084	34.4
125.06011	18.7
129.07019	5.0
131.08572	20.7
133.06509	7.4
133.10129	11.1
135.08083	9.0
135.11670	5.8
137.05916	4.1
137.09607	5.6
139.07507	4.6
141.06938	3.7
143.08572	7.1
145.10143	11.9
147.08057	6.1
147.11708	7.0
149.09634	34.6
151.07558	95.2
157.10136	9.1
159.11716	8.4
161.09656	6.5
165.09132	7.0
167.06976	6.0
167.10677	24.4
171.11658	6.4
173.13292	6.6
175.11172	6.4
177.09137	9.7
183.11694	3.8
185.13229	3.9
189.12732	30.2
195.11757	4.9
199.14874	5.1
205.12256	4.0
207.13788	41.0
215.14368	5.4
217.15881	3.6
221.15405	5.7
229.12045	3.5
229.33711	3.2
233.15381	4.8
237.14832	10.8
273.14914	10.0
291.15942	5.1
311.19962	5.6
329.21112	18.3
347.22195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.168
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
54.95414	0.3
55.01866	0.6
55.05496	0.5
69.03397	0.3
70.06590	0.6
71.04983	0.3
71.52109	0.4
72.08163	0.5
79.05482	0.7
81.03345	0.3
83.28701	0.3
84.38219	0.3
86.09708	0.4
91.05461	0.3
93.07011	0.7
95.08583	0.3
98.97588	0.6
105.07014	0.4
109.10178	0.4
147.07951	0.3
178.04909	0.4
185.11555	1.7
187.04912	0.4
199.08572	0.7
201.06561	0.5
213.06561	1.0
213.10185	1.0
227.08147	1.6
227.11922	0.5
229.09654	0.9
231.02859	0.8
231.07462	0.5
237.10260	0.5
238.08749	0.3
239.08134	0.7
241.09709	1.3
241.41403	0.4
251.07924	0.5
255.07733	2.4
255.11269	1.1
265.09753	0.8
269.09244	1.4
273.08588	0.7
283.10745	4.4
287.10120	0.5
293.09149	0.8
301.11749	1.1
311.10297	8.7
329.11340	12.0
332.87451	0.4
347.12338	22.4
347.16666	100.0
348.17053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01856	1.4
55.05513	5.4
57.03428	2.3
57.07061	1.1
67.05504	5.2
69.03429	2.3
69.07077	9.7
69.47757	4.5
70.07420	0.7
71.05002	3.0
75.04491	1.0
79.05503	9.4
81.03439	1.4
81.07059	14.1
83.04989	3.0
83.08614	4.7
84.08105	0.7
85.02929	0.8
85.06547	100.0
89.02367	0.6
91.05487	3.8
93.07048	31.8
95.04984	1.8
95.08613	16.3
97.06526	11.0
97.10191	0.7
99.04469	0.9
99.08106	5.7
105.07052	4.3
106.74603	0.7
107.08596	15.9
109.10147	4.2
109.90228	0.7
111.08093	2.2
111.11737	1.2
114.75846	0.6
117.07008	1.3
119.08582	8.0
121.06513	1.9
121.10149	52.4
123.08034	1.5
123.11692	0.9
125.06081	0.7
125.09648	1.6
129.05479	1.8
129.16684	0.7
131.08627	1.3
131.48784	0.7
133.10178	1.6
135.11710	1.8
136.06187	1.9
137.09572	0.7
139.11180	14.9
144.09346	1.1
147.11708	1.2
149.13263	25.5
157.12241	5.6
159.11716	6.6
165.12828	0.8
167.14313	7.4
177.12753	19.5
195.13817	25.4
196.14404	0.8
213.14842	26.0
300.11948	0.6
311.15100	1.1
329.15668	9.4
347.19147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.8
55.05518	24.1
57.03430	4.7
57.07088	3.8
60.04520	11.9
67.05494	14.7
69.03422	3.8
69.07072	18.6
69.07383	3.3
69.77797	16.9
70.06586	10.8
71.05002	7.7
72.08144	6.4
73.02902	4.4
79.05513	24.5
80.05020	13.6
81.03410	13.5
81.07064	25.9
83.04965	5.4
83.08610	13.9
84.04526	5.5
84.08131	4.6
85.02902	4.2
85.06554	100.0
86.09705	6.8
88.04012	3.2
91.05485	11.2
93.07052	44.0
95.04943	4.3
95.06100	11.3
95.08630	28.1
97.02882	5.6
97.06534	28.0
98.20803	3.7
99.08084	9.2
103.05450	4.5
105.07061	14.9
107.08624	20.9
108.04448	4.0
109.10173	9.5
113.06093	3.0
114.03742	4.2
116.03349	9.4
117.07018	5.0
118.01247	9.1
119.08610	16.6
120.08077	6.6
121.06490	6.5
121.10162	65.7
125.09642	4.3
129.10277	5.1
131.08603	5.1
133.10162	6.9
136.06203	9.8
137.05965	3.7
137.09605	3.3
139.11191	18.9
142.03265	19.1
143.03517	10.4
144.02805	56.8
144.03838	6.7
145.10114	5.4
149.13290	29.6
151.03893	3.9
157.10121	4.0
157.12236	6.4
159.08145	4.0
159.11697	13.0
161.08031	6.4
163.03922	7.3
164.01810	10.3
167.14314	11.0
171.03033	3.3
171.08098	4.5
172.02296	20.9
177.12794	25.1
186.10170	3.5
189.09082	7.9
195.13857	25.3
213.14851	28.1
229.04530	3.9
231.02943	7.3
243.11320	4.2
247.05635	14.2
259.09723	9.5
274.13724	5.2
303.17816	20.7
304.20169	6.6
329.11063	4.1
329.15707	4.6
329.18106	3.8
347.11563	6.8
347.19406	20.1
347.26218	7.2
355.12991	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	346.2339
Annotation	Ile Ile Thr
Peak:m/z	Relative Intensity
52.63215	0.3
54.03496	0.3
55.01877	0.5
55.05504	0.8
56.05035	1.7
57.03444	0.3
58.06599	0.3
60.04536	0.4
61.01167	0.3
61.02944	0.4
64.59952	0.3
67.05496	0.3
69.03434	0.8
69.07077	4.5
70.06596	3.9
70.92052	0.6
72.08157	5.2
74.06107	1.3
74.06448	0.3
79.05498	0.4
83.54585	0.3
84.04520	1.4
84.08157	2.7
85.02908	1.8
86.06087	0.4
86.09712	100.0
87.10038	1.0
91.05482	0.9
97.02871	0.9
98.06104	0.3
98.97561	0.3
102.05548	1.2
104.05302	0.3
106.19834	0.3
107.04971	1.1
109.02959	0.3
110.07178	1.3
114.09151	0.6
116.07112	2.5
119.04902	0.3
120.06584	2.1
120.08009	0.6
127.03940	0.6
129.10260	0.9
130.05032	0.8
137.05989	2.3
138.06354	1.8
140.07114	0.4
141.04077	0.3
142.08659	0.3
145.04985	0.8
147.04436	1.0
148.04822	0.4
149.06013	0.7
152.19211	0.3
158.10043	0.5
162.07637	0.4
163.04018	0.3
165.05646	0.4
166.09624	0.4
180.08693	0.6
185.37706	0.3
187.10815	0.4
198.30089	0.3
199.18076	32.3
201.10709	0.3
203.12184	1.1
208.30737	0.3
215.10478	0.4
215.13960	2.2
227.17561	14.9
233.14928	2.0
268.10803	0.3
293.42041	0.3
300.12494	0.9
321.04651	0.3
328.22327	2.4
346.22565	0.8
347.13000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64320	0.4
52.93613	0.4
55.01876	3.0
55.05507	0.8
67.05495	0.5
69.07079	0.6
69.49387	2.3
70.06599	0.8
72.08166	0.5
79.05502	0.9
79.13383	0.4
81.07078	0.5
83.04990	0.8
84.04524	0.5
84.08154	0.6
86.09677	1.0
91.05513	0.6
93.07059	0.4
93.54403	0.4
94.58735	0.4
95.08616	0.5
97.02925	0.5
97.06557	0.7
98.21580	0.8
104.07314	0.4
108.04499	0.6
109.10213	0.8
129.06963	0.8
134.05980	0.5
137.05963	0.6
138.05499	1.0
140.07065	0.5
148.07500	0.5
151.11131	0.5
152.03462	1.3
154.06427	0.4
156.08151	0.7
160.03957	1.3
161.04767	0.8
162.05476	0.8
170.08325	0.5
171.09206	1.2
172.07602	0.6
176.07141	1.1
178.05008	2.8
182.09773	0.5
183.09285	0.8
184.07712	0.6
185.07141	1.6
185.10786	0.6
186.09262	0.8
187.05022	2.2
195.09288	0.6
196.07617	0.4
197.07140	1.0
199.08670	5.0
199.12425	0.6
200.07011	0.5
201.06569	3.4
201.10318	1.1
205.06114	0.6
209.10846	0.8
210.09276	1.1
211.08771	1.8
213.06595	5.6
213.10172	3.9
214.08719	0.7
215.08286	0.5
219.07536	0.5
222.07745	0.7
223.08739	1.0
224.07140	0.5
225.06764	0.8
225.10362	0.5
227.08202	7.6
227.11778	2.4
228.06638	0.7
229.09685	3.0
231.02933	1.0
231.07730	3.2
233.05453	0.4
237.10226	2.3
238.08710	2.2
239.08206	1.5
239.11931	1.1
240.10228	0.7
241.09735	5.1
243.07585	0.6
243.11342	1.0
245.09358	1.2
250.07498	0.7
251.08264	0.9
255.07739	9.0
255.11349	6.1
257.09271	2.2
257.12930	1.2
259.07364	0.7
259.10913	0.7
265.09747	3.7
266.08203	1.3
267.07748	2.5
267.11423	0.5
268.08411	0.6
269.09195	7.1
270.09845	0.5
273.08835	3.9
273.12399	1.2
275.10416	0.6
275.13681	0.4
283.07513	0.9
283.10788	18.0
284.09119	0.6
285.12283	0.5
287.10294	2.3
293.09195	7.1
301.11777	3.5
310.33716	0.4
311.10284	35.6
312.10876	0.8
319.13016	1.9
326.95755	0.5
327.31561	0.5
329.11340	55.2
330.11734	0.5
347.12488	100.0
347.16791	18.3
348.12848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1241
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03973	0.6
54.97250	0.4
55.01876	4.3
55.05539	1.7
67.05538	1.4
69.03455	0.9
69.07107	0.7
69.38316	1.3
69.38742	2.4
70.06654	0.6
72.83411	0.4
73.10619	0.4
74.21204	0.5
79.05541	1.3
79.76594	0.4
81.03459	0.6
81.07097	1.5
83.08636	0.6
84.08193	0.4
85.02929	0.7
86.09746	0.7
91.05526	1.3
93.07101	2.1
95.05023	0.6
95.08638	0.9
97.02928	0.5
97.06572	1.6
98.06065	0.4
98.97625	0.7
99.04475	0.5
105.07116	1.5
106.06576	0.6
107.08675	1.3
108.04527	1.2
109.10213	1.6
117.07092	0.7
119.08619	0.9
120.08167	0.6
121.06537	0.5
121.10209	1.3
123.08078	0.5
125.09705	0.8
128.06245	0.7
129.07074	1.0
131.08627	0.7
133.10234	0.7
134.06078	0.7
135.11784	0.8
138.05577	1.3
143.08607	1.1
144.02847	1.2
145.01682	0.6
145.10178	1.5
147.08061	0.5
148.03976	0.6
148.07672	0.7
152.03479	1.3
156.08133	0.7
157.10204	0.9
158.06110	0.7
159.05632	0.5
159.11726	0.8
160.03979	1.3
161.04764	0.9
161.06068	0.7
162.05521	0.8
164.01830	0.5
167.10750	0.5
168.06761	0.9
168.08186	1.3
169.07668	0.6
169.08992	0.5
170.09671	1.0
171.09247	0.6
172.02318	0.7
172.07655	0.8
173.09563	0.5
173.13316	0.9
176.07050	1.0
178.05031	2.9
178.40405	0.4
182.09703	0.9
183.09248	1.0
184.06258	0.6
184.07686	1.1
185.07199	2.3
185.10753	0.9
186.09233	1.3
187.05020	2.5
187.11250	1.4
189.09138	0.6
193.12473	0.6
195.09290	0.7
196.07729	0.8
197.07121	1.1
198.07867	1.0
199.08688	5.8
200.07205	0.7
201.06586	4.0
201.10345	1.4
202.08725	0.6
205.06186	0.7
209.07162	0.6
209.10829	1.0
210.09229	1.7
211.08617	2.4
212.07288	0.5
212.09061	0.5
212.10869	0.8
213.06705	6.5
213.10217	5.6
214.08727	0.7
215.11896	1.1
223.08740	0.9
225.06659	0.9
227.04678	0.7
227.08133	8.6
227.11751	4.4
228.06779	0.6
228.10350	0.8
229.09760	3.9
231.02901	1.2
231.07623	3.8
237.06665	0.8
237.10262	2.5
238.08670	2.5
239.08282	2.1
239.11906	1.1
240.10329	0.5
241.06271	0.9
241.09712	6.8
243.07841	0.9
243.11266	0.7
245.09329	1.6
250.07434	1.1
251.08228	0.9
255.07712	11.3
255.11353	8.2
256.09912	0.6
257.09235	3.0
257.12872	1.5
259.07141	1.6
259.09811	0.8
265.09689	4.7
266.08170	1.1
267.07712	3.2
267.11188	0.6
268.09940	0.5
269.09189	9.4
269.11865	0.8
273.08737	5.9
273.11871	0.8
275.10263	0.9
275.13718	0.5
283.07581	0.8
283.10773	21.7
287.10214	3.7
293.09241	6.8
293.18942	0.8
301.11795	4.6
303.13495	0.5
303.17850	1.0
311.10275	44.2
311.20120	1.7
312.10645	0.6
319.13318	2.5
329.11325	72.0
329.21191	1.4
330.11642	1.1
347.12375	100.0
348.12775	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1875
Annotation	Europine N-oxide
Peak:m/z	Relative Intensity
53.03939	1.1
55.01867	0.7
55.05514	4.3
56.05021	0.9
56.98092	0.6
57.03423	0.8
59.05017	0.6
60.04532	10.7
65.03916	0.9
67.05508	5.5
69.03414	2.2
69.07064	4.1
70.06572	1.9
71.05013	2.7
71.52166	0.9
72.08147	1.7
74.06079	1.1
75.09716	0.5
79.05491	5.0
79.58786	0.5
81.03422	13.6
81.07064	7.1
83.04994	3.3
83.08630	4.2
84.04500	0.6
84.08121	0.6
85.02892	1.0
85.06556	5.9
86.09687	2.0
87.04472	1.1
88.55563	0.5
91.05478	5.5
93.07053	5.1
94.06560	0.7
95.04962	4.1
95.08611	3.9
97.02892	1.5
97.06504	2.3
97.10139	0.7
98.06034	1.5
98.97603	5.0
99.04469	3.5
99.08102	0.8
103.05516	0.8
105.00082	1.2
105.07047	4.3
107.04932	2.0
107.08606	4.2
109.06514	1.6
109.10152	10.4
110.06073	0.6
110.10466	1.1
111.08088	0.7
111.11681	0.7
112.99082	1.2
115.49123	0.6
116.07095	0.9
116.98597	1.2
119.08572	4.1
120.08078	1.0
121.06471	0.7
121.10135	5.1
122.03593	0.7
123.08079	3.4
123.11701	0.7
129.06996	0.6
131.00151	1.1
131.04903	0.9
131.08563	2.2
133.06458	0.9
133.10144	1.9
135.08055	0.9
136.06195	55.2
137.05966	5.9
137.09618	1.0
138.06314	3.0
139.11136	1.0
147.08006	0.8
147.11694	2.9
149.09610	2.4
149.13264	1.1
151.88087	0.6
157.10109	1.0
158.99677	1.3
162.99232	0.6
163.07542	1.5
164.07938	1.4
165.12721	0.9
167.10606	1.4
173.01219	1.6
173.12880	0.7
175.11189	1.6
177.00705	0.9
177.02089	1.0
177.12773	0.8
183.13744	0.9
183.28798	0.6
187.10791	1.0
191.02269	1.6
193.12265	2.7
194.04794	1.9
195.13876	0.9
198.07727	2.5
201.00690	0.6
202.98639	0.6
207.13838	0.8
211.13377	1.0
213.14993	0.8
219.01807	0.9
225.14847	6.5
244.99725	1.7
273.13577	1.4
294.96555	0.6
300.18240	1.3
302.17401	6.8
310.13199	1.3
310.16592	1.6
328.17715	72.2
328.24176	1.8
329.18185	0.9
346.18710	100.0
346.25830	6.7
347.19110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1974
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
55.05511	4.6
68.04984	0.5
70.02949	1.6
70.66009	1.5
72.08158	55.5
77.40063	0.5
82.06574	4.7
85.03999	1.2
86.09710	15.7
88.03991	7.8
94.06550	0.7
96.08127	3.6
98.02407	3.3
98.09688	1.0
99.09232	1.8
99.75814	0.5
100.07645	0.7
124.07578	2.4
127.08679	15.3
128.07121	2.9
132.10211	7.0
141.10202	1.4
142.08636	23.7
152.07059	1.3
165.83028	0.5
169.09738	5.9
170.08112	2.5
187.10785	100.0
197.09094	0.6
201.12358	3.3
215.10277	28.8
229.11838	1.2
231.16954	1.2
263.23965	0.5
282.18127	0.6
326.80194	0.6
328.18579	0.6
368.75146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40143	2.0
51.15357	2.1
52.94638	1.8
55.01861	6.1
55.05517	10.9
56.05020	4.9
56.96307	3.9
56.96566	58.3
57.03432	10.0
61.02932	12.1
67.05494	5.8
68.60792	1.9
69.03433	30.7
69.07047	4.1
70.06261	2.2
70.06586	14.9
70.98114	7.8
71.04979	5.1
71.51379	2.7
71.95248	3.1
72.08158	100.0
73.02934	13.6
74.02425	4.0
81.03403	9.2
84.04489	6.8
84.08144	74.7
84.94341	1.9
84.96023	9.0
85.02909	53.2
85.08469	3.0
86.09695	12.6
87.04454	8.3
88.99153	3.9
91.03975	5.4
91.05466	2.7
93.86321	2.1
95.04994	3.4
97.02898	31.3
98.97589	77.7
99.04455	7.4
99.05502	2.0
100.99141	2.5
101.00864	4.9
102.05570	3.1
105.08814	2.1
108.08126	33.4
109.02873	6.2
110.01278	3.2
110.97567	24.7
112.08623	2.1
112.99166	4.6
115.00565	2.3
115.03898	3.3
116.07102	2.5
116.98624	27.5
117.01858	8.5
118.01037	3.6
119.01867	7.9
119.04922	3.0
119.44115	2.0
119.52148	2.5
121.06495	3.5
124.07561	2.5
124.99066	3.7
127.01490	6.4
127.03938	21.9
128.02318	2.1
128.98611	22.9
129.10234	8.7
130.04985	5.0
130.08652	24.8
130.93311	3.5
131.00154	8.1
131.01881	4.8
132.02547	2.3
133.01521	3.5
133.06480	2.0
134.06078	3.8
134.99634	5.1
136.07593	17.4
137.01688	2.4
137.02850	2.1
137.05952	3.6
139.55669	7.8
140.00288	2.3
140.98587	8.2
143.00201	12.0
143.01907	12.4
144.98048	3.9
144.99754	2.7
145.03358	3.2
145.04948	9.3
146.99689	11.4
147.01273	2.5
147.04411	9.9
147.07668	7.2
148.03874	4.0
148.06018	8.8
148.07648	2.3
149.01192	6.8
152.05769	3.6
152.07050	21.3
153.55420	7.5
153.98776	2.1
154.00198	4.9
154.96495	2.5
155.04692	4.2
156.03598	11.3
156.98134	2.2
157.03490	2.4
158.99649	28.1
159.03168	2.5
159.08119	2.1
160.00131	4.0
161.01173	7.8
161.02942	7.4
161.05952	5.2
161.55193	16.3
162.55975	16.3
162.99207	3.3
163.03893	7.4
163.06119	3.3
165.00710	2.2
166.00267	2.8
166.05058	16.1
166.08615	2.4
167.01021	6.3
170.99683	12.7
171.14915	31.3
172.94360	6.5
172.97612	3.6
173.01225	4.7
174.04443	2.8
174.55225	3.5
174.99104	4.8
175.02827	3.2
175.04442	3.7
175.05730	40.1
175.54808	2.9
177.00732	23.2
178.01039	3.9
182.99696	9.4
184.04872	3.0
184.06218	37.6
184.09648	3.0
185.09473	7.1
185.16440	3.6
186.04370	7.2
186.12784	4.1
187.02660	3.1
189.00671	15.3
190.95398	6.3
190.98610	4.9
191.02220	4.8
191.03841	6.3
193.00233	2.6
195.50858	2.9
195.56982	2.4
196.01372	12.5
196.02863	2.9
199.14471	20.7
200.04315	2.9
201.00684	20.6
202.12288	8.0
203.04034	4.0
204.05435	4.0
205.00148	5.5
205.01819	8.0
213.00668	2.6
214.08104	3.3
214.95398	3.5
216.02882	2.2
216.96872	2.5
217.00220	4.6
218.00630	2.6
219.01741	22.3
219.14919	4.4
220.06876	9.1
220.13356	2.6
223.01376	2.4
225.57527	9.4
226.02240	5.8
228.05746	27.9
228.56003	2.9
230.98238	3.1
231.01720	2.7
232.96428	11.7
232.99631	3.0
233.57162	2.2
234.58066	16.0
235.01137	5.2
235.08105	6.4
237.02821	12.1
237.06274	2.7
238.03925	4.0
241.10493	2.8
242.57822	5.9
243.01764	6.1
245.05130	4.3
247.12907	6.5
250.97545	2.8
255.04060	4.0
255.57803	4.0
256.08240	11.5
256.57349	2.7
257.04883	4.1
258.06552	2.7
261.02811	26.1
261.07983	3.6
265.09000	45.3
265.15485	20.2
265.59021	6.0
273.02942	2.9
279.03937	11.2
280.04248	2.6
283.11520	4.6
291.04004	4.4
304.08694	3.2
307.06631	2.1
311.16037	23.2
314.12378	14.9
320.54645	2.7
321.04947	9.3
322.09619	6.1
329.12314	3.5
346.11261	6.6
346.14926	30.5
346.22208	5.0
349.10904	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.82522	0.9
55.01862	2.7
55.05510	2.0
56.05027	0.9
57.03446	5.0
57.56822	1.0
60.04519	2.0
61.02932	10.6
67.18935	0.9
69.03435	20.0
69.07055	4.7
70.06589	3.3
70.63085	1.4
70.63403	2.2
71.04993	2.6
72.08162	13.0
73.02904	3.7
73.08498	1.8
79.05486	4.0
81.03420	6.8
81.07037	1.1
83.04997	1.0
83.08629	2.0
84.04514	10.0
84.08144	1.3
85.02914	100.0
86.09714	39.6
87.04475	3.5
88.03974	3.0
88.11270	3.0
91.03958	6.1
91.05486	1.9
92.02963	0.9
93.07035	2.2
94.26059	1.1
95.08590	1.6
96.08099	1.7
97.02299	1.6
97.02902	25.9
98.02432	1.6
98.97582	1.3
99.04486	5.4
102.05541	2.8
103.05473	10.7
104.07108	4.5
105.07027	1.6
107.04971	3.5
107.08716	1.1
109.02883	7.4
109.10151	1.9
116.07069	1.3
121.06516	81.7
127.03931	21.0
130.05000	1.6
131.04927	3.0
139.07549	3.4
141.10231	4.1
141.33815	0.9
144.06535	4.1
145.04976	43.8
149.06012	5.2
152.06998	1.3
156.10167	2.5
157.13354	5.5
162.07692	9.6
163.06050	13.1
167.07054	12.8
169.76256	0.9
180.08733	1.6
184.09705	2.0
185.12993	2.2
186.12350	1.5
187.10680	1.2
187.12715	2.1
197.12973	2.4
199.18027	2.4
201.12360	16.6
201.14191	1.2
215.13956	2.1
217.15456	4.0
225.14850	2.0
229.11836	4.6
247.13005	1.0
257.18079	1.0
299.48947	1.2
316.21338	1.4
329.12256	1.8
346.22211	3.7
346.25992	3.8
349.14172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80879	5.1
53.03954	5.5
55.05520	30.0
57.43727	5.6
67.05512	80.5
69.03437	6.4
69.07074	47.3
69.23035	48.1
71.04995	21.8
72.49823	4.3
73.73424	4.6
79.05502	53.1
81.03410	7.6
81.07063	100.0
83.04984	8.3
83.08626	17.0
85.06544	17.8
91.05477	36.1
93.07056	66.5
95.04964	19.2
95.08611	79.4
97.06543	17.2
97.10172	19.5
99.08080	11.7
105.07036	29.1
107.08595	49.9
109.06533	8.2
109.10187	32.9
111.08096	15.3
117.07050	13.7
119.08587	26.4
121.10150	80.6
123.11728	14.8
125.09636	17.4
125.23761	4.9
131.08582	12.4
133.10156	18.3
135.11696	52.5
137.05978	7.6
139.11168	12.6
145.10114	19.7
147.11699	17.3
149.09633	8.1
149.13266	17.4
157.10240	6.2
159.11736	11.9
171.11720	7.6
173.11761	11.2
173.13213	6.4
177.12698	6.6
203.12790	6.1
241.19481	6.8
259.20639	16.2
270.73914	5.8
277.21625	49.2
291.23318	13.1
295.22775	14.8
297.03842	5.4
309.24350	15.4
315.05026	19.9
330.07413	14.5
345.09763	54.4
345.20532	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	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.05515	17.4
57.03421	2.0
57.07075	8.9
59.05013	1.9
60.74429	2.2
67.05505	26.2
69.03423	4.7
69.07072	44.2
69.81008	3.6
69.81400	4.7
70.06565	1.7
71.04984	2.4
71.08654	3.2
72.70606	1.6
79.05499	16.2
81.03420	3.8
81.07059	100.0
83.04965	2.2
83.08611	16.9
85.06549	8.7
91.05492	10.2
93.07051	29.2
95.04968	2.7
95.08614	69.2
97.02917	2.4
97.06497	10.1
97.10201	9.2
97.10723	1.8
97.90692	1.4
98.20726	2.0
98.95229	1.7
98.97553	2.2
99.08115	8.0
105.07037	9.2
107.04960	2.3
107.08613	30.1
109.09475	3.3
109.10163	44.6
111.08114	10.2
111.11716	11.8
113.05982	2.6
117.07045	2.4
119.08569	8.9
121.10139	17.8
123.04383	2.1
123.08094	3.6
123.11720	38.4
125.13259	2.4
127.11185	3.5
128.06137	2.1
131.04895	1.9
131.08586	2.5
133.10176	4.1
135.11681	14.9
137.06023	3.1
137.13255	21.0
145.10127	4.0
147.11679	5.0
148.08835	2.8
149.13268	25.7
151.11197	1.5
151.14859	6.7
153.12775	10.3
155.14334	3.7
157.10040	1.6
161.13269	3.3
163.03929	3.4
163.14825	9.0
165.16443	3.3
167.07039	4.7
167.14374	2.8
173.15399	2.1
175.14816	2.0
177.16405	7.7
185.09497	2.3
189.16449	2.1
191.17928	3.8
217.19449	2.4
227.60153	1.8
261.25931	3.3
273.25864	5.5
279.26822	5.7
284.06985	1.8
291.26804	18.3
309.27896	9.4
315.04926	4.6
319.37399	1.8
345.09695	5.6
345.13397	3.0
345.20581	3.2
345.24454	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	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05519	10.4
57.03430	2.2
57.07064	4.2
67.05507	18.5
69.03415	6.4
69.07065	29.2
69.74582	11.2
70.46136	2.1
71.04982	2.5
75.32851	2.2
79.05495	10.3
81.03409	4.8
81.06593	4.5
81.07056	67.9
83.08629	12.1
85.06538	5.7
91.05481	8.4
93.07043	21.0
95.04993	4.0
95.08611	34.7
97.06524	8.1
97.10160	5.9
98.97572	5.2
99.08110	2.8
100.82368	2.4
105.07036	8.1
107.08595	21.2
108.02143	3.2
109.06562	3.0
109.10160	32.9
111.08075	4.7
111.11722	10.0
119.08571	9.3
121.10135	10.8
123.11707	47.2
125.13261	3.8
133.10101	4.6
133.70039	2.3
135.11700	12.4
136.01550	2.4
137.13237	12.6
139.11127	2.8
145.10181	3.0
147.11731	4.7
148.05150	6.6
149.05919	2.9
149.13283	12.5
151.07556	2.9
151.14798	4.6
153.12730	12.1
154.02623	2.6
155.14325	9.2
159.11699	2.7
163.14836	11.0
165.12682	2.6
167.14359	3.0
175.14772	2.5
177.16400	7.0
185.05942	3.2
191.17950	2.7
217.19472	7.8
241.04886	2.5
253.09766	4.9
253.12329	2.1
253.15479	2.4
256.07410	4.8
269.04465	7.9
273.25790	11.5
279.26669	2.8
284.06866	23.9
291.26785	20.0
295.10645	2.9
297.03940	4.1
309.27963	3.8
312.06311	26.8
315.04980	6.3
330.07358	16.5
345.09702	100.0
345.13376	4.1
345.20679	6.5
346.09937	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.9
58.99587	5.3
67.05517	1.1
68.05023	1.3
69.03438	0.7
69.07043	0.5
70.06615	1.0
70.06986	2.5
71.04993	0.5
73.01116	0.6
76.03996	1.6
79.05506	1.4
80.05021	12.6
81.03411	0.7
81.07046	3.4
83.08629	12.6
83.11158	0.5
84.04507	3.9
86.06070	1.3
86.99057	4.3
87.02751	0.6
88.02192	0.6
91.05520	0.8
93.07037	1.5
95.08633	0.7
96.04482	1.0
97.02885	1.0
98.09737	0.6
98.21422	0.7
105.07031	0.9
108.04486	2.9
109.10204	0.6
114.03763	14.1
116.01689	12.9
117.09522	0.6
121.10149	1.1
125.00547	0.8
127.05740	0.8
133.02859	2.2
136.03954	3.1
137.05977	1.2
139.05753	1.4
142.03230	100.0
144.01143	5.4
144.04829	0.8
159.08417	11.8
162.02208	17.2
170.02725	40.4
193.06210	1.3
199.05392	6.5
211.07240	1.1
224.11150	0.6
227.04904	5.0
240.10593	0.8
242.12129	3.9
245.05933	25.1
252.10577	0.9
262.11115	7.8
270.11563	2.8
295.07095	0.6
313.10983	0.6
327.13730	1.7
345.14618	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	345.2061
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
53.03938	1.4
55.01862	2.9
55.05514	13.0
57.03427	1.0
58.99586	3.5
65.03929	1.0
67.05508	6.9
69.03415	3.5
69.07053	3.5
70.06588	1.3
70.76831	2.5
71.04981	2.8
72.08147	2.4
79.05491	10.0
80.05019	6.6
81.03400	1.8
81.05742	0.8
81.07062	10.0
83.04971	2.4
83.08630	7.9
84.04495	2.5
84.08110	0.9
85.02882	1.0
86.06071	1.1
86.09698	2.7
86.99060	1.8
88.02255	1.0
91.05486	12.6
92.13894	1.0
93.07042	13.7
95.04962	18.5
95.08617	5.7
96.04507	1.3
97.06509	2.9
99.04443	1.7
105.04521	0.9
105.07032	17.5
107.04961	6.1
107.08607	10.8
109.06502	6.3
109.10168	6.4
111.04464	1.1
114.03754	7.2
115.05480	2.1
116.01669	9.2
117.07015	5.6
119.04951	1.8
119.08583	18.3
120.08114	0.9
121.06500	4.1
121.10153	9.3
123.08055	2.8
123.11736	0.9
125.09618	2.8
128.06247	2.6
129.06972	4.8
131.04927	2.7
131.08566	11.0
133.06482	2.7
133.10139	17.5
135.04407	12.4
135.08041	6.6
135.11700	5.2
137.05984	9.2
137.09604	4.2
140.07045	1.4
141.07010	2.9
142.03224	55.9
142.07768	2.9
143.08563	10.5
144.01132	3.9
144.09274	1.3
145.06470	5.8
145.10133	8.6
147.08041	7.3
147.11639	2.7
149.09619	2.1
151.07460	1.1
153.06955	0.9
153.09169	1.1
155.07045	2.7
155.08542	5.2
156.09291	1.8
157.06496	2.3
157.10100	9.2
158.02756	1.2
159.08226	9.7
159.11705	6.3
161.09598	6.6
162.02219	9.7
163.07576	4.5
163.11192	1.1
165.06972	2.2
165.09100	1.3
166.07745	1.1
167.08585	3.4
168.09401	1.4
169.10165	7.1
170.02722	20.7
170.10895	1.3
171.08058	10.6
171.11678	9.8
172.03951	1.5
173.09708	5.9
173.10963	1.3
173.13249	7.5
175.11151	1.2
177.09111	1.8
178.07790	1.3
179.08542	4.9
180.09293	1.0
181.10136	7.0
182.10934	1.7
183.08092	3.3
183.11700	5.8
185.09671	8.5
185.13231	2.1
186.16907	1.0
187.07576	2.3
187.11156	2.6
189.09113	10.5
189.12762	1.3
192.09354	2.0
193.10190	4.4
194.10893	2.4
195.11717	4.3
196.12463	1.2
197.09651	5.1
197.13324	4.6
198.10333	1.4
199.05391	3.9
199.11197	6.0
199.14792	2.9
201.09088	1.6
201.12750	2.7
203.10658	4.3
204.06569	1.9
205.10159	2.2
206.08154	1.1
207.11855	4.4
208.12505	1.6
209.09618	2.7
209.13268	6.8
210.10414	1.6
211.11201	4.9
211.14813	3.0
212.12016	3.1
213.12758	3.7
215.10684	2.3
217.12227	3.1
218.10968	1.2
219.11823	2.2
220.12372	1.3
221.09721	2.2
221.13295	2.9
222.10475	1.2
223.11180	4.0
223.14754	3.0
225.12846	6.0
225.16422	2.5
227.04829	2.8
227.14299	60.5
228.14714	1.4
229.15874	1.7
233.13295	2.6
234.14005	1.6
235.11279	1.7
235.14767	2.0
236.11966	2.3
237.12781	3.1
238.13535	1.5
239.10628	1.9
239.14348	2.5
239.17868	1.8
242.12132	1.4
245.05937	11.7
245.15366	4.5
247.11029	1.3
249.16411	4.3
251.14316	14.2
252.15033	1.7
253.12262	1.4
253.15945	4.4
261.12787	1.6
262.11115	4.3
263.14410	2.2
263.17920	5.0
265.15900	3.1
267.17435	20.3
269.15338	13.5
273.16486	1.4
281.15811	1.7
281.19040	6.7
285.18518	3.0
287.16397	1.1
291.17477	10.5
294.16241	1.8
299.20084	4.4
309.18484	71.1
310.18530	1.5
327.19531	37.9
345.20621	100.0
346.20956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76187	0.5
53.03948	1.5
55.01868	0.8
55.05515	16.7
58.99592	4.1
60.54020	0.6
61.01127	0.7
65.15846	0.6
67.05500	1.9
68.05027	1.2
69.03417	1.8
69.07072	0.9
69.44447	4.6
70.06623	1.3
70.48203	0.6
71.05007	0.9
76.04012	0.7
79.05495	1.8
80.05021	13.1
81.03424	1.1
81.07053	3.4
83.08624	11.2
84.04500	3.4
86.06065	1.6
86.09711	0.8
86.99065	3.8
91.05497	1.3
93.07024	1.6
95.04959	0.7
95.08601	1.5
96.04487	1.2
97.01130	0.7
97.02866	1.0
97.06507	0.9
99.08073	0.9
105.36898	0.6
108.04480	2.5
109.06506	0.7
109.10167	1.9
110.06058	0.8
114.03758	13.1
116.01687	12.0
116.90025	0.7
117.06976	0.7
119.08622	1.2
133.10110	0.6
136.03931	1.9
137.06013	2.1
137.09648	2.1
139.05750	1.3
142.03227	100.0
143.03471	0.7
144.01170	4.5
144.04768	0.8
147.11722	1.2
159.08403	8.3
162.02213	17.7
165.09122	2.2
170.02719	36.9
188.03735	0.8
197.13495	0.6
199.05394	5.2
227.04912	6.3
242.12276	3.3
245.05922	25.6
245.12914	2.2
246.06165	0.8
252.10461	1.6
253.09521	0.8
262.11081	6.9
270.11588	2.3
281.09158	1.1
299.10312	1.9
309.08606	1.4
327.09732	2.7
327.13541	1.2
345.10522	2.6
345.14514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
55.01870	1.2
56.05023	0.8
56.96559	0.6
60.04522	0.6
64.36977	0.6
65.03972	0.6
67.05491	0.9
69.03419	1.3
69.07076	1.1
69.84688	1.3
69.85094	1.9
70.06599	5.7
71.06911	0.9
72.08155	7.2
74.06072	0.6
79.05489	0.9
81.03403	0.9
81.07051	1.2
83.06159	0.6
84.04491	1.7
84.08143	3.5
85.02914	3.7
86.03259	0.8
86.09711	13.6
87.09995	0.6
91.05494	3.5
92.05798	0.6
93.07028	0.9
94.04179	2.3
95.04957	1.0
95.08542	0.8
97.02895	0.7
97.06559	0.7
98.21439	0.7
98.97579	0.9
103.05474	1.3
105.07031	1.4
107.04956	1.2
109.06537	1.6
109.10153	0.7
110.07196	0.8
112.08685	0.5
115.05466	3.1
116.07096	2.3
117.07420	1.1
119.04961	3.1
119.08624	0.9
120.05299	1.1
120.08096	0.5
121.06498	1.2
122.03649	8.2
123.04406	1.2
123.08076	0.9
125.05997	0.7
127.03893	0.8
129.10228	2.2
131.04936	3.2
133.02884	0.8
135.04475	0.6
136.07625	0.8
137.05981	100.0
138.06291	1.3
143.04961	1.7
143.11852	1.3
145.04936	0.7
147.04425	7.6
147.08055	1.1
148.04759	8.0
149.06039	2.6
151.03935	1.0
151.07542	1.8
153.05505	1.0
157.09761	0.7
159.04453	1.5
159.08115	0.5
160.05214	1.2
161.05978	4.5
161.09470	1.3
163.07545	1.3
165.05493	5.2
165.06970	1.4
165.09117	7.3
166.05832	5.1
167.08589	1.2
171.11359	0.7
175.03818	0.7
175.07559	3.7
177.05518	1.1
178.07761	1.6
179.07030	3.9
179.08566	1.5
179.10762	0.6
181.06436	0.6
182.07233	0.6
183.07953	0.6
183.11440	0.6
189.07091	0.9
189.09142	2.9
189.12355	1.0
191.07065	4.5
193.06480	1.3
193.08600	0.6
194.07373	0.9
195.08040	2.3
202.55717	0.5
203.07002	2.8
205.06462	1.3
206.07265	1.5
207.08057	2.7
210.06839	1.0
211.07480	0.6
221.05969	1.9
221.08008	1.0
222.06781	1.1
223.07571	1.6
224.08432	0.5
225.09178	1.6
227.10800	0.9
231.10147	1.1
233.06079	1.2
234.06781	2.7
235.07617	2.0
237.09132	2.1
238.06194	0.8
239.06961	0.6
239.10724	2.2
249.09163	2.0
251.07056	2.2
252.07765	1.0
253.08592	2.7
255.10178	1.1
262.06180	0.7
265.08728	2.6
266.09439	1.0
267.10141	5.0
274.14520	0.5
277.08707	2.2
283.09763	0.8
284.10309	0.9
285.11322	2.9
291.12378	1.5
294.08826	2.6
295.09586	2.5
297.11191	2.3
299.12961	1.7
309.11258	5.5
315.05087	1.1
315.12299	1.9
327.12277	3.3
345.09747	1.2
345.13812	2.9
345.22351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	6.6
57.03438	0.9
61.02925	1.2
68.53519	0.7
69.03429	0.9
70.11746	3.4
75.56541	0.7
82.50571	0.8
84.04492	0.9
84.96051	2.4
85.02927	1.0
98.97608	7.4
101.00887	0.9
116.98617	2.2
120.67005	0.8
124.99152	1.0
128.98625	1.0
130.93269	1.4
136.93149	3.1
143.00148	2.5
154.94197	3.3
158.97165	0.8
158.99886	1.7
161.02898	0.8
172.95341	2.1
177.00954	8.9
182.97206	1.2
182.99913	3.0
184.98270	0.9
200.98306	3.5
201.00941	9.8
202.24586	0.8
219.02025	100.0
220.02182	4.1
224.98386	1.3
228.97977	3.8
238.95598	2.9
242.03627	5.6
242.96927	0.8
242.99332	1.6
246.94202	0.8
246.98961	2.1
256.96582	8.2
270.94217	0.9
274.97720	1.7
279.98233	1.5
280.96811	1.6
285.00220	4.9
290.97083	0.8
294.00583	1.5
298.97723	43.3
299.98044	1.0
303.01547	2.2
312.46756	1.0
313.36484	0.9
313.94128	1.0
321.99445	7.9
362.95682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	Araneol
Peak:m/z	Relative Intensity
50.10172	0.3
55.01861	0.5
55.05501	0.8
57.03418	0.5
57.07055	0.7
61.01508	0.3
67.05521	1.8
69.03411	0.4
69.07059	1.6
71.52474	0.4
79.05470	1.4
81.03381	0.9
81.07068	4.5
83.04997	0.5
83.08582	0.9
84.08110	0.3
85.02888	0.6
85.06528	0.4
86.09677	0.3
91.05460	0.8
93.07065	1.9
95.04948	0.5
95.08612	4.2
97.02879	0.5
97.06512	1.3
105.06998	0.9
107.08601	1.6
109.06514	0.4
109.10166	2.6
111.87568	0.3
113.87502	0.3
119.08566	1.0
121.06529	0.5
121.10138	1.1
123.04388	0.8
123.08099	0.5
123.11700	1.7
124.32394	0.4
127.11198	0.4
131.04956	0.4
131.08618	0.3
133.10120	0.3
135.04390	0.4
135.08031	0.4
135.11685	1.0
137.05957	1.3
137.13240	0.7
145.10039	0.4
147.11620	0.5
149.05920	0.3
149.13232	0.7
151.07523	0.4
151.14685	0.3
153.01810	2.2
159.11705	0.5
161.13219	0.7
163.03937	2.7
163.14824	0.5
165.09081	0.4
165.12781	0.4
167.07011	0.9
170.02124	0.6
175.07573	0.3
177.05441	0.5
177.65271	0.4
178.02611	0.6
178.04823	0.5
178.06258	5.3
179.03345	0.5
181.06425	0.3
182.03624	0.3
185.05949	0.5
189.05455	0.4
191.06941	0.5
203.03448	0.6
203.06955	0.3
204.04126	0.5
205.04805	0.4
213.05446	0.6
216.04167	3.2
217.04959	1.3
227.03407	1.1
228.04163	0.7
231.02817	0.9
231.06540	1.8
241.04993	2.1
243.06482	0.9
244.03571	2.1
255.02910	13.5
259.06046	3.9
265.25290	0.4
269.04465	3.4
270.05411	0.4
271.05853	0.4
272.03165	1.5
273.03961	0.4
273.22247	0.7
273.25583	0.5
281.04465	0.7
283.02350	2.5
283.05975	1.0
284.03198	1.0
284.06607	0.5
287.05505	11.0
291.19580	0.6
291.26715	0.6
297.03952	2.7
299.05511	1.4
300.02707	5.4
301.07190	0.6
311.05609	0.6
312.06253	1.3
313.07089	1.2
313.10583	0.5
315.04990	60.3
316.05368	0.9
329.06476	1.2
330.03342	0.6
330.07346	18.4
345.09702	100.0
346.10190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21980	3.9
51.59928	3.8
51.67709	3.0
52.57265	3.9
53.03935	5.3
55.01868	11.3
55.05520	41.9
56.05032	10.9
57.03415	7.1
57.07080	22.1
63.51391	3.7
65.97102	3.3
67.05515	70.6
69.03424	9.2
69.07072	37.2
69.26857	35.6
71.04989	8.2
71.08637	36.6
74.06072	15.3
74.06447	3.4
79.05499	44.6
81.06596	4.8
81.07058	73.8
83.04996	21.5
83.08629	26.4
85.02876	3.4
85.06542	12.4
85.49834	3.5
88.07635	32.7
89.06017	4.9
91.05492	37.5
93.07043	76.8
95.04969	20.2
95.08608	54.5
97.06538	19.0
97.10160	11.4
99.04421	3.8
99.08086	31.0
103.88546	4.3
105.07030	32.6
107.04919	4.1
107.08607	33.5
109.06506	9.0
109.10169	22.0
111.08060	7.2
116.07129	4.1
117.07002	10.3
119.08597	23.5
120.06525	4.3
121.10168	23.3
123.07983	4.3
123.11675	6.4
125.09581	8.5
131.08560	10.9
133.08565	6.3
133.10143	23.4
135.08049	6.3
135.11678	18.2
137.09647	7.0
137.13208	5.5
139.11174	41.0
143.08533	4.9
145.10127	13.6
147.07971	4.9
147.11694	17.1
149.09592	6.4
149.13261	18.9
151.11166	15.9
157.10152	5.3
159.11696	15.0
161.13261	15.6
163.11217	6.4
163.14809	7.7
165.12770	7.5
173.11784	6.4
173.13196	5.3
175.11249	7.1
175.14836	8.3
177.12811	6.0
179.14351	5.8
181.12276	4.8
181.91632	4.5
187.13353	5.2
193.12244	10.7
195.13788	18.5
231.21130	8.1
231.24957	4.2
241.19460	9.9
241.23431	5.0
259.20447	25.1
277.21664	69.5
291.23209	16.3
298.30991	9.0
309.24197	12.8
335.70886	3.8
344.22855	4.8
344.31674	56.8
344.38040	100.0
345.09741	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21980	3.9
51.59928	3.8
51.67709	3.0
52.57265	3.9
53.03935	5.3
55.01868	11.3
55.05520	41.9
56.05032	10.9
57.03415	7.1
57.07080	22.1
63.51391	3.7
65.97102	3.3
67.05515	70.6
69.03424	9.2
69.07072	37.2
69.26857	35.6
71.04989	8.2
71.08637	36.6
74.06072	15.3
74.06447	3.4
79.05499	44.6
81.06596	4.8
81.07058	73.8
83.04996	21.5
83.08629	26.4
85.02876	3.4
85.06542	12.4
85.49834	3.5
88.07635	32.7
89.06017	4.9
91.05492	37.5
93.07043	76.8
95.04969	20.2
95.08608	54.5
97.06538	19.0
97.10160	11.4
99.04421	3.8
99.08086	31.0
103.88546	4.3
105.07030	32.6
107.04919	4.1
107.08607	33.5
109.06506	9.0
109.10169	22.0
111.08060	7.2
116.07129	4.1
117.07002	10.3
119.08597	23.5
120.06525	4.3
121.10168	23.3
123.07983	4.3
123.11675	6.4
125.09581	8.5
131.08560	10.9
133.08565	6.3
133.10143	23.4
135.08049	6.3
135.11678	18.2
137.09647	7.0
137.13208	5.5
139.11174	41.0
143.08533	4.9
145.10127	13.6
147.07971	4.9
147.11694	17.1
149.09592	6.4
149.13261	18.9
151.11166	15.9
157.10152	5.3
159.11696	15.0
161.13261	15.6
163.11217	6.4
163.14809	7.7
165.12770	7.5
173.11784	6.4
173.13196	5.3
175.11249	7.1
175.14836	8.3
177.12811	6.0
179.14351	5.8
181.12276	4.8
181.91632	4.5
187.13353	5.2
193.12244	10.7
195.13788	18.5
231.21130	8.1
231.24957	4.2
241.19460	9.9
241.23431	5.0
259.20447	25.1
277.21664	69.5
291.23209	16.3
298.30991	9.0
309.24197	12.8
335.70886	3.8
344.22855	4.8
344.31674	56.8
344.38040	100.0
345.09741	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	344.2545
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05521	4.7
59.18707	0.3
60.30277	0.4
62.63627	0.3
67.05515	1.3
69.03420	0.4
69.07072	1.1
69.52448	2.3
70.06593	1.8
71.04980	0.5
71.86864	0.4
72.08160	67.8
75.95304	0.4
79.05504	0.6
81.03428	0.6
81.07052	1.6
82.06586	0.4
83.04987	0.4
83.08627	1.1
84.04503	0.7
84.08160	0.7
85.02922	0.8
85.06564	0.5
86.09711	100.0
88.04032	0.5
89.06060	0.6
91.05486	0.8
93.07053	1.2
94.02899	0.4
94.06563	1.4
95.08609	1.0
97.02914	0.6
100.11276	1.9
101.11615	1.1
105.07021	0.8
107.08588	0.7
108.36450	0.4
109.06530	0.4
109.10178	1.1
117.03403	1.1
119.04978	0.5
119.08554	0.4
120.04477	0.5
120.08091	0.8
121.06522	1.2
121.10150	0.5
126.03770	2.1
129.10291	0.5
132.10191	2.4
133.10129	0.6
137.06001	0.8
137.09624	0.7
138.03766	1.4
138.05522	1.7
138.09082	0.4
145.02853	1.1
147.08080	0.6
151.03889	0.6
152.01639	0.5
163.11191	0.5
164.07060	0.5
165.09058	0.6
170.02672	0.6
172.04297	1.7
177.05518	2.5
181.08539	0.7
182.02646	0.4
185.16504	58.9
186.16818	0.5
190.12315	0.4
192.10269	0.5
198.02182	0.9
198.05862	1.0
202.86063	0.4
204.13933	0.7
213.15990	37.0
231.17052	6.0
232.16795	0.5
248.16524	0.8
250.17984	0.4
252.15999	0.8
282.11682	0.6
282.15222	1.7
295.17801	1.3
308.13177	0.4
311.57477	0.4
326.14160	2.2
327.14886	0.7
344.14807	2.1
344.25119	0.8
344.30850	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2547
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
53.03963	0.5
54.09357	0.3
55.05518	4.4
56.05052	0.4
57.05822	0.8
59.14495	0.4
61.01158	0.5
67.05495	0.8
69.03436	1.1
69.07075	6.5
69.88068	1.8
70.06592	2.6
70.44671	0.3
71.04968	0.4
71.06905	0.4
72.08160	50.5
75.99491	0.3
79.05476	0.4
81.07071	1.2
84.04488	0.9
84.08147	0.8
85.06578	0.4
86.06084	0.4
86.09711	100.0
88.04000	0.6
89.06005	0.4
89.19823	0.4
91.05487	1.4
93.07089	0.8
94.15866	0.4
94.26640	0.3
95.05008	0.6
97.06532	0.5
98.96526	0.4
98.97662	0.3
103.05466	0.5
105.07015	1.0
107.08581	0.8
108.08131	0.4
109.06557	0.4
109.10150	0.5
112.07626	0.4
113.03532	0.3
114.09229	0.5
116.07084	0.8
117.07066	0.3
120.08089	0.7
121.06567	0.5
122.02757	0.8
123.08083	0.3
126.03760	0.4
129.10272	0.9
131.04909	0.4
132.10216	1.6
133.06422	0.4
137.05997	1.3
137.09663	0.6
138.05493	0.4
149.05975	0.4
163.07494	0.9
163.11176	0.7
164.11609	0.5
166.08591	0.4
166.13431	0.4
167.07027	0.9
173.04262	0.4
185.16505	46.3
186.16826	0.4
190.05026	1.4
191.05334	1.6
199.18059	3.6
205.12262	0.4
213.16000	25.2
227.17555	2.5
230.17516	0.6
231.17044	1.7
245.18633	2.9
246.64658	0.4
256.22690	0.5
284.09805	0.4
300.38794	0.4
344.17505	1.6
344.24814	0.6
344.32770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2222
Annotation	Polysignine
Peak:m/z	Relative Intensity
50.37617	0.4
53.03936	0.6
55.05482	1.4
57.03429	0.4
67.05479	1.8
69.07058	1.0
70.43240	0.8
70.43600	1.1
79.05499	4.8
80.04998	0.6
81.07076	2.6
83.08609	0.6
91.05490	3.6
91.06371	0.4
93.07033	4.2
94.06564	0.5
95.04918	0.4
95.08638	2.6
97.06509	0.6
103.05479	9.0
105.07040	3.1
107.04961	5.8
107.08609	1.9
108.08128	14.5
109.08903	1.0
110.09647	1.3
117.06986	0.7
119.08556	1.2
119.71003	0.4
120.08112	3.5
121.08907	0.5
122.09681	9.9
123.10400	1.4
124.11233	0.6
130.06537	3.4
131.04942	4.9
131.08563	0.5
132.08118	2.2
133.10103	0.7
134.09666	0.9
135.11687	2.4
136.11214	3.9
138.69391	0.4
148.11147	0.5
149.05948	0.7
150.12791	22.9
151.13565	6.4
152.14339	5.1
166.12318	0.6
170.09625	0.5
176.06891	0.4
179.14282	0.7
180.10223	4.8
180.11852	0.5
198.12759	0.5
200.14336	1.2
206.13638	0.4
212.14394	0.5
226.15929	0.9
228.10229	1.3
230.11752	0.7
232.13460	0.6
246.11267	0.7
246.14883	1.8
254.19058	3.5
256.13327	1.2
258.14917	0.5
270.14917	2.2
271.15683	0.5
272.20300	0.5
298.17899	1.4
298.21225	0.5
300.19601	100.0
301.19931	1.2
302.21115	4.0
344.22229	78.8
345.22531	1.3
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
55.01876	3.0
55.05510	5.3
57.03442	8.9
60.30074	1.4
67.05514	16.5
69.03418	2.9
69.07074	23.0
70.76899	4.6
71.05001	10.2
73.02914	1.4
79.05495	18.5
81.03416	10.2
81.07059	15.6
83.04995	4.6
83.08611	2.4
85.06551	2.9
91.05482	10.9
93.07043	15.2
95.04969	18.1
95.08601	10.0
97.06536	100.0
97.66672	1.5
99.08094	5.5
105.07046	10.9
107.04979	2.2
107.08584	6.6
109.06525	6.5
109.10162	4.1
111.08086	3.5
115.07578	26.3
117.07026	4.8
119.08586	5.4
121.06554	1.6
121.10187	4.3
128.49483	1.4
129.07036	1.9
131.08597	6.0
133.10136	5.7
135.08051	1.9
135.11708	6.6
143.08583	3.4
145.10115	3.7
147.11702	2.9
149.13243	2.6
151.11169	3.4
157.10162	2.5
159.11743	6.0
161.09703	2.2
163.11191	2.3
165.09177	1.7
167.42087	1.6
171.11787	2.6
173.13272	2.2
177.12732	8.1
195.13820	6.3
219.13814	2.8
223.13361	3.6
273.18521	4.1
291.19580	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	344.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05513	1.3
58.99588	0.6
60.04513	1.0
65.03934	0.9
67.05508	16.8
68.05032	4.5
69.07072	7.8
69.30329	5.2
70.06596	0.9
71.05000	4.9
71.99097	1.0
72.08155	1.1
73.08010	0.6
74.00676	1.4
79.05508	1.8
81.07066	7.3
82.06583	1.4
82.07396	0.7
83.05013	0.8
83.08618	0.6
84.04491	0.6
85.01144	1.0
85.06559	7.4
86.09712	2.3
91.05466	0.9
93.05788	0.6
93.07046	2.4
94.06566	1.5
95.04971	1.0
95.08615	1.7
97.06511	0.7
98.06056	1.6
103.53981	0.6
105.07030	1.9
107.08588	3.6
109.10162	100.0
110.06065	1.5
110.10507	1.1
111.02659	0.9
111.08106	1.0
114.05527	2.8
116.01649	0.8
117.99608	4.4
119.08546	1.6
121.10133	3.7
123.08083	8.2
126.03754	6.6
127.02162	1.7
127.11201	12.6
129.15944	0.7
131.04921	1.4
133.10129	0.8
135.08035	0.9
137.05984	9.4
138.03714	1.2
138.05486	3.7
138.09143	0.8
139.05756	1.5
140.07051	1.0
142.03259	0.9
145.10135	1.7
147.08040	1.0
147.11702	1.0
149.09518	0.7
152.01686	1.0
154.03212	7.4
155.04019	0.7
155.10672	0.6
161.73225	0.6
163.05760	0.6
163.06393	0.6
163.07582	5.0
163.11205	1.7
165.09135	0.8
165.12785	0.9
170.02739	1.9
170.79248	0.7
172.04294	2.1
176.71281	0.7
178.06923	0.8
179.08931	0.7
181.06865	1.6
182.02681	3.2
183.03639	0.7
191.14279	1.0
192.04686	0.7
192.10252	1.1
193.12491	0.7
200.03740	4.7
205.08604	1.7
205.12346	0.8
207.13811	1.4
209.15486	1.3
213.09456	1.1
221.15395	0.9
225.00012	0.6
234.99019	0.9
239.10992	6.1
241.12457	1.4
266.12155	1.1
282.15338	1.7
290.12140	1.3
292.15509	0.7
308.13150	34.5
311.22635	0.6
326.14215	23.4
344.15244	6.3
344.24341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.8
59.04718	2.8
59.05002	47.8
60.08165	6.7
61.02914	2.4
67.04234	3.7
68.05013	1.7
69.03433	6.3
70.06598	9.1
71.51627	2.1
72.08144	4.2
77.06050	1.9
81.03413	3.4
83.06098	2.1
84.04516	2.3
84.08150	2.9
85.02911	19.9
85.67768	1.1
86.09708	4.5
89.06030	15.4
93.39174	1.1
95.06125	3.1
97.02882	5.3
97.06492	1.5
99.04422	2.1
103.07589	48.7
107.06088	16.6
109.02885	1.4
111.05602	7.7
115.76976	1.0
116.07091	7.9
119.04932	5.3
121.08591	1.7
125.01710	9.3
126.02502	7.2
127.03229	13.3
133.08615	7.2
134.04634	3.7
140.07074	1.3
141.04791	4.2
145.02817	1.8
145.04945	3.2
147.03236	2.3
147.04407	39.4
161.10759	2.4
164.07068	5.6
165.05489	19.7
165.11234	100.0
169.04323	21.1
177.05571	3.0
177.62213	1.1
182.04962	38.9
183.11357	1.3
185.03801	1.6
185.09656	1.7
195.09535	1.7
201.12341	2.8
223.09097	7.2
228.11670	8.7
241.10059	21.0
257.09549	1.7
300.17401	50.2
344.10153	14.6
344.16434	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01864	1.6
55.64303	0.8
56.84764	0.9
57.03422	2.8
57.17855	0.9
61.02934	5.4
69.03433	9.6
69.44447	0.9
69.93232	3.3
70.06598	7.5
71.04962	1.2
72.08154	1.1
72.37549	0.7
73.02899	1.8
74.83064	0.7
81.03403	4.0
84.04495	1.0
84.08112	1.6
85.02907	40.0
86.09698	3.2
87.04486	1.4
88.03947	0.9
88.58968	0.9
91.03934	3.1
91.05486	20.5
97.02904	10.4
99.04479	2.1
103.05441	1.1
109.02871	3.2
116.07051	1.5
119.04947	68.0
127.03910	7.0
145.04979	10.8
147.04416	100.0
148.04817	0.9
163.06026	2.1
165.05484	55.4
172.24615	0.8
185.09207	1.0
242.72548	0.9
344.13370	1.0
345.15454	0.9
348.30667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
60.04520	0.5
61.02922	1.0
69.03434	3.7
69.07066	0.5
70.06598	4.6
70.17912	1.8
71.04977	0.5
72.08117	0.7
73.02906	1.0
81.03407	1.5
84.08131	1.7
85.02909	17.5
86.09720	3.2
88.04010	1.5
91.03944	1.1
91.05476	4.1
94.10510	0.5
95.04959	0.5
97.02895	4.3
99.04433	0.5
101.89809	0.4
106.82085	0.5
109.02861	1.6
116.07097	4.7
119.04946	18.3
119.82204	0.4
123.04436	2.1
126.27857	0.5
127.03898	2.5
127.04739	0.5
129.10268	1.1
129.92236	0.4
133.10143	0.8
141.98764	0.5
145.04976	3.3
147.04413	100.0
148.04770	0.8
158.73599	0.4
161.09674	1.4
165.05482	56.6
180.08672	1.7
182.08124	0.9
187.11160	0.6
199.58122	0.5
201.12387	1.5
239.11026	0.8
326.14185	1.6
344.13538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.05503	4.2
56.96570	2.5
57.03438	2.4
59.04999	3.4
60.04532	3.1
61.01156	11.2
61.02921	5.7
61.39211	2.1
67.05488	3.4
69.03434	100.0
70.06599	41.7
71.04998	2.4
71.06939	2.4
71.51184	2.6
72.08168	14.5
81.03427	35.4
81.07040	2.3
83.04990	10.4
83.06152	2.3
84.04507	4.4
84.08128	10.2
85.02908	34.4
86.09715	14.4
88.03977	3.0
89.04251	2.3
91.03928	3.2
91.05533	4.5
95.06097	7.2
97.02895	12.7
98.97573	4.0
99.04462	62.5
100.95895	3.5
101.04247	3.7
103.03936	2.5
103.07556	3.1
107.04974	2.4
109.02866	4.0
111.04452	2.2
112.08755	3.9
115.08694	2.5
116.07103	29.8
117.03730	12.8
119.04958	17.8
122.07150	3.0
123.04422	3.3
127.03920	8.0
129.03700	6.3
129.10265	5.3
136.07603	2.5
138.09145	2.4
145.04993	7.8
147.01247	2.3
147.04431	77.8
156.94937	2.0
163.05948	2.2
164.01675	4.8
165.05489	39.1
165.11224	6.6
165.24664	1.8
168.52193	2.0
171.81987	1.9
182.04994	17.6
182.09366	3.6
183.11430	3.3
186.78087	2.3
196.11807	2.0
201.12337	4.7
205.12300	5.8
214.95364	3.8
229.11938	3.0
237.02789	2.0
256.03165	2.7
274.97452	5.4
300.17535	2.2
326.17136	3.8
343.73157	2.3
344.10098	6.4
344.14185	2.5
344.17929	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01871	2.8
55.05521	10.6
57.03434	3.0
57.07084	6.3
59.04999	2.0
67.05180	1.7
67.05509	22.7
68.97086	1.1
69.03421	3.3
69.07072	31.3
69.35073	1.0
70.06575	1.6
70.10935	4.1
71.04980	4.3
79.05496	14.7
81.07064	100.0
83.04976	1.3
83.08623	10.5
84.04495	1.2
84.08152	1.1
85.02927	1.7
85.06554	10.9
91.05482	9.0
93.07049	30.5
93.48470	1.1
95.04980	3.4
95.08619	54.1
97.02851	1.2
97.06540	6.9
97.10165	4.1
99.08099	6.4
100.11255	2.6
105.07031	10.9
107.08602	33.0
109.06519	3.1
109.10168	32.3
111.07365	2.0
111.08077	18.9
111.11728	5.5
116.01660	3.2
119.08587	9.2
121.06525	2.5
121.10152	19.5
123.08102	1.5
123.11719	51.7
125.09621	3.8
127.07537	1.9
127.11195	1.5
131.04898	1.6
131.08543	2.3
133.10176	5.7
135.11699	13.9
137.05962	7.0
137.13252	13.1
139.11147	3.3
141.12662	2.6
142.03223	3.2
143.08609	1.5
144.01125	1.1
145.10132	3.5
147.11728	9.1
149.05919	1.5
149.13268	19.5
151.11240	5.1
153.12733	4.8
155.14296	4.9
159.11705	3.2
161.05995	1.4
161.13251	3.7
162.02193	3.4
163.03915	2.5
163.11180	4.7
163.14851	5.2
165.06963	1.3
165.12767	3.8
169.12256	3.4
170.02762	2.6
171.13780	2.2
173.05844	1.1
175.07523	2.2
175.14836	3.0
177.16406	2.1
179.14328	1.2
181.12265	1.7
183.13815	2.5
187.13298	4.2
189.09129	1.7
189.16402	2.2
191.17883	1.4
201.05446	3.0
201.16295	1.4
201.27005	1.0
205.06532	3.3
211.07486	1.1
215.17979	1.5
216.12273	1.1
217.19391	1.3
219.21233	1.6
221.05632	1.3
222.06802	1.8
233.06053	4.5
237.09050	2.3
250.06245	2.6
263.23688	1.3
264.07773	1.6
265.08612	3.8
271.24359	2.4
277.25330	3.5
278.05695	1.1
282.05399	1.4
282.08609	1.2
289.25235	9.0
292.07339	2.8
293.08032	3.6
293.10941	1.3
295.26291	1.9
297.11478	2.0
307.09738	5.8
307.26340	13.4
325.10556	7.5
325.27359	2.6
343.07971	2.4
343.11771	4.0
343.30801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	3.7
55.01874	3.8
55.05510	13.2
56.21691	1.2
57.03426	5.2
57.07082	8.1
59.04997	4.4
61.71386	1.3
67.05505	19.1
69.03436	8.0
69.07073	7.6
71.04997	16.0
79.05497	20.9
80.60557	1.3
81.03420	2.5
81.07070	22.9
83.04977	5.1
83.08608	3.0
85.06532	4.6
90.88001	1.4
91.05489	26.8
93.07051	56.2
95.04974	50.8
95.08615	57.2
97.06530	13.5
103.05445	3.2
105.04504	1.7
105.07036	61.5
107.04942	3.8
107.08601	45.0
109.06541	11.3
109.10153	3.9
111.08111	2.5
115.05452	7.4
117.07040	22.8
119.04990	1.7
119.08598	25.8
121.06506	11.7
121.10155	14.1
123.08075	21.2
126.98174	1.4
128.06256	3.6
129.06995	3.6
130.07803	13.6
131.08585	9.6
133.06499	5.1
133.10138	14.3
135.08070	22.2
135.11688	12.9
137.05977	3.6
137.09615	4.8
142.07797	4.0
143.08572	8.5
145.10130	71.9
147.08034	8.4
147.11688	4.9
149.09657	5.4
151.07558	36.6
153.07011	1.4
153.09146	3.0
155.08528	3.2
155.98178	1.6
157.10139	11.1
159.08063	3.5
159.11720	8.5
161.09651	7.4
161.13277	4.0
163.07486	1.9
163.11186	46.6
165.07022	3.2
165.09143	15.2
169.09996	3.5
171.11670	5.2
173.09639	4.4
173.13272	3.4
175.11107	7.6
177.09172	6.6
179.07054	4.1
181.12245	2.7
182.10815	1.5
183.11729	3.2
185.13370	2.5
187.11177	3.7
187.14799	1.9
189.12775	10.5
191.14278	3.7
193.08609	1.7
195.11598	1.9
197.13278	3.0
201.12675	1.4
203.14311	7.5
207.11896	2.0
207.13818	6.0
209.15379	5.1
211.11220	1.5
213.12897	1.7
214.82610	2.2
215.14281	3.7
217.12221	2.3
218.08867	2.1
221.13249	1.2
221.15349	27.0
233.15456	4.3
241.15961	2.3
243.13773	2.3
245.15329	1.7
249.16531	1.7
263.16531	7.1
269.15424	3.4
286.19208	4.0
287.16617	2.4
287.19940	2.3
309.89645	1.6
325.21646	10.5
343.22696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	4.1
55.01865	5.5
55.05516	15.4
57.03437	7.4
57.07084	8.3
59.04992	5.5
59.52515	1.4
65.03947	2.4
67.05180	1.7
67.05508	20.3
69.03444	7.7
69.07059	5.5
71.04999	15.4
79.05502	17.0
81.03411	3.2
81.07063	24.2
83.04976	3.3
83.08583	1.3
85.06549	3.6
91.05487	24.2
93.07049	57.0
95.04971	44.3
95.08611	68.0
97.06536	13.6
103.05473	2.3
105.07036	61.7
107.04959	2.5
107.08598	42.2
109.06525	11.3
109.10149	4.6
115.05473	4.0
117.07019	25.1
119.06056	1.7
119.08587	19.6
121.06505	13.4
121.10150	13.4
123.08065	20.0
123.11669	1.5
125.06016	1.5
128.06201	3.6
129.07010	5.0
130.07788	12.6
131.08580	7.6
133.06494	5.0
133.10133	11.9
135.08069	19.4
135.11682	10.8
137.05972	3.9
137.09587	3.2
141.06950	1.6
142.07855	1.8
143.08583	8.7
145.10130	60.3
147.08061	10.9
147.11702	2.6
149.09631	4.8
151.07550	37.9
153.09081	3.3
155.08527	1.5
156.09349	3.1
157.10172	3.5
159.08002	2.2
159.11716	7.6
161.09625	8.3
161.13243	3.2
163.11186	51.7
165.09128	13.3
169.10202	1.8
171.11655	4.1
171.81325	1.2
173.09645	4.4
173.13309	2.9
175.11169	2.5
177.09117	4.5
179.07043	5.4
179.08472	1.6
181.10141	2.1
182.10971	1.4
183.11714	2.8
185.09648	2.0
185.13287	2.4
187.11226	4.2
187.14771	2.0
189.09114	1.6
189.12746	9.1
191.14366	4.3
193.12317	5.9
195.11705	2.1
197.13268	2.8
199.11095	1.4
201.12691	1.9
203.14290	6.8
207.10118	2.3
207.13763	6.0
208.12306	1.2
209.13385	2.4
209.15474	2.8
211.14757	1.2
215.14304	2.4
217.12206	2.4
221.15361	21.6
227.14299	2.0
233.15392	2.3
240.23248	6.6
241.15950	2.8
263.16394	7.2
269.15424	3.9
274.19354	1.9
286.19421	4.3
287.16302	1.9
291.19656	1.9
297.22305	1.4
325.21603	7.9
343.11682	2.5
343.22699	100.0
344.23257	1.3
357.28668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01856	2.6
55.05514	1.3
57.03429	2.5
57.07073	1.4
61.02925	2.7
67.05501	1.2
69.03432	11.6
69.07060	1.7
69.55746	4.5
70.06583	1.7
71.04992	2.8
73.02911	1.8
76.05341	0.6
79.05513	3.5
81.03430	4.0
81.07066	8.8
83.04989	5.5
84.08152	0.7
85.02908	28.3
85.06544	0.7
86.09711	2.4
87.04453	1.8
87.10014	0.9
91.03931	2.2
91.05489	3.5
93.07041	8.2
95.04971	16.4
97.02903	9.3
97.06534	3.2
98.20825	0.9
99.04444	1.7
103.03905	0.8
105.07027	8.2
107.08601	9.0
109.02882	2.9
109.06528	2.7
110.07146	0.6
116.07121	1.1
117.07031	3.2
119.04966	0.8
119.08598	4.0
121.06525	3.3
121.10152	12.2
123.08063	0.9
125.06009	11.4
127.03902	6.5
128.06172	0.7
130.07779	3.6
133.06479	0.8
133.10233	1.5
135.08125	1.6
135.11711	7.4
137.05963	2.3
143.08519	1.2
145.04984	6.5
145.10133	17.0
147.08035	1.7
148.08882	0.8
151.07515	1.1
161.09622	2.1
163.11191	100.0
164.11542	0.9
165.09126	2.0
167.07085	1.2
173.09731	1.1
175.11217	0.9
176.04265	1.2
181.12253	13.7
187.11116	0.9
191.10722	1.2
193.12247	0.9
205.12285	2.1
207.06619	1.3
208.06822	2.0
223.13309	2.3
261.29858	0.7
289.14349	1.0
307.15475	1.2
325.16443	1.1
343.13318	0.9
343.17401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03931	3.3
53.70548	2.0
55.01878	2.8
55.05515	13.3
57.03441	5.7
57.07065	7.2
59.04957	3.0
67.05510	17.3
69.03430	6.3
69.07072	6.7
70.91661	5.7
71.05004	12.4
79.05492	20.3
81.07075	21.4
83.04974	4.2
83.08601	2.7
85.06524	2.6
91.05486	25.9
93.07051	51.7
95.04975	42.2
95.08615	56.2
97.06538	13.7
103.05468	3.0
105.07041	62.1
107.04897	2.9
107.08603	39.3
109.06536	13.5
109.10152	4.7
115.05486	3.9
117.07030	26.4
119.08580	20.6
121.06519	11.4
121.10140	16.0
123.08093	19.6
125.05941	2.6
128.06235	3.9
129.07021	6.4
130.07800	10.3
131.08580	8.5
133.06491	5.1
133.10127	13.1
135.08083	18.4
135.11714	14.0
137.06027	3.1
137.09625	6.7
143.08549	10.0
145.10141	62.0
147.08070	12.5
147.11705	6.9
149.09561	2.7
151.07571	37.0
153.09085	2.7
155.10683	4.7
156.09375	3.4
157.10123	10.6
159.08078	4.1
159.11711	7.8
161.09651	8.5
161.13203	3.5
163.11186	55.3
165.09146	14.5
169.10031	2.6
171.11749	5.0
173.09621	6.0
173.13252	2.7
175.11212	5.4
177.09155	3.6
179.07060	5.0
179.08595	3.4
181.12262	3.0
183.11665	3.1
187.11156	5.3
189.12758	7.2
197.11661	2.8
199.11168	3.1
203.14301	9.9
221.15384	25.6
233.15428	3.9
237.16650	2.5
243.13405	2.6
251.16554	2.8
263.16507	4.9
269.15344	3.1
286.19308	2.7
287.16269	2.8
325.21606	10.2
343.22711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03944	2.7
55.01867	4.3
55.05512	9.0
57.03423	6.2
57.07063	7.0
57.15994	1.5
58.51150	1.5
59.05007	2.7
67.05510	16.7
68.31196	1.5
69.03412	6.4
69.07071	3.5
70.69628	3.9
70.69990	3.2
71.05001	14.6
79.05483	14.8
81.03426	2.0
81.07056	17.4
83.04968	5.3
83.08609	2.2
85.06544	3.3
91.05486	21.3
93.07050	47.9
95.04974	38.0
95.08611	56.9
97.06033	1.6
97.06553	12.9
103.05493	2.1
105.07038	52.5
107.04958	2.2
107.08604	38.3
109.06521	11.2
109.10137	2.6
115.05451	2.3
117.07018	24.7
117.80298	1.6
119.08590	19.6
121.06506	12.3
121.10152	14.2
123.08077	19.1
129.06960	5.2
130.07791	14.2
131.08578	7.1
133.06490	4.7
133.10100	12.1
135.08058	17.0
135.11723	13.3
137.05920	3.3
137.09663	4.7
142.07814	3.2
143.08588	8.3
145.10136	60.3
147.08063	7.9
147.11702	4.0
149.09637	4.0
151.07539	33.4
153.09120	2.6
155.10666	2.2
157.10103	8.0
159.08041	2.6
159.11717	5.5
161.09608	4.6
161.13303	2.1
163.11189	46.4
165.09128	11.0
169.10016	2.0
171.11700	7.9
173.09698	2.7
173.13278	3.3
175.11205	2.9
177.09091	4.9
179.07060	3.7
179.10674	2.2
181.10094	2.7
181.12285	4.0
185.13307	2.0
187.11171	1.9
189.12735	6.4
191.10585	2.5
191.14362	2.3
197.13313	2.2
203.14323	7.8
207.13838	3.7
209.13252	2.0
215.14426	3.3
217.12206	3.3
221.15359	27.9
223.14769	2.4
225.12595	1.9
225.16431	2.3
227.33623	1.7
233.15282	4.1
241.15865	4.5
243.13840	2.0
263.16260	4.2
269.15314	2.9
286.19284	4.8
287.19986	3.0
324.59549	1.7
325.21606	13.6
343.22662	100.0
344.23016	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94001	1.1
53.03946	1.9
55.01862	2.7
55.05521	6.8
57.03416	1.4
67.05513	12.7
69.03420	3.2
69.07063	3.1
69.38688	8.4
70.06602	8.9
71.04998	6.0
79.05497	14.3
81.03388	1.1
81.07070	12.5
81.96455	1.1
83.04979	3.7
84.08144	6.9
85.02867	1.4
85.06557	2.0
88.05695	1.1
91.05479	6.9
93.07052	34.4
95.04961	3.5
95.08603	4.9
97.06558	5.4
98.20737	2.1
99.03860	1.6
99.04468	23.5
101.06029	2.4
103.05476	2.7
105.07043	39.7
107.04926	1.1
107.08594	27.1
109.06533	1.9
109.10198	7.0
111.08104	1.7
117.07030	6.0
119.08595	19.9
120.08121	23.7
121.06517	20.3
121.10159	49.9
123.08050	2.4
123.11692	1.5
129.07007	1.2
130.07803	3.2
131.08557	5.8
133.06482	1.0
133.10127	2.2
135.08067	14.4
135.11705	12.6
137.06033	1.5
137.13257	1.3
138.66203	1.3
143.08527	2.2
145.10141	45.4
147.11700	5.2
149.05994	2.9
149.09641	10.3
149.13307	1.7
163.11194	93.6
164.11517	1.2
165.05467	1.3
173.09662	11.1
181.12256	26.1
191.10690	100.0
209.11723	25.7
222.06895	1.0
227.12804	39.1
246.13640	2.5
277.25470	1.9
295.26358	1.3
305.67413	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	343.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10305	1.4
53.03931	2.2
55.01871	3.5
55.05523	7.2
65.03922	1.5
66.60670	1.3
67.05510	11.9
69.03419	4.4
69.07056	5.8
69.38302	11.6
70.06598	8.1
71.04996	8.6
72.96879	1.3
74.14311	1.5
79.05491	12.6
81.07069	12.2
83.04968	4.2
83.08617	2.0
83.40181	1.5
84.08134	3.8
85.06544	2.0
91.05492	9.3
93.07049	45.0
95.04967	4.6
95.08613	6.7
97.06524	4.8
97.11030	1.5
99.04457	29.4
101.06003	4.0
103.05468	3.3
105.07037	47.2
107.04967	1.5
107.08604	32.5
109.06509	5.7
109.10136	4.7
111.08073	3.9
117.07040	7.5
119.08587	20.5
120.08117	24.4
121.06518	22.8
121.10146	55.2
123.08060	2.1
130.07782	4.5
131.08554	3.8
135.08061	17.1
135.11687	14.2
138.04637	1.4
143.08528	2.4
145.10129	52.8
147.11668	5.7
148.03929	1.6
149.06024	3.2
149.09625	11.2
149.13278	1.6
159.70064	1.7
163.11186	95.8
173.09628	9.4
181.10797	2.5
181.12251	30.5
191.10677	100.0
209.11731	29.0
227.12807	39.8
250.62238	1.8
269.13870	1.6
287.15790	1.5
343.08102	2.9
367.32166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49581	0.7
56.96558	2.4
61.64544	0.7
69.38142	5.7
98.97594	26.0
99.97887	1.1
102.69338	0.8
116.98641	7.5
134.99655	1.8
156.96593	0.9
165.14420	0.8
174.97662	1.8
176.97369	1.2
177.00987	3.1
180.47594	0.8
191.19966	0.8
192.98698	1.0
194.98499	1.0
198.97832	3.0
216.95496	2.0
216.98810	13.8
218.98631	3.8
219.02019	7.8
220.02097	1.4
222.97977	1.8
225.01019	0.9
234.96581	1.3
234.97440	1.1
234.99883	12.2
235.99985	0.9
236.99577	5.1
240.98930	15.7
241.99135	0.9
246.36790	1.0
256.96729	0.9
258.96603	4.4
258.99976	34.8
259.99976	6.9
260.99661	2.3
261.03082	7.4
264.98712	4.6
270.99704	1.0
273.98721	1.7
274.97385	0.8
276.97623	5.3
277.01010	13.5
278.01025	5.9
278.96915	1.7
279.00955	1.6
283.00012	100.0
284.00070	4.8
291.99945	0.9
300.97653	15.6
301.00998	83.5
302.01117	4.8
318.98758	17.0
319.02197	3.8
324.02631	1.2
325.01047	18.4
342.98691	5.2
343.02164	67.4
344.02246	4.0
360.99646	13.1
361.03314	11.4
366.03687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
54.19755	5.8
55.01872	8.5
55.05515	56.3
59.02798	5.5
67.05515	100.0
69.03414	8.0
69.07079	62.8
70.56844	18.0
71.04987	9.8
73.06567	8.0
79.05499	64.1
81.03419	16.9
81.07060	99.0
83.04990	14.6
83.08633	34.2
83.09045	6.2
85.06557	6.9
88.50493	5.7
89.90491	5.2
91.05484	65.7
93.07044	65.7
95.04968	32.0
95.08624	64.4
97.06552	21.3
97.10155	6.0
98.09709	6.9
102.32957	5.3
104.05837	7.0
105.07032	52.9
107.04965	12.3
107.08598	48.1
109.06532	15.5
109.10184	31.7
111.08044	8.8
111.43200	6.1
117.07020	20.9
119.08587	46.1
121.06484	9.8
121.10168	37.7
123.08095	19.1
125.09611	7.9
129.07014	9.3
131.04918	9.7
131.08592	26.3
132.05296	5.5
133.10149	45.9
135.08101	15.0
135.11708	37.7
137.06007	47.0
137.09636	11.2
138.06296	29.0
143.08569	9.6
145.10130	30.2
147.04353	5.8
147.11742	25.1
149.09647	14.6
151.07610	6.4
157.10088	13.0
159.11696	17.8
161.13254	8.4
163.11220	14.2
165.12759	7.6
171.11699	7.3
173.11887	6.7
173.13312	19.8
175.07376	6.2
176.07898	8.7
177.12697	9.1
181.12236	28.9
187.07512	12.8
188.07875	14.6
193.12256	7.6
195.13850	14.9
207.13924	9.1
211.13295	10.0
212.08006	14.3
213.14937	5.8
213.42343	5.1
214.76665	5.5
228.07368	7.4
229.19644	7.4
230.24756	9.1
232.08458	12.4
239.17805	8.3
247.20570	6.4
249.08678	16.7
256.06897	9.0
257.18961	5.7
260.07803	8.6
263.10654	7.4
264.11121	18.9
265.08621	6.8
266.22977	5.4
271.09341	23.8
272.09973	22.4
275.20053	67.3
277.07947	6.3
280.10785	7.6
284.10165	7.9
289.21655	11.0
292.10480	41.5
293.21149	17.8
297.10928	7.7
307.22668	9.8
312.13422	6.6
324.13104	24.2
342.14188	24.1
342.37341	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.2
55.05278	3.8
55.05516	45.5
57.07079	4.3
59.04996	3.3
62.23753	2.7
64.31442	2.3
67.05505	19.2
69.03416	6.3
69.07072	22.3
71.05009	2.9
71.41814	4.4
79.05499	34.0
81.07060	19.4
83.04989	4.0
83.08627	30.8
85.02921	8.7
85.06519	2.8
91.05482	18.4
93.07043	27.9
95.04979	4.5
95.08624	12.9
97.06541	7.0
97.10177	74.1
105.07055	17.2
107.04933	2.6
107.08604	87.0
107.84110	2.6
109.06525	3.0
109.10173	5.2
111.08118	4.4
117.07015	5.4
119.08588	6.1
121.10149	5.5
123.08025	4.0
125.09643	78.9
126.78123	2.5
127.95206	2.4
129.26505	2.9
131.08569	5.5
132.05272	3.2
133.10132	9.4
135.08058	14.9
135.11696	4.3
137.05988	14.5
138.06331	8.2
142.54750	2.7
145.10126	9.2
147.11693	6.6
149.09621	2.9
151.07520	3.7
153.09073	13.4
157.12242	6.3
159.11603	3.3
181.12236	3.6
187.07549	4.1
203.12791	100.0
204.08948	3.1
221.15431	3.1
224.26581	2.7
239.17892	3.5
249.08571	3.4
257.19046	13.4
264.11044	4.0
271.09402	3.6
272.10092	9.0
275.20059	39.0
277.08176	3.2
289.21524	16.1
292.10535	10.6
307.22665	9.2
324.13123	8.7
342.14163	9.9
342.24512	4.1
343.22672	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05513	5.8
59.04993	0.8
62.06102	2.2
67.05497	1.6
67.11409	0.5
69.07059	1.0
70.06593	1.2
70.15880	1.4
71.05012	0.6
71.08637	7.9
72.08145	1.5
79.05486	2.1
79.19932	0.4
81.03416	0.8
81.06651	0.4
81.07063	2.5
82.07388	0.6
83.04987	5.3
85.02908	0.9
86.06076	13.1
91.05482	3.5
93.07051	3.4
95.04983	0.9
95.08601	1.3
96.08142	5.9
97.02876	0.7
97.06546	0.9
98.06087	0.6
98.09699	9.6
98.20716	0.4
99.08112	2.9
100.07631	0.6
101.06046	4.4
103.05436	1.1
104.05822	0.9
105.07006	1.2
107.08582	1.7
108.08112	1.7
109.06533	1.0
109.10152	0.8
111.04465	7.2
114.09162	1.2
116.10741	23.6
119.08607	4.8
120.08068	0.7
121.06461	0.5
121.10134	1.3
122.09679	1.3
123.11709	0.7
124.07578	1.6
129.05496	1.6
129.06929	0.6
130.02478	0.5
130.07370	0.6
131.04927	2.0
131.08551	0.6
132.05267	1.4
133.10094	0.5
134.09665	1.0
135.08028	0.5
135.10403	0.9
137.05978	7.0
137.09584	1.5
138.06311	4.1
142.07581	0.9
142.08650	10.9
142.12253	3.2
143.10683	6.9
145.10121	0.6
147.08096	0.5
148.11214	0.7
152.10754	0.8
154.08696	0.7
155.07040	2.0
160.13344	1.4
161.13350	0.6
162.12791	1.1
163.07642	0.4
164.10732	4.7
165.09081	0.6
166.12236	0.6
173.08101	1.1
175.07578	0.9
176.07874	0.5
178.05940	0.6
180.13826	1.2
182.15463	4.7
184.13345	1.9
187.07570	1.7
188.07898	2.0
189.09035	0.7
190.12317	4.6
195.18576	0.6
196.16962	1.3
198.14926	2.1
204.08878	1.1
208.13359	7.6
212.07930	0.9
214.18053	10.3
226.14401	31.4
227.07118	0.5
228.07306	0.9
232.08394	1.6
233.09119	0.6
240.07376	1.0
241.08253	1.2
244.15469	100.0
245.15825	1.5
248.08002	0.8
249.08688	1.7
256.07004	1.0
263.10535	0.5
264.11093	2.2
266.08908	0.8
270.08841	0.9
271.09290	3.0
272.10007	2.7
277.08279	0.9
278.09000	0.6
280.10455	0.7
289.17786	0.5
292.10562	5.1
312.13055	0.9
324.13162	4.6
324.21793	4.3
342.14310	4.5
342.22815	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	26.7
55.05514	100.0
57.03428	25.7
65.05944	9.8
67.05508	83.4
69.03437	23.7
69.07076	57.9
71.04980	36.1
71.52769	12.4
72.08156	8.4
79.05499	69.0
79.26478	9.4
81.03413	33.0
81.07058	54.2
83.04971	21.3
83.08630	53.4
84.74680	9.0
85.02916	13.3
87.04436	11.4
91.05486	53.5
93.07041	55.0
95.01328	13.9
95.04970	56.6
95.08613	20.4
97.02929	8.4
97.06520	47.1
97.10181	50.3
105.07025	40.8
107.04951	40.4
107.08585	38.6
109.02858	9.1
109.06533	34.4
109.10155	22.0
111.04401	12.4
111.08092	12.7
113.05968	11.3
115.07565	15.2
117.07020	15.5
119.08586	28.3
121.02860	39.6
121.06516	43.1
121.10182	19.7
123.04457	9.9
125.09641	43.1
131.04955	15.1
131.08566	18.0
133.06543	11.6
133.10216	14.3
135.08069	14.1
137.05972	68.2
137.09598	17.6
138.06326	55.7
145.10112	15.3
147.08081	13.3
147.11687	29.7
151.07597	11.9
153.83026	9.6
155.08473	11.4
157.10104	22.4
159.08063	79.1
173.09706	12.9
175.11182	16.3
178.05815	10.3
185.09605	13.6
187.07558	12.7
188.07755	17.8
189.11258	45.4
193.12253	22.2
211.13226	12.3
212.07948	15.0
216.79962	11.0
219.13831	16.0
220.08337	10.0
221.11754	37.6
227.16460	13.7
228.07370	20.1
233.15347	11.4
237.14828	20.6
239.12746	19.9
247.13261	18.3
253.15839	11.5
256.20456	17.1
264.07312	11.8
264.10986	20.4
271.09323	35.4
271.16827	21.3
272.09982	23.2
277.08063	10.5
284.10062	10.5
289.18042	50.6
292.07645	11.4
292.10544	61.9
297.60678	9.1
307.19086	16.0
324.13120	42.3
342.14273	49.0
342.24469	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05023	1.5
57.03440	5.3
59.04990	1.3
61.02924	1.8
69.03434	3.7
69.98997	4.0
70.06589	4.3
71.04982	2.5
71.08641	5.6
72.08150	3.5
79.05485	2.5
81.03432	2.0
81.07063	12.6
84.04485	1.1
84.08138	3.2
85.02904	13.3
85.06548	1.7
86.09698	2.5
87.04468	0.9
93.52440	0.7
94.84090	0.8
97.02891	3.1
97.87357	0.9
98.21409	1.5
99.07501	1.4
99.08102	20.7
103.07589	1.8
109.02879	0.9
109.06521	17.2
109.07250	1.3
110.09639	1.1
116.07106	1.1
117.09138	100.0
120.08105	6.4
121.08901	1.0
127.03938	1.9
127.07562	44.7
129.10240	1.4
137.05940	3.0
138.06342	1.3
138.09180	1.6
145.04968	2.3
145.08638	1.2
149.11646	0.9
163.03865	1.7
163.09674	33.7
184.07425	1.1
188.07936	1.5
195.11285	1.5
218.08728	0.8
249.08659	0.9
253.15489	0.8
265.52805	1.0
273.06873	1.0
292.10544	1.4
314.12323	1.1
324.13202	1.8
342.14429	1.1
342.23322	1.5
354.06015	0.9
355.15601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80065	0.5
54.37664	0.5
55.01881	0.6
55.05512	7.0
57.03422	1.4
57.07080	12.9
61.02921	1.4
64.97242	0.5
69.03424	3.9
69.86323	2.9
70.06604	5.6
71.04988	0.6
72.08154	0.6
73.02918	0.9
81.03419	1.8
83.08628	2.8
85.02912	14.0
86.09718	1.4
87.04461	0.7
89.06037	34.4
91.03941	1.0
97.02901	4.0
98.21414	0.8
99.04446	0.9
101.09662	14.9
105.07014	0.6
107.07076	32.1
109.02950	1.1
122.03654	0.7
125.46336	0.5
127.03899	2.1
128.09543	0.5
131.04903	0.7
137.05975	2.4
145.04953	2.0
145.12157	0.9
147.11842	0.5
163.13306	100.0
164.13638	0.6
175.07524	2.7
183.14964	1.4
204.04344	0.6
208.08871	0.5
211.14452	0.8
278.25073	0.6
278.63040	0.7
324.25336	0.9
342.14233	1.0
342.19254	0.7
342.26935	0.7
343.17209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.30104	0.7
53.44852	0.6
55.05513	7.4
56.05029	0.7
57.03423	1.1
62.06073	0.7
67.05501	1.6
69.03434	0.9
69.07073	0.9
70.06568	1.2
71.08626	5.2
72.08144	1.2
79.05488	1.9
81.03435	0.9
81.07065	3.1
83.04988	6.7
83.08636	0.8
86.06075	13.3
91.05465	1.3
93.07055	2.2
95.04988	0.9
95.08598	1.9
96.08144	5.7
97.10140	0.9
98.06046	0.7
98.09111	0.9
98.09703	10.3
99.08086	2.4
101.06034	4.6
102.45593	0.8
103.05461	1.1
104.05807	1.0
105.07020	1.3
107.08608	1.4
108.08138	1.8
109.10175	1.0
111.04458	6.4
111.08105	1.0
114.09222	0.6
116.10739	23.0
117.07077	0.9
119.08568	2.8
121.06527	0.6
121.08896	0.9
121.10172	1.0
122.09692	1.1
124.07576	1.0
129.05476	1.1
131.04941	1.7
132.05275	1.3
134.09692	1.2
135.08096	0.9
137.05986	7.5
137.09657	1.2
138.06335	3.9
138.09058	0.7
142.08647	10.0
142.12303	0.9
143.10699	6.1
145.10143	1.5
154.15913	0.8
155.07019	2.5
162.12764	1.1
163.11165	1.8
164.10738	5.6
173.08153	1.7
173.09570	0.8
180.13936	1.3
182.15471	3.8
187.07603	1.4
188.07903	1.8
189.09109	0.7
190.09535	0.8
190.12276	3.9
196.17017	2.3
198.14938	2.4
204.08923	0.9
208.13332	8.4
209.11723	2.5
214.18042	27.6
218.08936	1.3
222.19322	0.7
226.14401	31.9
227.07094	0.8
227.12753	3.0
228.07483	1.2
232.08508	1.1
240.07402	1.0
241.08397	1.1
244.15471	100.0
245.15741	1.8
249.08719	2.3
260.07797	1.1
264.11026	1.6
271.09210	3.9
272.10001	2.8
277.37097	0.7
280.10333	0.7
284.09897	0.9
289.18176	1.2
292.10574	4.9
307.19012	1.6
312.12982	1.1
324.13232	4.8
324.21704	1.8
342.14194	4.0
342.22632	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	341.3206
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05513	12.7
57.03444	2.3
57.07079	15.0
66.33330	1.6
67.05507	24.6
69.07076	33.9
71.07683	1.9
71.08653	8.3
71.30280	2.8
73.07480	2.1
73.25623	1.7
79.05510	14.3
81.07062	100.0
83.08630	19.5
85.10203	4.3
89.55338	1.6
90.24593	1.8
91.05468	9.5
93.07050	31.3
95.08613	73.9
96.75771	1.7
97.10186	10.4
105.07040	25.6
107.08600	32.8
109.10166	47.7
111.11733	4.1
117.07005	2.1
119.08591	24.0
121.10148	35.9
121.10938	2.9
123.11704	28.0
123.12480	2.3
125.13284	2.5
131.08617	5.2
133.10124	14.7
135.11707	23.3
137.06000	7.2
137.13280	18.3
145.10165	7.7
147.11708	17.3
149.13280	24.9
151.14847	2.2
159.11722	10.2
161.13269	18.7
163.14828	18.6
173.13339	8.4
175.14804	9.6
177.16412	11.3
187.14798	2.7
189.16374	12.5
191.17996	10.6
201.16393	2.4
203.17975	14.7
205.19669	3.0
215.18088	4.5
217.19502	19.5
229.19618	3.1
231.21265	5.5
243.21257	2.3
245.22853	3.6
257.22784	4.7
271.24335	3.8
285.25830	2.5
291.10300	3.3
323.12891	2.7
341.14322	2.5
341.27048	7.6
341.32138	79.7
341.36084	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.40115	0.8
55.05513	11.6
57.03419	4.7
57.07069	3.0
58.66867	1.0
59.04988	1.5
60.90237	1.1
65.03943	1.9
67.05507	34.9
69.03411	3.4
69.07072	16.7
69.96288	5.5
70.06609	1.4
71.04980	4.4
79.05515	6.0
81.03429	1.3
81.07056	65.4
83.04994	2.1
83.08219	1.4
83.08623	12.5
85.06541	6.9
91.05460	6.9
93.07040	15.3
94.04167	2.0
95.04961	2.9
95.08606	29.1
97.06528	4.9
97.10164	2.6
98.20880	1.3
99.04452	2.3
99.08086	5.4
100.11263	5.9
101.06013	3.4
103.05444	4.4
105.07024	10.5
107.04939	1.8
107.08599	14.5
109.06500	3.9
109.10158	100.0
110.10422	1.0
111.04457	1.3
111.08086	3.6
113.09642	1.2
115.07514	1.4
119.08594	7.1
121.06525	1.8
121.10133	8.6
122.03603	1.7
123.08062	2.6
123.11706	32.9
125.09617	2.5
127.11167	8.6
129.06952	2.2
131.04936	8.7
131.08560	2.4
133.10126	5.4
135.11710	7.0
137.05981	26.5
137.09613	4.1
137.13235	4.1
139.11171	4.5
141.12733	2.4
142.05305	1.1
143.04967	2.2
145.10115	3.4
147.04367	3.0
147.11696	6.0
149.05942	1.4
149.13228	3.7
151.07489	2.6
151.11250	1.6
151.14793	2.1
153.05460	4.8
153.12723	3.0
155.10646	7.7
155.14256	1.4
159.11726	2.2
160.05095	1.2
161.05998	2.6
161.09598	3.1
161.13289	2.8
163.07535	4.0
163.11147	1.8
163.14812	1.3
165.12744	3.7
167.14284	2.2
169.12265	1.6
172.05066	1.3
173.11769	2.1
173.13243	1.8
174.06860	1.6
175.07541	5.5
175.14857	1.7
175.61032	1.0
177.12651	1.4
179.07037	1.6
179.14313	1.9
187.07579	5.7
187.14764	1.3
189.05479	3.7
189.09073	3.5
203.08554	2.4
204.22050	1.3
210.14862	1.5
211.07559	3.4
217.08528	1.9
219.08028	2.2
220.08855	1.9
227.07047	4.9
227.67470	1.2
231.07947	2.6
239.07027	2.7
240.07741	1.3
247.07481	1.2
248.08272	4.5
251.10568	1.4
255.06454	3.0
259.07541	1.9
262.06317	1.1
263.10617	4.1
264.07803	1.1
266.05826	1.4
269.22638	1.8
270.08893	6.4
271.09586	7.6
275.23849	1.2
276.07709	1.7
277.08618	1.8
277.22906	2.8
279.10126	1.7
281.08136	2.6
283.09763	1.4
287.23672	4.4
291.10159	12.3
293.24704	4.5
296.10446	1.5
297.10986	1.1
305.24753	17.6
309.07657	1.5
309.11292	1.9
311.12842	2.1
323.09332	1.6
323.12604	8.7
323.25797	12.4
341.10059	8.7
341.14001	10.3
341.26932	1.8
344.30600	1.2
355.88342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.18082	0.8
62.61966	0.9
64.78470	0.9
65.03944	1.0
67.05480	1.1
69.03394	1.0
69.71368	5.5
70.06589	1.8
71.05000	2.2
79.05488	1.5
81.03403	1.7
81.07061	1.7
84.04482	1.0
84.08139	4.0
86.09693	1.9
87.95185	0.9
91.05478	4.9
93.03418	1.1
94.04181	4.2
95.04962	2.1
97.02886	1.5
98.20760	1.6
103.05460	5.5
105.04456	0.9
105.07014	1.4
107.04948	4.1
109.02882	1.2
109.06517	2.6
111.06912	1.0
114.30282	0.9
115.05457	2.2
119.04913	2.9
121.06552	1.6
121.10056	0.9
122.03661	9.0
123.04382	1.8
125.05997	1.1
128.06216	2.8
129.07005	9.8
131.04929	12.3
131.08574	2.4
133.02843	4.4
135.04398	1.4
137.05981	100.0
138.05464	1.3
143.04947	1.1
143.08554	1.2
144.05708	3.7
145.06468	2.8
146.07243	1.2
147.04376	1.6
149.05951	3.8
151.03873	2.5
151.07568	5.0
153.05421	1.7
157.06522	6.9
158.07274	1.9
160.05185	1.9
161.05974	2.4
161.09564	2.2
163.07547	6.0
165.05531	4.6
171.08058	2.2
172.05203	7.9
173.05971	1.5
174.06783	14.8
175.07516	10.4
177.05495	3.5
177.09077	1.2
179.07066	1.8
187.07547	55.9
188.08264	2.0
189.09114	18.9
191.06958	2.1
191.08566	5.3
196.05280	1.4
199.07558	6.3
202.07762	3.5
203.08585	12.3
205.06528	3.0
205.08507	1.4
206.07330	1.1
208.08839	2.4
211.07555	8.2
217.08597	29.9
218.07222	1.8
219.08054	9.2
220.08839	5.5
221.05859	1.2
221.09467	1.4
225.09149	1.2
226.06082	1.0
227.06995	8.1
231.08112	14.5
232.08824	4.0
233.05916	2.2
233.09608	2.6
234.06706	1.0
235.07515	3.2
236.08192	4.5
237.09113	3.5
239.07005	6.1
240.07747	4.7
247.07576	9.9
248.08366	20.4
249.05330	1.2
249.09097	3.8
250.09999	1.1
251.08020	1.3
251.10616	8.1
253.08618	2.9
255.06557	7.5
256.07263	3.5
258.02875	1.1
259.07547	3.9
260.08356	3.1
261.09131	3.9
262.09937	1.7
263.10684	21.6
264.07837	4.8
265.08621	5.4
268.07278	2.0
269.08099	2.1
270.08853	12.2
271.09659	19.8
275.07391	1.2
276.07828	9.8
277.08545	6.2
279.10187	16.9
280.10941	2.7
281.08096	4.5
281.11514	1.9
283.09662	5.9
291.10156	45.1
292.10864	4.3
293.08197	6.5
293.11194	1.5
295.09793	1.9
296.10483	12.4
297.11279	2.0
305.11588	1.4
308.10468	5.7
309.11200	1.8
311.12781	22.1
323.12796	50.8
341.09976	2.2
341.13815	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.40115	0.8
55.05513	11.6
57.03419	4.7
57.07069	3.0
58.66867	1.0
59.04988	1.5
60.90237	1.1
65.03943	1.9
67.05507	34.9
69.03411	3.4
69.07072	16.7
69.96288	5.5
70.06609	1.4
71.04980	4.4
79.05515	6.0
81.03429	1.3
81.07056	65.4
83.04994	2.1
83.08219	1.4
83.08623	12.5
85.06541	6.9
91.05460	6.9
93.07040	15.3
94.04167	2.0
95.04961	2.9
95.08606	29.1
97.06528	4.9
97.10164	2.6
98.20880	1.3
99.04452	2.3
99.08086	5.4
100.11263	5.9
101.06013	3.4
103.05444	4.4
105.07024	10.5
107.04939	1.8
107.08599	14.5
109.06500	3.9
109.10158	100.0
110.10422	1.0
111.04457	1.3
111.08086	3.6
113.09642	1.2
115.07514	1.4
119.08594	7.1
121.06525	1.8
121.10133	8.6
122.03603	1.7
123.08062	2.6
123.11706	32.9
125.09617	2.5
127.11167	8.6
129.06952	2.2
131.04936	8.7
131.08560	2.4
133.10126	5.4
135.11710	7.0
137.05981	26.5
137.09613	4.1
137.13235	4.1
139.11171	4.5
141.12733	2.4
142.05305	1.1
143.04967	2.2
145.10115	3.4
147.04367	3.0
147.11696	6.0
149.05942	1.4
149.13228	3.7
151.07489	2.6
151.11250	1.6
151.14793	2.1
153.05460	4.8
153.12723	3.0
155.10646	7.7
155.14256	1.4
159.11726	2.2
160.05095	1.2
161.05998	2.6
161.09598	3.1
161.13289	2.8
163.07535	4.0
163.11147	1.8
163.14812	1.3
165.12744	3.7
167.14284	2.2
169.12265	1.6
172.05066	1.3
173.11769	2.1
173.13243	1.8
174.06860	1.6
175.07541	5.5
175.14857	1.7
175.61032	1.0
177.12651	1.4
179.07037	1.6
179.14313	1.9
187.07579	5.7
187.14764	1.3
189.05479	3.7
189.09073	3.5
203.08554	2.4
204.22050	1.3
210.14862	1.5
211.07559	3.4
217.08528	1.9
219.08028	2.2
220.08855	1.9
227.07047	4.9
227.67470	1.2
231.07947	2.6
239.07027	2.7
240.07741	1.3
247.07481	1.2
248.08272	4.5
251.10568	1.4
255.06454	3.0
259.07541	1.9
262.06317	1.1
263.10617	4.1
264.07803	1.1
266.05826	1.4
269.22638	1.8
270.08893	6.4
271.09586	7.6
275.23849	1.2
276.07709	1.7
277.08618	1.8
277.22906	2.8
279.10126	1.7
281.08136	2.6
283.09763	1.4
287.23672	4.4
291.10159	12.3
293.24704	4.5
296.10446	1.5
297.10986	1.1
305.24753	17.6
309.07657	1.5
309.11292	1.9
311.12842	2.1
323.09332	1.6
323.12604	8.7
323.25797	12.4
341.10059	8.7
341.14001	10.3
341.26932	1.8
344.30600	1.2
355.88342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.16922	0.1
57.03432	0.3
61.02921	0.3
69.03426	0.8
70.06580	0.2
70.23818	0.3
70.24213	0.2
73.02911	0.2
76.55092	0.2
77.01319	0.2
77.03915	0.3
81.03425	0.5
85.02906	2.2
89.03908	0.3
91.03936	0.2
95.04974	0.1
97.02901	1.0
99.04462	0.2
103.05487	0.3
105.03400	0.4
109.02874	0.5
117.03394	0.4
123.04433	8.9
127.03858	0.2
131.04929	0.4
133.02858	8.6
135.04416	1.7
137.05966	1.8
145.04991	0.2
151.02762	0.2
151.03911	3.1
156.22842	0.2
163.03888	0.2
163.07529	0.3
174.06784	0.2
177.05460	0.2
179.03400	100.0
180.03754	0.8
187.07538	0.6
189.09076	0.3
204.65025	0.2
211.07568	0.2
227.07074	0.2
231.07961	0.2
239.07001	0.2
248.08315	0.3
255.06595	0.2
263.10764	0.3
270.08884	0.7
271.09586	0.4
279.10098	0.3
291.10150	0.7
305.11719	0.2
311.12674	0.2
323.12680	0.5
341.08630	1.9
341.13644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
53.62137	1.2
55.01885	6.1
57.03444	5.9
61.02920	5.3
68.99785	1.6
69.03438	33.1
70.05500	2.0
70.05846	5.2
71.04978	4.8
73.02932	6.4
81.03426	20.6
83.01327	1.1
85.02914	100.0
87.00842	51.9
97.02904	33.0
99.04463	11.8
105.01877	87.9
109.02891	26.7
115.03977	1.5
117.01840	2.2
118.47381	1.3
122.22136	1.2
127.03928	72.4
128.04333	1.7
128.94731	1.1
129.01837	2.9
130.05025	2.7
137.05942	1.7
140.94040	1.1
143.10634	1.7
145.04979	36.2
147.02882	1.8
148.45227	1.1
159.02892	11.0
189.03990	4.3
213.03908	2.1
231.05014	24.6
249.06100	8.3
340.21854	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69341	0.3
56.96568	1.4
57.03481	0.3
69.03426	0.7
70.06603	0.9
70.31055	0.9
71.08636	19.2
72.08154	0.3
73.06543	0.3
81.07073	0.3
84.08152	0.8
85.02925	0.6
86.09711	0.4
88.11275	100.0
97.02877	0.7
98.20821	0.5
98.97596	1.3
110.07187	0.4
110.76786	0.3
114.70476	0.3
120.08103	0.7
137.05978	0.5
147.04378	0.5
148.04724	0.5
158.99683	0.5
163.03940	0.3
171.79669	0.3
178.05087	0.6
179.03366	0.5
207.11302	0.5
219.01694	0.5
291.10278	0.4
309.08640	0.5
316.62662	0.3
340.06213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81842	4.0
55.01865	5.3
55.05505	13.1
57.03421	8.3
62.43969	4.3
64.91431	4.2
67.05505	51.4
69.03411	4.2
69.07071	8.6
71.05005	4.8
79.05491	18.5
81.07063	56.6
83.04980	21.8
85.06545	9.1
91.05476	32.4
93.07038	25.4
95.04986	8.3
95.08594	16.0
105.07034	38.7
107.08606	35.8
109.06535	6.5
109.10150	60.5
119.08618	4.9
121.10136	7.0
123.11712	16.3
131.08597	7.1
133.06496	7.5
133.10138	94.0
137.06000	8.4
147.11690	5.6
149.09621	4.9
151.11192	100.0
161.09492	5.7
177.09119	5.2
179.10696	16.0
183.13786	43.9
187.07658	5.5
201.04280	5.0
229.38501	5.3
270.08798	6.1
291.19708	11.0
305.21246	7.9
323.12601	6.2
336.62030	4.9
340.28915	7.0
340.39502	9.2
363.09128	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	340.2849
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05510	9.0
56.05032	1.2
57.03432	1.0
57.07065	3.1
60.04533	22.2
60.77052	0.8
67.05250	0.8
67.05515	10.2
69.03446	0.9
69.07075	14.4
69.85699	4.5
70.06624	1.0
71.08617	1.6
79.05502	1.9
81.07054	10.6
83.08630	12.6
83.36290	0.8
85.10156	0.9
87.04475	1.0
91.05482	2.9
93.07038	2.6
95.08609	10.3
97.06490	1.0
97.10178	6.3
105.07039	2.5
107.08583	2.6
109.10171	6.9
111.08048	1.1
111.11726	1.9
119.08574	2.8
121.10152	2.6
123.08057	1.4
123.11692	2.0
133.10158	3.8
135.11623	1.4
137.06049	1.4
137.09584	1.7
137.13275	0.9
142.15935	8.7
147.11687	2.3
154.12271	3.5
161.13290	1.9
165.12798	1.0
172.13345	2.4
175.14787	1.8
187.07568	1.3
189.16510	0.8
212.39619	0.9
237.95131	0.8
245.22644	2.2
263.23715	3.5
270.08929	1.0
271.09573	1.4
280.26346	8.6
291.10007	1.4
298.27383	11.8
322.27496	2.2
323.12622	1.0
340.28497	100.0
341.28848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.4
53.03938	4.9
55.01876	17.6
55.05274	2.1
55.05515	28.9
57.03445	16.5
57.07062	2.3
59.00061	1.5
59.31823	1.4
61.06254	1.4
65.03932	2.8
67.05510	53.9
67.83431	1.4
69.03430	10.8
69.07074	41.8
71.04986	8.4
71.52208	2.6
79.05497	57.3
81.03428	8.3
81.07061	100.0
83.04976	7.7
83.08626	14.9
85.02901	3.6
85.06527	4.2
91.05485	47.6
93.06488	3.1
93.07056	51.7
95.04974	18.2
95.08611	58.1
97.02899	43.0
97.06541	24.4
97.10199	5.2
99.04458	8.2
99.08080	4.2
103.25442	1.5
105.07032	37.7
107.04958	14.7
107.08599	35.2
108.77625	1.6
109.02857	1.9
109.06531	24.5
109.09480	2.1
109.10167	29.1
111.04491	3.8
111.08101	9.0
115.05412	2.0
117.07014	14.6
119.04967	8.0
119.08587	32.2
119.14700	1.4
120.56129	1.6
121.06556	7.9
121.09338	2.2
121.10154	30.6
123.04453	2.4
123.08073	12.0
123.11731	11.7
125.05989	2.4
125.09628	5.1
127.03917	1.7
129.06990	4.5
130.07849	2.2
131.08585	22.5
133.06526	7.7
133.10150	21.1
135.08041	21.1
135.11697	9.8
137.05945	6.1
137.09634	30.3
139.07545	2.4
139.11240	9.6
141.06956	4.0
143.07040	2.4
143.08589	4.5
144.08051	3.4
145.02884	3.7
145.06487	2.5
145.10132	22.4
147.04442	7.8
147.08055	5.6
147.11678	7.7
149.09625	32.3
149.13240	2.7
151.03873	2.0
151.07527	3.5
151.11230	8.0
153.09094	3.2
153.12784	2.3
155.08574	3.2
155.10660	4.0
157.10150	3.8
159.08058	4.1
159.11728	7.8
161.08394	2.5
161.09581	12.7
161.13216	2.6
163.07541	3.7
163.11195	14.8
165.09122	23.9
167.10681	4.1
169.10080	3.2
171.08168	2.2
171.10179	2.1
171.11668	3.0
173.09636	3.4
173.13274	4.7
175.03915	12.0
175.14784	1.6
177.05452	7.3
177.09114	4.2
177.12810	2.2
177.16399	3.0
179.10635	9.1
183.10168	3.5
183.11691	3.4
185.13240	3.0
187.11200	5.0
187.14789	6.3
195.09978	2.2
201.11163	2.6
201.16397	13.9
203.17754	2.4
205.15968	2.0
207.06546	23.5
207.10156	1.5
211.14795	5.4
217.10565	1.8
219.17482	9.9
229.12236	3.2
229.15915	13.3
246.15489	1.7
247.13257	3.4
247.14302	2.5
247.16916	31.0
265.17831	7.7
299.99283	1.6
303.23395	2.0
307.09491	3.6
321.20584	21.3
321.24261	4.8
339.08594	2.6
339.12271	5.9
339.21671	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
53.90472	2.8
55.01867	10.1
55.05522	16.2
57.03424	10.3
57.07082	6.6
67.05511	38.2
69.03422	8.0
69.07076	34.2
70.30304	2.9
71.05003	13.9
71.52741	3.0
74.85439	3.3
79.05493	35.1
81.03428	18.0
81.07064	45.0
83.04975	11.4
83.08614	7.7
83.60943	2.6
84.08128	3.2
84.89216	2.4
85.02892	2.7
85.06532	4.2
86.44006	2.5
91.05486	44.6
93.07053	48.2
95.04989	21.3
95.08611	26.9
97.02898	3.8
97.06518	12.9
103.05459	4.0
104.97279	2.6
105.07034	41.2
106.41671	2.7
107.04941	13.0
107.08606	30.7
109.02861	3.6
109.06507	10.8
109.10163	17.6
110.26321	2.5
111.04398	3.8
111.08088	3.1
115.05454	4.8
117.07020	16.4
119.08597	25.9
121.06554	12.7
121.10145	27.4
123.04429	10.6
123.08066	14.6
123.11749	6.2
125.09625	3.1
127.03868	3.0
128.06279	4.5
129.07022	8.9
131.08578	44.7
131.10127	2.8
133.10139	22.9
135.04384	3.1
135.08049	8.1
135.11736	14.2
137.06061	3.6
137.09604	9.1
139.11302	3.2
139.20679	2.5
141.06985	9.4
143.08562	11.2
145.06470	6.0
145.10143	36.3
147.04340	4.8
147.08046	8.7
147.11688	15.0
149.09636	30.5
149.13271	3.4
150.06197	2.6
151.07486	4.9
151.11194	14.8
153.06975	8.3
155.08554	8.7
157.10112	6.4
159.08080	4.6
159.11681	17.3
161.05978	5.9
161.09607	6.8
163.03967	13.0
163.11205	32.8
165.06950	6.0
165.09140	3.9
166.07797	8.1
167.08578	11.1
169.06490	5.8
169.10176	7.8
173.06001	26.3
173.09674	10.8
173.13205	4.7
174.06746	14.3
175.07574	9.7
175.11197	5.0
175.14804	3.7
175.43225	2.6
175.51076	3.0
177.05371	3.1
177.12759	31.4
179.08589	9.4
179.10686	12.7
181.06493	10.5
181.10188	12.7
183.08070	3.7
185.13371	7.0
186.06804	4.2
187.07542	22.0
187.11270	5.1
187.14798	4.9
188.08345	36.9
189.08975	3.3
189.12788	4.7
191.08580	6.0
191.10713	7.3
193.06448	3.4
193.10121	2.6
193.12325	4.0
194.07297	5.4
195.08102	16.1
197.05971	10.0
198.06755	11.8
199.07523	17.4
201.09117	7.7
201.12750	3.0
201.16441	12.4
207.08078	5.9
208.08807	6.2
209.09712	22.3
209.11588	5.2
210.06754	4.3
211.07526	25.9
211.14816	9.3
212.08284	10.7
213.09131	11.2
215.07072	4.1
219.07948	5.0
219.17506	18.9
223.07549	9.5
223.11151	3.6
225.09135	27.5
226.06367	13.6
226.09969	13.6
227.07158	5.2
227.10712	26.0
229.08484	3.1
229.15923	18.9
233.09448	5.9
235.07642	5.6
236.08331	6.9
237.09164	13.4
239.07024	18.5
239.10696	10.2
240.11520	6.5
241.08572	6.0
241.12321	9.5
245.31664	2.9
246.10451	4.1
247.16965	55.0
249.09048	6.5
250.09830	9.2
251.10670	8.7
251.14317	11.6
254.09340	7.3
254.13089	17.1
255.10110	21.5
255.13774	5.6
263.07056	3.2
264.11383	7.2
265.11975	4.2
265.18015	40.3
267.13776	4.7
268.10910	11.7
269.08411	3.2
269.11673	9.2
269.15378	33.4
278.09351	3.5
279.13800	25.2
283.09564	3.1
283.16968	9.0
293.15271	15.9
295.13336	9.2
297.14847	89.1
297.18228	4.8
298.14667	2.9
311.16406	25.2
321.14630	7.1
321.20639	72.5
321.24316	4.5
339.15866	100.0
339.21683	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01876	16.1
55.05279	1.7
55.05516	26.3
57.03441	22.1
57.07060	2.7
65.03944	2.7
67.05507	57.7
69.03434	10.2
69.07072	48.8
69.42228	10.3
71.04999	9.8
71.08636	1.8
72.08160	2.5
79.05501	56.8
81.03420	9.8
81.07061	100.0
83.04988	8.7
83.08627	16.3
85.02909	2.7
85.06555	2.6
91.05486	49.4
93.07047	55.1
95.04974	17.4
95.08607	58.3
97.02896	17.3
97.06538	21.9
97.10183	3.8
99.04458	7.2
99.08067	5.0
103.05468	3.0
103.50161	1.6
105.07038	37.8
107.04958	19.0
107.08598	39.4
109.06524	23.3
109.10165	25.1
111.08093	8.4
111.11678	2.2
113.05956	2.7
115.05482	2.5
117.07032	18.1
119.04906	3.5
119.05959	1.6
119.08585	32.0
121.06499	8.7
121.10151	34.3
123.08099	13.5
123.11711	12.0
125.05997	2.7
125.09626	5.4
127.07605	1.9
128.06252	2.1
129.05478	1.9
129.07047	4.3
131.08560	25.9
133.06461	4.8
133.10129	25.3
135.08054	23.7
135.11693	8.2
137.05986	5.0
137.09628	26.6
137.13245	2.0
139.07460	1.6
139.11198	7.4
141.06990	3.9
143.07056	3.4
143.08556	6.9
144.08060	2.5
145.06450	3.2
145.10141	26.1
147.04436	3.4
147.08044	5.6
147.11682	6.2
148.07674	1.6
149.09631	36.4
149.13260	4.0
151.03964	2.4
151.07559	3.7
151.11185	7.2
153.09116	4.4
155.08542	3.5
155.10670	4.0
157.10144	3.0
159.08070	4.5
159.11684	9.1
161.08232	2.4
161.09601	13.0
161.13219	2.9
163.07587	3.6
163.11197	12.2
163.14781	1.7
165.09125	18.5
167.10722	5.1
169.10158	5.5
171.10170	1.9
171.11670	3.8
173.09612	2.7
173.13284	5.4
174.71602	1.7
175.03874	2.5
175.11188	2.7
177.05470	2.4
177.09109	6.3
177.12787	2.0
177.16319	1.9
179.10703	4.9
181.10143	2.2
183.10100	5.0
183.11707	3.3
185.13222	4.5
187.07527	1.8
187.11235	2.3
187.14781	4.9
189.09082	1.6
191.10728	1.9
193.12338	1.6
195.10181	2.0
201.16397	12.8
203.14435	1.8
207.06468	5.2
211.14816	7.3
219.17477	10.5
229.12285	3.6
229.15901	16.8
237.18346	2.1
243.64026	1.6
247.13277	1.6
247.14389	2.7
247.16940	35.7
265.17987	8.6
279.39221	1.7
307.09662	2.1
321.20703	23.6
321.24207	4.4
339.08759	3.0
339.12488	4.8
339.21707	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	339.2168
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
53.03948	1.9
55.01876	7.2
55.05520	10.5
57.03448	7.9
57.07074	2.3
65.03952	1.5
67.05186	1.8
67.05512	25.9
69.03429	3.0
69.07073	19.8
70.80158	3.2
71.04983	4.7
75.58830	0.9
79.05500	25.3
81.03418	2.4
81.06588	1.9
81.07061	29.3
83.04990	9.8
83.08616	3.5
85.06566	1.5
91.05486	31.0
91.10281	1.2
93.07056	36.9
95.04976	10.2
95.08617	20.8
97.02910	9.0
97.06542	9.0
97.10150	1.1
99.04446	1.8
99.08100	1.5
103.05476	1.2
105.04581	1.3
105.07036	33.2
107.04974	9.9
107.08602	23.0
109.06537	8.0
109.10153	9.4
111.04455	1.6
111.08056	2.5
117.07027	14.7
118.73268	1.1
119.08598	21.2
121.06518	11.5
121.10155	19.9
123.04456	2.7
123.08118	7.5
123.11712	3.6
125.05950	1.1
125.09637	2.2
128.06186	2.1
129.07024	5.8
130.07828	2.0
131.08586	29.4
133.06497	4.2
133.10136	20.4
135.08075	10.3
135.11699	12.6
137.06036	1.5
137.09630	8.9
139.11099	1.7
140.89301	1.0
141.07022	1.3
143.08604	5.8
144.09328	1.3
145.06502	2.3
145.10141	38.5
147.08061	7.5
147.11711	8.4
149.06030	2.4
149.08453	1.2
149.09633	24.2
149.13312	1.3
151.07573	1.6
151.11211	9.6
155.08582	5.6
155.82678	1.2
157.10135	3.5
159.08017	2.0
159.11699	12.5
161.09630	7.7
161.13269	2.7
163.11197	31.1
165.09148	5.4
169.10130	6.1
171.11723	2.2
173.09613	8.4
173.13306	2.7
175.11237	3.6
175.14825	2.5
177.05511	1.4
177.12758	4.4
177.16431	2.5
179.10703	11.5
183.11714	2.9
183.32141	1.1
185.13277	3.6
187.11263	8.3
187.14844	9.0
189.12801	2.4
191.10672	7.8
191.14204	1.1
191.17947	1.2
197.11745	1.1
201.16388	12.8
203.14311	2.4
205.12369	1.9
205.15877	2.2
207.13950	1.2
209.11751	3.4
211.14879	6.3
219.17471	18.9
229.15910	21.8
247.16954	45.8
265.18011	38.8
285.68353	1.3
314.12299	1.3
321.20642	63.2
321.24011	2.2
339.05780	1.7
339.21698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
50.81445	0.3
65.03949	0.8
67.01323	0.3
67.05489	0.3
69.83155	1.0
69.83559	0.6
70.06596	0.5
76.88206	0.3
83.04991	1.0
84.08132	0.4
85.02911	0.6
88.92901	0.3
91.05483	8.9
97.02885	0.4
98.97550	0.3
111.04478	0.5
119.04945	23.6
137.44122	0.4
141.12625	0.3
147.04413	100.0
148.04704	0.7
165.05424	0.4
309.70239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67490	0.3
56.93109	0.3
57.03431	0.4
65.03955	2.2
67.05506	0.5
69.39545	2.1
69.39948	0.6
70.06583	0.7
75.46515	0.4
79.05495	0.6
79.35424	0.4
81.03425	1.0
81.07072	0.5
83.04989	0.6
84.04472	0.5
84.08138	0.4
85.02886	0.8
91.05486	32.1
91.17726	0.4
95.04993	0.4
97.02901	1.6
107.04903	0.7
111.04462	0.5
119.04949	25.8
136.06206	0.9
147.04417	100.0
148.04767	0.5
151.03914	0.5
151.07611	0.6
177.05461	0.8
177.09183	0.7
205.12267	0.5
279.10037	0.4
304.86810	0.4
339.08725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92882	1.1
55.05515	1.4
56.05025	1.8
56.67269	1.0
60.04514	1.0
61.01149	0.9
65.47955	0.9
65.98935	0.8
67.05498	2.5
69.03458	1.1
70.06593	3.2
71.04983	2.2
71.41045	1.8
72.08147	4.9
74.06074	1.2
74.09407	0.8
79.05511	4.5
80.76005	0.9
81.03429	1.2
81.07058	7.9
84.04509	1.9
84.08160	8.2
85.06545	2.6
86.09720	1.6
86.76914	1.0
91.05463	6.0
92.05842	1.0
93.05794	1.3
93.07053	1.4
94.06578	2.5
96.08141	3.0
97.02907	1.5
97.06530	2.5
104.05313	1.6
106.06585	2.1
108.08136	2.2
109.06522	1.4
110.06043	9.1
112.07622	1.1
112.08728	1.0
117.03380	4.5
119.04967	5.5
120.04499	1.4
120.05315	1.4
122.06033	21.5
123.06808	2.8
124.07592	15.9
134.06024	17.0
135.04395	1.1
136.07585	95.4
137.05917	1.2
137.07930	13.5
138.05534	1.1
138.09160	1.1
140.07037	5.1
141.12756	1.9
145.02852	11.8
147.04417	17.1
149.06038	1.3
150.05496	5.8
152.07068	94.6
163.03929	3.3
164.07077	100.0
166.08626	2.3
168.06604	2.2
170.08144	13.1
172.11246	1.0
177.05466	18.3
177.14993	1.0
182.08144	31.3
191.07033	1.3
193.09714	6.7
194.10057	11.6
200.10890	1.6
203.03455	2.1
214.12347	1.5
217.34686	1.1
219.06551	3.1
221.09254	1.1
222.09633	2.2
232.13295	1.6
240.12724	1.0
242.11769	2.4
246.31001	0.9
251.09128	8.3
260.12881	5.9
285.12427	3.0
293.15012	2.9
303.13400	63.4
321.14432	20.0
339.15424	3.9
339.19211	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.6
55.72465	1.1
56.05030	1.4
57.03435	1.2
57.07070	2.4
59.90613	1.0
62.64323	1.0
65.80972	1.0
67.05509	28.4
69.03423	3.4
69.07050	2.0
70.06584	7.1
70.09319	3.7
71.04997	80.7
72.08163	3.5
74.02431	1.2
79.05492	6.8
81.03415	2.8
81.07059	67.2
83.06087	3.6
84.04500	3.2
84.08148	10.9
85.02911	10.1
85.06548	14.3
86.09713	6.3
89.03931	2.4
91.05486	7.8
95.01339	2.1
95.04967	1.4
95.06096	2.8
95.08639	6.0
97.02866	2.0
97.06546	3.3
97.10211	1.4
98.97567	1.4
99.08077	5.4
103.05447	2.0
105.07030	3.7
107.04906	2.1
107.08641	1.5
110.06036	1.9
110.07172	2.9
111.04379	1.6
112.08728	1.5
113.59916	1.0
115.05525	1.2
117.03372	4.3
119.04953	16.2
120.08078	2.4
121.02927	1.7
122.06026	5.9
123.04456	2.4
123.11711	19.1
124.07573	1.7
129.10228	2.9
130.08652	1.5
131.04910	3.0
133.06520	3.3
135.04399	8.6
136.07576	6.0
137.07930	2.0
138.05466	1.6
141.12743	100.0
145.02829	5.7
147.04413	81.9
149.02336	2.6
150.05507	3.8
151.03938	1.5
152.07109	2.6
154.08626	1.6
158.08153	1.4
159.04333	1.1
159.13806	53.0
162.04228	1.5
162.05466	1.2
163.03908	38.2
163.07520	1.3
164.07077	2.9
165.05513	1.7
175.03926	3.1
177.01926	2.3
177.05441	9.5
177.14864	35.8
180.06516	1.3
182.08118	3.1
187.03975	2.1
189.05449	2.0
191.07137	1.6
196.14430	3.8
198.56006	1.1
201.11066	1.1
201.93576	1.1
203.03395	50.1
203.64323	1.1
205.05006	2.9
207.06549	2.1
213.05411	1.1
215.03365	3.8
216.12236	1.1
219.02954	1.3
219.06487	2.6
224.14082	1.2
225.87030	1.0
229.04932	1.9
231.02902	6.8
233.04314	1.8
247.07472	1.2
251.09157	1.6
261.03949	4.6
279.04974	5.9
291.05139	1.3
293.14914	3.6
303.13434	2.7
307.09421	2.2
321.10892	1.7
321.14377	2.1
323.19733	1.1
339.07803	2.4
339.11841	1.9
339.15390	7.5
339.19418	2.6
340.22253	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05523	2.0
58.20268	0.7
59.02161	0.7
59.27560	0.7
67.05508	2.8
69.03434	1.0
69.07069	2.4
71.04986	1.3
71.52649	0.9
72.08161	0.8
79.05489	5.3
81.03429	1.5
81.07053	6.6
83.04987	1.1
91.05493	10.6
93.07042	5.8
95.04970	1.7
95.08615	6.1
97.02885	6.7
97.06556	1.6
99.04469	2.1
103.05470	8.5
105.07024	9.4
107.04957	2.2
107.08620	2.3
109.06537	1.5
109.10165	1.7
110.19543	0.7
111.08134	0.9
115.05469	0.8
116.06223	1.2
117.03362	1.1
117.07028	1.6
119.04989	0.9
119.08608	1.4
121.06524	2.4
121.10181	1.6
123.08112	0.9
123.11746	3.1
128.06221	0.8
129.07050	2.3
131.04944	12.4
131.08569	17.2
133.06537	1.1
133.07616	0.7
133.10126	4.1
135.11749	2.2
135.12901	0.7
137.05997	1.5
137.09641	1.2
141.07019	2.4
144.05740	1.9
145.02875	1.4
145.10156	2.2
147.04439	1.3
147.08055	0.9
149.06026	5.9
149.09673	1.1
149.13353	1.3
155.05563	1.0
155.51210	0.8
157.01091	14.2
157.10204	0.8
159.08070	19.3
159.11798	0.9
161.05826	0.9
161.09605	3.9
163.11205	1.0
165.09161	1.7
175.03906	1.0
177.04178	0.9
177.05557	2.6
177.06966	1.2
177.09108	6.0
179.10698	1.1
187.07544	10.3
191.08699	1.0
195.08546	0.8
205.06563	6.1
205.08490	7.4
207.06461	1.4
208.09056	0.9
218.07434	0.8
219.08107	1.4
221.06062	1.2
223.07468	1.2
223.09604	13.9
233.06078	3.1
236.04730	1.3
236.08380	1.3
241.09221	7.7
247.07639	2.0
249.09384	1.1
250.06514	2.8
259.10333	3.8
261.09030	1.1
263.07166	0.9
266.82385	0.8
277.09048	0.9
278.05914	2.3
279.06705	1.9
279.10248	1.7
281.04593	1.5
292.93558	0.9
307.06570	1.1
307.09760	4.0
311.12784	0.9
313.11508	0.8
321.09940	2.7
339.10654	100.0
340.11194	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	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03947	1.4
53.79696	0.3
55.01875	0.4
55.05503	0.3
57.03431	0.8
61.02914	0.4
65.03946	3.3
67.05505	0.7
68.99779	0.4
69.03088	0.4
69.03434	5.8
69.07108	0.3
70.06596	0.7
70.44453	0.6
71.05000	1.2
73.02921	0.3
80.22241	0.2
81.03419	9.1
81.07042	0.8
83.04980	0.4
83.08613	0.4
84.04513	0.4
85.02910	4.9
85.06532	0.3
86.09718	0.6
87.00844	1.7
91.05485	100.0
93.07035	0.5
97.02896	2.0
97.06544	0.3
99.04440	2.6
103.05452	0.3
105.01864	0.5
105.07047	0.4
107.08597	0.3
109.02884	6.8
109.06481	0.4
111.04467	0.4
117.07018	0.7
120.08082	0.4
121.06461	0.3
122.06061	0.3
123.04446	0.3
127.02981	0.6
127.03924	11.6
129.05434	0.3
131.04901	0.4
131.08522	0.4
133.06456	0.3
137.05994	0.8
143.08557	0.6
145.02806	0.4
147.04401	0.6
147.36861	0.3
151.03868	0.5
159.11772	0.3
162.05513	0.4
171.08084	0.4
173.05971	0.3
177.05450	1.0
199.07481	0.4
217.08575	0.4
231.05025	0.8
233.12970	0.6
261.12320	0.5
279.13474	0.5
303.04919	0.5
321.10873	0.4
321.14398	0.4
339.08636	0.6
339.12036	0.5
339.15399	0.8
353.66974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.81351	0.3
56.05020	0.4
56.87524	0.3
56.96544	0.3
61.02931	0.4
67.05504	0.9
69.03429	0.5
69.07069	0.4
70.06597	2.1
71.01344	0.5
71.04995	0.3
71.31853	0.4
72.08156	1.0
74.21632	0.3
77.03942	0.4
79.05480	1.1
81.03438	0.4
81.07069	1.4
83.01319	0.4
84.04497	0.8
84.08131	1.4
84.48547	0.3
85.02882	1.4
85.06538	0.5
86.09694	1.6
89.03906	3.7
91.05477	2.6
93.07017	0.3
95.01345	1.8
95.04980	0.5
95.08632	0.4
97.02892	0.7
97.06515	0.4
101.02437	0.4
103.05463	1.8
105.06992	0.3
107.04955	1.8
109.02876	0.3
110.06001	0.3
110.07171	0.7
111.04445	0.5
115.05450	0.5
117.03387	5.1
119.04919	3.1
119.08677	0.3
120.08105	0.6
121.02850	1.8
121.06549	0.6
122.06001	0.9
123.04418	3.7
128.06177	0.4
129.03381	0.6
129.10269	0.6
130.06514	0.5
131.04922	4.0
132.04454	0.3
133.06435	0.5
134.69304	0.3
135.04411	17.1
136.07576	1.2
137.05954	0.5
138.05537	0.5
139.03946	0.6
141.01826	1.3
141.06923	0.3
141.12744	0.7
143.04936	0.8
145.02846	6.4
145.03989	0.4
145.06421	0.6
147.04408	36.9
148.03911	0.9
149.02348	6.0
149.05949	1.6
150.05467	0.5
151.03882	0.7
152.05702	0.3
152.07047	0.7
153.05414	0.3
154.08672	0.6
155.04958	0.4
157.02902	0.4
157.06470	0.3
159.04402	2.4
159.13811	0.6
161.05959	1.8
162.03192	0.4
163.03899	80.0
164.04420	0.9
165.01913	0.3
165.05476	1.1
165.50551	0.3
166.04987	1.7
167.07010	0.4
171.04417	0.4
173.05997	0.9
175.03908	4.5
176.07071	0.3
177.01839	5.8
177.03929	2.0
177.05232	3.8
177.09006	0.4
180.06569	0.5
181.04942	0.5
185.02327	0.4
185.05943	0.8
187.03874	3.8
189.05469	2.2
191.03346	1.2
191.07025	0.8
193.04935	0.6
195.02884	0.8
199.03984	0.5
201.05457	1.0
203.03389	100.0
204.03722	1.0
205.04947	6.2
205.06734	0.5
213.05437	1.3
215.03389	7.7
216.03998	0.4
217.04950	0.9
219.02930	1.8
219.06535	1.2
221.04527	0.6
229.04979	2.5
231.02890	14.0
231.06438	0.4
232.03650	0.5
233.04411	5.5
247.06068	0.7
257.04388	0.9
259.05988	0.8
261.03949	7.7
272.17319	0.4
275.05466	0.8
279.04980	11.9
279.08148	0.7
289.11676	0.3
291.04984	7.2
303.04922	1.0
303.13315	0.4
321.06055	1.2
321.14520	0.4
339.07086	6.1
339.11386	0.6
339.15546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74941	0.3
55.01871	1.2
58.04589	0.3
64.96245	0.4
70.06602	1.0
70.38401	1.2
71.01337	0.5
72.08144	0.9
77.03930	0.4
79.05482	0.8
85.02911	1.0
89.03932	2.5
91.05500	1.0
95.01341	1.6
97.02894	0.4
97.06526	0.4
98.06876	0.3
98.20829	0.5
103.05473	2.0
107.04947	1.4
115.05457	0.7
117.03386	4.7
119.04233	0.4
119.04934	2.1
119.05684	0.3
121.02866	1.5
123.04440	3.3
129.07021	0.4
131.04924	2.7
135.04431	12.7
136.07597	1.0
139.03934	0.7
139.90892	0.4
141.01849	0.5
143.04929	0.4
145.02863	7.6
145.06488	0.5
147.04428	29.1
149.02341	5.5
149.05975	1.6
151.03998	0.5
152.07085	1.5
157.02829	0.5
159.04420	1.4
161.05963	1.1
162.03119	1.2
163.03920	65.4
164.04625	0.4
164.07103	1.7
165.05530	0.9
170.90300	0.4
171.04390	0.4
173.06017	0.9
175.03914	4.3
177.01878	5.8
177.03958	1.4
177.05443	8.4
179.05363	0.4
182.08105	0.5
185.05934	0.9
185.09579	0.5
187.03874	2.9
189.05449	2.2
191.03476	0.7
191.07101	0.5
193.04994	0.9
195.02873	0.7
201.05450	0.9
202.12392	0.6
203.03412	100.0
204.03780	1.3
205.04993	5.1
207.04756	0.4
213.05475	1.0
215.03398	6.9
217.04909	0.4
219.02948	2.4
219.06526	1.1
221.04453	0.4
229.05052	2.4
231.02905	13.3
231.06480	0.7
232.03531	0.4
233.04460	4.8
236.02415	0.4
241.04901	0.6
247.02448	0.4
247.06033	0.4
251.09207	2.8
257.04602	0.6
259.05844	0.6
261.03940	7.2
271.65726	0.3
279.05020	9.6
291.04971	5.9
293.14984	1.5
303.04968	0.5
303.13489	0.9
321.06006	0.6
339.07166	4.8
339.15442	1.1
339.19180	2.3
343.80814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76016	0.4
55.01870	1.1
60.05143	0.3
61.02909	0.6
67.05495	0.4
69.89078	1.6
69.89453	0.6
70.06599	1.9
72.08152	1.1
79.05507	0.8
81.07037	0.5
84.04483	0.8
84.08139	1.2
85.02888	1.0
86.09699	1.6
89.03922	3.4
91.05497	1.5
95.01321	1.6
95.04947	0.4
97.02853	0.4
98.20944	0.5
101.03957	0.4
103.05455	1.6
107.04977	2.1
110.07134	0.3
115.05460	0.5
116.07133	0.5
117.03391	5.9
119.04943	3.0
120.08108	0.7
121.02853	2.1
123.04465	3.3
129.01860	0.4
129.03360	0.6
131.04936	3.2
135.04424	15.4
136.07582	0.5
137.02333	0.6
137.05846	0.5
139.03886	0.5
141.01854	0.9
142.54872	0.4
143.04916	0.6
145.02856	7.6
145.06424	0.4
147.04416	34.7
148.03931	0.7
149.02342	5.3
149.05974	1.1
151.03915	0.9
153.62109	0.4
155.04950	0.5
157.02873	0.5
159.04402	2.4
161.06000	1.8
163.03912	78.9
164.04472	0.5
165.05505	0.8
166.04962	1.0
173.05934	0.6
175.03915	4.3
177.01877	5.7
177.03912	1.4
177.05386	4.2
177.06941	0.6
181.05000	0.4
187.03883	3.9
189.01884	0.5
189.05504	2.9
191.03416	0.9
191.07054	0.9
193.05055	0.5
195.02876	0.6
201.05428	0.7
203.03403	100.0
204.03780	0.6
205.04958	5.5
205.06720	0.5
207.02893	0.4
213.05455	0.8
215.03404	6.7
217.04886	0.6
219.02899	1.4
221.04466	0.8
229.04950	3.2
231.02881	13.7
231.06448	0.7
233.04401	4.9
233.08023	0.4
243.02856	0.6
251.05367	0.4
257.04367	0.4
259.06012	1.0
261.03964	6.7
275.05521	0.6
279.05008	12.2
291.01953	0.7
291.05005	7.2
303.04959	0.9
321.06052	1.7
339.07098	6.0
339.11404	0.6
339.15588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	27.8
57.03427	3.7
59.35075	2.0
60.04530	3.7
60.95863	14.6
61.02913	6.7
69.03427	9.7
69.45027	14.7
70.06586	7.5
70.98111	5.8
72.08148	1.9
73.02919	4.5
74.97398	12.8
84.08141	11.1
84.96049	3.4
85.02922	14.1
86.09701	5.7
92.98499	1.8
97.02883	7.3
98.06077	4.0
98.97596	100.0
99.04447	2.2
100.97214	1.9
101.00853	1.9
102.05558	2.5
102.96844	5.2
103.00650	3.2
110.97585	23.9
111.54530	1.9
115.00624	2.1
116.98655	32.2
117.03445	2.8
119.01925	3.0
121.87284	1.9
124.99117	4.4
125.02648	3.1
127.03930	6.6
128.98599	16.4
129.02173	3.9
129.10262	3.8
131.00188	2.3
131.01906	3.8
132.97858	3.9
133.01573	5.5
133.03497	2.6
134.99646	6.0
135.03253	2.5
135.04398	4.8
137.00810	2.3
137.05956	2.1
140.98582	3.3
143.00145	6.3
144.47607	1.9
145.01625	3.3
145.02730	3.0
145.04951	3.3
146.99684	6.4
147.01303	2.2
147.03264	5.1
150.98956	5.3
154.96613	2.7
156.98076	2.6
157.01590	3.0
157.03497	3.0
158.95856	4.4
158.98521	2.7
158.99689	35.4
159.03256	3.5
161.02907	2.6
163.03928	14.5
170.99654	10.9
172.94415	3.1
173.01265	5.2
173.02954	2.7
174.54494	2.2
174.99167	8.9
175.02744	4.3
175.04251	2.1
175.99500	2.4
176.96912	14.6
177.00803	16.6
177.06041	2.1
180.01799	2.4
185.02913	2.4
186.02998	2.5
187.02829	3.7
188.02507	2.1
188.52602	3.4
189.00766	17.1
190.98615	4.8
191.02274	5.4
191.03883	3.2
193.00188	5.9
194.00491	2.2
194.98015	13.9
198.02870	3.8
201.00737	4.0
202.12280	3.1
204.96378	3.8
207.01752	7.5
208.99561	5.0
211.04593	2.1
218.98079	2.9
219.01831	25.2
220.06891	5.7
220.56934	4.6
221.06892	3.0
222.97452	5.7
223.04890	3.3
227.54175	2.7
231.01744	3.9
232.96358	2.3
236.99075	17.3
237.02843	26.8
239.04347	2.9
241.05849	3.8
245.05141	4.0
246.05447	2.8
249.01704	2.6
249.07986	2.8
255.00035	6.5
255.03838	16.2
256.96530	6.4
257.54437	2.3
265.15491	4.1
266.15982	3.7
274.97421	21.3
277.05939	3.8
279.00107	6.8
279.03864	37.4
290.03397	2.5
292.98364	11.1
297.01047	7.3
297.04919	21.6
311.15988	4.2
318.96011	2.8
339.05560	7.5
339.12088	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.3
61.02921	13.3
69.58709	19.5
69.59137	16.2
76.28610	5.1
78.98009	5.1
79.87827	6.3
85.02908	9.9
89.03911	23.4
98.97566	24.1
103.00645	8.8
110.97594	8.6
117.03378	13.5
129.02075	7.8
133.01624	12.5
135.04434	13.2
136.07585	9.5
145.02780	12.5
147.03195	17.1
157.01697	8.8
158.99664	8.1
159.03308	7.6
163.03906	100.0
170.99628	10.3
173.01158	5.5
175.02737	9.8
177.00757	9.7
177.04172	8.2
201.00591	7.1
219.01657	37.2
231.01788	11.0
237.02708	13.7
249.06499	5.7
283.87958	6.9
321.04749	9.6
339.04855	87.5
339.08850	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	339.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44761	1.8
54.66304	1.6
55.01855	2.8
56.96298	2.2
56.96566	23.2
57.03428	4.2
59.87344	1.7
60.95850	5.7
61.02925	7.2
66.41805	1.7
67.49798	1.5
69.03436	9.7
69.66520	11.1
70.04041	1.7
70.06597	3.1
70.98114	5.8
72.08145	2.0
73.02907	4.0
74.97401	4.1
77.58578	1.8
81.03412	2.0
81.23137	1.8
84.08155	15.3
84.96038	3.9
85.02909	18.1
87.04432	3.0
88.99173	2.9
89.03907	3.0
95.27045	2.3
97.02894	7.6
98.20763	3.2
98.97589	100.0
99.04405	2.1
101.00861	3.2
102.96894	4.2
110.97575	21.5
112.99152	4.9
115.03941	2.4
116.98629	32.9
117.01926	2.5
119.01878	2.9
121.01685	2.2
124.99107	6.4
125.02606	2.4
127.02399	1.7
127.03930	5.7
128.04459	1.7
128.98610	17.9
129.10204	2.6
129.32703	1.7
130.08635	4.2
131.00211	3.5
131.01874	2.6
133.01640	3.0
134.99651	5.2
135.04381	2.1
136.07581	2.2
140.98581	2.2
143.00174	10.0
143.01909	3.0
145.01659	2.4
145.02751	2.8
145.04987	4.0
146.99649	8.5
147.03197	8.7
147.04329	4.4
150.98912	2.3
156.01819	2.0
158.99675	39.7
159.03203	2.4
160.07559	3.7
161.01253	2.9
163.03957	12.1
165.00771	2.0
168.05457	6.2
170.99667	13.2
172.97614	3.2
173.01164	4.4
173.03058	1.9
174.99193	2.4
175.02769	4.6
176.57484	4.8
176.96892	8.6
177.00732	26.8
177.05959	5.2
182.99651	2.0
185.03012	3.4
186.99100	2.0
188.52626	2.7
189.00719	18.0
190.98567	3.6
191.02344	2.5
191.03912	3.9
194.97911	5.0
201.00587	3.6
202.12340	2.4
203.03795	2.5
205.00108	4.8
207.01826	5.9
208.99486	2.8
219.01691	27.1
219.03302	2.4
221.06763	2.5
222.97554	2.2
223.01147	3.3
223.04910	2.7
227.00528	2.2
231.01761	3.1
234.00302	2.0
236.99095	9.7
237.02840	32.3
241.05956	2.5
244.08842	2.2
245.05061	5.9
246.05234	5.1
247.04741	3.1
249.02847	4.3
249.05756	2.1
249.08118	2.7
249.56187	2.7
255.00032	3.8
255.03864	19.7
256.96481	2.5
257.60117	4.4
258.08667	2.4
263.06384	2.1
265.15445	5.6
274.97424	17.4
279.00662	1.7
279.03876	45.1
292.98535	8.6
297.01492	3.6
297.04929	20.0
311.16006	10.7
312.16287	5.3
321.04651	3.4
334.13080	2.1
339.05829	3.8
339.12326	3.9
341.21912	2.0
352.13950	2.6
353.13843	4.3
357.13184	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	338.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
55.61707	0.3
60.04517	0.4
70.06598	1.6
71.17529	0.8
71.17886	0.3
72.08163	11.9
74.06105	0.6
74.83745	0.3
79.05508	0.4
81.07055	0.4
84.08167	0.5
86.09713	0.7
91.05485	5.2
97.06547	3.6
107.04969	0.7
111.07498	0.3
118.08665	5.9
119.04945	7.0
119.05791	0.4
120.08106	0.6
121.06560	0.5
129.10266	0.4
136.07585	100.0
137.07944	0.5
141.09106	0.9
147.04396	0.6
148.07610	0.6
163.03911	0.5
164.07060	0.7
166.08661	0.5
167.50772	0.3
193.09737	61.0
194.10080	0.5
221.09221	15.1
221.11394	0.7
281.14993	1.6
306.11850	0.4
338.14325	0.9
338.58975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01878	9.1
55.05516	23.4
56.05838	5.3
57.03434	9.7
67.05508	62.4
68.05836	14.4
69.07076	34.7
69.94916	8.5
69.95311	7.4
70.07377	5.7
79.05499	29.8
80.05833	4.9
81.07061	49.6
82.07384	14.8
83.04967	5.3
83.08617	15.9
91.05492	14.9
93.07053	28.4
94.07393	5.1
95.06129	4.2
95.08620	43.0
96.08949	12.1
97.06527	13.3
97.10170	9.5
98.21474	4.4
105.07038	10.5
107.04972	5.1
107.08584	17.2
109.10157	16.8
111.08066	4.6
117.78881	4.2
119.08593	8.4
121.10149	9.2
123.11750	4.9
125.09667	4.7
133.10164	8.8
135.11693	5.1
145.10048	6.0
147.11786	7.2
147.79466	4.6
148.12103	5.5
149.09630	17.1
162.13712	4.9
192.91013	3.8
202.09404	5.2
209.15407	7.5
215.20088	4.2
232.08331	4.2
248.07840	4.1
257.18884	7.5
263.10175	4.4
275.20105	56.2
276.10910	4.6
292.10376	9.9
293.21008	4.5
305.87460	5.0
306.12064	12.3
307.12741	14.6
338.14600	30.5
338.27756	100.0
338.34186	10.0
339.27823	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	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.5
55.05516	30.9
56.05846	3.9
57.03437	11.8
57.07072	5.8
58.17960	3.1
67.05511	45.2
68.05837	10.8
69.07066	36.0
69.95711	15.9
70.07412	6.3
79.05486	27.9
81.07060	40.9
82.07401	13.0
83.04979	4.6
83.08612	16.1
85.06525	3.6
90.12325	3.3
91.05483	8.5
93.07050	16.2
94.07380	5.6
95.08617	35.5
96.08945	7.5
97.06544	16.3
97.10190	6.7
105.07015	11.2
107.08595	16.5
109.10165	10.2
110.10462	4.3
119.08656	4.4
121.10165	13.0
122.10529	4.3
123.11778	3.8
133.10114	6.7
134.10471	4.6
135.11659	4.3
145.10104	4.2
147.11711	6.1
149.09639	9.0
163.14761	3.4
187.09206	4.3
191.46515	3.0
195.34546	3.6
196.00383	3.0
209.15340	5.2
209.93036	3.5
257.19098	4.7
275.20093	44.7
292.10431	4.3
338.14670	7.0
338.27710	100.0
338.34256	8.0
339.27728	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	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01869	1.9
55.05515	26.9
57.03442	17.6
57.07077	3.9
60.85824	0.8
61.07362	0.7
61.35279	0.7
65.03940	2.1
67.05510	57.6
69.03460	1.0
69.07073	32.3
71.04989	2.2
71.08632	1.4
77.75381	0.6
79.05075	1.2
79.05496	15.3
81.07062	56.1
83.04978	1.9
83.08627	17.6
85.02929	0.9
85.06544	1.9
91.04974	1.2
91.05490	11.9
93.07047	15.6
95.04974	2.3
95.08611	39.0
96.44479	0.7
97.06554	3.6
97.10176	6.6
98.20815	2.0
99.08107	2.0
105.07032	6.7
107.08591	10.0
109.10162	15.6
111.08079	1.8
111.11726	2.1
113.09673	0.7
117.07037	1.1
119.08569	6.7
121.10164	5.9
123.08056	1.2
123.11710	6.1
125.09670	1.3
131.08627	1.3
133.10124	5.7
135.11736	3.5
137.09627	1.2
137.13272	3.3
137.75256	0.7
139.11255	1.1
147.11687	3.1
149.05893	0.8
149.13283	2.6
151.11230	0.9
152.24168	0.7
157.10062	1.0
161.13281	3.0
163.14810	2.1
175.14833	2.8
179.14355	0.8
189.16388	1.1
201.09103	1.0
213.08995	0.9
213.85544	0.7
231.07950	1.1
245.09549	1.3
245.22626	1.8
246.10536	1.6
247.07693	1.5
256.93018	0.8
259.07596	1.1
261.08926	1.5
262.10010	1.2
263.10773	1.5
263.23676	3.0
273.09311	1.0
274.09943	1.7
275.07278	0.7
275.10797	1.3
276.07739	0.9
277.12286	1.2
279.10257	1.0
290.09412	2.3
291.10144	5.1
305.11670	4.9
306.12457	5.0
307.09671	2.3
321.11313	0.8
322.11868	1.2
337.14346	17.1
337.27393	100.0
338.27777	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	337.9707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	23.5
57.20337	0.7
61.02923	1.4
67.34468	0.6
69.31313	0.8
71.50418	1.1
71.95271	4.3
79.35537	0.6
82.50784	0.7
85.02898	0.8
98.97591	100.0
99.97952	1.2
100.97243	0.9
101.00881	5.4
102.00974	1.1
102.96878	1.8
103.00645	0.9
110.97578	1.1
116.98631	54.7
117.98967	1.3
119.01929	19.5
120.02029	3.0
120.97918	1.6
121.01682	2.9
124.02448	1.6
128.98586	0.9
134.99675	18.9
136.48375	1.1
137.02982	4.6
140.00255	1.4
142.03514	11.2
143.03673	2.7
144.03255	2.4
153.00763	1.2
158.01366	0.9
160.04616	3.2
167.79195	0.8
172.94310	1.0
174.97688	10.1
176.90146	1.5
177.00986	2.6
178.01141	1.2
179.00659	1.6
190.63908	0.7
190.95175	0.8
192.98810	4.1
194.87622	1.2
194.91226	8.0
198.97493	4.7
210.89061	1.1
212.88672	1.3
212.92299	15.9
216.98723	78.5
217.99173	0.8
218.91373	2.3
219.02014	1.2
230.89766	1.8
230.93323	9.4
232.94264	0.8
234.99771	84.1
235.99947	1.6
236.92264	8.4
238.95682	2.4
240.95351	1.3
248.90857	0.9
248.94429	2.1
250.92236	1.0
253.01033	1.4
254.93353	47.5
255.93602	1.0
256.96686	7.7
257.96805	3.0
258.01410	2.9
258.96503	3.9
258.99707	1.7
259.92828	1.0
259.96600	1.3
261.03088	1.2
262.91858	1.0
263.42270	1.0
265.96072	1.1
267.95905	0.8
270.91220	2.4
272.91031	5.2
272.94400	85.7
273.94580	1.9
273.97403	1.3
274.90039	0.9
274.94623	0.9
274.97610	2.7
275.97806	1.0
276.93842	1.0
277.00897	1.3
277.95004	2.1
278.45392	0.9
278.93341	2.2
282.91382	1.1
283.41449	1.2
283.91095	2.3
284.46811	2.0
284.91138	0.9
284.96616	1.1
284.99854	0.8
288.92163	2.2
290.91907	10.3
290.95496	25.8
291.98499	0.9
292.24341	1.0
292.91714	3.2
295.57809	1.1
295.91428	2.8
295.95956	5.0
296.41370	2.3
296.91574	1.0
296.94409	26.7
297.24985	3.1
297.58170	2.4
297.91605	1.2
298.91443	7.4
299.24915	6.5
299.58258	6.5
299.91119	2.3
300.25037	1.7
302.90070	1.1
303.25650	1.8
303.40445	1.3
303.58487	2.2
303.90280	3.4
304.40289	1.6
304.58588	1.9
304.92029	20.8
305.25339	21.3
305.41650	1.1
305.58618	12.9
305.92047	7.3
306.58670	2.7
306.92584	2.5
307.25592	2.2
308.93011	3.7
310.59198	0.8
310.92273	11.4
311.25702	10.1
311.59064	8.4
311.92285	3.2
311.96094	7.0
312.25467	1.6
312.46024	4.8
312.59128	5.4
312.92465	4.0
312.95908	1.1
313.25610	3.1
313.40741	1.9
313.59067	2.5
313.90649	1.2
313.97086	1.4
314.95456	88.7
315.95847	1.2
318.59662	2.1
318.92719	2.4
319.26260	2.9
319.59286	1.3
320.27011	1.4
322.89496	1.0
323.90756	2.7
331.89594	2.0
332.39917	1.8
332.43726	0.8
332.91364	8.6
332.96542	5.3
333.41043	3.0
333.89221	0.9
334.87256	0.9
335.41586	1.3
335.89270	1.3
336.39209	2.3
336.89163	1.9
337.93225	1.1
337.97116	2.6
341.92224	1.4
343.38303	2.1
343.87851	3.9
344.38007	1.9
344.42041	1.3
344.87903	0.9
352.88315	1.8
355.93771	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	337.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.05524	18.7
57.03405	4.6
57.07098	7.8
60.22972	3.7
65.03938	4.1
67.05505	41.5
69.07077	31.8
71.05003	38.5
71.17035	6.9
79.05495	28.9
81.07059	67.1
83.08636	11.6
85.06556	5.2
91.05489	34.4
93.07048	48.6
93.90984	3.6
95.04984	24.2
95.08616	100.0
97.06537	8.0
97.10198	6.2
101.70681	4.3
105.07035	86.9
107.08596	56.2
109.06509	17.9
109.10172	34.8
115.05449	6.6
117.07008	17.0
119.08589	96.9
121.06511	3.6
121.09330	7.6
121.10155	97.4
121.11025	5.1
123.08065	13.4
123.11730	57.9
128.06226	6.1
129.07011	14.6
130.07779	5.2
131.08607	44.2
133.10129	53.6
135.08081	34.9
135.11703	12.1
137.13197	8.0
141.06940	4.6
142.07770	18.6
143.08589	29.3
144.09314	5.6
145.10126	73.0
147.08047	6.1
147.11673	20.2
149.09576	7.8
149.13258	11.0
155.08597	18.3
156.08165	4.4
156.09367	16.6
157.10141	67.6
158.10939	7.0
159.08095	5.1
159.11714	35.4
161.09633	37.7
161.13254	9.1
165.06934	4.3
167.08595	6.4
169.10132	19.9
170.10872	8.2
171.11699	37.2
172.12408	4.9
173.13287	15.2
175.11208	7.2
175.14867	22.7
177.16364	12.4
179.08463	4.5
180.09390	5.2
180.81702	3.9
181.10162	7.6
182.10973	8.9
183.11697	31.3
185.13289	13.5
187.14807	18.4
189.12779	9.4
189.16385	10.1
193.10156	5.6
194.10910	5.7
195.11751	19.1
197.13251	48.9
198.13974	4.1
199.14804	10.1
201.12778	8.9
201.16426	10.4
203.18147	3.8
209.13263	14.7
211.14836	20.3
213.12788	9.0
213.16412	4.9
214.17160	5.4
215.14345	16.8
221.13261	8.7
223.14835	15.9
225.16399	5.7
237.16263	5.8
239.14246	3.8
239.17906	9.5
249.16296	5.9
253.19411	11.5
254.20389	9.1
257.19000	6.2
263.17856	8.4
267.21112	5.8
279.21057	18.5
281.19028	10.4
294.23569	6.0
319.24298	5.7
337.14310	8.3
337.24963	68.7
341.83377	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	337.2374
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
52.35299	1.8
55.01865	4.8
55.05512	14.5
57.03440	2.0
57.07072	4.8
59.04997	3.0
59.22900	2.4
67.05510	39.6
69.03416	7.7
69.07079	28.2
71.05000	18.9
76.73500	2.5
79.05494	16.9
81.03383	4.0
81.06596	3.5
81.07063	62.1
83.04953	6.8
83.08602	8.6
85.06526	7.2
91.05480	16.3
93.07048	38.6
95.04967	9.4
95.08613	47.4
96.75187	2.0
97.02872	4.6
97.06535	15.6
97.10188	5.7
98.97532	2.6
99.08096	4.5
103.05451	2.7
105.07044	25.8
107.04970	4.3
107.08598	33.7
109.06526	10.8
109.10168	84.2
111.04449	2.8
111.08089	3.6
111.11728	2.9
113.09634	7.2
115.05441	3.8
117.06992	6.8
118.45212	1.9
119.08595	25.3
119.99221	2.1
121.06499	7.3
121.10142	23.1
123.08046	6.1
123.11701	45.0
125.09644	12.1
127.11211	4.1
129.07008	4.3
131.08530	12.0
132.85695	2.3
133.10147	18.6
135.08064	4.3
135.11696	19.6
137.05966	2.5
137.09641	20.1
137.13286	10.7
139.11166	8.5
142.07784	2.9
143.08539	6.2
145.06442	2.7
145.10130	13.5
147.08022	8.0
147.11670	16.0
149.09639	13.7
149.13228	5.9
151.07625	3.5
151.11185	10.0
153.09106	4.1
153.12735	13.6
155.08559	4.5
155.10692	3.2
157.10159	11.3
159.08087	4.6
159.11690	10.1
161.09691	12.6
161.13240	7.1
163.07542	2.6
163.11169	6.3
165.09140	18.4
165.12732	8.5
167.10689	4.9
169.10199	3.2
171.11763	5.8
173.09628	5.0
173.13254	12.9
175.11206	12.2
175.14838	2.8
177.09065	3.7
177.12660	3.1
179.10623	4.4
181.12238	8.9
183.11659	2.6
185.09534	2.6
185.13235	6.3
187.14819	6.0
189.12738	6.9
195.11713	2.4
197.13211	5.6
199.14835	7.6
201.09193	4.2
201.12770	2.9
201.16360	3.5
202.05920	3.5
203.14223	4.1
205.15869	6.1
213.16374	8.4
215.14299	6.7
215.17877	3.4
221.05852	2.2
225.05400	3.3
227.14192	4.3
231.08069	3.9
231.17436	8.9
233.15419	5.1
241.08543	5.9
246.10376	2.9
247.07581	3.1
255.21117	3.5
261.09143	3.6
262.09915	5.0
263.07538	3.1
263.10626	5.9
273.22174	10.9
274.09720	4.8
277.08725	4.0
277.12222	4.5
283.20502	11.0
290.09427	5.1
291.10205	10.1
291.23083	7.8
293.11774	4.9
301.21622	37.2
305.08334	3.8
305.11670	16.4
306.12393	11.2
307.09567	3.0
319.22687	100.0
319.26443	5.1
320.22888	3.2
322.11945	4.8
337.10635	11.5
337.14316	60.9
337.20093	3.8
337.23590	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01853	6.0
55.05513	15.8
57.03445	4.8
57.07075	2.9
65.03938	3.0
67.05510	37.7
69.07074	21.9
71.04986	5.3
71.52290	2.2
71.52707	2.5
79.05502	40.1
81.03424	4.6
81.07062	100.0
83.04977	6.1
83.08601	9.2
85.02898	7.2
85.06548	3.9
91.05483	35.3
93.07050	65.4
95.04977	13.1
95.05466	2.6
95.08611	83.5
97.02921	3.5
97.06525	13.2
97.10183	6.4
99.04448	3.8
104.41747	2.0
105.07040	42.2
107.04929	5.0
107.08603	58.6
109.06516	28.8
109.10168	65.7
111.04420	4.7
111.08081	3.5
111.11702	2.6
117.07034	10.6
119.08578	32.2
121.06505	4.0
121.10154	36.0
122.83650	2.0
123.04448	5.7
123.08084	6.7
123.11722	33.3
125.05978	5.9
125.09634	11.0
127.11121	2.1
129.06952	5.0
131.08589	14.9
133.06439	2.8
133.10143	38.5
135.08067	5.4
135.11697	35.8
137.06009	5.8
137.09595	6.0
137.13239	6.1
139.07547	12.2
139.11143	2.5
143.08549	6.8
145.10139	18.0
147.08041	7.8
147.11668	21.0
149.05946	2.2
149.09607	7.4
149.13284	23.4
151.07539	2.6
151.11194	2.5
153.09113	21.6
153.12761	8.7
157.10158	8.5
159.11696	16.6
161.09650	10.6
161.13261	13.7
163.07559	3.3
163.11179	4.4
163.14812	6.5
165.09137	7.9
167.10698	4.2
171.11703	2.6
173.13289	11.1
175.11205	5.7
175.14784	6.2
177.09117	3.2
177.16457	2.9
179.10715	11.2
181.08611	3.1
183.10048	2.2
185.09564	3.0
185.13181	3.4
187.11211	4.2
187.14771	4.7
189.12700	3.1
189.16466	2.9
191.10698	15.1
191.14334	3.0
191.17941	4.5
193.12210	8.0
199.14845	8.9
201.16292	3.3
203.14639	2.3
203.18031	9.9
205.12238	26.1
207.13803	8.0
207.17432	5.1
217.15871	9.4
219.13849	16.3
231.08160	3.2
231.13823	2.7
233.15324	4.3
241.08533	3.8
243.21086	4.1
245.15523	11.1
246.67287	2.3
255.21178	4.9
261.09149	3.2
262.09790	4.6
263.10419	2.3
271.20621	7.5
273.22083	2.2
274.09805	4.7
276.07565	2.6
283.20624	5.0
289.21631	47.7
290.09213	2.9
291.10236	7.1
301.21628	61.2
305.08328	4.3
305.11737	9.4
306.12369	9.0
307.22684	4.9
319.13065	2.2
319.19162	4.3
319.22665	28.5
322.12033	3.7
337.10687	6.2
337.14371	36.4
337.19919	5.7
337.23950	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	337.2376
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03933	5.3
55.01853	6.0
55.05513	15.8
57.03445	4.8
57.07075	2.9
65.03938	3.0
67.05510	37.7
69.07074	21.9
71.04986	5.3
71.52290	2.2
71.52707	2.5
79.05502	40.1
81.03424	4.6
81.07062	100.0
83.04977	6.1
83.08601	9.2
85.02898	7.2
85.06548	3.9
91.05483	35.3
93.07050	65.4
95.04977	13.1
95.05466	2.6
95.08611	83.5
97.02921	3.5
97.06525	13.2
97.10183	6.4
99.04448	3.8
104.41747	2.0
105.07040	42.2
107.04929	5.0
107.08603	58.6
109.06516	28.8
109.10168	65.7
111.04420	4.7
111.08081	3.5
111.11702	2.6
117.07034	10.6
119.08578	32.2
121.06505	4.0
121.10154	36.0
122.83650	2.0
123.04448	5.7
123.08084	6.7
123.11722	33.3
125.05978	5.9
125.09634	11.0
127.11121	2.1
129.06952	5.0
131.08589	14.9
133.06439	2.8
133.10143	38.5
135.08067	5.4
135.11697	35.8
137.06009	5.8
137.09595	6.0
137.13239	6.1
139.07547	12.2
139.11143	2.5
143.08549	6.8
145.10139	18.0
147.08041	7.8
147.11668	21.0
149.05946	2.2
149.09607	7.4
149.13284	23.4
151.07539	2.6
151.11194	2.5
153.09113	21.6
153.12761	8.7
157.10158	8.5
159.11696	16.6
161.09650	10.6
161.13261	13.7
163.07559	3.3
163.11179	4.4
163.14812	6.5
165.09137	7.9
167.10698	4.2
171.11703	2.6
173.13289	11.1
175.11205	5.7
175.14784	6.2
177.09117	3.2
177.16457	2.9
179.10715	11.2
181.08611	3.1
183.10048	2.2
185.09564	3.0
185.13181	3.4
187.11211	4.2
187.14771	4.7
189.12700	3.1
189.16466	2.9
191.10698	15.1
191.14334	3.0
191.17941	4.5
193.12210	8.0
199.14845	8.9
201.16292	3.3
203.14639	2.3
203.18031	9.9
205.12238	26.1
207.13803	8.0
207.17432	5.1
217.15871	9.4
219.13849	16.3
231.08160	3.2
231.13823	2.7
233.15324	4.3
241.08533	3.8
243.21086	4.1
245.15523	11.1
246.67287	2.3
255.21178	4.9
261.09149	3.2
262.09790	4.6
263.10419	2.3
271.20621	7.5
273.22083	2.2
274.09805	4.7
276.07565	2.6
283.20624	5.0
289.21631	47.7
290.09213	2.9
291.10236	7.1
301.21628	61.2
305.08328	4.3
305.11737	9.4
306.12369	9.0
307.22684	4.9
319.13065	2.2
319.19162	4.3
319.22665	28.5
322.12033	3.7
337.10687	6.2
337.14371	36.4
337.19919	5.7
337.23950	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	337.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78025	0.2
55.01880	0.3
55.05503	0.3
56.05034	1.6
57.03440	0.8
57.07083	2.3
67.05505	0.3
69.07063	0.6
70.03423	0.9
73.02922	0.5
74.02443	0.4
74.06085	1.6
81.07071	0.5
82.06585	0.2
84.04517	1.5
84.08146	0.4
85.02903	0.8
85.10184	7.2
86.09713	0.4
91.05566	0.2
95.08617	2.0
96.08134	0.3
97.10206	0.3
98.06043	0.4
102.05546	1.9
112.11258	1.6
113.09650	6.9
117.41327	0.2
124.03955	0.6
124.11278	0.2
126.09157	0.5
126.12790	0.3
138.12784	21.0
166.05022	0.4
168.13847	36.0
177.87453	0.2
194.04460	0.5
212.05641	0.4
214.14384	100.0
215.14731	1.0
235.58800	0.2
337.14337	0.5
337.17636	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03933	3.3
55.01862	4.0
55.05508	10.5
57.03426	2.0
57.07064	4.2
59.04989	4.1
65.03934	3.4
67.05504	38.8
68.88582	1.0
69.03419	5.3
69.07068	24.1
69.68927	4.0
69.69346	2.6
71.04995	2.8
71.08617	1.2
74.96406	1.2
79.05492	30.7
80.06247	1.1
81.03409	3.7
81.07053	48.2
83.04970	3.6
83.08624	7.3
85.06521	4.2
91.05482	24.2
92.06276	1.5
93.06490	1.8
93.07041	25.3
95.04982	10.2
95.08611	35.4
97.06530	39.7
97.10159	3.2
99.04471	2.6
103.05452	1.3
105.04546	1.5
105.07030	21.3
107.04934	3.9
107.07885	1.6
107.08591	22.1
109.06506	6.1
109.10155	72.0
110.10562	1.3
111.08085	2.7
111.11697	1.3
113.06050	1.4
113.09593	1.2
115.05441	5.6
117.07012	5.1
119.07818	1.8
119.08590	22.3
121.06490	4.5
121.10154	14.0
123.04475	1.3
123.08079	1.6
123.11739	5.8
125.05997	1.6
128.06198	1.9
129.07019	8.6
130.07768	2.5
131.08586	8.1
133.02852	3.2
133.06508	4.1
133.10130	11.2
134.07361	1.4
135.08049	4.1
135.11694	13.4
137.05997	1.5
137.09607	13.5
137.13251	10.9
139.11177	2.8
141.07004	6.9
142.07706	1.4
143.08591	2.4
145.06380	1.2
145.10135	7.0
147.04437	1.2
147.08046	8.3
147.11691	15.6
148.08801	4.0
149.09610	11.3
149.13258	4.9
151.11147	2.3
153.06990	3.0
153.12766	13.5
155.08554	1.6
155.10663	4.8
157.06497	2.1
157.10133	9.4
158.10939	1.7
159.04349	3.3
159.11711	9.2
161.02335	6.4
161.09612	4.1
161.13251	2.5
163.03894	4.5
163.11195	4.8
165.07007	2.7
165.09114	18.1
165.12758	10.8
167.08546	2.0
167.10689	3.0
168.05762	1.4
169.06480	2.5
171.11729	1.4
173.02321	11.6
173.05989	1.2
173.09726	1.5
173.13252	4.7
175.03999	1.7
175.07542	1.6
175.11147	6.9
175.14836	3.5
176.11972	49.9
177.09111	1.2
177.12723	4.4
177.20908	1.4
181.06465	2.4
181.10739	1.6
181.12245	12.5
183.04311	1.3
183.08002	1.7
183.10144	2.3
185.05925	2.4
185.13197	1.7
186.06554	1.2
187.03857	8.4
187.14786	1.7
189.12730	1.3
191.14310	2.9
195.08034	3.8
197.05899	5.6
199.03929	15.2
199.14877	2.8
201.09187	2.1
201.12791	1.8
201.16380	2.6
203.06966	3.1
203.14355	1.4
205.15843	5.7
209.05893	1.3
211.03773	1.0
211.07573	5.4
212.08308	1.8
213.05428	8.8
213.09067	1.1
213.16414	2.2
217.15985	1.5
219.08116	1.3
221.05939	1.4
223.07527	2.6
225.05464	23.4
226.06223	4.0
227.07060	2.0
227.14410	1.3
235.07513	1.7
237.05522	1.3
237.09148	2.8
239.07036	11.1
240.07855	6.4
241.08585	28.0
241.19577	1.7
243.17561	3.3
245.09558	1.4
246.10359	1.6
247.07445	2.8
248.08377	1.5
249.05415	3.5
251.06961	2.6
253.08475	3.1
255.21086	2.1
259.07520	1.8
259.20740	1.2
261.09174	2.5
262.10202	1.9
263.10626	1.6
273.22162	5.9
274.09918	1.9
275.10715	1.9
276.08035	1.3
277.12222	2.7
279.10364	1.6
283.20590	2.5
291.10162	8.2
291.13397	2.2
291.23117	5.5
293.11661	3.4
301.21591	11.7
305.11758	7.0
306.12396	4.0
307.09573	2.0
309.14899	3.7
319.13171	8.2
319.22668	100.0
320.22934	1.7
322.12064	2.9
337.14328	82.6
337.23489	7.5
338.14630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.57262	1.3
53.16553	1.3
62.65377	1.5
70.24039	5.6
71.11195	1.7
80.19949	1.5
93.55338	1.5
96.73689	1.5
101.00893	4.2
113.00919	4.0
117.11537	1.5
119.01955	2.4
127.02428	3.9
132.98885	1.4
145.03419	7.7
155.01907	5.9
157.03506	5.0
173.03012	5.7
199.00984	2.2
201.02600	1.6
215.49402	1.5
217.01956	15.6
221.05170	2.9
229.02002	5.1
235.03076	3.5
247.03053	3.5
247.06645	1.5
275.05997	2.0
277.03992	2.2
292.00967	1.3
337.09042	100.0
338.09024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00684	0.4
55.95778	0.5
56.96566	60.5
57.03437	1.5
58.17154	0.4
61.02918	1.7
68.96570	0.7
69.03431	0.7
70.06573	0.5
70.98123	45.2
71.95266	6.2
72.96056	2.9
73.02907	1.1
74.97619	1.2
84.96037	8.8
85.02909	1.7
86.09707	0.6
86.97576	1.0
88.99162	17.1
97.02872	0.5
98.97585	100.0
100.99197	0.6
101.00871	0.8
107.00204	1.7
108.96011	0.9
110.97572	34.2
112.99139	7.1
113.03521	0.9
115.00690	3.1
115.02444	0.6
116.98621	30.9
119.01904	1.0
124.95478	19.1
124.99120	1.5
126.97064	1.7
127.00711	1.2
128.98607	46.6
131.00186	5.2
133.01704	2.4
133.03468	1.1
134.99672	6.0
138.97003	1.2
140.00179	0.5
140.98584	6.5
142.96532	10.2
143.00154	2.9
143.03455	0.5
144.98116	2.1
145.01715	3.0
146.99651	38.1
149.01224	2.4
151.02794	0.6
152.94948	9.9
152.98582	2.8
154.96571	1.8
155.97343	0.7
156.98097	6.7
157.01604	0.5
157.03534	0.5
158.99667	10.5
160.97574	1.9
161.01251	1.6
161.03058	0.4
162.99107	0.9
165.00711	11.4
168.98117	0.7
170.01292	0.8
170.96017	29.4
170.99641	6.7
172.97601	4.9
173.01210	2.6
173.02623	0.4
173.98376	0.9
174.97719	1.0
174.99165	12.5
175.02708	2.2
176.39964	0.5
177.00717	5.6
183.01770	0.6
184.97578	16.7
186.99168	5.3
187.00731	0.8
187.02759	1.0
188.02370	0.9
188.97076	32.6
189.00703	28.0
190.98695	2.6
191.02412	2.2
191.03841	0.6
193.00215	5.8
196.95993	0.5
196.97765	0.4
198.99150	2.8
201.00809	2.1
202.98625	21.3
203.04001	0.5
205.00218	13.9
206.96133	0.7
206.98123	10.4
207.01761	13.6
211.98906	0.5
212.97070	14.0
214.98560	2.8
217.00198	12.8
217.02086	0.7
217.03683	0.8
218.03435	1.5
218.98351	0.8
219.01782	11.4
220.99684	11.3
221.01733	0.7
223.01300	4.6
224.99229	1.4
225.02751	0.8
226.98587	1.3
227.03983	0.9
230.98126	41.5
232.99707	3.0
235.01233	7.9
235.04823	0.6
237.02817	7.2
239.00694	1.7
244.99698	43.0
247.01117	2.9
248.99203	10.3
249.02835	5.9
251.00749	0.9
251.04366	0.5
253.02455	0.6
253.99652	0.9
261.03131	0.6
263.00751	71.9
264.01120	0.8
265.02121	0.5
267.01108	0.5
267.03842	2.9
277.02301	29.4
277.05872	7.0
281.01828	6.1
286.02283	1.5
295.03391	6.3
295.07016	16.2
295.10309	0.8
305.01810	8.8
305.05136	0.6
313.04376	0.9
314.09036	0.5
323.02792	0.9
337.04358	3.4
337.08725	33.0
338.09103	0.5
349.82269	0.4
355.09152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05312	0.7
55.05518	7.1
57.03439	3.4
57.07082	12.5
57.37249	0.8
59.04997	0.7
67.05502	1.8
69.03432	1.0
69.07078	2.0
70.06589	1.4
71.01357	1.7
71.05003	3.2
71.52298	1.1
73.02917	1.4
77.33934	0.6
78.13498	0.7
79.05497	2.5
81.03415	2.1
81.07060	10.7
83.01331	0.9
83.08652	0.9
84.08140	1.7
85.02890	1.2
86.09724	1.2
87.04473	3.3
87.08112	100.0
87.72317	0.6
89.02393	1.8
91.05486	2.4
93.07055	2.8
95.04996	2.1
95.08633	1.1
97.02911	1.0
97.06532	1.4
97.20074	0.7
99.08109	3.6
101.02402	4.7
105.07037	1.8
107.04955	0.9
109.02902	0.7
109.06521	1.3
109.10186	0.7
115.03942	9.7
116.32590	0.6
117.07052	0.7
119.08630	1.0
120.08121	1.0
127.03870	1.4
129.01822	4.6
129.06979	0.9
131.08585	1.0
131.10692	9.0
133.10106	0.6
137.05960	1.4
143.03392	4.3
145.10121	1.3
147.04422	0.8
147.07977	0.7
155.03401	1.9
157.01334	8.1
158.57039	0.7
161.04468	2.3
161.05916	1.2
163.03981	1.0
171.02946	1.6
175.02486	0.7
189.02243	1.5
189.03961	28.8
193.12328	0.8
203.07056	1.8
206.07285	0.7
207.05005	6.5
207.06461	0.6
207.14091	0.9
234.06870	1.2
249.09129	1.2
251.07083	1.0
262.06320	1.3
262.10049	0.7
269.09943	0.8
276.07770	0.9
277.08673	1.2
287.11252	4.4
290.05804	1.2
291.10059	0.9
295.04593	0.8
301.14465	0.9
305.08148	2.7
305.11624	1.6
322.08572	1.0
337.10638	5.0
337.14474	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	337.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63213	1.1
56.96566	6.7
57.43345	1.2
61.02942	2.0
65.68914	1.2
68.68946	1.2
70.98116	2.3
82.99866	4.6
85.01390	4.5
85.02910	4.1
86.99333	1.7
89.00905	1.6
94.92960	1.2
94.99863	2.3
97.02901	1.9
98.97605	7.1
98.98135	1.1
101.00887	26.8
103.02449	7.4
110.97572	2.0
113.00873	12.3
115.00615	1.6
115.02423	4.0
116.98580	2.0
119.01923	20.1
121.03506	1.7
127.02430	20.9
128.98604	3.1
130.78598	1.2
131.00165	1.2
131.01906	26.3
132.39204	1.1
133.01656	1.4
133.03479	11.2
134.56351	1.1
135.04382	2.3
139.02412	7.1
142.44894	1.2
142.96609	2.4
143.01859	8.9
145.03484	53.2
146.99680	3.7
147.01385	3.3
149.02974	3.8
151.04570	2.1
155.01895	29.7
157.03484	29.7
161.02948	7.9
163.03729	6.8
167.01930	4.2
170.96028	1.4
170.99776	2.3
171.01381	12.9
173.02982	42.2
174.99031	2.7
175.04532	8.4
181.03445	1.9
183.01404	4.1
185.02943	10.8
187.04601	3.0
188.97101	1.6
189.00822	2.8
189.02434	12.1
191.02301	1.4
191.04037	4.3
193.01831	2.2
196.04507	1.6
199.00883	5.6
199.04689	2.1
201.00778	1.3
201.02440	5.8
202.98605	1.4
203.04033	7.1
205.00323	1.4
207.01738	1.3
209.03181	2.5
211.00938	3.1
211.04507	2.3
217.01959	100.0
218.02089	2.5
218.95113	1.3
221.02985	7.3
221.05072	20.6
229.01961	33.3
229.05557	1.7
232.99632	1.6
235.02995	22.6
239.03970	2.5
239.06131	19.1
244.99677	2.7
247.02988	22.1
247.06671	6.0
253.01627	1.3
253.04076	1.9
257.05161	3.7
259.02927	1.4
263.00815	3.8
265.03772	1.7
265.07742	3.7
267.04202	1.3
275.06229	21.5
275.10706	1.7
277.04001	8.1
277.07706	4.1
287.98108	1.4
295.08701	5.5
305.01697	1.8
305.11526	2.0
306.12637	1.8
311.06137	1.5
319.05154	19.0
337.05661	14.6
337.09290	14.0
337.14346	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63213	1.1
56.96566	6.7
57.43345	1.2
61.02942	2.0
65.68914	1.2
68.68946	1.2
70.98116	2.3
82.99866	4.6
85.01390	4.5
85.02910	4.1
86.99333	1.7
89.00905	1.6
94.92960	1.2
94.99863	2.3
97.02901	1.9
98.97605	7.1
98.98135	1.1
101.00887	26.8
103.02449	7.4
110.97572	2.0
113.00873	12.3
115.00615	1.6
115.02423	4.0
116.98580	2.0
119.01923	20.1
121.03506	1.7
127.02430	20.9
128.98604	3.1
130.78598	1.2
131.00165	1.2
131.01906	26.3
132.39204	1.1
133.01656	1.4
133.03479	11.2
134.56351	1.1
135.04382	2.3
139.02412	7.1
142.44894	1.2
142.96609	2.4
143.01859	8.9
145.03484	53.2
146.99680	3.7
147.01385	3.3
149.02974	3.8
151.04570	2.1
155.01895	29.7
157.03484	29.7
161.02948	7.9
163.03729	6.8
167.01930	4.2
170.96028	1.4
170.99776	2.3
171.01381	12.9
173.02982	42.2
174.99031	2.7
175.04532	8.4
181.03445	1.9
183.01404	4.1
185.02943	10.8
187.04601	3.0
188.97101	1.6
189.00822	2.8
189.02434	12.1
191.02301	1.4
191.04037	4.3
193.01831	2.2
196.04507	1.6
199.00883	5.6
199.04689	2.1
201.00778	1.3
201.02440	5.8
202.98605	1.4
203.04033	7.1
205.00323	1.4
207.01738	1.3
209.03181	2.5
211.00938	3.1
211.04507	2.3
217.01959	100.0
218.02089	2.5
218.95113	1.3
221.02985	7.3
221.05072	20.6
229.01961	33.3
229.05557	1.7
232.99632	1.6
235.02995	22.6
239.03970	2.5
239.06131	19.1
244.99677	2.7
247.02988	22.1
247.06671	6.0
253.01627	1.3
253.04076	1.9
257.05161	3.7
259.02927	1.4
263.00815	3.8
265.03772	1.7
265.07742	3.7
267.04202	1.3
275.06229	21.5
275.10706	1.7
277.04001	8.1
277.07706	4.1
287.98108	1.4
295.08701	5.5
305.01697	1.8
305.11526	2.0
306.12637	1.8
311.06137	1.5
319.05154	19.0
337.05661	14.6
337.09290	14.0
337.14346	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	5.3
55.05516	21.7
57.03440	18.3
57.07060	1.8
65.03938	3.0
67.05510	81.8
69.07070	19.0
69.85612	9.8
79.05497	38.3
81.07059	74.1
83.08610	6.5
85.00575	1.6
91.05486	17.5
93.07050	44.7
95.04958	1.8
95.08614	55.0
97.10155	4.5
105.07040	12.8
107.08606	20.1
109.06562	1.8
109.10166	25.9
117.07014	3.5
119.08556	9.3
121.10149	14.4
123.08073	1.9
123.11703	8.7
131.08565	9.1
133.10150	9.3
134.04823	2.0
135.11682	10.1
137.13248	2.2
145.10176	4.0
147.11700	6.7
149.13269	6.9
159.11696	5.0
161.13292	3.3
163.14844	2.3
173.13258	4.4
175.14871	3.8
243.21106	2.3
261.12103	1.7
261.22107	6.8
270.30301	1.7
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05511	14.2
67.05523	0.9
69.07061	7.3
70.06590	1.1
70.42591	0.7
70.42934	2.1
75.05607	19.2
79.05467	0.9
79.75504	0.6
81.07059	1.4
81.11627	0.6
82.06580	10.7
83.08614	13.7
83.87319	0.6
85.02885	1.0
86.09709	77.0
89.06264	0.6
91.05476	1.5
93.07034	1.2
98.09705	0.7
100.11257	43.6
101.11573	0.7
103.05468	2.2
105.07101	0.7
107.04927	0.8
110.06041	6.4
111.04464	0.8
112.07639	0.6
120.08109	51.1
121.10146	1.9
125.05985	1.1
127.08704	3.1
128.07088	1.3
131.04922	1.2
137.05991	6.6
139.08684	9.3
139.11191	1.9
143.11801	100.0
165.02640	0.7
166.08643	30.2
171.11290	20.8
179.10728	2.2
182.15367	4.3
197.11716	4.9
205.09801	0.8
209.16496	43.6
210.14885	7.6
210.16747	0.9
227.17445	1.1
228.15977	4.6
308.23294	0.8
336.13034	0.9
336.22659	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	336.1916
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05520	1.5
62.06055	0.7
69.07079	1.4
69.45123	3.5
69.45537	1.6
70.06593	1.4
71.27247	0.6
72.08155	0.7
75.05634	1.6
78.52568	0.7
79.05472	1.7
81.03422	0.9
81.07067	0.8
85.02923	1.0
86.09707	100.0
87.10038	0.9
93.07049	2.2
97.06567	0.8
98.20824	1.6
102.88331	0.6
103.05474	2.6
105.07030	0.9
107.04979	0.8
120.08108	72.9
121.08464	0.8
121.10116	1.0
131.04944	1.0
131.08534	0.7
132.10255	1.1
136.06178	4.1
139.11224	1.0
143.11798	88.7
159.08400	1.1
161.90567	0.7
166.08643	36.3
171.11293	24.6
171.12759	1.4
177.10223	11.6
185.18970	0.7
205.09772	3.0
279.17178	1.5
290.17569	0.9
327.66150	0.8
336.18686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	49.1
57.01937	1.6
59.47224	1.1
62.82696	1.1
69.98265	6.1
69.98552	2.5
70.98126	42.6
71.95252	3.9
72.96055	1.9
74.97609	1.3
75.82498	1.2
82.02513	1.2
84.24975	1.4
84.96033	5.3
88.99163	14.6
98.21519	2.0
98.97589	100.0
109.02734	1.3
110.97572	28.9
112.99136	5.4
115.00712	4.0
116.98632	25.0
124.95489	15.0
127.00694	1.5
128.98608	40.6
131.00174	4.1
133.01700	1.3
134.99667	4.0
140.98604	5.7
142.96533	9.3
143.00188	1.5
145.01735	1.8
146.99667	31.7
152.94958	13.7
152.98535	2.5
156.98114	6.5
158.99680	9.0
165.00711	6.9
170.96027	28.6
170.99605	6.7
172.97601	5.0
173.01190	2.6
174.99150	10.3
177.00734	3.1
184.97581	13.4
186.99129	4.5
188.97081	24.0
189.00699	21.1
190.98567	2.1
191.02213	2.0
193.00299	2.9
201.00832	1.8
202.98618	18.5
205.00201	13.0
206.98183	6.8
207.01799	11.9
212.97057	13.2
217.00194	11.6
219.01819	9.5
220.99690	9.3
223.01239	4.4
230.98134	40.3
232.99722	3.9
235.01274	5.1
237.02794	4.8
237.67351	1.2
244.99715	39.5
247.01250	4.1
248.99164	9.4
249.02834	6.2
263.00775	60.3
267.04013	2.7
277.02341	27.4
277.05930	8.0
281.01761	4.8
286.02432	1.5
295.03409	5.1
295.07019	13.2
305.01785	7.9
337.04193	3.2
337.08255	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.96101	0.9
53.03938	2.8
55.01876	2.2
55.05270	1.4
55.05516	17.7
57.03440	19.1
57.07060	2.7
65.03947	1.9
67.05508	65.7
69.07073	14.8
69.87096	4.4
71.05009	1.1
79.05497	34.8
81.03391	1.4
81.07059	65.4
83.04991	2.2
83.08620	7.6
84.68449	0.9
85.06543	1.5
88.00941	0.9
91.05481	18.7
93.07046	41.3
95.04946	2.8
95.08608	50.5
97.06517	2.3
97.10184	2.0
98.20856	1.8
105.07040	10.3
107.08598	20.1
109.06513	1.9
109.10162	18.3
112.28692	0.9
117.06993	4.5
119.08605	7.3
121.10152	16.4
123.11707	6.3
129.05492	1.6
131.08554	7.2
133.10133	7.5
135.08099	1.2
135.11685	11.0
137.13289	1.5
145.10104	5.2
147.11688	4.1
149.09627	1.2
149.13274	4.8
159.11684	3.3
161.13268	3.5
163.11247	1.3
163.14777	2.3
165.12576	1.0
173.13272	3.5
175.14778	0.9
177.16374	1.6
187.14832	2.1
199.14462	1.0
219.20801	1.0
243.21104	6.0
261.22122	6.9
271.88696	1.0
286.83789	0.9
317.24695	2.2
335.25818	100.0
336.26138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	3.6
55.05515	18.4
57.03446	19.5
57.07063	3.0
59.04993	2.3
65.03967	2.2
65.30196	2.1
67.05512	75.6
69.07079	15.2
69.45734	12.3
69.46136	3.4
79.05078	2.5
79.05502	35.9
81.07065	68.5
83.04932	2.1
83.08607	7.8
85.06522	2.3
91.05499	19.0
93.07053	39.2
95.04954	2.7
95.08614	59.4
97.06524	5.2
97.10178	2.6
98.20818	4.8
105.07036	14.3
107.08614	20.1
108.61212	1.9
109.09496	2.2
109.10166	23.2
117.07017	5.1
118.51830	2.1
119.08576	12.4
119.76690	2.0
121.10158	16.0
123.11736	10.4
131.08571	6.8
133.10123	9.0
135.11708	10.7
145.10144	3.7
147.11649	6.5
149.13264	5.9
159.11682	4.7
161.13307	4.8
163.14832	2.4
166.79361	2.4
173.13313	3.3
187.14793	2.8
243.21089	3.7
261.22165	6.8
317.24850	2.3
335.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.74298	0.4
55.05507	1.3
57.03418	0.4
65.03924	0.5
67.05513	2.9
67.46799	0.4
69.03435	2.3
69.07056	1.2
70.06582	0.5
71.04991	0.6
78.00546	0.4
79.05476	2.5
79.74282	0.4
81.03426	0.5
81.07063	4.1
83.05023	0.7
83.08635	0.4
84.08128	1.2
91.05488	10.6
93.07056	3.0
95.04969	1.1
95.08632	2.0
97.02899	1.5
97.06520	0.7
98.21519	1.1
103.05457	0.9
105.07038	20.4
107.08581	2.4
109.02894	1.7
109.06516	0.8
109.10160	1.6
111.04438	0.5
111.08092	0.5
115.05418	1.9
116.06211	1.4
117.07027	12.3
119.08584	6.3
121.06550	0.5
121.10153	0.8
123.08115	0.9
123.11698	0.5
128.06239	2.6
129.07007	6.0
130.06859	0.8
130.07797	12.7
130.08769	0.7
131.08577	39.8
133.10162	2.8
135.08076	0.8
135.11710	0.8
136.07571	0.5
137.09598	1.0
142.07852	0.4
143.08572	12.5
144.09349	3.8
145.10132	100.0
146.10635	1.3
147.08029	0.7
147.11649	1.0
149.13268	0.5
152.59430	0.5
153.09093	0.8
155.08502	0.5
156.09393	0.7
157.10156	1.3
158.10909	8.9
159.08038	1.4
159.11661	1.1
161.09642	0.4
168.09373	0.8
171.11688	1.3
173.13275	61.0
174.13589	0.7
183.11691	2.5
201.12759	23.1
205.12216	0.8
213.07884	0.4
219.13828	4.5
258.07407	0.6
271.10889	0.4
274.97452	0.5
287.20093	0.6
299.20184	0.7
335.14960	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01877	2.0
55.05515	17.9
57.03444	15.7
57.07075	3.0
59.60852	0.8
65.03944	2.9
66.70000	0.8
67.05511	65.5
69.03423	1.2
69.07072	18.3
69.98886	3.5
70.51079	0.7
71.04993	6.9
71.08611	0.8
73.05392	0.7
78.30656	0.8
78.67884	0.7
79.05501	38.7
81.07063	70.5
83.04997	2.0
83.08630	8.5
84.93274	0.8
85.06549	2.5
88.49495	0.8
91.05489	29.7
93.07051	49.6
95.04973	7.4
95.08616	55.0
97.06553	3.8
97.10183	3.2
105.04547	1.0
105.07042	31.4
107.08604	27.8
107.09308	1.6
108.87074	1.0
109.06561	3.1
109.10162	20.9
111.08096	2.4
111.11701	1.0
115.05445	1.3
116.06242	1.9
117.07035	7.3
119.08591	30.2
121.10152	23.9
123.08063	3.8
123.11723	7.9
125.09649	1.8
128.06265	2.8
129.05505	1.2
129.07031	3.8
130.07852	2.3
131.08577	28.9
131.09535	1.6
133.10141	30.8
135.08057	5.5
135.11707	14.8
137.09663	3.3
137.13326	1.8
141.07051	1.0
142.07816	4.3
143.08572	10.2
144.09383	1.6
145.10135	20.9
146.10873	1.1
147.08083	0.8
147.11687	8.8
149.09682	2.7
149.13289	7.8
155.08603	3.7
156.09366	6.0
157.10141	12.3
157.11337	1.2
158.10939	5.2
159.11699	9.5
161.09676	1.9
161.13242	5.2
163.11237	0.9
163.14896	3.5
166.07813	1.3
167.08644	1.9
169.10211	4.9
170.10938	2.8
171.11717	10.3
173.13277	19.8
175.11209	1.5
175.14787	5.0
177.16479	1.0
179.08656	1.8
180.09384	1.4
181.10185	3.5
182.10970	2.1
183.11798	3.7
184.12473	1.8
185.13368	3.5
186.14142	1.1
187.14850	10.1
189.12828	1.2
193.10210	1.8
194.11017	2.0
195.11667	5.6
196.12506	1.9
197.13324	4.8
199.14853	8.4
201.16504	0.9
205.16029	1.0
207.11757	3.4
208.12460	1.7
209.13373	3.2
211.14890	3.1
212.15663	3.3
213.12933	1.4
213.16473	1.3
215.14346	1.2
221.13364	4.4
223.14941	2.2
233.13298	1.2
235.14920	3.2
237.16412	2.7
239.17819	0.8
243.21002	4.1
247.14951	1.2
249.16530	1.2
251.18091	1.8
255.17651	0.9
261.16541	1.3
261.22134	9.1
262.17633	1.1
265.19580	1.7
277.19537	2.8
279.17386	1.1
279.23288	0.9
292.21896	1.3
317.25037	4.1
332.98328	0.9
335.25943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05500	1.2
57.07071	0.6
61.82114	0.3
62.31591	0.3
65.03945	0.5
67.04862	0.3
67.05503	2.7
69.03427	1.9
69.07069	0.8
69.53680	0.8
69.54097	1.6
69.88103	0.3
71.04979	0.4
71.08627	0.3
79.05499	2.8
81.03413	2.1
81.07061	4.2
82.03750	0.8
83.04959	0.6
85.06525	0.3
86.09682	0.4
91.05486	12.0
93.07054	3.2
95.04993	1.8
95.08586	2.0
97.02910	0.4
97.06529	0.6
99.08064	0.5
103.05466	1.2
105.07034	21.5
107.08605	2.6
109.02876	1.0
109.06524	1.0
109.10154	1.5
113.05968	0.4
115.05441	1.8
116.06216	1.5
117.07024	12.3
119.07810	0.5
119.08588	5.8
120.05584	0.4
120.08154	0.5
121.06526	0.4
121.10128	1.5
123.08029	0.6
123.11739	0.4
125.09638	0.4
128.06195	2.5
129.07016	6.6
130.07793	12.7
131.08574	35.6
133.10123	2.8
137.09621	1.5
141.06874	0.5
142.07762	1.0
143.08569	12.3
144.09349	3.8
145.10129	100.0
146.10753	1.1
147.08046	0.7
147.11694	0.8
149.09607	1.0
153.06999	0.4
155.06111	0.4
155.08557	0.9
156.09369	1.1
157.10147	1.4
158.10924	9.0
159.07999	1.0
159.11678	1.3
161.09662	0.6
168.09358	0.8
169.10196	0.4
171.11684	1.0
173.13271	57.9
174.13654	0.7
175.14844	0.4
183.11703	1.9
193.12335	0.7
194.12526	1.2
201.12752	20.9
219.13826	3.7
268.16287	0.9
285.17123	0.4
286.17334	1.1
299.20154	0.8
311.68268	0.4
317.21136	0.7
335.14914	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	335.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01886	0.5
55.05492	1.7
65.03941	0.8
67.05510	4.2
69.03421	2.4
69.07061	1.2
70.06595	0.7
71.52837	0.6
79.05492	3.3
81.03409	1.1
81.07061	5.7
83.08622	0.5
84.08131	0.8
85.02924	0.6
86.09708	0.9
91.05486	10.4
93.07069	2.9
95.04952	1.7
95.08593	1.7
95.15965	0.5
97.02885	2.0
97.06516	0.9
103.05498	1.0
105.07041	21.9
107.08592	2.2
109.02883	2.0
109.06517	0.6
109.10161	1.2
111.04424	0.7
115.05456	2.0
116.06237	1.8
117.07022	11.3
119.08579	6.5
120.08115	1.0
121.06512	0.7
121.10162	1.7
123.08079	0.6
127.07545	0.6
128.06219	1.9
129.07011	6.8
130.07794	12.1
131.08575	40.1
133.10115	2.0
135.08034	0.9
135.11691	1.3
137.09613	0.9
142.07828	0.7
143.08566	12.8
144.09358	3.2
145.10132	100.0
146.10622	0.9
147.11687	0.9
149.06035	0.6
149.09578	0.6
153.09094	1.0
155.08601	1.5
156.09349	0.6
157.10161	1.8
158.10901	9.0
159.08096	1.6
159.11667	1.4
163.11287	0.8
164.07097	0.6
168.09404	1.0
168.46167	0.5
171.11714	1.3
173.13272	63.1
174.13661	0.6
175.14833	0.5
179.17674	0.5
183.11714	1.8
185.13217	0.8
191.10599	0.9
201.12761	20.7
205.12242	1.0
217.12236	0.6
219.13814	5.1
271.10846	1.2
275.20279	0.6
287.20135	1.4
299.20160	0.6
317.14966	0.8
317.21188	1.1
335.14984	31.4
336.15240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0743
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.70774	2.9
52.56910	2.9
56.37484	2.8
56.96569	44.9
69.03423	2.7
69.87410	4.5
69.87756	11.8
70.98126	39.9
88.99168	21.7
95.55178	2.5
98.21426	4.8
98.97594	75.6
101.00879	3.9
110.97575	12.6
112.99149	6.2
113.03492	11.4
116.98621	14.7
119.01892	4.1
124.95512	3.5
128.98621	42.8
131.00150	5.6
131.01921	6.7
132.10185	3.2
140.98576	4.8
143.01920	3.2
145.03448	4.2
145.42381	3.3
146.99638	36.0
154.96533	18.2
158.99670	17.4
165.00677	14.1
170.95987	4.7
172.97610	41.2
173.02983	5.6
174.99236	4.1
177.00768	20.5
177.04399	4.9
186.99117	5.3
188.97139	4.9
189.00758	20.1
189.02271	5.2
190.98683	22.8
195.01765	3.6
200.97150	4.6
201.00731	3.4
202.98633	3.2
205.00151	13.6
207.01801	11.0
214.98663	12.1
218.98148	10.5
219.01819	28.4
223.01227	6.4
231.01816	4.3
232.99715	38.7
235.01271	5.0
236.99237	3.7
237.02859	9.8
243.96179	2.9
247.01149	8.0
251.00864	15.0
265.02103	4.0
275.00760	28.6
293.01779	13.1
293.05185	4.4
293.11139	3.0
299.61371	3.1
303.00247	5.3
303.05630	6.4
335.03387	3.3
335.07382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.85398	2.7
55.16248	2.5
69.58179	2.4
70.42143	9.4
71.36156	2.5
82.57333	2.5
87.47825	2.2
106.05664	2.6
204.77348	2.6
210.20601	3.0
222.20808	3.0
237.92102	2.9
260.89624	6.3
327.25848	3.0
335.04059	3.5
335.07416	100.0
335.10751	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01861	2.0
55.05514	5.6
56.05034	1.0
57.72663	0.6
65.03947	0.8
67.05491	1.8
69.03439	1.1
69.07028	0.7
70.06605	6.2
71.51769	0.9
72.08142	2.1
76.74995	0.6
77.95509	0.7
79.05482	1.5
80.05037	1.6
81.03416	1.9
81.07050	0.7
83.06094	2.0
83.08632	8.1
84.04523	4.4
84.08143	2.1
84.08982	1.0
85.02909	0.8
85.04848	1.1
86.09698	3.9
87.10021	0.8
88.98649	0.6
91.05473	1.9
93.03381	0.8
93.07034	0.8
94.06555	1.0
95.04954	1.3
95.08591	0.9
96.04497	1.6
97.02866	1.3
97.06528	1.0
101.09682	0.9
105.07031	0.8
108.04479	1.5
110.07224	0.8
116.07094	1.7
118.06538	6.3
119.06869	1.4
119.08587	1.1
120.04472	1.5
120.08091	2.4
122.06054	4.1
124.03925	2.1
124.07623	1.0
129.06535	3.1
130.05003	1.1
130.06534	1.5
132.08095	4.6
136.03957	1.2
136.07576	5.2
142.06566	0.8
143.07338	1.0
143.08504	0.8
144.08073	5.8
145.08508	1.9
146.06015	16.3
147.04428	0.9
147.06383	5.1
147.09178	0.7
148.03963	1.2
148.07578	1.0
150.05569	1.2
152.07176	0.8
152.36861	0.6
154.05022	0.9
155.10730	0.8
156.08076	2.1
157.08908	1.4
158.08392	4.3
158.09712	2.2
159.09224	1.6
160.07585	2.8
160.09653	1.1
161.10785	0.6
162.09203	0.6
164.07054	1.7
168.08040	1.3
170.05992	2.5
170.09637	3.6
171.09174	0.7
172.07608	6.4
172.09947	2.0
172.11240	1.5
173.10728	3.0
174.07875	1.7
174.09171	3.1
175.08688	4.8
180.08063	0.8
182.08179	0.9
183.06699	0.7
183.09189	1.0
184.06107	0.8
184.07608	9.6
185.07004	1.4
186.07861	1.0
186.09198	6.1
186.13347	0.8
187.08656	1.3
187.12321	6.7
188.07094	24.0
188.09430	1.3
188.10812	0.9
189.07430	10.1
189.10168	3.1
191.14203	0.7
196.07597	0.8
197.10779	1.0
198.09164	10.4
199.08621	2.9
200.07100	10.0
200.09444	4.4
200.11009	1.2
201.10255	10.5
205.09679	1.9
206.10077	3.0
211.08691	4.2
212.07094	2.6
212.12849	2.5
213.06569	2.4
213.10236	2.0
214.07185	2.3
214.08704	3.6
214.10889	1.3
215.08417	3.0
215.11801	17.9
216.08824	1.5
217.09698	5.5
225.10246	3.6
226.08672	6.0
227.08186	8.9
228.06546	2.2
228.08987	3.7
229.09738	26.8
230.10410	1.3
231.11394	1.1
239.08177	2.1
241.09773	2.1
242.10426	3.0
243.11316	33.6
245.09250	27.8
245.11856	1.1
253.09796	6.4
254.08174	1.3
256.08310	0.8
257.09229	10.6
258.10086	1.7
259.10818	6.4
260.09048	1.1
261.12323	1.8
271.10791	100.0
272.11127	1.2
273.12515	4.1
281.09253	13.4
284.87637	0.7
287.10291	27.0
288.10699	0.8
289.11877	16.3
299.10284	29.6
305.08139	1.1
305.11334	10.7
310.10080	1.6
317.11319	29.9
318.11731	0.7
335.11755	15.3
335.15540	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56394	7.8
56.96552	12.1
58.95118	7.6
61.56284	7.5
70.76265	18.6
71.45412	7.4
80.97112	6.5
89.45847	8.3
98.97566	10.9
99.67521	7.6
110.97594	7.2
128.36044	9.3
128.98625	10.2
163.03900	24.6
176.85963	7.2
237.00674	18.6
335.07388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33254	1.0
56.96566	54.6
62.18781	0.9
69.88176	3.9
69.88567	2.1
70.98122	68.0
71.95261	1.7
74.97598	1.3
79.54208	1.0
84.96038	2.2
88.99154	14.1
98.97578	30.9
99.92445	1.0
110.97533	3.5
113.00903	1.2
115.00725	1.4
116.03342	1.0
116.98618	6.6
117.65797	1.0
128.98604	33.1
130.50017	1.0
145.01691	2.5
146.99655	32.7
154.96509	44.8
155.00130	1.6
158.99588	1.1
165.00722	12.6
170.99576	1.3
172.97588	100.0
173.01154	6.1
182.96129	2.9
186.99170	9.5
189.00793	1.5
190.98645	57.0
191.02203	6.5
200.97061	16.0
203.02203	1.8
204.98233	1.5
205.00208	29.7
208.99760	5.7
213.00682	2.5
214.00145	1.7
214.98608	24.6
218.98117	25.0
222.68541	1.0
223.01253	12.3
231.01743	2.7
232.99686	94.0
236.99149	4.3
242.98160	1.5
247.01277	9.7
250.98083	1.7
251.00748	30.7
256.01297	1.5
260.99164	2.7
265.02374	1.5
269.01935	1.8
275.00711	45.5
293.01797	39.5
311.02765	2.0
316.03384	1.8
335.11868	1.0
338.00098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
55.93523	0.6
56.05024	1.4
56.96548	0.6
58.06596	2.0
60.04509	0.6
61.01130	0.7
67.05516	1.2
69.03432	0.8
69.07055	1.0
70.02964	0.5
70.06596	8.5
70.08616	0.6
71.15833	1.3
71.66735	0.5
72.04524	2.8
72.08158	17.2
72.93787	0.6
74.06084	0.9
79.05517	0.6
79.37950	0.5
81.03432	0.7
81.07072	0.9
83.04978	1.3
83.06111	0.9
84.04516	3.6
84.08126	4.7
85.02898	1.5
86.09718	6.8
86.10193	0.9
87.10057	0.7
88.02194	1.0
88.03992	0.7
91.05486	7.5
95.04971	1.3
95.06107	0.9
97.02861	0.8
98.06075	0.6
98.97604	0.6
98.98454	0.9
99.09274	0.6
100.07621	44.6
102.05498	0.6
104.05352	1.6
109.10160	4.5
110.07149	0.6
112.11260	1.7
114.09171	4.0
117.10275	2.7
118.06557	0.6
119.04946	22.4
119.05797	1.1
119.08604	0.8
120.08118	2.3
121.06446	0.6
127.07639	0.7
129.10301	1.2
130.04977	0.9
130.06505	1.1
130.08665	0.8
131.11826	0.6
132.01140	0.7
132.08078	0.7
136.07600	2.6
137.05977	2.2
137.09616	1.1
138.06349	1.3
140.07085	0.6
144.08112	0.9
146.05995	2.2
147.04420	100.0
155.11842	0.7
163.03952	0.8
167.07040	1.2
168.07353	1.0
171.14938	10.6
172.03958	0.9
172.09767	0.8
172.11562	1.7
188.07114	4.2
188.17592	17.1
189.07359	0.6
190.04977	2.0
199.00455	0.7
200.03459	0.9
204.10217	21.0
205.09738	1.1
217.13815	3.9
218.04546	0.7
218.11732	4.0
235.14099	0.7
244.16701	0.8
245.13231	1.4
246.19730	1.6
258.01923	0.7
270.11765	1.0
271.10855	0.7
298.10895	0.6
299.09729	0.9
316.12573	1.9
317.10938	1.5
317.14990	0.6
317.18555	2.2
321.52554	0.7
334.13150	8.2
334.21268	96.5
335.21487	1.0
353.00958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55230	0.6
53.03957	0.6
55.05511	5.3
56.05043	4.1
56.96569	1.1
57.03436	0.8
57.07084	3.0
58.02967	0.7
60.04531	100.0
65.03944	0.7
67.05508	11.0
68.05022	1.2
69.07076	7.7
70.06603	2.1
70.08110	2.8
71.05004	1.4
71.08645	1.3
72.04527	3.4
74.06085	2.6
78.73361	0.6
79.05506	4.9
80.05028	1.2
81.03419	1.2
81.07063	11.4
82.06587	1.6
83.04989	1.0
83.08630	8.2
84.08163	0.8
85.06561	1.1
85.10169	1.1
90.05576	1.5
91.05491	2.5
93.07054	4.3
93.07584	0.6
94.06563	1.4
95.04977	1.2
95.08611	13.0
96.08139	1.4
97.06534	1.0
97.10181	3.6
98.98493	0.8
102.05573	2.3
105.07030	2.2
107.08606	1.7
109.10161	6.9
111.08108	0.8
111.11733	1.5
115.27634	0.7
116.07123	1.8
119.08622	1.5
121.10163	2.7
123.11753	2.1
133.10159	1.0
135.11760	1.0
137.13240	0.9
147.11719	1.1
161.13278	0.7
221.22737	1.1
239.23636	1.9
250.25432	1.4
262.25443	1.9
263.23730	1.1
268.26486	0.9
280.26419	8.9
281.24615	0.8
298.27405	17.1
307.08154	0.8
316.28482	48.1
317.29053	0.9
334.29550	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89063	0.5
55.05503	0.5
57.07076	0.5
58.34359	0.5
67.05489	1.6
69.07066	0.9
69.23669	4.5
79.05497	1.3
81.07053	1.6
88.07654	0.5
91.05477	1.3
93.07040	0.9
95.04973	0.7
95.08578	0.9
98.21133	2.3
98.98471	21.4
100.98845	1.0
105.07036	1.1
107.08617	0.6
109.02906	0.8
109.10185	0.6
117.07188	0.4
119.08577	1.0
126.46535	0.5
131.08510	0.5
133.10135	1.1
145.10152	0.6
147.11751	0.6
152.66522	0.5
173.13231	0.4
176.98891	3.2
195.10001	0.8
225.59920	0.5
227.37430	0.5
254.99437	0.6
260.60117	0.5
315.19394	0.4
333.20377	100.0
334.20639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11047	0.7
55.05493	2.0
57.03406	0.8
57.07059	1.2
59.63298	0.7
67.05489	2.7
69.07069	1.4
70.70355	2.3
79.05486	2.2
81.03440	1.2
81.07029	1.9
83.04981	0.9
91.05492	2.4
93.07021	2.2
95.04930	1.3
95.08595	3.3
98.98470	10.5
105.07024	2.0
107.08587	1.4
109.02921	1.3
109.10151	1.6
119.08586	1.5
121.10126	1.1
129.06998	0.8
131.08568	1.8
133.10135	1.3
135.11713	1.3
137.02296	1.1
145.10101	1.2
147.11665	1.0
149.13264	0.9
159.11737	1.0
173.92979	0.7
176.98952	1.7
193.05032	1.5
247.12952	1.7
315.16040	1.2
315.19357	6.5
333.20386	100.0
334.23865	1.0
334.29474	0.9
355.34302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82431	0.5
52.33901	0.5
53.03941	0.8
55.01872	1.5
55.05517	2.9
56.51622	0.6
57.03431	1.3
57.07064	0.8
65.03934	0.9
67.05510	6.8
69.07061	2.3
69.29365	0.5
69.31676	0.5
69.47380	0.5
71.01353	0.7
79.05503	5.5
81.03405	1.8
81.07062	5.6
83.04967	0.9
83.08617	0.6
91.05494	6.2
93.07049	5.3
95.04942	1.3
95.08606	5.6
97.02892	0.7
97.06490	0.7
98.98481	6.4
105.07042	6.6
107.04944	2.0
107.08592	3.5
109.02869	0.8
109.10168	3.0
111.04456	1.1
115.05425	0.8
117.07042	3.0
119.08575	4.8
121.02859	2.5
121.06499	1.1
121.10161	1.3
123.04398	1.3
123.64729	0.5
127.03892	0.8
129.07002	2.2
131.08586	2.8
133.06500	1.5
133.10098	3.5
135.04396	1.0
135.11665	1.0
137.02341	3.2
137.05937	0.6
141.07005	0.7
143.08530	1.7
145.06485	2.0
145.10126	1.6
147.08055	1.7
147.11636	1.5
149.06038	0.6
149.13274	1.8
153.05496	1.5
157.10141	1.7
158.07306	1.2
159.08058	1.7
159.11703	1.2
161.09666	0.7
161.13304	1.3
165.05482	1.9
167.03448	0.7
169.10109	0.7
171.08072	1.2
171.11700	1.2
173.09720	1.2
173.13277	0.9
175.11115	0.7
175.14856	1.0
176.98932	0.8
179.07051	0.8
185.04407	0.7
185.09590	0.8
187.11200	0.6
195.06586	2.3
197.24384	0.7
198.55574	0.6
205.08676	0.9
207.10120	0.8
213.16565	1.0
219.10013	0.9
241.15877	1.1
241.19615	0.6
259.16907	1.6
259.20667	0.7
303.19669	1.4
315.19553	3.4
315.23001	0.6
333.20419	100.0
333.24017	5.3
334.20700	1.1
347.85901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2635
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.01867	2.6
55.05513	20.1
57.03453	2.3
57.07063	5.1
65.03928	3.0
67.05509	70.7
68.05799	2.1
69.03423	2.3
69.07073	33.0
69.48235	4.8
69.48638	12.6
71.04977	8.8
79.05504	29.0
81.07057	91.6
83.04969	3.9
83.08614	15.1
85.06545	6.5
91.05495	12.7
93.07053	32.1
95.04940	5.4
95.08610	82.4
97.06506	8.9
97.10170	12.7
98.98471	29.6
105.07050	13.3
107.08604	21.2
109.06496	4.4
109.10159	41.9
111.08097	3.8
111.11687	3.5
117.07011	3.1
119.08599	13.7
121.10143	24.3
123.08075	5.1
123.11713	17.3
125.05988	2.5
125.09622	4.8
129.07013	2.2
129.58725	2.0
131.08557	7.6
133.10132	9.3
135.08063	7.3
135.11699	13.2
137.05963	7.6
137.09636	2.8
137.13237	7.2
139.11275	3.8
145.10118	8.5
147.11711	12.5
149.09564	3.7
149.13266	6.5
151.07504	2.5
151.11227	2.8
151.14883	3.0
153.09109	2.5
157.10132	3.1
159.11682	8.9
159.13702	2.3
161.13223	8.7
163.14828	3.9
165.12770	6.5
167.07016	8.2
171.11484	2.8
173.11838	4.1
173.13261	6.5
174.35503	2.2
175.14842	3.1
176.98914	3.4
177.16388	2.8
179.14311	3.3
182.41301	2.4
187.14783	4.0
220.03310	2.3
223.16917	3.8
243.21068	11.3
261.22122	21.7
279.23196	100.0
297.24222	9.3
315.19418	3.6
333.20572	8.2
333.24377	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03952	4.6
55.01867	6.5
55.05504	6.6
56.05037	2.1
57.03430	11.2
57.07082	21.5
59.05004	14.0
60.04528	2.8
61.02938	15.3
67.05506	13.5
68.96011	1.6
69.03435	35.3
69.07073	12.5
70.03059	8.0
70.06598	4.4
71.05009	9.7
71.08636	2.1
73.02921	6.8
75.38992	1.5
79.05510	4.0
81.03418	16.5
81.07075	9.2
83.01360	2.1
83.04967	3.5
83.08636	5.8
84.04512	12.1
84.08150	5.7
85.02912	100.0
85.06550	13.6
85.10178	2.6
86.06097	3.0
86.09715	15.8
87.04469	6.5
87.10031	5.8
88.11275	7.4
91.03941	4.6
91.05489	4.3
93.07054	11.0
95.04990	5.0
95.08618	73.9
96.79649	1.7
97.02899	30.0
97.06544	10.6
98.06039	3.8
98.97662	2.1
98.98472	12.2
99.04454	8.3
99.08092	18.7
104.07072	2.4
105.07021	2.9
107.08621	12.8
109.02892	12.1
109.06524	12.6
109.10175	21.4
111.04476	2.3
111.08100	12.5
111.11710	2.9
113.09653	98.5
115.03926	2.1
115.17812	1.8
119.08590	2.6
121.10164	3.8
123.05578	2.0
126.96858	1.5
127.03931	20.4
127.11205	53.4
128.10716	1.8
130.05006	2.2
132.10251	2.0
133.04990	2.3
133.10181	2.0
135.11707	20.0
136.03949	4.2
137.05960	5.3
137.09586	2.1
137.13277	6.9
140.03062	1.9
145.04976	22.9
149.09639	1.8
151.11090	1.7
153.12758	99.4
154.05032	2.2
154.12265	23.0
155.14336	19.6
159.11687	2.8
162.04279	1.6
167.07031	4.3
171.13817	68.4
171.15288	3.7
173.12883	11.9
174.07642	7.4
174.13301	8.7
177.12747	4.3
187.11140	2.1
201.10268	7.0
201.12216	3.2
202.12704	2.7
212.13655	2.6
213.14871	5.2
217.15598	2.4
227.11853	5.5
228.12604	3.1
269.12817	3.7
279.15857	2.2
287.13867	6.9
289.18634	1.9
297.16815	2.4
303.04956	5.8
315.13138	3.5
315.20068	11.6
333.19351	8.8
333.24747	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	333.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25184	1.1
55.01874	7.9
55.05516	4.4
56.05040	1.4
57.03435	1.1
67.05508	2.7
68.05021	1.9
68.05837	1.0
69.03416	2.8
69.07055	3.2
70.06580	4.6
71.04987	1.2
71.51971	1.5
72.08158	17.4
73.02920	1.1
73.06544	1.7
74.02437	2.6
79.05495	2.8
81.03436	2.9
81.07059	4.1
82.02932	2.8
82.06593	1.0
83.04977	3.3
83.08627	2.0
84.04517	18.3
84.08141	4.0
85.02905	6.3
85.04067	0.9
85.06559	1.4
86.06079	3.7
86.09708	5.9
87.04479	5.6
87.06403	1.2
88.03988	3.2
88.04811	1.5
88.11288	1.2
90.09201	0.9
91.05495	2.3
93.07074	2.4
95.04957	1.8
95.08607	2.6
96.04481	2.1
97.02883	1.5
97.06533	1.9
98.06061	7.7
98.97588	1.0
98.97819	0.9
98.98470	10.3
99.06374	2.2
99.08053	1.5
102.05546	2.2
104.07104	2.1
105.06957	1.2
107.08572	2.1
109.02921	1.0
109.06520	1.6
109.10159	2.0
110.09689	12.2
115.05458	1.3
118.06557	11.7
119.04938	1.3
120.08112	3.1
121.10150	2.0
124.07597	0.9
125.09676	0.9
126.12828	2.3
127.03922	1.8
127.11182	2.3
129.06993	1.6
129.10268	1.8
130.05028	1.9
130.06540	11.4
131.07324	1.5
131.08621	1.6
132.10202	1.2
135.11678	1.0
137.05983	2.4
138.09135	18.6
142.06561	1.8
142.08607	1.2
143.08620	1.4
143.15480	2.1
144.08101	2.3
144.10242	1.8
146.06006	3.1
147.04440	6.9
149.09700	1.3
150.09978	1.9
153.12738	5.2
154.06516	8.7
154.12279	2.7
155.07297	3.9
155.14301	1.2
156.08084	3.8
156.10210	5.7
166.08682	1.4
167.07256	5.4
168.08101	57.0
169.08835	1.1
170.06007	5.1
170.08223	2.0
170.09663	32.8
171.09146	1.0
171.13831	2.4
172.07593	12.8
174.11279	19.8
176.98978	1.8
180.08092	7.9
182.06104	1.5
182.09604	2.4
184.07550	1.9
185.13606	1.8
186.09140	26.3
188.07094	4.0
194.05934	1.4
194.12543	0.9
195.09267	1.1
196.07594	48.3
197.10834	1.2
198.09232	4.4
199.08673	14.1
200.07031	11.0
207.15678	1.2
208.07545	2.9
210.09206	1.8
211.15312	1.0
212.07170	2.4
212.13660	1.5
214.06926	0.9
214.08649	26.4
216.10252	14.0
217.09737	100.0
218.42972	0.9
219.13683	1.1
223.08653	3.3
224.07013	7.3
225.10202	3.1
226.08675	4.1
227.67426	0.9
236.07106	1.8
238.05080	1.4
242.08089	9.5
243.11307	2.5
251.17502	2.2
253.16312	3.8
255.13422	2.5
256.06110	4.2
258.03976	0.9
260.09201	56.9
269.09216	3.6
270.07776	3.4
271.17072	2.0
272.09152	8.4
287.10300	2.1
288.18185	2.1
289.11890	11.8
289.18610	13.8
297.18091	19.6
315.09863	1.4
315.19888	17.4
316.08124	8.0
333.10880	13.3
333.14352	2.7
333.20407	22.1
333.24603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
56.05022	0.6
56.96553	0.5
58.54468	0.4
66.22121	0.4
66.69070	0.4
67.05510	0.9
69.03413	0.5
69.07050	0.6
69.75532	0.4
70.06601	3.9
71.05001	0.4
71.52315	0.4
72.08162	2.5
73.74287	0.4
74.06048	0.5
79.05490	0.7
81.07054	1.0
84.04496	1.7
84.08152	2.8
85.02911	1.1
86.06055	0.5
86.09713	3.6
91.05464	1.1
92.34436	0.5
93.07108	0.5
95.08585	0.5
97.02886	0.7
98.06087	0.5
98.98471	6.7
105.07064	0.6
107.04961	0.5
107.08566	1.1
109.06454	0.5
110.07157	0.8
116.07059	0.4
120.08078	1.7
120.08885	0.4
123.04420	0.5
124.91369	0.4
126.06627	0.6
129.10240	0.9
130.06522	1.3
132.08090	0.7
135.04384	0.6
135.08102	0.5
136.04767	0.7
136.07590	0.7
137.05936	1.3
144.08090	0.6
146.06047	0.8
147.04413	2.1
153.09126	0.5
159.09132	1.0
167.07094	1.3
168.08034	1.1
169.07651	0.7
170.06001	1.0
170.09633	1.0
171.10052	2.2
172.07628	0.5
176.98883	0.9
177.02074	0.5
180.08081	0.5
181.07414	0.6
186.09142	0.6
188.07007	1.2
195.09134	0.5
196.07585	1.4
197.07124	3.0
199.08548	0.6
200.07101	0.4
204.10229	0.7
214.08627	0.5
217.09749	2.6
227.08124	0.8
241.09633	0.7
243.07681	1.3
244.10916	0.5
253.05238	0.5
260.09128	1.3
269.09131	1.0
273.08612	1.0
287.10446	0.5
297.08777	0.9
315.09671	4.5
333.10846	7.1
333.15164	100.0
334.15402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05513	1.2
56.05017	0.6
57.03453	0.7
57.07077	0.5
58.99588	1.9
60.04527	20.0
60.08148	1.0
67.05508	2.1
69.03457	0.8
69.07072	2.2
70.02948	1.1
70.06597	2.0
71.05009	0.5
71.51830	0.9
72.04534	0.6
72.08135	0.8
76.02242	1.7
76.04012	0.9
79.05493	1.0
81.03417	1.4
81.07059	2.4
83.08598	0.6
84.04508	8.9
84.08145	1.4
85.02905	0.7
85.04787	0.5
86.00663	0.9
86.06063	2.7
86.09711	81.3
87.04472	2.1
87.05598	13.9
87.10048	0.8
88.03972	0.6
91.05491	2.6
93.07045	2.7
94.06561	0.7
95.04961	1.1
95.08604	1.2
97.02908	0.5
97.06522	0.8
98.06057	1.0
98.98472	4.7
100.11274	0.6
104.07110	1.6
105.00089	0.8
105.07043	1.3
107.08625	0.7
109.02870	0.7
109.06516	0.6
109.10142	0.5
119.08593	0.9
120.08118	3.3
121.10190	1.1
122.02728	1.7
126.05522	0.7
128.10721	10.1
130.05005	4.4
131.08531	0.5
132.01146	1.8
132.10213	6.0
133.10139	1.9
135.08066	0.7
136.07602	0.7
137.05984	0.7
140.89931	0.5
142.03203	0.9
147.04367	0.8
147.11656	0.5
149.09625	0.9
151.07570	0.7
160.11177	0.7
173.12869	100.0
178.12357	0.6
179.04921	0.6
193.12244	1.3
201.12352	35.3
202.12517	0.6
210.15154	0.5
211.13330	1.9
211.59117	0.6
219.13345	0.6
243.10786	0.7
245.18544	2.3
252.15776	1.1
254.58040	0.5
256.10602	0.5
282.11584	0.8
288.18094	1.0
295.10272	0.6
314.14172	0.9
314.19577	5.1
323.13345	0.6
332.11816	0.7
332.20996	1.0
332.24402	11.4
338.17715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87146	0.6
55.01865	0.9
55.05503	2.8
56.05029	2.4
57.03439	0.7
60.04227	1.1
60.04528	19.8
67.05518	3.6
67.41535	0.7
68.05036	0.8
69.03421	2.9
69.07071	8.1
69.91486	0.6
70.02953	1.3
70.06581	2.0
71.04988	1.7
71.15380	1.3
72.38770	0.7
76.02222	0.7
79.05492	2.6
81.03437	3.3
81.03817	0.7
81.07053	6.2
83.04972	2.0
83.08609	1.9
84.04513	5.4
84.08150	1.3
85.02895	1.5
85.06540	1.1
86.06081	11.4
86.09710	81.6
87.03949	0.7
87.04473	11.1
87.05597	10.8
87.09999	0.8
91.05478	3.0
93.07061	4.1
95.04971	1.5
95.08609	3.0
96.08107	0.7
97.06539	1.6
98.06042	6.4
98.98485	3.8
102.05545	1.1
104.07107	11.7
105.06553	1.4
105.07105	1.3
107.08599	2.5
108.08131	1.0
109.06528	1.5
109.10159	1.0
110.09679	1.3
111.08095	0.9
112.07630	3.5
116.07175	1.0
117.03388	1.6
121.06501	2.8
121.10168	2.1
122.02719	2.1
123.11714	0.9
124.07593	2.1
124.12080	0.8
126.05505	1.5
128.10712	13.0
130.05019	1.1
131.08565	1.7
132.10187	4.6
139.11172	0.8
140.07048	0.9
142.08661	1.4
145.02824	3.8
147.11673	1.7
149.09622	6.5
154.12276	0.9
155.11713	0.9
157.10181	1.0
158.08110	1.4
165.12755	0.8
169.12253	2.0
170.12566	3.7
173.12872	100.0
175.11180	0.9
177.05481	5.2
182.15485	0.8
184.13322	1.0
193.12245	4.5
195.13890	0.9
201.12354	32.1
209.40680	0.6
210.14957	3.4
211.13313	8.6
213.48903	0.7
218.12802	0.8
219.13419	2.7
224.16406	0.7
228.55980	0.8
252.15939	1.6
260.16525	1.4
262.17764	0.7
268.19012	1.1
270.17059	4.5
278.17517	1.8
288.18015	6.8
296.18646	2.1
303.05005	1.7
314.13718	2.4
314.19620	51.9
332.13773	0.9
332.20700	1.9
332.24335	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	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45517	1.0
55.01866	1.5
55.05500	4.1
55.20126	1.0
56.05028	3.5
57.03440	1.4
67.05524	5.8
67.05786	1.1
69.03435	5.6
69.07056	2.4
70.06602	8.5
70.56176	2.9
70.56509	1.3
71.04981	4.4
71.37242	1.0
72.08154	3.8
74.06078	1.8
79.05499	5.3
81.03406	3.5
81.07063	11.2
82.06580	1.8
83.04986	6.0
83.08599	1.9
84.04517	6.6
84.08140	2.7
85.02902	1.3
85.15681	1.1
86.06075	40.0
86.09704	3.9
87.04477	36.8
87.43437	1.2
89.63531	1.0
91.05470	3.4
93.07048	11.1
94.06552	1.3
95.04951	2.7
95.08627	5.9
96.08112	2.0
97.06516	4.8
98.06064	73.8
98.98460	4.8
100.07614	1.3
104.07124	17.2
105.07026	2.5
107.08581	3.9
109.06561	1.6
110.09685	2.0
112.07600	3.7
118.36622	1.0
119.08588	2.6
121.06522	2.0
121.10151	8.9
123.08044	1.2
124.07590	4.0
126.05512	14.5
131.08594	3.0
133.10167	1.5
138.09090	1.6
138.12769	3.1
139.11131	2.0
140.07033	2.2
142.08644	5.4
145.02826	1.6
149.09631	20.8
154.08673	5.2
158.08145	2.3
163.03905	1.2
166.12282	6.0
167.10675	1.4
170.11757	4.4
173.12900	1.6
175.11182	1.4
177.05453	3.5
182.11964	1.2
182.15303	1.2
184.13354	9.0
188.07471	1.3
193.12198	4.7
195.13834	1.9
201.12427	1.1
202.14491	1.5
206.15443	6.2
210.14928	5.3
211.13437	7.1
224.16463	7.2
234.14938	4.8
252.15974	31.5
268.18863	1.1
270.16986	8.5
278.17468	2.2
288.18073	96.1
296.18539	2.7
314.19635	100.0
332.12137	1.2
332.16858	2.3
332.20691	39.2
332.24551	2.6
333.20724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05515	3.2
55.63484	0.7
56.05019	2.7
58.06601	0.7
58.99564	0.9
67.05503	5.4
68.05007	0.9
69.03439	3.5
69.07060	2.8
70.04746	1.4
70.05144	1.1
70.06582	2.0
71.04981	2.1
72.08146	0.8
76.04002	0.9
79.05494	6.1
80.05023	1.2
81.03426	5.3
81.07066	9.1
82.06590	1.4
83.04996	3.4
83.08611	2.8
84.04512	8.4
84.08140	1.4
85.02900	1.7
85.06516	1.2
86.06068	22.5
86.09703	2.8
86.35637	0.6
87.04474	22.3
91.05475	4.3
93.07043	6.8
94.06582	1.0
95.04968	1.8
95.08620	4.9
96.04497	0.7
96.08124	1.2
97.06516	4.7
97.10168	0.9
98.06054	7.1
98.98493	0.9
102.05537	2.1
104.07109	18.5
105.07013	2.7
107.04971	1.1
107.08592	2.8
109.06502	0.8
109.10153	0.9
111.08073	2.0
112.07613	6.8
119.08575	2.4
121.10158	3.5
122.02703	1.8
123.11752	0.7
124.07574	2.9
125.09634	0.8
126.05510	1.5
126.09095	1.0
130.04945	1.8
131.08566	2.2
133.10106	2.0
135.11687	1.1
137.09576	0.8
138.12794	1.8
140.07069	1.4
142.08650	3.0
147.11694	3.3
149.09621	10.6
154.08592	0.7
157.10133	1.2
158.08147	3.1
165.12740	2.0
166.12289	1.9
173.12825	1.1
175.11217	2.5
177.12767	0.9
179.11832	0.7
180.12141	0.9
182.15468	1.3
184.13322	2.2
193.12251	6.1
195.13835	1.3
197.12863	2.0
198.13171	5.4
201.12428	0.8
210.14917	6.3
211.13315	13.5
212.16537	1.4
213.14983	1.0
224.16484	1.2
228.15977	1.9
250.18037	1.3
252.15974	2.6
260.16492	2.0
268.19110	1.1
270.17004	8.2
278.17569	3.7
288.18051	6.6
288.97318	0.8
296.18619	2.7
303.04956	1.5
314.19623	100.0
315.19791	1.2
323.13318	0.9
332.20651	2.7
332.24329	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	331.2845
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05508	9.5
57.03431	5.0
57.03683	0.9
57.07080	67.8
67.05508	17.9
68.90688	1.1
69.07072	13.6
69.82577	3.6
69.82977	1.9
71.08636	47.4
73.82140	1.0
75.04491	2.2
79.05487	1.3
81.07059	26.7
83.08626	18.0
85.10188	27.9
91.05489	1.3
93.07010	1.2
95.08612	40.4
97.10174	8.7
98.98473	100.0
100.98918	2.6
101.06117	1.1
105.07051	1.4
107.08609	2.2
109.10171	20.1
111.11731	2.0
116.99545	1.7
119.08624	1.3
121.10141	1.7
123.08075	1.5
123.11729	9.0
125.13274	2.7
127.03913	5.8
137.13312	5.8
137.14156	1.0
139.14745	1.2
140.01093	1.4
151.14854	1.7
161.09596	1.2
163.62982	1.1
174.99185	5.4
176.98918	7.6
221.22620	2.1
239.23721	20.1
245.04333	1.7
252.99733	2.2
257.24786	4.8
272.81088	1.1
273.03973	1.4
301.03439	4.0
313.27408	55.0
316.05801	3.6
331.08145	10.6
331.34039	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	332.1344
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03934	0.7
55.01854	0.5
56.96564	2.4
57.03437	1.5
61.02929	2.7
65.03944	1.0
67.05514	2.4
69.03429	6.0
70.22891	1.0
70.23289	1.0
70.98106	1.0
73.02915	1.8
79.05504	1.1
81.03428	2.5
81.07055	0.8
84.08127	1.1
85.02912	6.9
86.09702	1.9
87.04478	1.7
92.04980	0.5
93.05805	0.7
96.08130	1.1
97.02876	4.2
98.97578	3.7
99.04483	0.6
103.00592	0.5
106.06558	5.3
108.08121	100.0
109.02899	1.0
109.08442	0.7
110.97565	0.6
116.98621	0.5
123.06794	3.9
124.07600	15.5
126.97975	0.5
127.03931	0.8
128.98586	0.6
129.02383	0.4
134.06023	9.8
136.07581	14.4
140.13672	0.5
145.04991	0.7
150.05478	0.6
152.07071	70.9
154.08592	1.2
161.01091	0.6
170.08127	7.5
170.09428	0.7
172.97636	0.5
177.00833	0.5
187.47629	0.4
217.02213	0.5
218.94774	1.2
218.98528	0.5
219.01909	0.5
236.95840	1.7
254.96840	0.5
272.08173	0.5
281.03973	0.5
307.96902	0.7
314.12335	39.6
332.13416	67.5
333.13620	0.6
350.04233	0.9
350.08167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
57.03429	3.2
67.05513	3.7
69.03429	9.0
69.07066	13.6
71.04970	2.4
71.52487	3.4
79.05476	7.6
79.58109	1.5
81.07055	34.5
85.06546	4.6
87.07455	1.5
91.05482	6.3
92.93900	1.5
93.07040	19.3
95.08595	8.5
97.06523	3.3
98.98473	11.8
105.07036	12.5
107.08595	61.3
109.06530	20.9
109.10172	3.4
111.11707	2.5
119.08543	3.1
120.08067	1.9
121.06508	1.9
121.10155	15.4
123.08060	5.0
135.08142	1.7
135.10707	2.7
135.11691	36.2
136.06184	8.1
136.92102	1.7
137.09622	3.8
137.13301	2.4
139.11172	14.2
145.10112	13.5
153.12737	7.5
163.11179	64.3
181.12234	100.0
181.29321	1.8
199.13332	16.5
281.56970	1.9
297.13330	4.0
314.45831	1.5
315.14413	9.9
332.08505	2.2
332.21091	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	332.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01887	1.5
55.05512	5.5
56.05043	3.4
57.03447	0.8
65.03961	0.8
67.05513	3.8
68.05029	2.2
69.03451	3.5
69.07086	2.5
70.06600	9.7
71.05005	2.4
71.51679	0.9
72.08162	11.8
74.06094	4.9
78.74284	0.6
79.05501	5.5
80.05016	1.3
81.03445	2.4
81.07056	7.1
82.06582	1.0
83.05005	4.7
83.08633	3.8
84.04507	4.9
84.08169	3.6
85.02918	1.1
86.06076	33.1
86.09714	7.1
87.04480	25.1
88.04025	1.0
91.05491	4.3
93.07049	9.0
95.04996	1.3
95.08629	3.1
96.04550	1.1
96.08141	1.4
97.06546	2.9
98.06066	62.3
98.97722	0.6
98.98466	4.6
100.07658	1.6
102.05577	1.0
102.64661	0.7
104.07127	7.7
105.07049	2.8
107.04951	1.4
107.08601	3.1
108.04435	0.7
108.08119	1.8
108.08797	0.8
109.06503	1.0
109.10156	1.0
110.09756	0.9
112.07625	2.7
113.07150	2.9
117.03410	2.0
119.04981	1.3
119.08583	1.5
120.08120	1.3
121.06548	2.3
121.10142	9.6
124.07608	2.9
126.05532	13.7
127.03946	1.0
128.07106	1.1
128.10730	2.0
129.06691	2.4
129.10278	0.8
130.08643	0.9
131.07735	0.7
131.08557	4.1
132.10196	1.5
133.10155	1.2
136.07611	1.1
137.06015	2.1
138.09134	1.3
138.12816	1.4
139.11205	2.1
140.07077	1.4
141.10277	0.8
142.08627	3.7
143.11777	0.9
145.02856	6.6
147.11719	1.0
149.09619	16.5
151.03934	2.1
153.09219	0.8
154.08644	5.7
155.11729	0.8
158.08136	1.1
163.03934	1.5
163.07608	1.0
164.04268	1.6
166.12315	4.6
167.10686	2.1
173.12923	5.9
177.05475	12.1
179.07063	0.9
184.13342	7.9
193.12289	2.3
201.12344	9.0
202.14513	0.8
206.15440	4.8
210.14906	1.8
211.13333	3.3
212.16653	1.1
224.16492	8.9
228.15933	0.9
233.14952	2.6
234.14883	5.3
252.15964	30.2
260.16785	0.9
270.17026	3.4
278.17517	0.9
288.18073	100.0
289.18414	1.1
296.12817	2.0
296.18494	1.3
314.14337	3.6
314.19632	43.1
332.14520	1.3
332.20691	33.3
332.24698	1.6
333.14700	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.9
57.03447	7.4
57.07080	100.0
67.05506	29.8
69.07079	14.7
70.01829	7.0
70.06604	4.2
71.08636	72.0
75.04465	2.0
79.05485	1.8
80.28759	1.5
81.07062	33.5
83.08628	26.1
84.47681	1.6
85.10192	29.9
88.07627	5.4
90.67679	1.5
93.07039	1.9
95.08616	50.5
96.02459	1.6
96.08888	1.6
97.10184	14.6
98.21442	2.2
98.98475	69.7
99.11736	2.7
106.08658	2.3
109.10159	23.8
110.07347	1.6
111.11739	4.1
119.08600	1.7
123.11724	11.7
125.13303	1.9
127.03930	6.1
129.12384	1.4
132.40662	1.6
137.13286	4.6
151.14819	3.0
154.10278	1.6
161.67758	1.4
165.16463	1.8
174.99220	3.3
176.98930	8.3
208.45949	1.5
221.22552	2.4
239.23698	24.2
257.24783	7.1
301.03433	2.5
313.27368	71.5
313.32950	3.3
316.05713	2.8
331.08237	8.5
331.15277	1.7
331.18951	3.1
331.34015	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.6
57.03419	2.9
57.06802	2.1
57.07079	41.9
62.92210	1.0
64.07718	1.2
67.05508	12.2
69.07070	10.3
69.61488	5.7
70.06577	1.8
71.04991	1.0
71.08638	28.7
75.04472	1.5
79.05485	1.5
81.07059	16.2
83.08626	11.5
85.10184	17.1
88.07628	2.1
93.07031	2.2
95.08611	24.6
97.10170	7.8
98.98470	100.0
99.11777	1.6
100.98872	3.2
105.07057	1.8
106.08660	1.6
109.10157	12.5
111.11717	1.8
113.13339	1.2
116.99480	2.1
119.08573	1.3
123.11701	4.0
124.78649	1.1
125.13379	1.0
127.03935	9.2
137.13275	3.6
140.01086	2.0
151.14897	1.4
174.99193	5.3
176.98965	8.9
221.22542	1.8
239.23700	13.4
252.99829	1.9
257.24738	2.9
273.03848	2.3
301.03366	5.5
313.27380	34.5
316.05823	5.0
331.08170	14.4
331.34070	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	331.248
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.03934	1.9
55.01861	3.7
55.05513	11.5
57.03428	2.0
57.07073	2.6
59.04993	1.5
65.03944	1.2
67.05507	40.1
69.03421	2.0
69.07073	15.9
71.05000	13.0
71.31741	1.8
79.05495	22.3
81.03377	1.3
81.07060	37.6
83.04967	3.7
83.08626	5.2
85.06538	7.8
91.05479	13.6
93.07046	30.3
95.04953	2.8
95.08612	32.8
97.06535	10.9
97.10181	7.0
98.98471	100.0
99.08105	7.7
100.98884	2.9
105.07034	9.4
107.08599	20.6
109.06514	1.6
109.10152	14.1
111.08070	2.7
113.09615	2.2
114.37122	0.9
115.05463	1.4
116.04958	1.8
116.99486	1.9
117.07044	2.5
119.08599	9.0
121.06490	1.7
121.10143	30.3
123.08052	2.0
123.11672	3.5
125.09634	6.3
127.03909	5.8
128.04991	1.0
129.07025	2.9
131.08548	7.8
131.10722	1.5
133.10098	7.2
135.08084	1.5
135.11697	18.7
137.09651	2.1
139.07623	1.2
139.11182	6.0
143.08569	2.4
145.10146	6.1
147.11693	5.4
149.09619	2.3
149.13284	7.7
151.07582	1.9
151.11119	1.3
157.10107	1.3
157.12187	1.7
159.11761	5.6
161.09706	1.2
161.13310	2.4
163.11124	2.3
163.14915	1.2
167.10594	1.1
171.11649	3.1
173.11717	3.2
173.13239	3.4
174.99182	4.7
175.14774	1.0
176.98889	11.3
177.12773	1.4
181.06288	1.1
181.12216	1.4
185.11714	2.3
185.13177	1.5
187.13364	1.0
189.08997	1.8
190.05025	15.2
193.15959	1.1
195.13814	4.0
203.12744	4.0
203.91873	1.1
218.04543	1.7
221.15504	1.1
241.19568	3.4
245.04538	1.3
252.99673	2.1
254.99384	1.3
259.20575	10.3
269.12894	1.4
271.09531	1.1
273.03961	1.7
277.21637	35.2
285.12286	12.0
285.14966	1.7
295.22678	14.4
301.03339	2.9
312.88327	1.0
313.23630	2.7
315.04672	1.2
316.05637	3.5
316.09109	1.7
331.07971	9.2
331.12085	7.2
331.15738	2.1
331.19046	2.1
331.22693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05515	11.2
57.03443	7.9
57.07079	100.0
61.97594	0.8
67.05508	29.8
69.06728	1.4
69.07071	17.5
70.06584	4.0
71.06938	1.1
71.08635	73.2
73.44273	1.0
75.04471	4.0
79.05487	1.8
79.73914	1.1
80.27856	1.0
81.07059	39.6
83.05026	1.0
83.08623	25.2
85.06527	1.9
85.09667	2.0
85.10183	39.7
88.07645	7.0
89.06030	1.2
89.07946	1.4
91.05443	0.9
91.35567	1.0
93.07051	3.8
95.07980	1.7
95.08614	57.1
97.10169	14.5
98.98470	66.1
99.08063	1.2
99.11724	2.4
100.98879	2.0
102.09172	2.2
103.07597	1.6
106.08649	1.9
109.10159	28.8
111.11703	2.9
119.08630	1.1
121.10153	2.2
123.11715	12.4
125.13255	2.8
127.03906	5.2
131.08524	1.1
133.10054	1.1
137.13242	7.7
139.14803	1.4
141.74390	0.9
147.11639	1.0
151.14830	3.3
159.93990	1.0
165.16440	2.2
174.99236	3.6
176.98903	5.4
187.14809	1.5
221.22638	3.2
239.23698	29.3
252.99696	1.7
257.24704	6.8
259.20633	1.0
301.03323	1.1
313.27386	78.0
313.33063	3.2
316.05759	2.3
331.08008	3.8
331.34012	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
51.38523	0.3
53.03942	0.7
53.28651	0.3
55.01867	0.7
55.05496	0.8
56.03469	0.3
56.05021	0.4
57.03440	0.4
63.02378	0.4
65.03939	0.3
67.05491	0.8
68.02648	0.5
69.03416	1.0
69.07066	0.8
70.06601	1.5
71.04974	0.3
71.25350	0.7
72.08134	1.1
76.02224	0.4
79.05499	2.7
81.03410	0.8
81.07043	1.3
83.04989	2.1
84.04497	0.4
84.08136	1.5
85.02889	1.4
86.09706	2.0
87.04430	0.3
89.03921	10.6
91.05474	1.1
93.07043	1.6
95.04976	0.7
95.08593	0.8
97.02907	1.0
97.06509	0.7
98.03696	1.4
98.98472	36.4
99.04443	0.8
100.98885	0.8
102.30481	0.3
103.05472	0.5
105.04527	0.3
105.07018	0.9
107.04950	2.4
107.08605	1.2
109.02907	2.3
109.06503	0.5
109.10149	0.7
111.04452	0.4
113.06011	3.3
116.99532	0.4
117.03385	12.1
118.35231	0.3
119.08590	0.5
121.06531	0.7
121.19029	0.3
123.11729	0.4
125.09576	0.4
126.03137	1.2
127.03912	1.5
131.08586	0.4
133.02803	0.3
133.10121	0.9
135.04424	22.5
135.11678	0.3
137.02362	0.8
137.05908	0.7
139.03885	0.4
141.05472	11.9
145.02852	14.4
145.03845	0.5
149.06021	0.6
149.09560	0.3
150.06764	0.4
151.07512	0.4
151.11165	0.9
153.09210	0.4
154.02618	4.2
157.06540	0.4
161.09615	0.4
162.02170	0.3
162.05504	0.4
163.03909	100.0
164.04279	0.7
169.04971	13.2
169.12280	0.4
170.05688	0.6
174.99211	2.0
176.98985	3.6
177.05621	0.5
179.04819	0.6
183.04326	0.5
186.05486	0.4
209.04478	0.8
211.07431	0.4
227.07144	0.3
228.04121	0.4
239.03543	0.4
252.99806	0.5
256.03650	0.9
257.04382	0.5
260.19638	0.3
271.05994	1.4
271.09698	1.0
271.78430	0.3
273.04321	0.4
275.05707	0.5
299.05502	1.0
299.09143	0.6
301.03421	0.3
313.11868	0.8
316.05771	0.7
316.09119	0.4
331.08163	4.2
331.12006	2.0
331.16824	0.4
331.22797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05507	15.4
57.03439	7.8
57.07073	5.5
59.05004	3.1
60.00595	1.8
67.05510	49.4
69.07077	11.7
69.17198	8.0
69.17630	11.0
71.04996	3.5
71.08633	4.3
79.05499	17.1
81.03407	2.6
81.07061	35.6
83.04987	7.7
83.08600	11.2
85.06555	3.0
87.04493	4.0
91.05483	9.1
93.07059	18.3
95.04973	4.8
95.08615	14.5
97.06595	2.6
97.10122	2.8
98.98474	100.0
100.98883	2.4
101.06023	2.0
105.07027	7.8
107.08593	9.3
109.06565	3.3
109.10173	31.9
111.08100	3.9
116.99483	3.0
117.07007	2.7
119.08581	6.9
121.10164	7.0
123.08089	1.9
123.11736	3.9
125.09640	4.7
131.08556	5.1
133.10129	6.4
135.11711	3.6
137.09657	2.6
139.11185	7.3
141.12813	2.7
142.55862	1.9
145.10152	2.9
147.11700	3.7
149.13300	9.1
151.11215	2.9
155.10681	12.4
165.12724	3.3
173.11746	48.7
174.99245	5.0
175.99762	1.9
176.98999	5.6
177.12718	2.4
193.12303	5.2
195.13828	6.0
211.13329	4.6
252.54489	2.1
256.26382	5.0
259.20578	2.9
270.27975	3.5
277.21582	15.8
295.22736	8.9
330.30054	11.4
330.33691	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01879	8.2
55.05512	41.2
57.03427	15.8
57.07067	10.0
65.11745	3.2
67.05509	94.5
69.03441	4.9
69.07063	31.2
70.96889	7.9
71.04997	6.7
71.08617	7.6
79.05492	34.3
81.03417	11.5
81.07061	79.5
83.04980	24.4
83.08623	22.7
87.04466	8.9
88.07619	5.2
91.05476	24.9
93.07055	51.3
95.04981	12.3
95.08612	40.4
97.06528	9.0
97.10175	11.4
98.98469	100.0
99.08096	3.8
105.07058	16.4
105.59297	3.4
107.08610	28.5
109.06526	4.5
109.10159	47.3
111.08075	11.3
116.99469	3.0
117.07017	4.8
119.08563	18.7
121.10176	17.4
123.08088	5.8
123.11707	13.2
125.09631	11.3
129.06999	2.9
131.08598	7.8
133.10147	14.3
135.08051	4.8
135.11697	13.0
137.09615	11.2
139.11154	23.1
140.14345	4.8
147.11708	12.9
149.09752	2.9
149.13269	7.5
151.11211	4.0
153.09100	3.3
155.10660	23.6
157.10074	3.1
161.13254	12.8
163.11288	3.9
165.12737	4.5
171.10214	3.6
171.11728	3.1
173.11745	43.5
174.99222	5.7
175.14778	3.8
175.49570	3.7
176.98915	6.0
179.14291	3.0
189.11230	9.1
193.12285	7.4
211.13293	18.9
219.01770	3.6
219.61713	3.1
231.21196	3.3
241.19418	3.1
249.46758	3.8
259.20590	8.5
270.28046	3.9
277.21643	51.6
295.22687	30.3
330.30087	15.9
330.33649	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01870	2.4
55.05516	19.4
57.03439	0.7
57.07080	1.7
60.47379	0.7
67.05507	8.1
69.03429	2.7
69.07073	6.0
70.06609	0.8
70.44814	1.7
71.08640	6.4
79.05504	7.2
81.03420	0.9
81.07059	8.8
83.04991	1.9
83.08623	13.5
85.06539	1.5
85.83508	0.7
87.04469	2.3
91.05490	3.2
93.07056	4.4
95.08611	2.9
97.10177	30.0
98.98474	100.0
99.08089	6.6
99.15648	0.8
100.98856	1.0
101.06009	1.1
105.07059	2.9
107.08599	10.5
109.10160	2.7
111.08112	0.9
116.99519	1.0
117.07050	1.1
119.08607	2.1
121.10147	1.4
125.09637	27.1
126.12790	1.1
127.03905	1.2
133.10135	2.0
135.08035	3.4
135.11691	1.7
140.01135	0.9
143.10692	2.1
145.10112	1.2
147.11769	1.2
151.11162	4.8
153.09148	1.2
159.11740	0.8
161.13281	2.6
163.11156	2.0
171.10161	4.4
174.99237	7.5
175.14853	0.8
175.99638	1.9
176.98941	6.0
177.99307	0.8
179.14380	3.5
189.11227	50.1
209.93141	0.7
211.16856	1.5
218.21153	0.9
241.19489	1.1
252.99831	1.0
259.20621	2.0
277.21649	30.6
295.22687	7.7
316.05768	1.1
330.29987	2.8
330.33835	4.1
331.16055	0.9
333.34735	0.8
349.17001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
55.05514	7.4
56.05032	0.6
56.96576	0.6
57.05823	0.6
62.06092	2.3
66.96440	0.3
67.05509	1.2
69.03445	1.4
69.07069	10.2
70.02947	0.4
70.06596	3.2
71.05003	0.4
71.52005	0.5
72.08157	100.0
73.02924	1.0
73.06564	0.8
74.06097	0.4
79.05507	1.1
81.03427	0.8
81.07057	2.6
82.06607	0.4
83.08645	0.4
84.04525	1.6
84.08146	1.7
86.06071	11.6
86.09708	45.7
88.03970	0.5
91.05479	1.1
93.07040	1.5
95.04959	0.5
95.08611	1.2
96.08158	0.8
97.06534	1.4
98.06057	1.3
98.09702	1.4
98.97598	2.7
98.98472	14.8
99.04472	0.8
100.07612	0.7
101.02379	2.9
102.05546	0.5
105.07026	1.0
107.04994	0.4
107.08596	1.0
108.08115	0.7
109.02872	0.3
109.06532	3.7
110.06023	0.3
110.09704	0.4
111.08102	2.6
115.07572	1.0
116.07091	0.9
116.10732	6.0
116.98636	1.1
118.08646	0.8
119.08555	0.4
120.06601	0.6
120.08089	0.6
121.06496	1.1
121.10161	0.5
122.02706	0.6
124.07590	0.5
126.05508	0.8
129.07021	0.5
129.10255	0.5
131.08606	0.7
132.10207	1.5
134.09691	0.8
135.08104	0.5
136.07564	0.9
137.06035	2.4
138.05437	0.5
138.09129	0.5
141.09123	0.7
142.08681	0.8
143.15469	0.4
144.06490	0.6
145.02850	0.5
145.04892	0.4
147.04396	0.4
149.05986	0.6
152.10699	0.9
154.08673	0.5
155.07007	0.5
158.11737	0.7
158.99625	0.5
159.10162	0.8
163.03857	0.6
164.07118	0.6
168.06474	0.8
169.12233	0.4
170.11752	2.6
171.14931	25.3
172.15398	0.4
173.13280	0.5
174.99210	0.8
176.98877	0.4
177.05394	0.4
180.10153	1.2
182.08073	0.5
185.16498	24.9
191.14275	1.0
193.12263	0.4
197.12802	0.5
198.11261	27.9
199.14423	18.0
206.11763	0.5
207.58879	0.3
208.05276	0.4
209.11531	0.4
209.15346	0.9
211.13217	0.7
212.16461	0.7
213.15993	16.4
216.12321	37.6
217.15520	2.6
229.03848	0.4
231.17029	3.7
235.09038	1.6
238.11169	0.3
244.09549	0.8
247.04935	0.4
252.12283	0.5
253.09982	0.4
269.08020	0.6
299.13110	0.4
307.12555	0.4
312.18073	6.9
315.08405	1.4
330.10562	0.9
330.18994	2.8
330.23676	0.9
333.87323	0.3
334.05380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1914
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
53.03935	1.2
55.01876	3.5
55.05509	2.9
55.94794	0.9
56.05024	0.9
62.06099	6.8
64.28522	0.8
64.91415	0.8
67.05489	1.6
69.07074	35.5
69.29674	5.7
69.30087	1.2
70.02934	1.5
70.06585	4.9
72.08162	7.3
72.90149	0.7
73.02906	3.0
73.06551	3.0
79.05514	3.7
79.83354	0.7
81.07056	7.4
82.06596	0.8
83.04987	1.1
83.08621	0.8
84.04485	1.6
84.08142	1.5
85.06573	1.1
86.00645	3.0
86.06073	39.0
86.09710	6.5
88.03986	1.2
91.05487	2.2
93.07053	2.7
95.08601	2.2
96.08131	3.4
96.85532	0.7
97.06556	5.5
98.06049	1.7
98.09682	5.3
98.20706	1.5
98.98473	22.3
99.04450	3.1
100.07607	4.3
101.02393	11.5
105.06982	1.0
107.08607	1.1
108.08121	3.1
109.06538	13.3
109.10150	1.4
110.06053	0.8
110.09657	0.9
111.08092	7.3
114.09174	2.4
115.07549	1.1
116.10741	27.3
120.08086	0.8
121.06508	3.0
121.08840	0.8
122.09679	1.0
124.07609	1.0
124.11299	1.2
126.05505	3.1
128.07101	8.9
134.09651	3.2
135.10435	1.2
136.07613	1.0
137.05983	8.9
138.09154	1.9
140.10704	0.8
141.09138	3.8
142.08640	3.2
144.06580	1.4
145.04890	1.3
148.90115	0.8
152.10709	2.8
153.85077	0.8
155.07039	1.0
156.08432	1.2
158.11769	2.5
164.07060	0.9
169.12218	5.9
170.11739	8.3
170.15335	0.9
174.99257	1.4
180.10191	3.7
182.08104	1.5
189.12546	0.8
193.01335	1.3
198.11272	77.3
199.11473	1.0
208.05200	3.4
209.11719	1.1
212.16533	4.6
216.12323	100.0
230.17552	12.6
236.04639	1.3
254.05769	0.8
269.08075	2.5
312.18051	16.9
315.08636	6.3
330.10828	8.4
330.19226	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	330.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73290	1.0
55.48364	1.0
56.96573	2.7
57.07080	1.1
69.03452	1.4
69.07076	1.5
70.06596	14.5
71.51421	1.2
72.08155	4.1
73.02903	1.8
74.06058	1.9
81.07046	1.9
83.04987	1.2
84.04506	2.6
84.08144	2.6
85.02893	4.3
86.09707	13.7
91.05477	1.8
97.02880	1.7
97.06534	1.3
98.02398	1.2
98.98475	100.0
103.03947	1.7
109.06500	2.3
111.53928	1.1
116.07105	13.9
116.99491	1.6
121.06547	1.3
122.06043	2.7
127.04000	1.5
128.10774	2.1
129.10226	1.9
135.04428	3.6
139.03857	3.0
142.12253	1.3
143.04939	3.7
147.04376	3.5
149.05905	1.4
150.05499	3.2
161.05998	6.9
162.74393	1.2
163.03917	30.4
165.05469	1.3
165.81987	1.3
168.06577	4.3
168.10249	2.0
174.99234	5.5
175.00571	1.2
175.03923	3.3
175.11961	1.5
175.99619	1.7
176.98941	4.7
177.05475	3.5
187.04010	1.5
189.05461	7.9
191.03505	1.8
193.04977	14.5
200.30482	1.2
204.39023	1.1
205.04958	1.7
207.06683	1.6
213.05475	4.2
215.07083	1.3
215.13931	2.0
217.04982	3.7
217.11911	2.3
222.08450	1.0
226.56236	1.6
231.06549	2.6
235.06013	10.1
247.06326	1.5
252.99619	1.2
259.06021	3.8
277.07092	4.2
288.09836	1.3
295.08136	40.3
312.12177	2.0
330.12036	3.5
330.15445	4.7
330.21490	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	330.1337
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
53.03939	1.9
55.01874	4.5
55.05482	1.3
56.05033	4.7
57.03447	1.5
60.04515	1.7
65.03944	6.9
67.05511	2.1
68.05023	3.2
69.03441	1.6
69.07072	3.6
70.02959	1.2
70.06597	32.3
71.18177	2.5
72.08160	8.7
73.02942	1.5
74.06088	9.3
79.05490	12.0
79.41557	1.4
80.05029	4.7
82.06578	1.7
83.05021	1.4
84.04496	7.3
84.08148	10.2
85.02905	2.6
86.09716	22.8
89.03933	3.1
91.05481	9.8
92.24969	1.3
93.03406	7.2
94.04185	1.7
94.06566	9.3
95.04982	2.0
95.08576	1.6
96.04498	1.7
97.02911	2.9
98.06055	2.0
98.98472	88.1
100.98859	1.8
101.07146	6.2
103.05482	1.7
105.07026	2.9
106.04977	1.3
107.04964	10.4
108.04503	3.4
110.06068	1.9
111.04438	1.4
112.07593	1.4
112.08751	2.0
115.05468	4.0
116.07098	33.6
117.03374	11.8
117.07028	3.9
119.04939	1.9
121.02880	19.2
121.06490	2.4
122.03687	2.0
122.06030	26.6
123.06834	5.8
124.03984	1.6
124.07618	2.4
124.76583	1.1
126.09104	1.3
127.03969	1.7
129.10252	4.2
131.04930	5.2
132.08072	3.0
133.06496	1.8
134.03661	1.3
134.06010	1.8
135.04430	2.5
136.07613	1.9
137.05968	12.5
138.05498	2.5
142.12289	4.3
143.11798	2.6
145.02850	27.1
145.06497	5.4
146.03632	3.1
146.05975	1.5
147.04401	4.3
149.06006	4.6
150.05527	17.6
150.06737	3.3
151.03911	20.7
151.05177	2.2
151.06316	16.0
151.07498	2.6
152.07162	1.9
153.06963	1.4
155.08626	1.3
157.02823	2.3
159.04446	4.4
160.07582	3.6
161.06017	17.4
163.03918	2.8
163.07581	4.0
164.07106	2.1
165.07063	3.1
167.07111	2.9
167.08582	6.5
168.06613	2.7
169.06375	1.7
174.99249	6.3
175.07558	2.9
175.99568	2.8
176.98947	4.8
177.05489	36.3
179.07132	2.2
179.08580	7.5
181.06487	6.1
184.13255	1.7
187.14429	25.6
188.07103	7.0
189.05492	5.7
190.06262	2.5
190.07861	1.3
191.08624	1.7
192.06412	1.3
193.06357	1.4
195.08005	11.0
198.06850	1.9
203.07057	4.1
207.08064	10.5
209.06026	2.1
210.06737	3.4
211.07637	2.0
212.08195	2.6
213.09055	6.1
215.13870	8.3
221.06007	1.9
223.04251	4.2
223.07550	13.6
224.08337	3.8
225.09216	3.0
227.07120	2.6
227.10652	4.6
234.06926	1.8
235.07605	10.4
237.09007	2.5
238.06308	5.8
239.10703	7.6
240.07953	7.7
241.08652	8.5
251.07065	2.2
251.10905	2.0
252.07823	3.0
252.10268	2.9
253.08693	14.5
255.10207	40.9
256.13464	1.7
263.07330	1.8
265.08575	2.0
267.10141	19.3
268.09811	2.0
269.08044	3.4
270.11255	23.2
273.11340	6.1
277.08588	1.4
283.09692	7.2
284.12820	52.2
294.11252	4.0
295.09671	9.0
312.12317	100.0
315.08597	2.6
330.13571	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	330.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67044	0.4
52.49079	0.5
53.03950	0.6
55.01871	2.3
55.05513	7.2
56.05030	1.6
57.05826	0.6
60.04509	0.7
60.80471	0.5
62.06083	2.6
69.03436	0.7
69.07072	17.2
70.02978	0.6
70.06593	5.0
70.96899	1.3
72.08159	100.0
73.02928	1.5
73.06560	1.4
74.06087	0.7
79.05508	1.3
81.03407	0.5
81.07056	3.2
83.08631	0.5
84.04509	1.5
84.08150	1.7
86.06074	18.5
86.09710	20.6
88.03989	1.2
91.05491	1.8
93.07058	1.1
95.04996	0.9
95.08578	0.6
96.08139	1.2
97.06551	1.6
98.06038	1.0
98.09717	1.9
98.98472	13.7
99.04456	1.6
100.07630	0.8
101.02389	4.7
102.05559	0.7
105.07068	0.6
107.04963	0.6
107.08588	0.7
108.08155	1.6
109.06519	6.9
111.08076	4.0
115.07571	1.1
116.07148	0.7
116.10739	10.5
117.03356	0.4
120.06618	1.3
120.08127	0.9
121.06519	1.8
121.08911	0.5
124.07603	0.5
124.11248	0.5
126.05551	1.3
127.03934	0.6
129.10202	0.6
129.86049	0.5
132.10216	2.2
134.09691	1.6
135.04538	0.6
136.07620	1.3
137.05988	4.3
138.05522	0.5
138.09163	0.8
141.09131	1.0
142.08670	1.5
144.06566	0.7
145.02895	0.7
149.06010	1.0
152.10753	1.9
155.07008	0.5
158.11833	1.2
163.03908	1.0
164.07098	1.0
168.06583	0.5
168.10284	0.6
169.12312	0.9
170.11780	4.8
171.14937	33.3
174.99266	1.0
176.98959	0.6
177.05574	1.2
180.10260	1.7
182.08247	0.6
185.16501	11.3
193.12212	0.5
198.11266	43.4
199.14430	23.6
208.05186	2.3
211.13390	1.3
212.16518	1.9
213.15991	5.9
216.12329	59.0
217.15582	1.1
231.17030	3.4
240.15962	0.6
252.12393	1.0
269.08084	1.1
294.17200	0.6
312.18066	9.9
315.08652	2.5
330.10883	3.1
330.19284	3.9
330.22821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02066	0.9
55.05503	2.8
59.05003	14.2
60.04525	1.1
61.02920	1.3
68.32250	0.9
69.03434	1.5
69.07074	2.4
70.02947	3.5
70.06258	1.2
70.06599	15.3
70.35008	2.8
72.08161	20.1
73.06559	100.0
79.05506	0.9
81.03416	1.4
83.04995	2.3
84.08150	4.9
85.02913	7.2
86.09711	33.0
88.03477	1.3
88.03993	12.3
91.05476	2.6
93.07056	4.6
93.13851	1.0
97.02908	1.7
98.21430	1.0
98.98476	35.4
99.08037	0.9
103.05450	1.0
105.07017	1.6
106.05020	1.7
109.06557	0.9
110.07156	0.9
116.03437	2.3
116.07096	33.9
117.07001	1.5
117.09122	2.3
119.08583	1.6
120.08106	7.7
121.06509	9.6
121.10125	1.0
127.03923	1.0
129.10248	1.5
131.08591	1.2
131.10681	10.3
133.10161	0.9
135.08049	1.5
136.07597	2.4
145.04951	1.3
145.10097	1.9
147.08017	1.5
149.06107	2.0
149.11737	41.1
159.11694	5.7
163.11174	3.9
174.99258	2.6
176.98853	1.0
177.12799	1.0
184.31625	0.9
185.16530	13.4
187.11176	9.1
205.12254	6.6
213.15990	8.8
229.12312	1.9
246.14952	2.3
282.09769	1.0
292.15359	3.4
305.19333	1.4
310.16452	5.5
311.17346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.6
56.05026	1.4
70.06597	37.0
70.83914	1.1
70.84241	1.0
72.08159	56.2
73.06551	2.2
74.06069	1.9
84.04500	2.5
84.08141	5.1
86.09710	76.5
87.10047	0.9
98.98473	31.6
101.10009	0.6
102.05546	0.8
104.68679	0.7
110.90411	0.6
116.07098	100.0
116.99593	0.8
120.06575	1.7
120.08083	1.6
127.03277	0.9
129.10255	4.0
136.07576	1.2
137.66827	0.6
149.11703	0.7
166.08586	0.6
174.99223	3.3
176.98979	1.0
177.05595	0.6
181.69380	0.7
182.61134	0.6
185.16501	37.0
201.12375	2.6
210.22813	0.7
213.15991	22.1
214.05272	0.6
229.11821	0.8
229.15488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01860	5.5
55.05515	54.7
55.91082	1.3
59.04996	1.5
67.05502	15.8
69.03417	6.5
69.07069	23.2
70.02025	5.9
79.05067	2.4
79.05498	27.0
81.07055	14.8
83.04965	4.3
83.08162	2.6
83.08624	38.8
86.10190	1.2
91.05461	12.4
93.07047	11.6
95.08631	8.3
95.09127	1.4
97.06522	3.5
97.10172	75.8
98.98473	30.3
105.07045	12.9
107.08600	86.5
109.06499	3.4
109.10123	3.6
111.08056	2.5
117.07014	4.1
119.06088	1.5
119.08563	6.9
121.10152	2.3
125.09638	67.6
131.08516	2.8
133.10144	7.4
135.08052	6.9
135.11697	2.5
143.10637	3.3
145.10155	9.6
147.11685	4.6
149.09579	6.8
153.09113	5.9
157.09979	2.0
159.11691	2.7
161.13266	2.8
163.11182	2.2
170.11739	1.9
171.10175	22.2
174.99269	2.7
175.99483	1.7
179.14403	2.6
181.12230	4.1
189.11235	100.0
239.18013	2.5
257.18909	10.2
275.20074	92.5
293.21140	9.9
343.18253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05514	11.2
57.03429	2.1
59.49908	1.1
67.05510	27.4
69.03421	2.2
69.07078	7.7
70.13052	4.4
71.04985	2.9
75.87012	0.8
79.05077	1.6
79.05498	21.0
81.03416	3.7
81.07063	18.9
83.04973	3.3
83.08622	7.6
85.06541	1.6
89.19737	1.0
91.04977	1.5
91.05491	16.2
93.07050	21.1
95.04991	5.5
95.08617	12.4
97.06566	2.4
97.10191	6.0
97.10726	1.0
98.98473	100.0
103.05479	1.0
105.07036	11.4
107.08607	14.9
109.06496	1.1
109.10170	15.9
111.08100	2.0
111.11776	1.1
117.06990	2.9
119.08591	13.7
121.10155	11.7
123.08076	1.9
123.11727	1.9
125.09607	6.2
129.06972	2.3
131.08612	5.3
133.10159	9.3
135.08067	2.1
135.11694	3.0
137.09648	6.6
138.12746	0.9
139.11208	1.2
145.10100	4.3
147.11708	3.8
149.09575	1.7
149.13220	1.1
151.11153	1.5
155.10661	3.3
157.10184	1.3
159.11646	3.3
161.13298	1.3
163.11188	1.8
172.13420	1.2
173.11734	9.5
173.13187	2.2
174.99249	10.2
176.98936	2.1
181.12181	1.5
189.11250	4.7
193.12267	2.4
195.11197	1.0
195.13985	1.3
211.13307	1.6
235.16911	1.4
247.05626	1.0
257.18985	1.1
275.20068	10.7
293.21048	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	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01870	1.9
55.05275	1.2
55.05518	18.1
57.03425	2.7
59.04992	0.9
65.03933	1.0
67.05511	26.9
69.03426	2.8
69.06791	0.9
69.07079	9.8
69.74079	5.7
71.04983	4.1
72.32185	0.9
79.05500	28.5
81.03414	2.3
81.07063	18.4
83.04967	3.1
83.08628	12.0
85.06544	1.4
91.05492	16.7
93.07056	24.9
95.04973	6.0
95.08058	1.5
95.08617	15.7
97.06535	2.2
97.09635	1.5
97.10180	15.5
98.98476	100.0
105.06509	1.0
105.07051	10.8
107.00291	1.0
107.08609	21.1
109.06512	1.5
109.10163	12.6
111.08060	1.9
116.99545	1.2
117.07011	2.9
119.08586	11.4
121.10151	14.8
123.11718	1.6
125.09650	12.9
129.07007	1.5
131.08551	4.2
133.10161	7.5
135.08058	2.1
135.11674	2.7
137.05965	1.3
137.09657	4.9
139.11159	1.1
140.59871	0.8
143.08626	0.9
145.10106	4.9
147.11691	5.1
149.09618	3.6
149.13266	1.1
153.09222	1.3
155.10680	4.2
159.11696	3.1
161.13277	3.1
171.10153	2.4
171.11583	1.1
173.11800	8.2
173.13228	1.7
174.99220	9.1
176.98938	2.5
177.12820	1.1
179.14551	0.9
181.12314	1.2
183.11757	1.3
186.56468	0.9
189.11217	13.4
193.12169	1.1
211.13365	1.0
245.61601	1.0
257.19073	2.4
275.17303	1.9
275.20093	20.1
292.22711	1.5
293.21112	3.4
317.73727	1.3
349.86661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84149	1.1
55.01873	7.5
55.05510	2.5
58.99571	1.9
61.01159	1.2
65.03943	1.4
67.05486	2.9
69.03406	1.2
69.07064	3.3
70.02950	4.3
70.69138	1.9
71.04980	1.6
72.08163	1.7
76.02219	2.1
77.10583	0.9
79.05495	3.4
81.07066	5.7
83.04971	2.5
85.01118	2.9
86.09721	3.2
86.99035	2.2
87.02687	1.8
88.02221	10.6
88.03996	50.6
90.96498	0.9
91.05471	9.2
92.97825	1.0
93.03419	3.6
93.07037	10.6
95.04988	1.5
95.08601	2.2
97.06530	1.8
98.98473	25.5
100.05829	0.9
102.03778	2.2
104.90248	1.1
105.00087	2.0
105.07034	14.2
107.04931	2.5
107.08585	6.1
109.06528	2.9
109.10155	1.6
112.71653	1.0
117.07011	2.5
119.04950	28.7
119.08587	69.6
121.06503	2.1
121.10135	11.8
122.02750	9.1
123.08022	1.5
127.07497	1.2
129.06992	1.3
130.07755	1.4
131.01613	2.5
131.08553	2.0
133.02893	1.9
133.06506	7.2
133.10141	15.1
134.02757	1.7
135.08049	2.8
135.11723	1.5
136.07568	3.5
136.97984	1.0
137.05885	1.3
137.09628	4.2
138.09961	1.1
143.08580	2.7
145.10132	18.4
145.11279	1.3
147.04424	1.1
147.08035	5.5
147.11678	13.5
148.04266	4.0
148.08823	7.4
149.04236	4.0
149.09644	2.7
150.12857	1.2
150.29738	1.1
151.02124	3.6
156.09344	2.3
159.11757	2.2
161.09697	1.5
161.13274	3.0
163.11188	100.0
167.05280	15.1
169.75095	1.1
171.11690	7.1
174.10446	2.5
174.99202	2.8
175.99690	1.0
176.98930	1.0
177.12770	12.0
187.10828	1.6
189.12753	55.0
190.13190	1.2
207.13780	2.3
208.09790	1.3
218.08510	1.1
221.09958	3.4
223.11525	41.2
239.11031	16.5
255.09229	1.3
264.14020	1.3
310.14700	80.2
328.15701	11.5
328.19510	2.3
328.28259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75005	0.6
55.01863	0.9
55.05516	6.7
57.03419	0.9
57.07081	5.3
59.04988	0.8
60.46402	0.6
64.78131	0.7
65.03937	0.8
67.05508	10.8
69.03419	1.2
69.07073	22.3
70.06590	0.6
71.04990	2.3
71.08628	2.2
72.69042	0.7
79.05498	5.3
81.03409	1.2
81.07063	47.2
83.05017	0.8
83.08628	10.8
85.06557	6.8
85.10173	0.8
91.05484	4.3
93.07049	13.6
95.04968	1.8
95.08613	29.6
97.02894	0.7
97.06551	3.3
97.10180	3.6
98.21526	1.4
98.98473	100.0
99.08092	3.4
100.11231	1.6
105.07047	6.3
107.08594	13.4
109.02895	1.0
109.06533	1.6
109.10165	15.2
111.08092	9.6
111.11717	4.7
116.99543	1.1
119.08579	4.3
121.10147	9.1
123.08067	1.0
123.11724	12.9
125.13293	0.9
129.07030	0.7
133.06483	0.7
133.10136	1.8
135.11705	7.5
136.07597	0.7
137.05998	3.8
137.09633	1.1
137.13252	9.3
139.11197	1.2
144.26025	0.6
147.11705	4.0
149.13272	6.1
151.07622	1.5
151.11211	0.7
151.14822	1.3
153.12770	4.2
155.14299	3.4
161.13255	1.7
163.14821	3.2
165.12749	4.4
167.14307	1.0
171.08192	0.7
171.13837	0.9
174.99239	14.0
175.00708	1.1
175.14944	0.8
177.05423	1.1
177.16454	2.6
179.17975	0.6
181.15794	0.8
182.15350	0.8
182.89299	0.7
183.13875	1.4
191.17996	1.3
201.14902	1.0
203.18083	0.8
205.19502	0.8
210.14833	0.8
217.19594	0.8
228.95035	0.8
236.28104	0.7
250.99902	3.5
261.25739	0.8
273.25851	2.2
279.26895	1.8
291.19678	0.8
291.26910	4.5
295.09802	0.9
309.27982	2.7
327.12469	0.8
327.28406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01869	2.5
55.05511	11.9
57.03430	1.2
57.07078	6.4
59.04992	1.6
59.90998	0.5
63.35489	0.5
67.05508	15.1
68.45129	0.6
69.03430	1.4
69.07073	27.5
71.04983	3.3
71.08657	3.0
71.78986	0.5
73.06564	0.8
77.01626	0.6
79.05499	11.8
81.03411	1.1
81.07059	67.3
82.07389	0.6
83.04971	2.2
83.08622	10.8
85.06551	6.8
85.10172	1.3
91.05477	4.5
93.07047	17.4
95.04984	2.1
95.08611	49.7
97.02900	1.4
97.06535	5.8
97.10175	4.9
98.20757	1.5
98.98470	100.0
99.08096	5.3
105.07027	7.3
107.08599	20.0
109.06544	2.3
109.10159	25.0
111.04480	0.7
111.08084	9.2
111.11732	5.0
113.09657	1.1
114.10163	0.7
116.99506	1.6
119.08595	6.0
121.06492	0.9
121.10152	9.9
123.08083	1.6
123.11713	16.9
123.12598	1.0
125.05996	1.2
125.09632	8.2
125.13288	1.0
131.08545	1.4
133.10147	2.4
135.11696	9.0
137.05954	3.5
137.09637	1.2
137.13249	10.1
139.11205	1.2
140.01125	0.7
141.09117	1.2
145.10081	1.3
147.11694	6.4
149.13260	9.2
151.07555	0.9
151.11237	1.2
151.14816	3.4
153.12733	4.3
155.14386	2.8
159.10211	0.9
159.11615	0.6
161.09602	0.7
161.13298	2.4
163.11166	0.8
163.14827	5.3
163.57924	0.5
165.12793	3.5
165.16466	0.6
167.14349	1.1
169.12222	0.9
171.13844	0.7
174.99242	15.2
175.11287	0.6
175.14771	0.8
177.16382	3.3
179.17926	0.7
181.15974	0.9
183.13779	1.4
189.16396	0.8
191.17957	2.0
201.14948	0.7
203.18016	0.9
205.19554	0.7
211.13277	3.8
217.19530	2.2
227.17935	0.9
228.99527	0.6
235.20602	0.8
237.02802	0.6
238.63821	0.6
247.24181	0.6
250.99953	3.2
261.25732	1.4
263.20087	3.0
273.25751	1.7
279.26825	0.9
281.21210	1.7
282.32932	0.6
291.19592	2.3
291.26788	7.1
309.20651	1.3
309.27924	3.8
313.45084	0.7
327.12280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01870	1.2
55.05524	8.0
57.03442	1.7
57.07080	3.7
59.05001	1.2
65.03939	2.0
67.05512	21.5
68.99381	1.1
69.03439	1.2
69.07076	8.2
69.41859	5.4
69.42281	2.7
77.03954	1.1
79.05496	13.7
81.03423	3.5
81.07064	18.6
81.39293	1.2
83.08626	3.1
83.88422	1.3
85.06548	2.7
91.05490	20.4
93.07052	47.2
95.04980	38.7
95.08611	34.8
97.06541	13.0
97.10179	1.5
98.21540	2.0
98.98477	100.0
103.05466	1.4
105.07040	34.5
107.08605	23.4
109.06529	6.4
109.10164	14.3
115.05408	2.5
117.07027	10.2
119.06175	1.2
119.08593	40.6
121.06512	8.1
121.10166	17.1
123.08095	8.3
123.11731	5.8
128.06232	2.8
129.06999	4.6
130.07785	3.8
131.08560	14.5
133.06577	1.2
133.10146	28.7
135.08026	6.4
135.11693	7.1
137.05994	3.3
137.09599	3.8
141.07022	2.3
142.07816	7.5
142.08766	1.2
143.08604	11.7
144.09360	3.2
145.10129	24.6
147.08086	3.3
147.11673	8.0
149.09624	3.4
149.13326	1.8
151.07555	2.4
153.07034	1.5
155.08582	5.3
156.09404	4.1
157.10138	19.2
158.10901	3.4
159.08078	2.7
159.11708	24.6
161.09659	8.9
161.13312	5.0
167.08539	1.8
168.09489	1.3
169.10112	7.6
170.10791	1.8
171.11710	8.2
172.12518	1.9
173.09648	2.6
173.13306	9.4
174.99236	15.1
175.11240	1.2
175.14848	13.2
179.08601	1.6
181.10150	2.7
183.11685	8.6
184.12477	1.5
185.09656	1.6
185.13254	5.6
187.11232	3.9
187.14859	10.3
189.16389	2.7
193.10123	2.7
194.10966	1.3
195.11736	3.6
197.13303	5.1
199.14824	8.6
201.16475	3.1
203.14384	1.3
205.15906	1.7
206.11047	1.1
207.11710	2.1
209.13269	3.8
211.14857	4.9
213.16359	2.7
215.14398	3.1
217.15919	3.8
221.13365	1.3
223.14789	3.1
225.16367	2.3
227.14395	2.6
229.15877	2.7
231.17442	1.4
235.14955	2.6
235.17082	1.2
237.16289	1.4
251.00050	2.9
253.15887	1.4
253.19551	1.7
271.20529	2.0
291.21161	2.7
309.22180	5.1
327.07834	2.0
327.23236	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	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01870	1.6
55.05513	4.5
57.03436	1.0
57.07066	2.3
60.70664	0.4
65.03963	0.5
67.05507	6.9
69.03433	0.7
69.07070	11.0
69.77989	1.9
70.06600	0.5
71.04982	1.9
71.08624	1.8
79.05494	4.8
81.03423	0.9
81.07056	24.5
83.04977	1.0
83.08620	4.5
85.02876	0.5
85.06538	3.8
91.05470	2.6
93.07045	8.1
95.04979	1.3
95.08609	16.2
97.02876	0.9
97.06549	3.1
97.10173	1.7
98.98467	100.0
99.08096	3.1
105.07043	3.7
107.08596	7.9
109.06501	0.7
109.10155	8.6
111.08084	6.4
111.11755	2.1
113.09623	0.7
116.99496	1.5
117.07032	1.0
119.08586	2.4
121.10139	4.1
123.08070	5.5
123.11705	6.5
125.09637	1.6
125.13299	0.6
126.38805	0.5
131.08594	0.6
133.10109	1.8
135.11694	3.9
136.07597	0.7
137.05980	2.1
137.09587	0.8
137.13255	4.6
139.11099	0.6
140.01105	0.6
145.10106	0.6
147.07893	0.5
147.11679	2.9
149.13260	4.4
151.07472	0.7
151.14909	0.5
153.12729	2.0
155.14342	0.6
161.13298	0.7
163.14850	1.2
165.12804	1.6
174.99232	14.7
175.14896	0.5
177.16426	1.0
189.11264	0.6
191.18076	0.7
210.00613	0.4
217.19566	0.5
250.99998	3.2
273.18698	0.7
273.25803	0.8
279.26999	0.5
291.19565	1.6
291.26831	3.0
309.20819	0.6
309.27963	1.4
327.12451	1.3
327.15994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	1.3
55.05509	5.2
57.03419	1.1
57.07070	1.7
67.05508	10.5
69.07066	4.3
69.23683	0.8
71.04993	0.8
77.03925	1.2
79.05493	8.5
81.03404	1.7
81.07055	12.6
83.04993	1.1
83.08620	3.2
85.06564	1.5
91.05480	15.5
91.47856	0.8
93.07045	29.8
93.07635	1.5
95.04372	1.5
95.04973	23.8
95.08613	21.2
97.06539	7.1
98.98470	100.0
103.05444	1.3
105.04523	1.5
105.07037	24.4
107.08591	13.4
109.06519	4.5
109.10150	8.1
111.08098	0.9
112.10061	0.8
115.05492	1.6
115.96812	0.8
116.99509	1.0
117.07034	6.6
118.96017	0.7
119.08583	22.9
121.06503	7.6
121.10148	13.5
123.08046	3.9
123.11733	2.3
128.06244	2.7
129.07016	3.3
130.07764	1.9
131.08565	9.0
133.06523	1.4
133.10136	18.0
135.08055	3.9
135.11674	4.7
137.05989	3.7
137.09645	2.1
140.01027	0.8
141.07007	1.5
142.07788	4.8
143.08559	5.9
144.09361	3.4
145.10130	17.2
147.08086	1.6
147.11630	5.2
149.09666	2.1
151.07582	2.1
153.07028	1.1
155.08617	2.8
156.09392	2.8
157.10144	12.5
158.10953	1.3
159.08084	1.8
159.11693	17.7
161.09601	5.3
161.13289	1.0
163.11150	0.9
168.09412	1.0
169.10178	4.9
170.10966	0.9
171.11707	6.0
173.09653	2.6
173.13277	6.4
174.99237	18.4
175.11209	1.1
175.14841	6.5
177.12877	0.9
179.08554	1.2
181.10155	2.1
182.11066	0.8
183.11694	4.7
185.09572	1.1
185.13300	3.1
187.11224	3.2
187.14845	7.3
189.12724	0.9
195.11711	1.8
196.12524	1.5
197.13313	3.3
199.14845	3.8
201.16437	1.2
206.06108	0.9
209.13316	3.4
211.14845	3.7
213.16428	1.6
215.14383	1.3
217.16051	1.4
221.13252	1.1
223.14951	0.8
225.16457	1.2
227.14238	1.1
229.10489	0.9
233.03856	0.8
235.14786	2.1
239.17995	1.2
241.19609	0.8
251.00037	4.2
253.15855	1.4
259.20853	0.9
265.19589	1.5
309.21997	3.7
327.07932	2.2
327.23117	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	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	4.1
55.05269	1.4
55.05512	19.2
57.03431	1.5
57.21854	0.9
60.12205	0.9
63.29277	0.9
67.05503	11.5
69.03435	1.8
69.07068	8.0
69.59626	5.4
71.04973	1.1
79.05492	10.8
81.03429	5.0
81.06589	1.8
81.07054	25.5
83.04977	4.6
83.08612	12.8
85.02917	1.3
85.06525	1.4
91.05470	4.0
93.07044	6.7
95.04958	3.6
95.08605	7.0
97.06530	4.2
97.10171	21.1
98.98468	100.0
99.08096	3.5
105.07022	3.1
107.04955	2.1
107.08602	8.3
109.06533	2.4
109.10137	3.4
109.10861	0.9
111.04440	3.7
111.08096	2.7
116.99504	1.2
117.07015	2.0
119.08575	5.9
121.06516	1.8
121.10120	2.4
123.08057	12.7
123.22482	0.9
125.08758	1.9
125.09626	19.8
129.07016	1.2
131.08569	2.3
133.10130	1.7
135.08075	2.2
135.11690	2.9
137.05945	1.4
137.09596	3.2
139.11159	2.0
145.10143	2.9
147.08041	2.1
147.11691	1.1
149.09618	1.8
149.13245	1.3
150.58972	0.9
153.09122	2.4
153.12787	1.9
157.10150	1.5
159.11740	1.1
161.09616	1.1
163.11169	5.9
165.09123	3.6
171.10164	2.4
171.11639	1.6
174.99231	16.5
175.11293	1.3
181.12314	2.4
189.11223	19.1
191.10619	3.4
193.12218	3.7
211.13272	1.7
223.13173	2.3
227.12750	1.9
251.00072	3.5
273.18497	7.8
291.19547	36.3
309.20590	17.0
327.15921	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	327.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08618	0.5
53.03951	1.2
53.95349	0.5
55.01866	3.1
55.05514	13.7
57.03424	2.1
57.07065	0.5
67.05507	10.0
69.03427	1.8
69.07068	5.2
69.36250	4.5
71.04998	0.7
77.01614	0.6
79.05496	8.0
81.03427	4.6
81.07059	17.8
83.04982	3.3
83.08621	8.8
83.48293	0.6
85.02911	1.3
85.06553	0.9
91.05482	4.5
93.07046	6.2
95.04980	4.8
95.08620	5.4
97.06526	4.8
97.10169	17.3
98.98469	100.0
99.08095	2.5
105.07019	5.0
107.04958	1.5
107.08599	7.5
109.06551	1.6
109.10171	3.3
111.04449	2.7
111.08080	2.3
116.99480	1.5
117.07042	1.9
119.08588	3.7
121.06500	1.2
121.10152	2.6
123.08070	8.9
123.11649	0.8
125.06017	0.6
125.09638	12.6
129.06976	1.1
130.63409	0.6
130.99776	0.5
131.08569	2.1
133.06442	0.9
133.10138	2.3
135.08052	2.3
135.11678	1.4
137.05969	2.1
137.09601	3.1
139.11160	1.4
140.01118	0.7
143.08594	0.9
143.10715	0.8
145.10127	3.4
147.08031	1.2
147.11699	1.9
149.09657	1.4
149.13170	0.9
151.07559	1.4
153.09135	1.6
153.12779	1.0
157.10144	1.5
159.11685	1.6
161.09563	1.1
163.11162	4.1
165.09085	3.1
171.10187	2.6
171.11629	0.8
174.99231	15.2
175.11258	1.1
181.12273	1.7
185.13239	0.8
189.11223	16.4
189.12939	0.8
191.10698	1.7
193.12279	2.3
211.13353	2.0
223.13356	1.4
227.12869	1.3
251.00117	2.8
263.20169	0.9
273.18466	6.1
291.19556	26.5
302.23636	0.6
309.20642	14.5
327.15842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.01873	2.3
55.05527	10.8
57.03418	3.1
57.07072	4.8
57.66765	2.1
65.03941	3.6
67.05510	25.9
69.03407	2.5
69.07072	12.9
69.81631	5.6
69.82045	5.4
77.03922	3.5
79.05129	2.0
79.05501	19.6
81.03420	4.8
81.07057	29.6
83.04964	3.7
83.08600	4.8
85.06574	3.4
91.05495	32.7
93.07048	67.2
95.04974	61.6
95.08611	45.8
97.06531	15.4
98.98472	100.0
105.04506	2.7
105.07033	56.9
107.08605	33.0
109.06504	9.6
109.10156	24.2
111.08057	2.2
115.05433	3.4
117.07027	19.9
119.08594	54.9
121.06520	14.5
121.10146	31.9
123.08078	12.9
123.11684	8.9
128.06200	7.0
129.07045	9.5
130.07779	4.7
131.08591	23.3
133.10136	44.1
135.08084	11.2
135.11685	10.4
137.06001	4.1
137.09578	4.1
141.07007	3.8
142.07751	8.7
143.08595	18.3
144.09320	6.5
145.10130	39.1
147.08121	2.6
147.11696	14.3
149.09648	3.4
149.13272	4.9
152.06248	4.9
153.06999	4.2
154.07838	2.4
155.08504	4.6
156.09366	6.2
157.10156	31.0
158.10902	3.9
159.07993	2.8
159.11696	33.9
161.09630	12.9
161.13278	5.4
167.08540	4.1
169.10129	16.2
170.10884	2.8
171.11697	15.9
172.12515	2.3
173.13260	13.5
174.99268	13.6
175.14844	17.0
177.12788	2.3
181.10150	4.4
182.10909	2.8
183.11674	10.1
184.12505	2.6
185.13240	8.7
187.11188	8.7
187.14819	13.1
189.12695	3.3
189.16403	2.7
193.10165	3.6
194.10773	2.4
195.11655	2.7
195.43439	2.3
197.13301	10.4
199.14856	9.3
201.16434	2.7
208.12329	2.2
209.13252	8.5
211.14815	6.6
213.16345	3.7
215.14275	3.6
217.15855	4.2
221.13257	4.8
223.14867	3.9
225.16399	4.3
227.14291	2.5
229.15938	3.4
233.03687	6.0
235.14830	4.7
239.17795	2.7
251.00041	4.1
251.04749	2.4
253.15836	3.0
281.22589	2.9
290.95767	2.5
291.21008	2.9
309.22238	4.3
327.07809	17.5
327.23230	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
57.03429	0.8
57.03767	0.4
57.69151	0.4
60.06235	0.4
64.28577	0.4
67.05486	1.9
68.05026	0.7
69.03415	0.5
69.07051	1.2
69.07433	0.4
70.06576	1.8
71.05013	0.5
71.51818	0.6
72.08146	0.9
78.95255	0.5
79.05493	2.8
80.04999	1.0
81.03431	1.0
81.07081	3.0
81.47565	0.5
82.06582	0.5
83.04975	0.5
83.08608	0.8
84.04507	6.2
84.08114	1.5
85.02450	0.6
85.02908	8.8
86.09681	2.0
86.56357	0.4
88.03982	1.1
91.05477	2.5
92.32854	0.4
93.07043	6.3
94.06536	1.5
95.04951	0.7
95.08598	2.1
96.04491	0.7
96.08147	0.7
97.06496	0.6
98.02420	1.0
98.06077	0.5
98.98469	21.4
100.11272	0.6
102.05533	1.7
102.38451	0.5
103.05441	0.7
105.07008	1.9
106.06549	0.5
107.08616	3.3
108.08121	20.5
109.06532	0.5
109.08902	1.0
109.10143	0.6
110.09674	2.1
111.90199	0.4
114.05537	2.1
116.07115	0.5
117.07038	0.9
119.08623	2.3
119.09344	0.5
120.08074	1.1
121.06523	0.9
121.10124	1.1
122.02712	1.2
122.06052	0.5
122.09680	11.1
123.10435	1.6
123.11700	0.5
123.98692	0.5
130.04980	0.6
131.08517	0.8
133.06496	0.9
133.10101	1.4
134.09633	0.7
135.08061	1.3
135.11708	5.0
136.11244	3.1
137.05998	4.3
142.04987	0.4
142.12256	0.6
147.11676	0.6
148.02905	0.4
148.07512	0.5
148.11121	0.8
150.12787	23.4
151.13576	8.8
152.14339	8.0
153.05370	0.8
153.12799	0.5
161.09666	0.6
163.07565	1.5
164.14381	0.7
165.12766	0.6
166.12216	0.7
174.99272	2.5
175.11179	0.6
177.12744	0.7
178.15945	0.8
179.14320	0.4
180.06587	0.6
190.16006	0.6
197.19861	0.4
205.12239	1.1
208.13306	1.6
210.07637	1.4
219.01770	0.7
222.14767	0.5
228.12373	1.1
236.16510	2.0
237.02696	0.8
238.10782	0.8
251.00206	0.6
252.12227	1.5
264.15945	1.0
280.12143	0.5
282.17010	100.0
283.17242	1.4
284.18546	3.7
287.05490	1.9
288.05850	1.8
295.13043	0.6
302.36597	0.6
308.25900	0.9
325.55927	0.6
326.11438	1.4
326.19629	71.4
327.20126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1077
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
53.03952	1.0
55.01877	1.4
55.05511	0.9
57.03452	2.4
61.02933	3.0
65.03958	1.8
67.05507	1.6
69.03435	5.5
69.07054	0.6
69.57915	0.5
69.94469	1.0
69.94867	1.1
70.06593	1.4
71.01362	0.6
71.05025	0.5
72.08173	0.7
73.02924	1.0
79.05500	1.5
81.03407	3.8
81.07072	1.4
83.04984	0.5
84.08156	1.1
85.02914	29.9
86.09721	1.3
87.04476	0.6
88.04002	1.4
91.03972	1.6
91.05488	44.2
93.07041	1.1
95.04979	2.0
95.08611	1.5
97.02898	6.2
98.98475	94.6
99.04469	1.1
99.70525	0.5
105.07044	1.3
107.04955	0.7
107.08620	1.4
109.02878	3.0
111.08036	0.5
114.70773	0.6
115.03962	0.8
116.99465	1.5
117.07001	0.6
118.35410	0.5
119.04951	100.0
119.08595	1.6
120.05328	0.7
120.12586	0.5
121.06550	1.2
121.10127	0.8
122.02748	1.6
123.04483	2.7
123.08118	0.7
127.03928	5.8
131.04944	0.6
131.08638	0.9
133.10068	0.8
135.07991	0.9
137.05988	3.7
145.04968	5.7
147.04424	65.6
147.11682	0.9
151.07564	0.7
153.08983	0.6
163.06052	0.7
163.11227	0.7
164.09290	0.9
165.05490	39.0
165.12801	0.7
174.99243	16.0
187.48160	0.5
197.10144	0.5
206.12624	1.4
223.69728	0.5
234.32474	0.5
235.13342	2.9
248.37135	0.5
250.99957	3.3
277.08499	0.7
295.09644	0.6
309.17151	1.9
327.12054	0.6
327.14569	0.6
327.19229	0.9
331.78873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01873	1.0
55.05514	0.7
57.03429	1.3
61.02936	2.4
65.03964	0.7
67.05504	1.5
69.03435	3.9
69.07082	0.7
70.06593	1.4
70.49192	1.4
72.08160	1.2
73.02929	0.6
79.05490	1.7
81.03425	2.8
81.04514	0.7
81.07047	1.4
82.39619	0.5
84.08148	1.4
85.02912	15.8
86.09715	1.7
87.04444	0.6
87.33494	0.4
91.03958	0.7
91.05486	28.0
93.07028	0.8
95.04988	2.3
95.08558	0.5
97.02910	3.6
97.06561	0.5
98.98473	100.0
103.05494	0.5
105.07037	1.4
107.04951	0.7
107.08611	0.7
109.02898	3.1
109.10143	0.5
114.83110	0.5
116.99523	1.7
117.32419	0.5
119.04950	53.5
119.08601	1.2
120.08115	0.8
120.69365	0.5
121.06479	0.5
121.10166	0.5
123.04438	2.4
127.03931	1.8
128.92967	0.5
129.06963	0.5
131.08586	1.1
133.06590	0.5
133.10156	0.5
135.11690	0.5
137.05988	3.9
141.10271	0.4
145.04984	2.9
147.04420	34.4
151.07529	1.1
151.11172	0.5
153.05449	0.5
161.06039	0.8
163.11223	0.5
164.09331	9.2
164.10606	0.3
165.05493	22.1
165.09216	0.7
168.17307	0.5
174.97710	0.9
174.99236	16.9
175.00702	1.0
189.12865	0.7
200.14018	1.0
228.13536	0.7
235.13295	3.0
251.00095	3.1
295.09695	0.7
306.83032	0.5
309.17407	2.1
327.11807	0.7
327.19269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15346	0.7
55.01863	1.4
56.96297	1.3
56.96571	20.7
57.03440	2.0
61.02924	2.2
69.03439	1.1
69.39145	2.5
69.39571	3.0
69.93800	0.7
71.95269	2.2
73.02933	1.0
81.03389	1.3
82.99852	0.9
83.04978	0.8
84.04494	3.1
84.08131	0.8
84.96016	0.9
85.02911	2.1
97.02892	4.0
98.97594	36.9
98.98359	1.7
98.98489	1.6
99.97927	0.8
101.00883	6.8
103.00621	1.3
109.02860	0.9
110.02429	0.7
110.97588	2.8
113.03497	2.5
113.20658	0.7
115.02427	1.1
116.98630	22.8
119.01932	20.9
120.02029	2.5
121.01678	2.9
124.02457	1.5
124.96030	0.8
128.98630	0.9
130.04958	0.9
134.99695	8.2
136.93124	1.1
137.02950	5.3
140.96135	0.9
142.03514	9.8
143.03682	1.0
144.03192	0.9
151.40404	0.9
154.94179	3.1
158.01227	1.1
158.97256	2.8
158.99867	1.9
160.04558	2.4
172.95313	1.8
174.97543	1.0
176.98341	0.9
177.00961	14.0
178.01088	0.8
179.00743	2.2
181.00514	1.6
182.97144	1.0
185.03012	0.8
194.91339	0.8
194.96706	1.5
200.98270	7.6
201.00961	1.7
202.93556	0.9
203.00768	1.2
205.00415	0.8
212.92329	2.6
214.95815	2.3
215.97256	1.2
217.04138	2.3
219.02019	17.3
220.02168	1.1
221.01796	15.2
221.92870	2.4
222.01923	1.5
223.01540	16.4
223.96866	2.5
224.98338	3.0
225.01019	2.4
225.93953	1.6
227.95537	3.1
228.45399	1.3
228.97908	2.5
230.45740	1.1
230.93393	3.5
230.95743	1.2
232.97104	1.4
234.94405	2.0
235.97003	1.0
238.95604	7.6
239.46266	2.8
239.96210	1.5
242.99413	6.1
243.02040	11.3
243.95189	1.4
244.03246	1.1
244.44963	1.0
244.97490	1.2
246.03214	1.1
249.97090	1.0
250.97318	3.1
251.96951	1.3
253.97865	0.9
254.93578	2.7
255.95227	1.1
256.96658	30.3
257.96783	4.3
258.96436	4.8
260.96262	2.8
261.03085	100.0
261.53638	1.1
261.97238	2.5
262.03235	4.0
263.03305	1.6
263.46445	1.0
263.52768	0.8
263.94748	2.4
266.93900	0.9
270.91080	0.9
272.94705	2.8
274.94635	1.5
274.97742	7.3
275.45468	3.0
275.48358	1.0
275.94608	1.7
277.00882	1.0
277.93622	1.2
278.92661	1.0
278.97131	1.2
279.98221	10.6
283.97174	1.0
284.00122	1.7
284.04672	3.5
284.46255	1.3
284.95343	4.0
285.00378	2.5
285.45795	1.1
287.27011	0.9
287.60345	0.9
288.92438	1.4
290.92508	1.9
290.95221	2.8
291.42368	0.9
291.49396	0.9
292.91187	0.9
292.94394	1.4
293.27728	2.7
293.60730	2.7
293.94244	2.7
294.61041	1.8
294.94281	2.9
295.27713	2.0
295.61020	1.5
296.91052	1.1
297.99316	1.5
298.95132	2.3
299.28101	3.3
299.61319	1.8
300.61539	3.1
300.94858	5.5
301.22849	1.8
301.28323	4.1
301.61328	2.9
301.90112	1.1
301.94516	2.4
302.01398	1.8
302.97290	10.3
303.00757	1.6
303.04257	2.4
306.61719	1.2
306.95132	1.4
307.23312	3.1
307.28629	1.5
307.56592	1.6
307.89920	1.2
308.89966	1.5
308.93164	1.1
309.57483	1.3
310.89215	1.5
311.46103	2.8
311.95697	1.3
313.23645	1.5
314.95660	1.5
317.93332	2.2
318.93289	1.0
319.89658	1.1
325.98584	1.4
326.02155	1.2
326.12000	1.4
332.91364	1.5
337.92349	1.9
338.92316	0.9
344.01996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01878	3.6
55.05517	7.5
57.03444	4.5
59.04997	1.4
61.02931	9.4
67.05505	1.9
69.03089	1.0
69.03438	14.8
69.07069	2.9
70.06595	3.3
71.04983	3.4
72.08150	3.3
73.02914	4.1
79.05499	1.2
80.24632	0.7
81.03421	7.1
81.07060	1.8
83.08626	25.9
84.08162	1.9
85.02911	100.0
85.83675	0.7
86.09708	6.0
87.04466	2.7
91.03967	6.8
91.05482	2.1
93.07053	1.6
97.02898	22.2
97.06559	0.7
98.98471	30.6
99.04463	5.1
100.03973	1.4
101.09659	18.3
105.07010	0.8
107.08572	1.6
109.02875	7.6
114.50934	0.8
116.07063	1.1
116.99581	0.9
119.04946	0.7
119.10707	1.6
120.08138	2.5
121.06511	0.8
122.02745	1.4
127.03934	21.4
130.04988	1.4
130.06659	0.7
132.04480	3.1
135.11638	0.9
137.05991	1.6
145.04970	47.3
147.10175	7.1
153.14786	1.0
154.08699	1.3
161.06055	0.9
163.06039	11.1
173.02934	1.0
174.99248	2.9
179.07117	0.9
193.12343	0.9
195.13826	1.0
205.12270	2.2
245.05040	0.8
270.27087	0.8
303.05014	7.0
304.05490	2.5
308.25916	1.6
309.18231	1.1
326.19458	5.8
326.27069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03942	3.6
55.01879	4.9
55.05516	20.1
57.03445	6.5
57.07071	6.6
61.02930	4.5
67.05514	35.4
67.43008	2.7
69.03436	18.0
69.07072	62.6
70.15840	9.6
71.04992	11.3
71.08647	4.6
73.02921	2.5
75.01217	2.3
79.05494	15.0
81.03417	7.0
81.07062	100.0
83.08628	16.8
85.02908	36.2
85.06564	14.3
91.05494	9.7
93.07048	30.6
95.04986	7.4
95.08615	80.6
95.09148	2.1
97.02895	8.6
97.06549	9.2
97.10181	8.8
99.04422	2.7
99.08112	6.0
105.07041	19.0
105.87154	2.5
105.88987	2.5
107.08614	29.0
109.02879	6.0
109.06506	19.6
109.10171	38.5
111.08092	24.0
111.11718	13.5
113.06024	4.5
119.08569	16.2
121.06495	3.3
121.10136	23.9
123.08089	11.8
123.11713	46.5
125.09637	2.9
127.03937	9.6
131.08624	3.3
133.02866	2.6
133.10139	9.5
135.08049	3.0
135.11702	17.2
137.05995	4.1
137.13266	25.2
139.11183	15.0
145.04939	12.5
145.15707	2.5
147.11691	12.1
149.13284	15.8
151.07489	2.5
151.11172	7.5
153.12759	8.5
159.11653	2.9
161.13219	3.8
163.11168	2.9
163.14841	6.6
165.12732	14.3
167.14325	3.1
169.12239	5.1
175.14812	4.7
177.16393	2.7
183.13820	5.7
187.14786	3.1
189.16385	3.4
209.19058	2.8
239.06955	2.7
253.67729	3.0
271.24234	7.4
275.15567	2.8
277.25269	10.7
289.18121	6.7
289.25269	19.3
295.26395	4.2
307.19208	5.1
307.26340	30.1
323.52673	2.6
325.10599	2.7
325.16504	36.1
325.27377	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03943	1.4
55.01868	2.4
55.05508	11.6
55.68041	0.7
57.03427	2.2
57.07070	5.9
59.05001	2.5
61.02910	1.5
65.03931	1.0
67.05507	28.5
69.03436	3.6
69.07070	25.8
69.78426	1.5
69.78831	2.6
71.04985	4.4
71.05322	0.5
71.08638	0.9
73.02949	0.8
73.06570	0.7
79.05493	10.6
81.03429	1.8
81.07056	100.0
83.04968	1.8
83.08618	8.4
85.02897	6.8
85.06547	12.6
91.05469	4.2
93.07050	12.8
95.04971	1.8
95.08608	39.3
97.02889	1.7
97.06541	5.7
97.10181	4.8
98.21462	0.8
99.04478	0.7
99.08092	5.3
105.07030	7.2
107.08600	14.0
109.06533	2.6
109.10159	46.7
111.08079	11.7
111.08782	0.9
111.11734	3.5
113.05933	0.7
113.09765	1.0
115.07523	1.1
119.08588	6.6
119.68031	0.7
121.10143	11.4
123.08092	1.7
123.11706	82.0
125.09647	3.1
127.03914	1.7
127.07576	1.0
127.11189	2.2
131.08559	2.1
132.04895	1.1
133.10133	3.1
135.11670	5.9
137.05948	0.8
137.09669	1.5
137.13254	7.8
139.11171	6.0
141.12755	3.8
142.07790	0.8
145.04982	2.8
145.10159	1.5
147.11697	4.8
149.13252	13.1
151.11205	3.2
153.12756	2.3
155.14328	0.8
159.11688	1.8
161.13258	3.5
163.06078	0.8
163.14847	2.8
165.12720	4.1
169.12317	2.8
173.11794	0.9
173.13287	1.1
175.14856	1.9
177.16467	1.7
181.12312	0.9
183.13930	1.1
187.13251	5.6
187.14790	1.0
189.09064	0.7
189.16373	1.4
191.17946	1.0
201.16422	1.7
203.17868	1.0
204.45660	0.7
205.19626	1.2
215.17857	0.9
229.19640	0.8
271.24194	1.7
277.25375	2.6
289.25269	7.7
295.26245	5.8
307.09686	0.7
307.18723	0.8
307.26346	15.8
325.10843	0.8
325.14563	2.1
325.21869	0.8
325.27475	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	325.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16599	1.3
53.03950	2.3
55.01871	6.0
55.05518	23.7
57.03430	7.0
57.07079	8.9
59.04999	3.3
60.18098	1.3
61.02936	7.1
65.03946	2.7
66.92587	1.3
67.05507	36.7
69.03426	14.1
69.07069	64.7
70.06600	1.6
71.04990	10.9
71.08621	3.4
71.52401	1.9
73.02919	3.4
78.43617	1.5
79.05492	21.5
81.03413	7.7
81.07058	100.0
83.04983	5.9
83.08622	21.8
85.02909	53.3
85.06532	16.0
87.04488	2.9
91.03958	5.1
91.05480	14.3
93.07048	32.6
94.06526	1.3
95.04992	10.1
95.08609	77.6
95.92480	1.4
97.02892	11.9
97.06525	11.6
97.10168	9.1
98.20835	1.8
99.04457	2.9
99.08086	9.1
101.06029	2.0
105.07038	20.5
107.05009	3.4
107.08598	35.7
109.02865	6.3
109.06523	14.9
109.10163	60.2
111.08086	23.4
111.08801	2.5
111.11714	10.6
113.05995	11.2
113.09695	2.9
117.07023	4.2
119.08588	17.5
121.06525	3.5
121.10146	24.9
123.08073	10.5
123.11702	32.6
125.09615	7.3
125.13234	1.6
127.03928	10.1
127.11221	3.0
131.08583	4.3
133.10133	14.0
135.08067	1.9
135.11685	15.4
136.07722	1.5
137.05980	4.4
137.09619	4.8
137.13286	13.6
139.11176	10.4
141.09161	2.5
142.07680	1.5
143.08397	1.6
145.04979	17.7
145.10098	7.0
147.08061	1.9
147.11703	12.6
149.09583	2.6
149.13255	19.6
151.03835	1.7
151.07553	2.1
151.11212	11.7
151.14842	3.3
153.12740	7.3
159.11702	7.0
161.13242	8.0
163.06006	4.4
163.11153	3.2
163.14824	7.4
165.12749	8.8
166.52071	1.4
167.14348	1.7
169.12234	2.9
173.13264	3.9
175.14861	6.4
177.05508	2.3
177.12624	1.5
177.16426	3.9
179.14354	2.1
179.18199	1.4
181.12219	3.6
187.14761	2.5
189.16374	4.2
193.15927	1.9
199.11169	2.0
201.05507	1.8
201.16405	2.9
203.17978	4.4
207.17490	1.7
209.09729	1.3
209.19113	2.2
215.14531	1.5
215.17970	3.0
217.12283	1.5
219.21072	3.2
233.06013	1.5
233.19164	1.7
243.17233	1.7
244.09624	1.9
245.22681	2.7
249.22029	1.5
250.06177	1.5
259.24228	4.4
261.18668	2.4
265.08493	2.5
271.17056	1.8
271.24237	6.5
277.25256	12.9
289.18042	6.1
289.25220	18.6
290.88837	1.6
295.26282	5.3
307.18945	8.4
307.26324	41.3
307.29938	2.0
325.10892	3.4
325.16095	25.5
325.19983	8.5
325.27448	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	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.57201	0.8
51.02348	1.0
53.03941	1.2
55.01859	4.5
55.05512	16.9
57.03439	1.2
57.07080	8.4
59.05002	3.4
65.03942	1.8
67.05508	32.0
69.03433	3.3
69.07072	34.5
69.11626	0.6
70.27970	1.7
71.05011	7.0
71.08632	2.8
73.06551	1.6
74.81754	0.8
75.73560	0.7
79.05493	12.3
81.03418	3.4
81.07059	100.0
81.74555	0.8
83.04987	2.0
83.08621	12.0
84.08160	0.8
85.02911	1.9
85.06548	13.3
89.03956	0.7
89.06013	1.1
91.05475	6.5
93.07047	26.0
95.04970	2.8
95.08610	66.0
96.08950	0.9
97.02882	1.9
97.06541	6.7
97.10173	5.6
99.08072	5.3
105.07038	11.1
107.04937	0.9
107.07878	1.6
107.08601	30.9
109.02901	1.1
109.06524	2.7
109.10159	41.2
111.08086	26.4
111.08871	0.8
111.11755	2.7
113.06056	0.8
113.09679	0.7
113.91973	0.8
115.07622	1.1
117.03422	1.4
117.07037	1.4
119.08580	9.2
121.06557	1.2
121.10151	20.8
123.08112	1.9
123.11714	59.2
125.09680	4.4
125.13295	0.8
127.07555	2.2
127.11240	1.5
130.89058	0.7
131.08592	1.5
133.10117	6.5
135.04445	2.2
135.08078	1.5
135.11710	12.5
137.06033	2.2
137.09639	1.0
137.13257	14.0
137.14241	0.9
139.11195	5.2
141.12782	2.6
145.02859	1.5
145.06398	0.8
145.10158	2.9
145.55353	0.8
147.08022	0.7
147.11688	7.4
149.06030	0.9
149.09612	1.3
149.13261	20.8
151.11183	6.4
151.14883	1.0
153.12759	5.5
155.14346	1.3
159.11673	3.9
161.13286	4.6
163.03931	12.5
163.11206	1.7
163.14818	5.0
165.12808	3.4
167.14291	1.7
167.89932	0.9
169.12241	3.4
173.13353	1.9
175.07516	1.2
175.14793	3.9
177.06905	0.8
177.16423	2.9
179.14317	1.7
183.13788	1.7
186.03307	1.0
187.13358	2.6
189.16388	1.3
191.18013	2.5
201.05547	2.2
201.16467	1.6
203.17944	1.6
205.06598	1.9
215.17995	2.4
219.21165	1.1
221.05975	0.9
221.19179	0.9
222.06824	1.8
233.06129	1.2
233.18912	1.0
247.07866	0.7
249.05609	1.1
250.06311	1.5
251.20135	1.1
259.24292	1.2
263.23856	1.4
265.08685	2.8
267.06430	0.9
268.12546	0.7
271.24326	2.5
276.48901	0.8
277.25290	3.4
278.05841	1.3
289.25293	10.6
292.07397	1.6
293.08145	3.3
295.26346	1.3
297.11307	1.0
307.09488	2.2
307.26303	26.2
325.07120	1.0
325.10779	7.5
325.15961	2.4
325.23969	1.4
325.27380	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48693	1.2
51.02381	1.6
53.03946	3.1
53.37814	1.2
55.01872	3.8
55.05515	12.6
55.67621	1.2
57.03446	7.5
57.07076	9.7
65.03929	2.2
67.05511	100.0
67.53896	1.3
68.69476	1.4
69.07076	22.1
69.90381	5.9
71.04644	1.3
71.04997	7.7
78.63136	1.3
79.05498	60.0
81.07063	97.0
83.04990	3.3
83.08620	7.9
85.02872	1.5
85.06554	8.1
85.06970	1.3
91.05481	30.7
93.07051	83.0
95.04976	7.9
95.08614	90.6
97.06533	8.8
97.10158	2.9
98.20763	2.5
99.08097	5.2
105.07041	27.3
107.08607	46.1
109.06510	3.6
109.10163	36.8
113.09637	4.8
117.07027	14.1
119.08597	22.4
119.27442	1.4
121.06511	2.3
121.10153	58.1
123.08084	7.1
123.11726	25.9
125.09632	4.5
129.05524	2.7
129.06966	2.9
130.07800	1.4
131.08586	27.6
133.10146	24.5
135.08073	3.7
135.11700	53.6
135.12732	2.7
137.09636	3.9
137.13269	8.0
141.09131	7.2
142.07741	1.6
143.08588	3.6
145.10127	24.2
147.11707	16.1
149.09625	6.6
149.13275	29.8
151.11201	4.6
153.12711	1.5
154.07813	1.6
155.08646	1.8
157.10146	3.2
159.10220	6.3
159.11720	22.6
161.13316	3.4
163.11182	3.5
168.09306	1.5
169.10182	1.5
171.11687	1.4
173.13284	20.0
175.14879	2.7
177.12743	3.4
183.11783	2.2
187.14801	4.2
189.16318	2.4
192.92355	1.4
193.12227	1.5
205.19540	14.1
215.17960	59.8
233.19029	91.3
251.20140	6.0
261.18707	1.7
269.15320	1.9
279.19586	5.0
294.76443	1.4
307.19553	2.2
307.22910	13.5
317.30911	1.7
325.14413	1.5
325.20145	1.4
325.24057	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01592	2.1
55.01865	5.8
55.05512	27.8
57.03434	7.1
57.07069	2.8
57.88033	2.5
59.04997	3.3
65.03911	3.1
67.05507	51.3
69.03418	8.1
69.07069	34.2
69.23224	22.1
71.04996	29.5
73.06561	3.7
75.61387	2.2
77.03883	2.6
79.05495	43.9
81.03404	9.5
81.07060	62.5
83.04975	7.3
83.08611	13.8
85.02896	8.8
85.06533	7.6
86.09692	9.3
87.04472	6.2
87.10021	4.6
91.05486	42.2
93.07048	49.6
95.04972	24.3
95.08605	46.6
97.02862	2.6
97.06533	16.4
97.10158	9.3
99.08085	9.7
105.07037	61.6
107.04976	7.4
107.08606	38.3
109.06519	12.0
109.10157	21.6
111.08083	6.6
113.09660	2.6
115.05516	2.6
117.07004	17.1
119.08577	52.9
121.06539	11.2
121.10149	25.3
123.08070	9.5
123.11706	6.4
125.05965	3.1
125.09599	7.2
127.03942	4.2
128.06223	3.1
129.07043	5.1
130.06544	3.0
131.08575	23.2
133.06490	3.1
133.10132	41.4
135.08058	13.1
135.11722	15.4
137.05980	7.2
137.09593	6.3
137.13252	2.2
139.11134	6.2
139.93710	2.3
141.07018	3.7
142.07814	2.7
143.08589	9.4
145.04930	2.6
145.10144	27.2
147.08031	5.4
147.11699	21.9
149.09654	17.0
149.13275	7.0
151.07591	3.4
151.11166	9.3
152.11565	4.9
153.07024	2.2
155.08557	4.4
157.10114	12.1
159.08064	4.2
159.11716	22.3
161.13289	6.8
163.03925	3.8
163.11176	10.1
165.12752	2.4
167.10591	2.5
169.10109	7.1
171.11716	11.7
173.09607	2.9
173.13234	7.4
175.11162	5.8
177.12828	5.6
179.08511	3.8
181.10242	3.0
183.11673	9.8
185.09596	2.9
185.13290	3.1
187.11235	3.0
187.13190	2.4
187.14700	4.2
189.12744	2.6
193.10173	3.7
195.11615	4.7
196.12405	2.9
197.13261	4.7
201.12737	3.0
209.13182	4.4
211.14742	3.9
215.14217	2.8
215.17929	4.0
223.14819	5.5
225.16370	3.6
225.94131	2.4
229.08675	3.7
229.19377	3.7
233.19058	4.2
235.17085	2.8
239.17940	7.1
247.20500	4.5
249.18620	4.9
257.19022	11.7
265.21454	2.9
275.20071	100.0
277.21741	5.5
279.21335	6.4
289.18015	5.4
293.11533	3.3
293.21014	8.7
307.19650	3.8
307.22778	45.1
310.11841	3.2
325.14325	25.9
325.21304	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01865	2.2
55.05514	14.9
57.03439	8.6
57.07084	8.6
63.25471	1.0
64.07067	0.9
65.03918	3.9
67.05508	96.3
69.03429	1.8
69.07067	13.2
69.39494	6.2
71.04991	6.4
71.08623	1.7
75.04456	1.3
79.05495	65.8
81.07060	100.0
83.04971	2.8
83.08624	8.4
85.06539	5.9
89.88158	1.3
91.04915	1.7
91.05483	28.7
93.07047	85.1
95.04961	4.5
95.08612	71.0
96.08978	1.1
97.06532	6.2
97.10188	2.4
98.21530	2.0
99.08090	8.4
105.07030	21.8
107.08598	50.2
109.06533	2.2
109.10162	40.9
111.08068	3.3
113.09667	5.1
117.07029	12.9
119.08585	19.4
121.10149	62.0
123.08044	1.5
123.11710	27.6
125.09634	4.4
129.05434	2.0
129.06975	1.6
131.08569	27.8
133.10133	27.0
135.08052	2.9
135.11697	62.2
137.09625	4.3
137.13289	5.9
139.11203	3.8
145.10136	21.5
147.11707	15.3
149.09578	2.6
149.13264	31.9
151.11185	3.7
159.11697	23.2
161.13261	5.3
163.11136	4.9
163.14844	2.9
165.12717	1.4
165.76993	1.0
173.13275	19.3
175.14874	3.0
177.12798	4.5
187.14827	6.4
189.16336	2.6
191.14307	2.1
191.17996	2.9
205.15915	2.8
205.19521	15.0
215.17964	78.5
217.19611	1.2
233.19014	99.3
234.19336	1.4
235.20670	1.8
251.20012	8.5
307.22711	18.1
325.23773	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01868	1.7
55.05511	12.4
57.03428	5.6
57.07077	7.7
62.94673	1.1
65.03923	3.1
67.05508	78.3
69.03438	1.2
69.07072	11.9
69.48441	1.7
69.48836	6.8
71.04993	6.9
75.04460	1.7
78.16319	1.2
79.05495	61.1
79.42580	1.1
81.07059	81.2
83.04969	2.4
83.08619	8.8
85.02898	4.3
85.06550	7.7
90.50903	1.2
90.97321	1.2
91.05486	26.9
93.07048	75.6
95.04992	7.5
95.08612	52.6
97.02888	1.6
97.06527	5.8
97.10137	2.5
99.08110	8.6
104.78994	1.1
105.07037	24.7
107.08598	44.6
109.06514	3.7
109.10160	31.2
111.08069	2.6
113.09647	4.5
117.07032	14.1
119.08594	19.3
121.10150	53.8
121.33242	1.0
123.08051	2.0
123.11714	20.6
125.09653	3.6
129.06995	1.5
131.08580	24.8
133.10133	19.7
135.08070	2.3
135.11696	56.4
137.09630	2.7
137.13272	5.6
139.11151	3.1
143.08603	2.8
144.09325	1.2
145.10130	20.1
147.11676	18.6
149.09622	4.2
149.13266	28.0
151.11186	3.0
157.10220	1.7
159.11699	23.8
161.13258	5.8
163.11195	4.1
171.11671	2.3
173.13268	19.7
175.14803	2.3
177.12735	3.5
187.14833	5.5
189.16380	3.2
191.14240	2.4
191.17995	1.8
193.04991	1.6
205.15814	2.8
205.19528	12.6
215.17972	65.6
230.41646	1.2
233.19012	100.0
234.19205	1.6
235.20636	2.1
251.20096	4.1
299.58743	1.1
307.22681	7.0
325.23795	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05507	14.2
57.03419	6.1
57.07075	7.1
67.05510	88.6
69.07074	13.4
70.42511	7.1
71.05001	7.6
79.05498	63.2
81.07062	92.8
83.08611	8.6
85.06540	8.9
91.05482	29.1
93.07052	79.3
94.71130	2.1
95.05000	4.2
95.08614	56.1
97.06542	7.3
97.10167	3.9
99.08092	10.3
105.07034	26.1
107.08604	44.0
109.06526	2.9
109.10155	35.7
111.08056	3.5
113.09648	4.0
117.07034	12.3
119.08572	20.2
121.10150	56.7
123.11707	25.6
131.08562	25.7
133.10165	25.1
135.08057	3.8
135.11702	66.8
137.13260	5.5
145.10141	23.6
147.11674	20.2
149.09605	3.1
149.13272	27.6
159.11710	29.7
161.13312	5.6
163.11232	4.3
163.14868	2.7
173.13242	18.1
175.14891	3.3
177.12852	2.8
187.14784	4.1
189.16301	2.6
205.15933	2.2
205.19516	16.7
215.17966	75.4
233.19016	100.0
251.20047	5.5
307.22626	7.3
325.23740	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01860	1.9
55.05509	1.7
56.05030	1.2
57.03435	1.2
60.36066	0.6
61.02914	1.5
67.05502	2.2
68.05019	0.9
69.03439	3.8
69.07076	1.7
70.06598	5.7
70.08142	2.4
71.04984	1.8
72.04517	6.0
72.08152	2.3
73.02924	0.7
79.05492	3.7
80.05010	0.7
81.03409	2.2
81.07073	4.0
83.08636	0.7
84.04047	0.9
84.04508	10.7
84.08154	7.3
85.02909	19.1
85.06524	0.7
86.06075	5.8
86.09713	2.6
87.04443	1.3
88.03966	0.6
91.05489	2.8
91.60511	0.5
93.05790	0.7
93.07047	6.8
95.01340	1.0
95.04941	1.8
95.08591	2.0
96.08116	1.5
97.02884	2.3
98.06035	0.8
98.09691	1.3
98.97552	0.6
99.04450	1.0
102.05547	8.9
103.05472	0.9
105.07034	3.1
107.04924	0.7
107.08595	4.2
108.08121	41.3
109.02893	1.0
109.06507	0.7
109.10168	0.8
110.07175	0.8
110.09671	3.1
112.03968	1.0
114.05568	0.7
117.03362	0.7
119.08570	1.9
120.08115	3.4
121.06525	1.3
121.10140	1.9
122.09685	2.9
123.08063	1.3
123.10461	1.0
124.11197	1.0
127.03922	1.4
129.10260	1.3
130.05008	67.1
131.04950	1.6
131.08545	2.2
132.06570	9.3
132.08083	0.7
133.10143	0.7
134.09677	1.4
135.04417	1.6
135.08105	0.8
135.11696	5.4
136.07549	0.9
136.11186	0.9
137.05980	2.3
138.09122	1.4
142.05006	0.7
145.04967	1.8
145.06464	2.2
145.07539	0.7
145.10121	1.6
147.04425	1.0
147.09161	2.4
149.09636	3.3
150.12782	12.0
151.07532	1.9
151.13542	3.1
152.14348	86.9
153.14856	0.5
154.15930	4.3
163.03941	5.5
163.06064	0.7
163.07535	2.2
163.11188	2.4
166.08568	0.7
178.15938	2.7
190.15874	1.3
191.08205	5.7
191.10692	1.3
192.17381	0.7
193.13406	0.9
196.16978	21.1
218.15356	0.7
219.02910	0.8
222.14693	0.8
225.06688	0.8
233.09862	0.5
235.18086	3.3
236.16406	0.8
237.19653	1.0
247.10402	0.5
253.06047	0.7
262.08780	0.6
264.15945	11.4
265.11774	0.8
266.17633	1.2
267.08545	2.9
279.10397	0.7
279.13736	0.8
281.18604	100.0
282.18814	0.8
283.20190	1.9
293.08499	0.6
293.11765	1.2
295.09604	0.6
307.09467	0.7
307.12708	2.0
308.18558	3.0
316.12521	0.8
324.61722	0.6
325.14444	6.5
325.21225	76.5
326.21341	0.8
331.42191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05506	1.5
56.05029	1.0
57.03435	2.0
67.05506	1.6
67.66348	0.6
68.05020	1.3
69.03421	3.8
69.07083	1.4
69.75997	3.4
70.06585	2.6
71.04984	1.4
72.08150	0.6
79.05499	2.6
80.05022	1.3
81.03413	2.8
81.07050	2.8
82.06564	1.5
83.04996	0.7
84.04515	11.2
84.08146	3.0
85.02911	20.2
86.06069	5.3
86.09706	1.3
87.04481	0.7
91.03912	0.8
91.05476	2.0
93.05790	0.7
93.07056	4.8
95.01347	1.2
95.04977	0.9
95.08607	2.4
96.04505	0.7
96.08133	1.8
97.02896	2.2
98.06061	1.8
99.04468	1.0
102.05556	8.5
105.07034	2.0
107.04972	0.9
107.08605	3.0
108.08125	37.0
109.02909	0.9
109.06535	0.9
109.08930	0.8
109.10221	0.8
110.09707	3.0
112.03936	1.4
114.05514	0.9
119.08615	1.0
120.08144	1.0
121.06510	0.8
121.08438	0.7
121.10150	1.8
122.09644	3.0
123.08040	1.1
123.10466	1.8
124.11253	1.2
127.03938	1.6
130.05013	71.7
133.02850	1.3
133.10101	1.1
134.09648	1.6
135.04378	1.2
135.08058	0.8
135.11707	5.6
136.11209	0.7
137.05960	1.5
142.04977	0.8
145.04956	1.9
145.10162	1.0
148.11220	0.8
149.09641	1.1
150.12788	10.2
151.13596	2.6
152.14352	89.2
154.15968	3.1
161.13292	1.1
163.03876	3.7
163.11192	1.4
168.06580	0.7
173.07095	1.0
177.06976	0.7
178.15906	2.5
191.08188	8.8
192.13905	1.1
196.16991	32.0
205.06432	0.8
235.18102	2.2
236.16486	1.6
261.19632	0.9
264.15936	12.2
266.17804	0.9
267.08679	2.5
281.18616	69.6
283.20215	1.8
292.07205	0.7
293.08167	0.7
307.12814	2.6
307.19916	1.1
308.18649	3.9
325.13559	4.3
325.21231	100.0
326.21658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03940	17.2
55.01865	10.6
55.05515	19.6
57.03441	18.5
67.05183	4.8
67.05508	66.1
69.03432	14.2
69.07070	25.4
71.01903	5.8
71.04984	8.1
79.05494	44.1
81.03426	38.9
81.07056	66.9
82.73077	2.9
83.04990	38.1
83.08608	10.7
85.02897	6.4
85.06554	5.9
91.05493	41.3
93.07047	38.0
95.01300	3.1
95.04981	26.2
95.08610	38.1
97.02876	4.1
97.06532	100.0
97.10185	5.1
105.07047	28.6
107.04965	33.7
107.08591	28.2
109.06537	17.8
109.10159	30.7
111.04434	27.4
111.08070	10.0
113.06026	8.0
115.55195	3.2
117.07014	12.8
119.08582	20.1
121.06515	9.5
121.10147	12.9
123.04432	9.3
123.08090	13.9
123.11682	9.9
125.09658	4.0
127.03912	3.4
128.06258	3.6
129.05559	2.9
129.06982	5.7
131.08536	18.8
133.06535	3.8
133.10120	39.0
135.08025	10.6
135.11673	11.1
137.05980	6.9
137.09627	4.2
141.06929	6.6
143.08562	8.8
145.06479	12.2
145.10098	11.3
147.08054	8.3
147.11705	7.5
149.09566	5.8
149.13277	7.5
151.07460	4.1
151.11185	13.0
155.08562	10.0
157.10036	3.7
159.08086	13.5
159.11662	16.2
161.09569	4.4
163.03978	3.7
163.07501	5.4
163.11162	8.4
169.10088	6.5
169.12222	3.3
171.11703	3.0
173.09592	3.4
173.13319	3.4
177.12735	12.9
179.10660	4.2
183.08107	5.2
183.11638	3.6
185.13293	3.7
187.11206	15.2
193.12256	3.6
195.13791	9.8
201.09201	5.6
205.12218	4.6
215.17926	4.1
223.13240	18.4
225.16457	4.8
229.08546	23.9
233.09538	3.2
233.15327	12.5
237.10318	5.1
238.11101	19.4
241.14359	27.1
243.17363	6.2
253.15779	2.8
261.18515	14.6
271.16953	11.5
275.20050	5.7
289.14984	5.3
289.18005	68.0
297.12265	14.1
305.83643	3.0
307.19019	30.7
325.11462	21.6
325.14926	55.9
325.20868	13.2
334.17902	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	325.201
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03954	1.4
54.67996	0.5
55.01867	2.8
55.05513	6.9
57.03447	3.0
57.07072	1.6
59.04989	0.7
67.05509	20.2
67.15087	0.6
67.65181	0.5
69.03436	1.4
69.07068	13.7
70.37604	2.3
71.05011	3.0
73.02907	0.6
79.05502	11.4
81.03421	3.5
81.07060	19.7
83.04987	2.4
83.08629	2.5
84.29000	0.6
85.02905	1.4
85.06551	1.9
91.05489	6.5
93.06470	1.2
93.07046	11.4
95.04966	6.1
95.08613	100.0
97.02890	1.5
97.06548	5.2
97.10158	1.3
99.08060	0.6
99.20192	0.8
105.03445	0.7
105.07037	7.9
107.04969	2.1
107.08595	6.2
109.02868	1.0
109.06516	5.3
109.10166	3.6
111.08104	1.7
113.09679	1.1
117.07016	1.5
119.04980	1.1
119.08583	4.4
121.06532	2.8
121.10166	6.6
123.04478	1.0
123.08073	13.4
123.11690	1.1
125.09662	1.5
129.07024	1.3
131.08582	3.3
133.06487	1.6
133.10110	3.7
135.04443	0.8
135.08066	2.1
135.11697	2.5
137.06029	2.0
137.09634	1.5
139.11171	0.9
141.06973	0.8
141.09105	13.4
142.07788	1.1
143.08585	3.0
145.04958	0.8
145.06552	1.2
145.10129	3.5
147.08015	0.8
147.11682	1.8
149.09612	1.9
151.07573	1.8
151.11197	0.6
154.07780	0.8
155.08588	1.2
157.10170	2.2
159.08064	1.6
159.10188	25.4
159.11671	2.5
161.09647	1.3
163.03922	1.5
163.07510	1.0
163.11200	1.7
165.09155	1.7
167.10754	0.6
169.10181	1.7
171.11742	1.8
173.09686	1.3
173.13248	0.9
175.11252	1.0
177.09209	0.7
183.10205	0.7
183.11755	1.5
187.11185	1.0
191.14232	0.7
193.10631	0.6
193.12236	4.0
197.13301	1.3
201.09056	0.9
207.11816	1.0
207.13792	0.8
209.11748	2.0
209.13470	0.9
211.13272	1.6
215.18007	1.3
221.13190	0.8
223.14963	0.9
225.16368	1.1
233.15395	0.8
233.19072	1.3
239.12839	1.5
243.17464	1.1
251.20200	1.1
261.18481	7.7
269.15448	1.0
271.17035	1.4
279.19553	14.9
289.17990	4.3
294.12521	0.8
307.18967	7.8
307.22409	0.6
310.12018	1.2
325.14462	5.3
325.19998	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	325.1398
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.66151	0.2
55.01863	0.3
56.96567	1.8
57.03439	0.3
59.83448	0.2
61.02924	0.9
69.03429	0.8
70.01968	0.7
70.06599	0.4
70.98119	0.5
72.08152	0.4
73.02910	0.9
81.13198	0.3
84.08147	0.9
85.02910	1.3
86.09714	0.5
91.05477	0.7
97.02926	0.6
98.97598	3.1
108.56911	0.2
110.07181	0.4
110.97580	0.5
116.98632	1.0
117.01867	0.3
117.05765	0.3
118.06564	3.2
127.03930	0.3
128.04666	0.3
128.98615	0.6
131.01784	0.3
133.07610	3.6
145.07620	100.0
146.08432	1.9
146.99692	0.5
147.09189	0.6
152.05690	0.4
152.99663	0.2
154.96518	0.3
155.00258	0.6
163.08681	56.6
164.08995	0.5
168.01805	0.9
172.94373	0.5
172.97574	0.7
173.99326	0.2
174.14325	0.2
175.00998	0.3
175.02654	0.2
177.00807	0.3
177.02394	0.4
177.04102	0.4
178.01096	0.4
190.95277	0.3
196.51617	0.3
198.02771	0.5
205.03748	0.3
219.03514	0.4
220.02168	0.6
225.00871	0.5
226.02490	0.4
228.03874	0.4
234.03700	0.3
234.74382	0.2
235.49675	0.3
243.98276	0.3
260.99496	0.3
278.02847	0.3
279.00754	0.2
293.01706	0.3
301.00992	0.3
302.02826	0.7
325.13962	83.3
326.14383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01867	3.0
56.09705	0.4
57.03438	3.2
59.04985	0.6
61.02913	1.0
69.03432	15.2
69.07092	0.4
70.06584	1.2
70.63800	1.2
71.01337	1.1
71.04995	6.0
72.04519	3.3
72.08145	0.9
73.02904	0.9
75.04475	0.6
79.05488	0.7
81.03423	19.1
81.07063	0.9
83.04953	0.6
84.04507	0.4
84.08131	1.3
85.02911	2.8
86.06094	0.6
86.09698	1.0
87.04490	0.4
91.05482	2.0
93.07038	1.0
95.08591	0.5
97.02896	0.9
97.06526	0.3
98.97546	0.4
99.04460	7.4
99.05511	0.4
102.05533	0.5
105.07050	0.7
105.17507	0.3
107.08582	0.8
108.08093	1.2
116.05008	0.7
117.05477	1.9
117.07005	0.6
118.06561	5.2
120.08082	1.1
121.10136	0.4
123.07980	0.5
124.56384	0.3
127.03937	0.7
128.82008	0.4
129.10254	0.6
130.05025	2.6
131.04933	0.6
131.08549	1.2
132.06587	4.8
135.04407	0.6
137.05978	1.8
144.10266	0.3
145.04951	0.5
145.06473	1.3
145.07587	7.1
145.10127	0.8
146.05956	0.3
147.09186	8.6
149.09630	2.0
150.12787	0.5
151.07524	1.5
152.14388	2.9
162.07861	1.1
163.03883	2.1
163.07565	1.5
163.08704	1.1
163.11156	1.3
173.07117	11.1
173.09497	0.6
175.07367	0.7
175.08694	6.0
177.12746	0.3
187.08707	0.4
191.08163	100.0
192.08513	1.0
196.16969	0.9
203.08232	0.8
205.09729	0.8
215.11816	0.4
231.11278	0.4
232.48465	0.4
233.09232	1.4
243.11366	0.5
261.09064	0.4
265.08682	0.4
265.11710	0.7
265.89075	0.4
267.08743	0.4
271.10733	0.5
279.13318	0.5
281.18671	3.7
289.11838	1.8
293.11746	0.4
307.12897	36.0
308.13171	0.6
323.40628	0.4
325.13965	34.8
325.21225	2.8
328.39233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1961
Annotation	CW 69D
Peak:m/z	Relative Intensity
51.03214	0.2
53.03939	0.5
55.05497	0.3
58.98907	0.2
67.05495	0.4
70.06722	0.3
70.07085	1.0
77.03922	0.4
77.94263	0.2
78.69247	0.2
79.05497	14.6
80.05846	0.3
81.07059	0.7
91.05476	0.8
92.97696	0.2
93.07046	1.6
95.04966	0.6
95.08588	0.5
98.97580	0.8
103.05473	29.8
105.07034	3.3
106.07259	0.2
107.04962	16.9
107.08630	0.5
109.10142	0.5
115.53278	0.2
117.07029	0.3
118.06548	4.1
119.08570	0.5
121.06525	1.0
121.10152	0.4
122.10444	0.3
129.60944	0.2
131.04938	9.6
132.08095	1.0
133.08836	0.3
133.10115	0.5
134.09634	0.4
135.11710	0.2
143.08482	0.3
145.10138	0.4
146.09648	1.2
147.11617	0.2
148.12012	0.3
149.05962	0.9
160.11215	1.0
165.23442	0.2
171.11678	0.4
173.01230	0.4
176.14352	41.3
177.00700	0.3
189.15106	0.5
204.10403	0.3
205.12309	0.3
214.16858	0.4
232.17867	0.5
233.14116	0.7
244.99812	0.3
247.41360	0.3
266.11798	1.0
292.10355	0.3
294.14783	0.3
306.12213	0.3
309.07095	0.2
324.19580	100.0
325.19778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1959
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
51.02369	0.3
53.03944	0.4
61.17225	0.2
67.05501	0.3
70.96844	0.4
79.05495	16.3
80.05786	0.2
91.05489	0.4
93.07028	1.3
95.04971	0.9
103.05470	31.7
105.04507	0.3
105.07037	2.1
106.24615	0.2
107.04957	18.4
118.06547	4.7
119.07340	0.3
119.91922	0.2
121.06512	1.2
129.42931	0.2
131.04932	10.5
132.08089	1.7
133.08900	1.0
134.09622	0.2
146.09630	1.6
147.10414	0.2
148.13368	0.2
149.05989	0.7
160.11220	0.8
166.20091	0.2
176.14346	42.1
177.14667	0.4
189.15100	0.4
190.08699	0.2
204.10144	0.2
233.14264	0.2
280.13245	0.2
294.50052	0.2
324.19571	100.0
325.19904	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05513	1.6
57.07069	0.5
67.05502	2.7
69.07070	10.1
69.15011	5.3
79.05505	3.0
81.07057	6.3
83.05004	3.7
86.09710	100.0
89.24010	0.5
91.05486	8.3
93.07047	11.8
95.04983	2.7
95.08598	2.1
97.06566	0.6
98.20701	0.8
105.07037	12.9
107.04956	0.6
107.08598	3.6
109.06516	9.3
109.10173	1.3
111.08067	3.1
119.08585	4.7
121.10149	1.4
121.86118	0.5
123.08067	1.0
128.10710	5.2
129.07004	0.9
131.08546	3.8
132.10216	29.2
133.06461	1.0
133.10132	17.1
145.10179	0.6
147.11696	12.7
149.09622	1.7
149.13225	1.4
151.07622	2.9
151.11191	39.7
156.10202	1.3
161.23044	0.5
165.12770	1.9
175.11203	4.2
193.12238	4.5
210.14897	0.7
222.14922	1.0
248.62596	0.5
260.20108	6.1
278.21173	30.4
306.20633	7.5
324.21701	21.3
324.25565	0.8
328.71503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.4
54.09718	2.1
55.01867	3.4
55.05502	2.4
57.03423	6.0
57.07071	1.8
61.02932	16.4
67.05502	5.4
69.03436	17.7
69.07055	4.7
69.36177	12.2
69.36597	3.6
73.02908	4.2
78.05450	1.7
79.05492	4.3
79.92549	1.8
79.99407	2.2
81.03417	7.3
81.07044	8.0
85.02911	100.0
86.85801	2.0
87.04435	2.0
91.03950	11.1
91.05479	3.1
93.07032	5.7
95.04945	2.5
95.08598	5.9
97.02894	23.0
99.04445	2.5
105.07028	3.8
107.08572	4.8
109.02871	8.3
109.06576	2.0
109.10136	3.2
119.08582	3.7
121.10135	3.1
127.03934	21.0
131.08578	1.8
133.10139	2.9
135.11684	2.2
145.04973	27.6
145.10030	3.1
149.02345	11.6
151.07484	2.9
163.05975	9.8
167.03444	12.0
173.13316	2.1
191.17900	2.7
233.19058	3.2
236.67339	2.0
269.08005	7.0
325.14380	6.9
325.17926	2.1
325.21588	6.4
325.25809	6.8
336.73819	2.2
338.30084	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69992	0.3
53.03953	2.0
55.01677	0.2
55.01876	2.6
57.03192	0.3
57.03440	3.1
59.05001	0.7
61.02921	1.1
64.48981	0.3
69.03432	15.3
69.07069	0.4
70.06589	0.5
70.86766	0.6
70.87112	0.3
71.01339	1.0
71.04996	5.6
72.08136	0.3
73.02906	1.1
75.04457	0.4
79.05486	0.5
81.03421	17.0
81.07073	0.3
84.08158	0.7
85.02893	0.8
87.04469	0.6
87.11184	0.3
91.05467	1.1
93.07052	0.3
94.46221	0.3
95.08624	0.6
96.32050	0.3
99.03854	0.5
99.04457	7.3
105.07005	0.5
107.08562	0.7
117.05500	1.6
117.06902	0.3
118.06551	4.3
120.08089	0.5
121.10152	0.6
129.10204	0.3
133.10069	0.3
145.07622	7.1
145.08694	0.3
145.10002	0.4
147.09181	7.5
149.09627	0.4
162.07886	1.2
163.03931	0.7
163.08688	1.3
163.11206	0.5
173.07111	10.8
175.08684	6.0
187.08710	0.5
191.08163	100.0
192.08530	0.3
200.09364	0.3
203.08156	0.6
205.09735	0.8
208.14359	0.3
215.11800	0.5
231.11359	0.6
233.09174	1.4
267.08685	1.1
271.10605	0.5
282.16742	0.7
289.11932	2.0
307.12888	35.9
325.13947	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
56.05030	0.9
56.96587	0.4
60.04523	1.2
61.02917	0.4
67.05507	0.6
69.03444	0.6
69.07056	0.6
69.37242	2.6
70.06594	2.8
71.04994	0.4
72.08160	1.9
73.02906	0.5
74.00636	0.5
74.06077	0.9
79.05482	0.8
81.03422	0.6
81.07063	2.3
84.04500	0.9
84.08138	2.1
85.02916	3.2
85.06544	2.8
86.09705	1.7
87.05585	0.5
88.03986	0.5
89.03921	0.6
91.05500	0.4
97.02881	1.3
97.06511	0.5
98.97565	0.4
99.08092	0.6
107.04946	0.4
109.02899	0.4
109.06519	0.7
109.10193	0.4
110.07176	0.5
113.73335	0.3
115.07559	1.0
116.05004	0.6
116.07079	0.4
120.04469	1.3
120.08101	2.9
120.75033	0.4
123.07207	0.4
127.03896	1.0
127.07568	5.5
129.10255	0.6
131.08165	1.5
136.06216	0.9
136.07556	0.6
138.69283	0.3
144.06677	0.3
145.04977	1.0
145.07585	0.4
145.08568	1.9
147.04401	0.6
148.06151	1.1
158.06076	0.4
159.07697	1.0
162.05511	100.0
163.05902	0.9
165.09186	0.5
166.08659	1.5
185.04172	0.6
186.04553	0.4
208.08255	2.4
262.40649	0.3
275.64105	0.3
285.33621	0.4
288.12909	0.4
292.10355	0.7
324.07056	0.9
324.10272	0.9
324.13266	1.2
336.00131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	15.2
55.05519	12.2
55.20090	1.4
56.96563	1.8
57.03440	21.8
59.01393	1.9
59.05007	3.8
61.02922	4.3
64.19381	1.4
67.05501	4.3
69.03435	6.3
69.07061	7.3
69.53172	6.2
69.53582	4.0
70.06590	1.5
71.01357	6.4
71.04996	42.4
71.08643	4.1
72.08140	2.4
73.02915	7.7
79.05502	6.0
81.07070	14.5
82.07388	1.6
83.01339	3.2
83.04976	3.9
83.08633	9.7
85.02905	3.9
87.00822	2.1
87.04467	14.5
89.02394	9.2
91.05489	3.1
93.07049	9.6
95.01331	2.4
95.04954	2.5
95.08624	9.4
97.02876	2.3
97.06517	5.1
98.20719	1.6
99.04442	2.3
99.08105	4.1
101.02386	23.8
103.03985	2.2
105.07040	5.1
107.04989	1.7
107.08601	3.6
109.10178	2.2
111.00811	3.8
111.08088	1.9
113.02375	2.7
114.09171	1.6
115.03936	37.2
115.11232	1.6
119.08615	4.7
121.10175	4.1
122.99706	1.6
127.03937	2.3
129.01851	23.9
133.02849	4.6
133.04976	4.8
133.10101	2.0
135.08081	4.9
137.09671	3.4
139.10292	1.7
139.11191	11.6
141.01828	3.1
143.03395	43.1
143.10683	2.4
145.10129	2.0
147.11661	1.9
149.05956	3.3
149.09619	2.6
149.13409	1.4
151.07567	2.1
153.05475	3.0
157.01334	37.6
159.10083	1.9
161.04469	23.3
165.09172	2.0
167.10728	4.4
171.02919	7.5
173.04483	5.3
175.02391	2.2
178.05891	1.7
189.03952	100.0
207.05011	29.2
225.11241	1.5
239.09265	2.2
249.08707	1.7
253.10725	36.2
271.11777	48.8
271.14716	2.9
289.12866	17.2
291.09769	2.0
292.10501	1.7
306.12057	3.1
307.09314	1.6
307.13983	2.6
324.06064	1.9
324.13159	6.3
324.21759	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	323.2582
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
51.72191	0.7
53.03947	0.9
53.76164	0.9
55.01865	3.0
55.05267	1.3
55.05512	15.7
57.03430	3.0
57.07082	7.6
59.04984	2.6
65.03936	1.7
67.05508	44.3
69.03420	4.0
69.07072	26.7
70.06605	1.7
70.60823	2.1
71.05000	8.7
73.02942	1.1
73.06556	0.9
79.05494	10.8
81.07062	90.4
83.04984	2.8
83.08620	12.2
85.02892	0.9
85.06550	9.7
91.05484	8.6
93.06487	1.3
93.07051	22.3
95.04982	3.4
95.08612	39.1
97.02900	2.8
97.04045	0.9
97.06564	6.1
97.07117	1.4
97.10170	5.3
98.97599	1.3
99.08101	4.3
101.06028	2.0
105.06391	1.5
105.07038	15.1
107.04949	3.0
107.07883	1.2
107.08606	19.2
109.06536	4.6
109.10162	100.0
110.10508	1.0
111.04441	0.9
111.08083	14.5
111.11722	2.6
113.06022	1.9
114.77006	0.7
117.07018	1.4
119.08589	10.7
121.06536	2.6
121.10152	15.9
123.08073	3.2
123.11713	48.5
124.04031	1.0
125.05996	0.8
125.09649	4.2
127.03905	0.8
127.07550	1.6
127.11201	11.4
129.07024	0.9
131.07011	0.8
131.08562	1.9
131.84564	0.8
133.06522	0.9
133.10141	10.9
135.11699	12.2
137.05965	1.9
137.09641	3.0
137.13255	6.6
139.11168	4.0
141.12773	3.0
143.08560	2.2
145.10141	3.6
146.07260	1.2
147.08087	0.8
147.11685	7.3
149.06021	2.1
149.09596	1.4
149.13287	8.2
151.11177	4.9
153.12735	6.5
155.10675	7.3
155.34077	0.9
157.10089	1.4
159.11720	4.6
161.06018	1.0
161.09586	5.9
161.13287	4.8
163.11189	2.5
163.14792	2.9
164.07074	0.7
165.12758	5.7
167.10683	1.2
167.14362	1.7
169.12199	1.5
171.11697	1.6
173.11740	4.1
173.13283	3.2
175.14880	3.3
177.12712	2.3
177.16475	1.1
179.10652	1.3
179.14302	2.0
180.06575	6.1
181.12231	2.8
183.13817	0.9
187.13300	4.0
187.14897	2.0
189.09073	2.1
189.12843	1.1
189.16440	1.2
191.14305	1.4
193.15826	1.0
199.14896	1.7
201.16341	1.5
203.08527	1.4
203.17993	1.5
205.15892	1.2
207.10161	0.8
207.17380	1.3
213.16440	1.5
217.19684	1.1
219.17503	1.2
225.18562	1.1
229.19620	1.1
231.08182	0.9
231.17487	1.5
235.07620	1.2
235.17181	0.8
235.20779	0.8
243.21170	1.1
248.08328	1.8
249.05379	0.8
249.09174	0.9
263.06943	1.6
263.10773	1.6
269.22733	1.6
281.07944	0.7
287.13864	1.1
287.23694	6.2
291.10025	5.0
293.08026	1.2
293.24826	2.6
305.11697	2.9
305.24774	34.1
323.09152	4.8
323.12808	7.4
323.20493	2.4
323.25842	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.108
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.52858	0.2
53.03922	0.2
55.05489	0.2
56.05029	0.3
56.48499	0.2
57.03432	0.4
60.04539	1.0
61.02931	0.3
67.05487	0.3
68.54116	0.2
69.03429	1.1
69.07066	0.4
70.06592	1.5
71.08978	0.4
72.08147	0.7
74.06068	0.7
79.05489	0.4
81.03425	0.5
81.07058	0.8
84.04500	0.6
84.08134	0.9
85.02910	2.5
85.06547	0.6
86.06052	0.3
86.09703	0.4
89.03965	0.3
91.03898	0.2
93.07035	0.4
97.02917	0.9
99.04442	0.3
99.08060	0.2
99.78014	0.2
99.78723	0.2
106.06573	0.5
109.02908	0.3
110.07205	0.3
116.04987	1.4
120.08109	3.0
121.06425	0.2
127.03905	0.9
127.07589	1.0
129.10216	0.3
131.08170	1.7
132.04451	0.2
134.06039	0.4
135.04355	0.2
136.07574	0.5
142.08542	0.2
144.08083	0.2
145.04996	0.4
145.08627	0.9
146.16534	0.2
149.05862	0.2
149.09735	0.2
159.07652	1.3
162.05516	100.0
163.03932	0.7
163.05872	0.7
166.08687	1.5
174.53445	0.2
177.10263	0.2
191.99782	0.2
199.07259	0.2
200.55624	0.2
204.08768	0.2
207.11372	0.4
225.78978	0.2
235.10883	0.2
260.07791	0.2
270.13184	0.3
277.08325	0.2
292.10352	0.2
306.12119	0.3
306.15231	0.5
324.10791	1.0
337.89700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	18,19-Dihydroxynerylgeraniol
Peak:m/z	Relative Intensity
53.03930	1.3
55.01862	1.2
55.05513	11.7
57.03441	3.9
57.07082	5.2
60.06119	0.8
67.05511	35.4
69.03436	2.6
69.06689	1.0
69.07072	18.7
71.05000	5.2
71.08636	1.1
78.66805	0.6
79.05500	7.3
81.03423	1.0
81.07062	50.6
83.04970	2.4
83.08622	9.6
84.04507	0.8
85.06555	5.7
85.34698	0.8
91.05480	4.7
93.07056	10.2
95.04969	3.0
95.08614	25.7
97.02869	1.4
97.06538	3.3
97.10180	4.8
99.08115	2.5
101.06039	2.1
105.07043	9.2
107.08600	13.2
109.06522	3.2
109.10163	100.0
111.08070	3.9
111.11724	0.9
119.08605	6.1
121.06504	0.9
121.10168	8.6
123.08051	2.3
123.11716	19.4
125.09634	2.3
127.11201	11.7
133.10133	4.3
135.08107	1.1
135.11697	5.8
137.05957	0.8
137.09653	1.9
137.13264	3.4
139.11211	3.2
143.08647	1.1
144.09302	0.7
145.10143	2.7
147.11684	5.4
149.06003	1.5
149.09673	1.5
149.13242	4.2
151.11180	1.4
151.14845	5.1
153.09113	0.9
153.12807	1.8
155.10678	10.0
157.10159	0.9
159.11705	2.8
161.09644	1.1
161.13271	4.1
163.11160	1.8
163.14847	2.0
165.12772	2.7
167.14320	4.0
169.12325	0.8
171.11707	0.7
173.11731	1.7
173.13284	1.9
175.14819	1.8
177.12717	1.7
177.16446	1.0
179.14319	3.2
183.13745	0.8
187.14862	1.0
189.09016	1.1
195.13864	3.9
201.16359	0.9
203.08578	1.2
207.17570	1.1
215.18115	0.9
219.17494	1.3
220.08769	0.8
231.07950	1.4
235.16982	0.8
248.08336	1.2
249.18663	0.8
259.07474	1.0
263.10767	1.7
269.22601	1.2
287.23801	5.0
288.12265	0.7
291.10068	2.3
292.10974	1.2
293.24814	1.4
305.11707	1.8
305.24780	32.4
307.09586	0.7
308.10516	0.8
323.09262	1.3
323.12738	7.5
323.25851	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	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.02365	0.5
53.03948	0.6
55.01867	0.7
55.05516	11.2
57.03439	4.0
57.07079	5.5
59.04999	0.9
65.03941	1.3
67.05509	44.2
69.03436	2.5
69.07071	20.7
70.06623	0.5
70.42359	1.0
70.42748	0.9
71.04993	5.6
71.08624	1.3
73.06563	0.9
75.76746	0.5
79.05492	8.4
79.05925	0.9
81.07059	52.6
81.77220	0.6
83.04991	2.0
83.08627	11.9
85.06542	4.4
91.05485	8.3
93.07049	13.2
95.04990	2.6
95.08611	29.7
97.02879	0.7
97.06538	3.9
97.10164	4.2
99.08110	3.3
101.06011	2.4
105.07034	9.4
107.05024	0.6
107.08593	13.5
109.06540	2.6
109.10162	100.0
111.08080	4.2
111.11716	1.6
113.09642	0.7
117.07011	1.1
119.08583	7.5
121.06492	0.8
121.10150	9.0
123.08084	2.6
123.11712	21.6
125.09630	3.9
127.11196	13.5
127.12139	0.7
131.08546	2.0
133.10162	4.9
135.08055	1.2
135.11705	5.9
137.05980	0.7
137.09631	2.4
137.13245	4.2
139.07552	0.6
139.11218	3.6
141.12698	0.7
143.08571	0.9
145.10139	3.1
147.11671	3.7
149.05997	0.9
149.09634	1.1
149.13272	6.3
151.11195	1.8
151.14809	4.2
153.09128	1.0
153.12755	2.2
155.10681	9.9
157.10255	0.5
159.11665	2.6
161.05992	0.5
161.09595	0.8
161.13269	4.1
162.06851	0.5
163.11189	1.5
163.14803	1.7
165.12784	2.3
167.14355	2.9
169.12244	1.1
171.11664	1.1
173.11774	1.9
173.13304	1.5
175.14900	2.3
177.12791	2.4
177.16322	0.8
178.13550	0.6
179.14323	3.8
181.12213	1.0
187.13303	0.9
187.14865	1.3
189.12735	0.5
189.16431	1.4
191.14310	0.6
195.13805	4.3
195.50594	0.5
201.16414	1.2
203.08531	0.8
205.15895	1.0
207.17462	1.2
209.15430	0.6
210.75201	0.6
215.18013	0.6
219.17473	1.0
227.17996	0.5
229.19547	0.5
231.08057	1.0
237.18498	0.6
238.84396	0.5
239.06825	0.6
243.21228	0.7
248.08363	1.1
249.18262	0.7
263.10617	0.8
269.22720	0.6
275.23654	0.7
276.07996	0.5
277.25244	0.9
287.13269	0.5
287.23605	3.8
291.10040	1.5
293.24835	1.6
299.27222	0.5
305.11679	1.3
305.24750	36.5
323.09143	1.1
323.12756	3.0
323.25815	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46267	1.0
52.63121	1.2
55.01875	5.9
55.05501	4.8
57.03442	25.4
57.07075	2.1
58.17723	1.2
62.36671	1.2
65.03941	1.6
67.05511	24.8
69.07065	3.7
70.04911	1.3
70.56738	3.9
71.04986	2.6
76.54648	1.1
79.05489	11.3
79.13856	1.2
81.03432	1.6
81.07059	14.0
83.04971	3.1
83.08605	3.0
85.06550	25.6
91.05483	9.4
93.07042	11.8
95.04377	2.2
95.04972	39.5
95.08625	6.5
97.06528	2.7
97.10178	1.7
105.07030	7.0
107.04926	3.0
107.08591	8.2
109.06528	29.2
109.10153	2.9
111.04445	3.9
111.08100	2.3
112.87773	1.1
113.06013	100.0
115.05463	1.4
117.07014	6.1
118.90524	1.2
119.08566	7.1
121.06506	3.8
121.10121	3.1
123.08071	2.8
125.09592	1.6
129.07019	2.8
131.08565	7.7
133.06534	1.4
133.10150	3.8
135.08064	21.1
135.11681	2.7
137.05978	1.6
143.08549	3.3
145.10127	6.2
147.08041	4.8
147.11586	1.4
149.06003	3.5
149.09598	3.3
149.13292	1.4
151.11192	1.6
153.12779	2.3
157.10159	3.2
159.08046	1.4
159.11676	3.3
161.09605	3.6
163.11197	3.6
165.05498	1.8
165.12759	1.7
171.11729	2.5
173.13246	2.2
175.11200	2.2
177.12675	2.1
179.14330	1.1
181.12233	2.0
183.11789	1.4
199.14903	1.7
201.12596	1.5
207.63654	1.2
217.15857	7.3
219.13779	1.4
227.12723	1.7
231.08011	1.9
248.08366	1.7
255.17418	2.6
263.10730	2.5
273.18518	14.1
277.08777	1.4
291.10443	2.7
291.19550	43.2
305.11688	5.9
305.21152	5.4
308.10141	1.4
323.12939	9.0
323.23428	1.9
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	Unknow
Peak:m/z	Relative Intensity
50.45258	0.8
53.03918	1.0
55.01867	4.1
55.05515	20.0
55.24248	1.1
57.03421	1.6
59.05008	0.9
62.06095	34.2
63.06428	5.1
63.92744	0.9
67.05509	17.1
68.05847	1.1
69.03442	6.1
69.06731	1.3
69.07073	14.3
71.04997	1.8
71.52597	1.0
79.05492	16.7
80.05838	1.2
81.03421	2.3
81.07061	18.1
82.07388	1.9
83.05000	1.8
83.08628	10.4
85.62015	1.0
91.05480	10.6
93.07046	15.8
94.07402	1.1
95.04975	5.0
95.08607	10.0
96.08960	2.1
97.02892	2.3
97.06545	2.9
97.10181	15.7
105.07049	9.2
107.04977	3.3
107.08593	13.5
108.08920	1.2
109.06518	1.8
109.10173	4.6
109.13366	0.9
111.08054	1.3
117.07024	4.0
119.04930	1.6
119.08604	6.3
121.06507	3.6
121.10146	4.2
123.08097	4.0
125.09633	13.6
131.08553	5.0
133.06488	1.9
133.10147	3.7
135.08051	3.0
135.11708	2.4
137.05968	1.4
137.09596	2.3
143.08539	2.1
145.06500	1.8
145.10133	4.9
147.08043	3.9
147.11691	2.6
149.05989	5.5
149.09630	1.3
149.13242	1.4
153.09134	2.4
157.10185	2.1
157.12199	1.9
159.11655	1.1
161.09627	1.3
163.11232	1.2
165.05508	1.8
165.09129	1.7
169.10149	1.0
171.11728	1.0
175.11227	1.5
177.05470	1.6
177.12787	1.0
185.13293	1.1
189.11250	1.2
197.13361	1.1
203.08589	2.9
203.12798	6.8
205.12256	1.5
223.13293	13.4
231.08141	2.6
237.14824	2.7
243.88707	1.1
245.09584	2.2
248.08397	3.0
255.17442	1.9
263.10696	2.9
269.07968	1.4
273.18503	8.3
274.09924	1.7
276.07767	2.1
277.08609	1.0
290.09387	1.3
291.10324	7.9
291.19553	100.0
292.10938	1.3
292.20084	1.3
295.13370	2.0
305.11798	9.9
305.21127	18.1
308.10464	1.1
323.12793	14.1
323.22253	4.0
323.27753	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03949	1.0
54.37526	0.4
55.01872	1.0
55.05513	11.7
57.03439	3.1
57.07081	4.5
65.03933	1.0
66.16988	0.6
67.05508	38.7
69.03431	3.1
69.07074	17.6
70.06607	0.8
70.39393	1.8
71.05007	5.8
71.08638	1.2
77.03909	0.7
79.05494	6.0
81.03439	1.1
81.07061	53.7
83.04967	1.9
83.08624	10.4
85.06565	5.1
91.05508	3.6
93.07053	11.6
95.04971	2.6
95.08613	29.8
97.02888	1.2
97.06547	3.2
97.10174	4.2
99.08092	3.3
101.06017	1.8
101.78606	0.6
103.78899	0.6
105.07043	7.7
106.69804	0.5
107.08603	13.5
109.06530	2.3
109.10163	100.0
111.08070	4.0
111.11708	1.2
113.09615	1.1
117.07028	1.0
119.08596	6.6
121.06508	1.5
121.10151	9.9
123.08077	1.6
123.11713	18.1
125.09652	3.4
125.13311	0.7
127.07663	0.9
127.11204	11.3
129.06979	0.6
131.08539	1.4
133.10150	4.2
135.08089	1.0
135.11716	5.0
137.09619	2.5
137.13283	3.7
139.11211	3.1
141.12778	0.7
143.08635	1.0
145.10138	2.4
147.11699	4.7
149.05952	0.8
149.09619	0.9
149.13272	5.6
151.11211	1.8
151.14861	4.4
153.09137	1.2
153.12756	1.4
155.10698	9.3
157.10152	1.2
159.11725	2.5
161.06017	0.6
161.13274	4.6
163.11162	1.3
163.14825	1.9
165.12750	2.9
167.07042	0.6
167.14290	4.0
169.12279	0.8
171.11740	0.8
173.11755	2.4
173.13312	1.9
175.14861	1.8
177.12773	1.8
179.14308	3.9
181.12181	0.6
185.13341	0.7
187.14877	1.1
189.16365	1.0
191.14481	0.7
195.13824	3.8
197.15315	0.6
199.14819	0.7
201.16438	0.7
203.08560	0.9
203.18024	0.8
205.15964	1.6
207.17410	1.0
213.16342	0.8
219.17392	1.3
235.17093	0.7
240.75272	0.6
248.08354	0.8
263.10703	1.0
265.89151	0.6
269.22699	0.9
277.25198	0.7
287.23688	3.1
291.10205	1.9
293.24765	1.7
297.82480	0.6
304.06116	0.6
305.24765	30.1
306.13251	1.1
308.10437	1.0
323.05484	0.6
323.09155	1.2
323.12769	5.5
323.25836	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	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32668	1.4
50.82367	1.3
53.03934	3.9
55.01870	3.7
55.05518	14.8
57.03444	10.5
57.07069	4.3
59.06113	1.5
67.05138	2.4
67.05504	33.4
69.07062	17.5
69.28114	4.2
69.28522	8.1
71.04984	7.2
75.04499	1.8
77.03938	2.3
79.05497	59.4
81.03439	3.0
81.06594	2.8
81.07060	48.7
83.04994	2.4
83.08620	8.7
85.06561	7.0
86.12361	1.6
91.04915	2.8
91.05487	68.7
93.07048	75.2
95.04980	5.8
95.08608	31.4
96.54144	1.4
97.02905	1.5
97.06536	6.1
97.10188	1.9
98.20802	2.7
98.97585	2.1
99.08093	4.3
105.04548	1.9
105.07036	78.2
107.04939	4.6
107.08600	45.4
109.06515	3.9
109.10164	15.0
111.08122	3.5
113.09696	1.4
115.05408	2.2
117.07017	15.7
119.08585	73.7
121.06512	6.2
121.10152	37.5
122.06090	3.4
123.08036	1.7
123.11736	4.1
128.06248	2.3
129.05479	3.7
129.07013	15.1
130.07715	1.4
131.08583	29.1
133.06468	1.8
133.10141	100.0
135.08026	7.4
135.11700	32.5
137.05998	2.3
137.09593	3.9
142.07785	3.4
143.08563	15.5
145.06496	1.9
145.10135	30.0
147.08067	5.1
147.11693	84.0
149.05975	5.6
149.09631	5.7
149.13271	5.7
151.11169	3.5
156.09369	2.1
157.10126	24.3
159.11699	12.8
161.09605	6.3
161.13281	9.0
163.11176	5.1
163.14848	2.1
165.05479	1.9
167.10748	1.4
171.11710	32.2
173.13255	6.9
175.11205	7.0
175.14833	4.0
177.05537	2.4
185.13306	7.7
187.14835	11.9
189.12775	6.2
189.16396	36.2
193.12225	2.3
203.08565	4.4
203.14310	5.9
203.17982	27.7
213.16389	75.9
231.08072	3.6
231.17455	96.7
247.07411	1.9
248.08357	5.0
249.09154	1.7
249.18507	15.6
253.37991	1.4
263.10669	3.8
274.10101	1.7
276.07813	2.2
291.10223	10.1
292.10776	2.0
293.11624	1.6
295.13211	3.1
305.11768	11.2
305.17734	3.3
305.21118	12.4
305.24387	2.6
307.09329	2.0
308.10333	2.6
323.09351	1.9
323.12845	23.4
323.22202	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77253	1.2
53.03950	3.4
55.05519	14.8
56.88829	1.3
57.03450	7.7
57.07067	5.1
59.04990	1.7
67.05507	37.0
69.03424	3.2
69.07069	13.3
70.06595	1.8
70.23851	1.3
70.42750	5.2
71.04987	4.4
79.05499	52.3
81.03425	2.9
81.07063	39.9
83.04996	4.0
83.08620	6.4
83.49363	1.5
85.06540	8.9
88.44658	1.4
91.04915	3.1
91.05488	64.0
93.07051	61.2
95.04969	6.1
95.08619	34.1
97.06525	5.2
97.10175	3.3
97.14969	1.4
99.08099	4.6
103.05486	1.5
105.07040	68.3
107.04914	1.6
107.08601	39.4
109.06513	4.3
109.10155	18.2
111.08096	3.2
117.07022	13.9
119.08592	65.2
121.06507	4.5
121.10147	35.8
123.08087	1.7
123.11727	4.8
125.09683	2.8
128.06256	3.1
129.05486	4.4
129.07022	12.5
131.08582	23.0
133.06602	2.7
133.10141	86.3
135.08076	5.2
135.11693	30.3
137.05930	1.5
142.07774	2.2
143.08554	15.7
145.06589	2.0
145.10132	26.9
147.08052	5.1
147.10527	3.8
147.11699	76.7
149.05986	5.5
149.09615	7.7
149.13264	7.1
151.11208	2.7
155.08662	1.5
156.09370	2.2
157.10144	23.8
159.11697	10.5
161.09628	6.6
161.13254	9.6
163.11214	4.1
165.12810	1.6
169.10144	3.0
171.11699	32.5
173.13275	5.7
175.11214	5.2
175.14832	2.5
177.05367	2.3
184.12383	1.7
185.13295	6.7
187.14861	7.9
189.12770	4.8
189.16399	32.6
193.12270	3.0
201.16420	2.7
203.08588	4.1
203.14308	6.4
203.17987	30.0
207.13773	2.2
213.16405	72.8
231.08217	2.5
231.17462	100.0
241.08621	2.3
248.08400	3.4
249.18527	16.0
259.07578	2.0
263.10684	6.1
274.09860	2.5
276.07938	2.5
277.08624	1.9
291.10126	6.9
305.11859	11.6
305.17801	3.6
305.21130	11.0
323.12708	18.4
323.22220	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78998	3.2
67.61340	3.0
68.35003	3.9
70.24162	9.4
70.24550	6.6
71.83804	3.6
93.57773	3.0
150.44368	3.5
150.56378	3.0
155.01967	3.3
161.03026	4.8
248.89604	3.6
286.32629	3.1
323.07416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01867	2.2
55.05515	7.8
57.03440	6.0
59.04998	2.0
65.03939	3.4
67.05509	28.4
69.03452	1.0
69.07075	21.0
69.23348	5.8
71.04996	7.0
73.06556	5.4
79.05081	1.0
79.05504	15.4
79.64722	0.8
81.07060	16.7
83.04990	4.0
83.08616	2.2
85.02927	0.9
85.06547	6.2
86.09665	0.9
88.41022	0.8
91.05485	14.3
93.07052	16.0
95.04981	13.9
95.08611	11.8
95.24245	0.7
97.02905	1.0
97.06531	2.2
97.10177	3.2
98.21488	1.2
99.08100	100.0
105.07040	11.6
107.04969	4.6
107.08592	12.2
109.06522	18.0
109.10162	4.5
111.08079	2.5
111.11845	0.8
113.05988	2.5
117.07030	4.3
119.04946	0.9
119.08588	9.1
119.55874	0.9
121.06525	4.3
121.10162	6.6
123.08036	4.1
123.11710	3.8
125.09592	1.2
127.07565	6.1
129.07027	3.8
131.08582	9.0
133.06509	2.5
133.10121	8.0
135.08055	12.5
135.11726	5.7
137.09610	2.0
137.13269	1.2
139.11241	1.0
141.09084	2.2
143.08594	4.6
145.10129	8.9
147.08025	4.4
147.11699	3.2
149.06006	3.8
149.09671	4.9
149.13289	1.5
151.11201	2.0
157.10143	4.2
159.08076	2.0
159.10292	0.8
159.11703	4.4
161.09665	5.8
161.13297	2.6
163.11229	3.3
165.05458	1.2
167.08568	1.0
171.11746	2.6
173.13289	1.9
175.11163	2.6
175.14738	1.0
177.12744	1.5
181.10060	1.2
183.11731	2.0
185.13301	2.6
187.11234	0.9
189.16586	1.1
193.12228	0.9
195.11835	1.0
195.13763	0.8
199.14893	2.6
201.12784	1.1
203.08705	1.2
211.14738	1.1
213.12852	0.8
213.16466	1.3
217.15871	8.1
219.13817	1.2
226.06078	1.3
227.17981	1.7
231.08008	2.4
231.13745	1.0
231.17389	1.2
235.16977	1.2
245.09715	1.0
245.15405	1.1
245.19000	2.0
247.07549	1.1
248.08395	2.2
249.18472	1.5
254.53455	0.8
255.17455	3.2
259.07498	1.7
262.09912	1.3
263.10690	2.8
265.08710	0.9
273.18509	16.8
275.19946	1.4
276.07904	1.7
277.08804	1.2
282.01160	1.0
291.10147	6.7
291.19528	18.7
295.13129	2.3
305.11621	6.9
305.21103	7.6
305.24432	1.4
308.10800	1.3
323.09128	0.7
323.12732	13.7
323.18533	1.3
323.22186	2.5
323.25717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.52819	0.5
55.05519	4.0
57.07091	1.5
60.04537	1.2
62.06097	100.0
67.05515	15.4
69.07069	3.0
71.11099	1.4
73.66357	0.6
79.05502	10.8
81.07066	17.0
83.08633	1.4
84.75404	0.6
85.06585	0.7
88.65442	0.6
91.05492	5.0
93.07056	13.9
95.04987	1.2
95.08620	13.6
97.06535	1.0
105.07034	3.4
107.08607	8.9
109.10161	5.3
117.07042	1.0
119.08582	3.0
121.10153	5.6
123.11740	1.5
131.08586	3.0
133.10173	1.9
134.22826	0.6
135.11696	4.2
137.13301	1.1
140.03751	4.3
144.10246	1.0
145.10165	2.4
147.11690	1.0
149.09639	1.1
149.13293	2.4
151.14897	0.8
158.11781	0.8
159.11729	1.9
161.13269	1.5
163.11316	0.8
163.14839	2.3
172.13370	1.6
173.13318	1.4
177.16417	3.1
185.20876	0.6
187.14789	1.0
189.12878	0.7
200.63078	0.6
228.19807	0.8
233.22548	1.1
238.17992	0.9
240.19577	0.7
243.21153	4.9
252.19850	0.7
261.22107	6.3
304.26343	2.6
305.24847	3.2
322.27460	25.5
323.12723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.37714	0.3
53.03941	0.5
55.01881	0.4
55.05517	3.5
56.73328	0.3
57.07069	1.0
60.04531	0.9
62.06093	100.0
65.03941	0.5
67.05508	14.0
69.03413	0.3
69.07074	3.8
69.67691	0.7
69.68103	1.4
70.02927	0.3
79.05499	9.2
81.07063	13.3
83.04992	0.6
83.08627	1.7
91.05491	4.0
93.07048	11.0
95.04942	0.7
95.08613	12.1
97.06544	0.6
97.10174	0.4
98.06042	0.6
105.07020	3.0
107.08598	6.6
109.10165	4.1
117.07069	1.2
119.08585	2.0
121.10144	5.3
123.11715	2.0
130.08675	0.4
131.08592	2.0
133.10133	1.9
135.11719	3.1
137.13290	0.6
144.10324	0.4
145.10117	1.5
147.11714	1.2
149.13257	2.4
158.77992	0.4
159.11757	1.3
161.13274	1.4
163.14827	1.1
173.13271	0.9
177.16403	1.1
186.15016	0.6
187.14806	0.6
198.14932	0.4
200.16441	0.8
214.18059	0.9
233.22849	0.4
243.21100	1.5
261.22171	3.5
291.19556	1.7
304.26379	2.0
305.21555	0.5
305.24661	2.3
322.27420	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	323.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
56.96571	59.4
57.03444	6.0
61.02932	13.8
66.93066	0.9
69.03439	4.6
69.45665	3.2
69.46086	3.6
70.06585	3.2
70.98125	24.2
71.04974	1.0
71.95270	6.1
72.08179	1.5
72.96038	2.1
73.02917	5.9
74.97610	5.2
81.03416	1.2
82.99834	1.0
84.08150	3.8
84.91174	2.0
84.96033	3.7
84.99621	2.4
85.02914	9.8
86.09716	1.9
86.97600	5.6
88.99169	9.1
97.02881	4.7
98.97592	100.0
101.00900	9.3
101.02360	1.5
102.00996	2.3
103.00652	16.8
103.01311	2.3
110.97560	6.3
112.99166	3.1
113.00888	2.4
114.97069	9.8
115.00654	7.9
115.02420	3.1
115.03928	2.2
116.07156	0.9
116.98635	43.4
117.02214	6.5
119.01929	12.3
119.03704	0.9
120.02029	2.8
121.01677	28.7
122.07167	3.5
124.53753	1.0
124.95499	10.8
124.99129	2.0
126.97047	2.8
127.00697	1.3
127.03930	4.0
128.98616	12.1
131.00169	3.1
131.01910	4.5
132.98094	17.3
133.01669	9.1
133.02620	1.4
133.03426	6.9
134.03540	1.0
134.99673	13.5
135.03201	11.3
137.02910	1.5
139.02669	4.5
139.04265	1.2
140.00211	1.5
140.98616	2.5
141.01291	2.6
142.96530	7.7
143.00160	3.4
143.01889	7.8
144.04849	1.5
144.98125	4.6
144.99811	1.6
145.01680	7.2
145.03442	2.9
145.05003	1.6
146.99675	13.5
147.00905	1.1
147.01341	1.5
147.03214	4.0
147.04987	2.2
149.01155	2.2
149.02979	1.3
149.04790	2.7
150.01830	2.2
150.99141	18.8
151.02698	2.7
152.94984	4.9
153.04210	1.6
155.01926	3.9
156.98096	4.2
157.01535	1.9
157.03499	2.5
158.99670	8.7
159.03241	1.8
160.97586	2.9
161.01176	2.6
161.02982	8.6
161.04744	2.2
162.99162	3.2
163.02727	8.2
165.00685	5.7
167.01917	1.8
169.00151	4.2
170.96008	16.4
170.99542	6.9
171.01367	1.2
172.97638	2.4
173.01222	4.0
173.03006	5.4
174.99165	18.9
175.02763	5.6
175.04456	1.0
177.00723	8.6
177.02315	1.8
177.04240	2.1
179.02148	1.1
179.05901	1.3
180.07669	2.5
180.98364	1.2
184.97586	9.5
185.01047	0.9
185.03008	3.2
187.00916	3.2
187.04510	1.2
188.97092	30.4
189.00659	22.0
189.02412	2.0
190.98631	2.5
191.02260	8.6
191.04030	4.7
193.00221	34.7
193.03835	4.1
196.01288	1.5
197.02982	2.6
198.99130	3.5
201.00745	2.6
202.98669	17.8
203.02211	4.5
203.04054	3.9
205.00215	2.2
205.01936	2.2
205.03688	1.4
206.98167	12.0
207.01755	8.5
209.03276	1.3
211.01341	7.7
211.54770	1.1
212.97076	7.1
213.06111	1.2
215.00453	3.0
217.00162	17.8
218.03641	1.1
219.01781	7.1
219.03473	1.9
220.02278	1.6
220.06860	5.9
220.97566	1.4
220.99722	28.6
221.03046	4.6
221.05179	2.0
223.04834	3.1
224.99152	1.1
226.02419	4.5
227.04033	1.8
229.01958	1.3
230.98167	27.7
231.01579	6.3
232.99799	2.4
233.03293	2.7
233.05202	1.6
235.00998	7.1
235.03143	2.3
235.04675	4.9
237.02869	4.9
239.00772	9.3
244.99698	21.5
247.02953	1.2
248.99156	6.7
249.02840	20.3
251.04443	2.4
253.49071	1.1
253.99585	1.2
257.01578	1.5
257.06030	1.8
263.00745	44.7
263.08356	1.6
267.03903	3.3
281.01825	27.1
281.05450	8.9
281.08643	2.1
284.02933	1.3
291.03964	7.4
299.02972	8.3
304.03387	1.1
305.01590	5.1
323.06668	18.2
323.10925	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	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03945	5.9
55.01879	13.7
55.05268	2.3
55.05515	26.7
57.03183	2.5
57.03438	19.6
57.07066	2.6
59.05011	1.4
65.03956	6.9
65.04246	1.3
67.05140	2.1
67.05507	43.3
69.03432	5.0
69.07071	55.6
69.54929	9.8
70.06580	1.8
71.04994	4.5
73.06567	1.9
79.05497	86.5
81.03435	7.1
81.07060	100.0
83.04993	9.0
83.05400	1.6
83.08629	15.2
85.06525	3.4
91.05485	66.9
93.03422	2.7
93.07046	62.4
95.04972	17.1
95.08611	39.7
97.02901	15.7
97.06539	21.9
97.10181	4.1
99.04469	2.4
99.08071	2.5
103.03946	3.5
103.05426	2.5
105.04543	2.3
105.07034	52.1
107.04957	21.3
107.08599	76.7
109.06523	36.2
109.10165	21.9
111.04433	1.8
111.08102	3.6
115.05454	3.5
116.06235	2.6
117.07025	25.3
119.03418	4.5
119.06090	2.5
119.08582	34.4
121.02885	1.9
121.06505	7.8
121.10146	24.0
122.49498	1.4
123.08096	8.4
123.11712	8.6
125.06016	3.5
125.09624	3.1
127.03992	1.5
127.07582	2.1
128.06229	1.6
129.05518	2.4
129.07025	10.8
130.07802	2.1
131.08574	41.4
131.57349	1.5
132.95863	1.7
133.06502	4.8
133.10139	38.9
135.08055	21.9
135.11728	12.5
137.09610	11.4
137.13222	2.5
140.04712	1.7
141.06990	10.8
142.07748	1.6
143.07051	8.7
143.08568	10.5
144.05728	3.0
145.06485	4.4
145.10135	69.0
147.04486	1.8
147.08078	3.3
147.11690	12.9
149.02316	2.4
149.09628	36.9
149.13254	2.3
151.07562	4.3
151.11232	7.1
153.06973	1.5
153.09045	2.1
154.06296	1.9
155.08594	6.6
157.06459	1.9
157.10123	6.9
159.08049	10.3
159.11708	15.8
161.08372	2.3
161.09596	7.7
161.13231	4.6
163.11203	8.0
165.09113	11.8
165.12839	1.8
167.03429	3.6
169.06470	3.6
169.08688	4.7
169.10135	8.8
171.10133	2.3
171.11670	3.3
173.09636	6.5
173.13344	7.1
174.96873	1.8
175.11208	3.9
177.09138	4.9
179.10739	4.1
181.04999	2.2
183.10188	4.0
183.11736	6.5
185.11766	2.6
185.13321	5.2
187.07570	10.2
187.11203	5.8
187.14832	12.4
191.10703	2.4
197.06050	2.7
197.11635	1.5
199.07515	1.7
201.12704	3.1
201.16391	22.6
203.18001	5.0
207.06555	2.0
211.11334	1.5
211.14833	16.7
215.07069	6.0
219.06506	1.9
219.10172	4.3
219.13792	1.9
219.17500	5.6
223.13359	3.9
229.08542	7.0
229.15886	30.1
233.08011	2.1
247.09686	5.4
247.16966	34.4
257.08221	4.2
257.11795	2.4
265.18039	1.7
275.09155	19.7
285.22238	2.7
303.08768	2.8
303.12366	2.0
303.19537	6.9
303.23264	5.2
321.09845	14.9
321.20639	85.9
321.24118	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05304	0.6
55.05515	6.6
57.03426	1.1
57.07068	1.9
60.76433	0.7
67.05513	4.8
69.03455	0.8
69.07073	4.8
69.22485	6.4
71.04973	0.9
71.08647	1.1
79.05492	4.1
81.07054	7.6
83.05001	1.7
83.08636	3.2
85.06529	2.0
91.05489	2.6
93.07051	6.2
95.04963	0.9
95.08617	8.1
97.06535	1.4
97.10155	1.8
99.08123	1.0
105.07028	3.5
107.04980	1.5
107.08585	4.0
109.06529	13.3
109.10186	3.6
111.04391	0.6
111.08104	2.2
114.63393	0.7
117.07037	1.0
119.08577	2.9
121.06516	0.8
121.10173	3.8
122.07337	1.2
123.08080	42.5
123.11713	0.9
131.08572	1.6
133.10143	2.7
135.08035	5.0
135.11700	2.1
137.09633	2.8
139.11131	1.0
145.10117	1.1
147.11723	1.9
149.09637	1.6
149.13271	1.2
151.11154	1.0
157.10080	0.7
159.11763	1.4
161.06155	0.6
161.13277	0.8
163.11221	1.2
163.14799	0.7
179.14330	44.9
193.15862	0.8
205.15858	1.2
237.02861	0.9
247.16946	0.9
261.22137	0.9
265.18027	10.3
289.17813	1.2
303.23166	3.8
321.24261	100.0
322.24506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	3.9
56.97757	0.2
57.03428	0.5
61.02917	0.7
69.03414	0.4
70.88763	0.5
71.95251	0.9
73.02927	0.6
82.99861	0.3
88.88031	0.2
92.55753	0.2
97.02892	0.6
98.97589	17.3
99.97941	0.4
101.00890	1.2
116.98628	7.0
118.06151	0.2
119.01933	1.8
119.78455	0.2
133.88486	0.2
134.99690	1.9
137.02940	0.3
140.98846	0.6
142.03494	1.2
143.01889	0.4
155.01863	0.4
158.99893	2.3
160.04535	0.4
173.02963	0.4
176.97491	0.5
177.00963	8.9
181.05000	0.3
182.99832	2.7
194.91254	0.3
196.90953	0.5
201.00937	10.6
202.93520	0.2
212.92252	0.7
214.92030	1.0
214.95590	0.4
216.98700	0.9
218.98511	3.1
219.02016	100.0
220.02182	2.6
220.94411	0.3
221.02396	0.6
225.94083	0.5
230.93243	0.4
232.92984	0.3
234.94455	1.1
234.99731	1.1
235.44565	0.9
235.94418	0.7
236.92285	0.2
236.99548	2.8
237.44759	0.3
238.92128	0.5
238.95605	3.0
242.03629	4.9
243.95160	0.4
244.94977	0.3
246.94896	0.5
247.44954	0.3
253.43797	0.4
253.93552	0.5
254.93404	0.8
255.95152	0.7
256.93130	2.3
256.96661	7.8
257.96838	0.5
258.99698	0.4
259.90945	0.3
261.04785	0.3
261.97244	0.4
262.95621	0.4
271.91061	0.3
272.94266	1.2
273.94736	0.4
274.94131	3.7
274.97668	1.2
275.44714	0.4
278.29874	0.3
279.98160	1.3
280.96555	2.0
283.91214	0.2
286.92603	0.7
287.42999	0.5
287.91858	0.3
290.95065	0.3
292.95102	0.9
295.59274	0.4
295.92627	1.7
296.42630	0.5
297.26083	0.3
298.97693	40.2
299.18423	0.3
299.97769	0.7
301.92789	0.3
302.57419	0.4
302.90433	0.3
303.26288	0.7
303.59656	0.6
303.98325	0.4
304.92514	0.6
305.42316	0.4
307.93103	0.4
309.26849	0.3
316.95511	1.7
319.43903	0.4
319.93793	0.3
321.99316	5.3
325.92285	0.3
334.92688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14715	0.5
62.20739	0.5
62.75251	0.5
69.68859	1.4
69.69276	2.1
71.43332	0.6
79.05508	0.7
81.03440	0.6
81.07084	1.0
89.28967	0.5
91.05485	3.5
93.07043	0.7
95.08598	0.7
97.02890	0.6
98.00711	0.6
105.07024	0.8
107.08640	0.7
109.10198	0.8
115.05479	1.9
116.25805	0.5
117.05762	1.1
117.07027	3.6
118.06554	52.2
119.07343	2.9
119.08597	0.8
129.84671	0.5
131.08571	1.2
132.08070	0.9
133.10094	0.5
134.09665	100.0
135.08165	0.6
135.09883	0.7
135.25276	0.5
140.02780	0.5
142.06523	3.7
143.07309	4.2
144.04500	1.2
144.08095	22.0
146.06020	98.9
147.11664	0.6
155.06079	1.1
160.07556	1.1
170.06024	7.0
174.09151	0.7
183.11678	0.8
188.07080	98.1
189.07292	0.9
192.10257	2.6
260.04611	0.6
321.07544	1.6
321.16010	17.0
321.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52974	0.4
55.05496	0.6
59.73056	0.4
60.03547	0.4
67.05507	0.5
67.07416	0.4
69.20012	4.8
70.06621	0.5
70.93228	0.5
81.03427	0.7
81.07068	0.9
91.05482	2.1
92.86990	0.5
95.08628	1.0
105.07027	1.1
107.08597	0.8
115.05457	2.2
117.07025	3.6
118.06545	47.1
119.07343	3.6
119.08573	0.6
123.11727	0.5
128.06192	0.6
130.06529	0.7
131.08549	0.9
132.08080	1.0
134.09659	99.1
142.06516	4.4
143.07307	5.1
144.04407	1.0
144.08093	23.0
145.10017	0.5
146.06015	98.3
160.07593	1.0
169.10228	0.5
170.06024	8.3
170.07336	0.8
174.09164	1.1
176.07019	0.5
188.07072	100.0
189.07417	1.1
192.10216	1.7
223.46255	0.5
226.94939	0.5
229.16008	0.6
321.07703	1.3
321.15979	19.5
321.20010	1.0
331.10776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
60.04536	0.5
61.93113	0.3
63.27292	0.3
67.05499	0.4
67.60483	0.3
69.07067	0.8
69.42943	2.1
72.04498	0.3
77.03928	0.5
79.05495	0.7
81.07069	0.8
85.06531	0.3
85.26679	0.4
85.83384	0.3
86.09711	98.9
91.05478	0.9
93.07052	1.1
95.08593	0.9
98.20731	0.6
103.05471	4.4
104.97038	0.4
105.07037	0.4
107.04955	1.7
107.08638	0.4
119.08541	0.3
120.08114	100.0
121.08434	0.8
121.10128	0.5
127.21315	0.3
128.10727	48.8
129.11015	0.3
131.04922	2.3
131.08577	0.4
133.10120	0.4
137.09598	0.7
137.48300	0.4
145.10127	0.4
149.06006	1.9
150.29912	0.4
156.10216	15.7
165.09178	0.5
166.08652	66.8
167.09004	0.5
187.07562	0.4
247.09647	0.3
275.09128	0.6
321.09790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.03429	0.9
67.05505	12.3
69.07064	0.8
70.06583	2.0
71.04974	1.9
71.52329	0.8
72.08154	4.4
74.02438	2.8
74.34022	0.6
77.03947	0.8
79.05487	3.1
81.03417	1.7
81.07053	9.5
82.06615	0.8
83.08620	1.7
84.04489	0.9
84.08146	5.8
85.02887	1.0
86.09676	1.6
91.05485	3.3
93.07027	3.2
94.06569	9.8
95.04985	1.2
95.08598	2.8
97.02852	0.7
97.06502	1.1
98.09718	0.8
105.03502	0.8
105.07046	1.3
107.08600	1.9
109.06484	1.0
109.10192	1.1
111.08095	0.9
116.07161	0.6
117.05738	0.9
117.07030	2.3
118.06551	15.6
119.08582	1.3
120.08102	0.9
121.10163	2.0
122.06037	30.2
122.06924	1.4
123.11727	1.3
128.07115	0.8
129.06946	0.7
130.05046	0.9
130.06537	23.3
130.08636	18.5
131.08607	1.1
132.08099	17.3
133.10129	0.9
135.11740	0.7
136.07582	57.2
140.07069	1.0
142.06555	1.2
143.07324	2.1
143.08496	1.0
144.04431	1.0
144.08095	17.1
145.07639	1.5
145.10129	1.3
146.06013	58.3
147.11687	1.3
159.09195	2.6
164.07076	100.0
165.12822	0.7
166.04951	0.8
167.07344	1.4
168.08078	2.2
170.06004	4.3
172.09775	3.3
175.70258	0.8
182.08141	80.6
183.08606	1.1
186.12759	6.2
187.03966	0.8
188.07072	65.8
191.08282	1.8
194.12460	0.9
196.11224	5.6
213.13826	1.7
238.56255	0.7
239.20271	0.6
242.11761	21.3
247.10658	0.7
259.14432	86.8
260.14725	0.9
268.16293	0.9
286.10666	0.9
303.13550	1.4
303.17062	7.2
303.23145	1.2
304.11865	1.3
321.10870	2.7
321.14447	1.6
321.18091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.05507	1.7
65.03941	0.8
67.05511	9.5
69.03419	1.2
69.07072	1.3
69.20391	6.1
70.06610	3.4
71.01344	1.2
71.04986	0.9
72.08141	2.7
72.30124	0.8
74.02443	1.6
75.49639	0.7
77.03933	0.8
79.05498	3.4
81.03419	2.4
81.07056	7.5
82.03758	0.7
83.04995	0.7
83.08621	0.8
84.08167	3.7
85.02901	1.5
85.06545	0.9
86.09715	1.2
91.05480	4.6
93.07050	2.1
94.06562	9.0
95.04967	2.6
95.08624	5.8
97.02882	1.0
97.06553	1.1
97.98940	0.7
103.05537	0.7
105.07042	1.9
107.08587	1.1
108.08133	1.0
109.06510	1.1
109.10101	0.7
111.08054	0.7
115.05459	2.0
117.05788	1.1
117.06986	1.5
118.06558	10.8
119.08553	1.0
120.08115	1.2
121.10149	1.7
122.06043	28.8
123.04517	0.8
123.08082	2.5
127.03905	0.6
130.06537	34.0
130.08636	8.7
131.08551	1.0
132.08098	15.6
132.09027	1.5
133.10135	1.2
134.06013	0.8
135.08046	0.8
136.07587	63.1
138.09131	0.7
140.07039	1.5
142.06557	3.3
143.07326	0.7
143.08514	0.8
144.04434	1.3
144.05661	1.1
144.08092	10.8
145.10132	0.9
146.06023	32.8
147.11667	1.1
148.03879	0.8
151.07481	0.9
158.06027	1.7
159.08119	1.1
159.09206	17.3
159.11690	1.2
160.07570	2.2
161.07144	0.9
162.05531	3.3
164.07080	100.0
165.05513	1.0
168.08075	1.8
169.07640	2.0
169.10220	0.8
170.06036	7.9
172.03972	1.2
172.09804	3.1
182.08142	76.9
184.07584	1.2
186.12819	2.9
188.07080	33.4
189.06657	1.6
190.05063	2.0
193.12303	0.9
194.12569	2.5
195.09225	1.5
196.11292	2.1
197.07225	0.7
201.12741	1.0
211.08736	1.6
215.08527	0.8
221.07144	1.8
227.28947	0.8
239.08112	3.8
242.11795	7.6
257.09335	4.5
259.14438	30.1
268.16388	1.3
275.10318	17.3
285.08780	3.6
285.12024	1.3
286.17395	1.2
303.06543	0.8
303.09732	3.4
303.13354	2.6
303.16528	4.1
304.11877	1.9
321.07101	1.3
321.10550	2.4
321.14438	2.2
321.18106	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	321.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01868	0.8
55.05504	1.7
57.03433	1.1
65.03909	0.8
66.67246	0.9
67.05511	11.5
69.07079	1.2
69.76163	4.4
70.06586	2.0
71.04979	1.2
71.30840	0.8
72.08146	3.0
72.48593	0.9
74.02446	1.9
77.03979	0.8
79.05492	2.8
81.03411	2.2
81.07064	6.4
83.04974	1.6
83.08595	1.4
84.08153	4.5
85.02892	1.6
86.09702	1.5
91.05489	3.9
91.12202	0.9
93.07033	2.0
94.06577	8.0
95.04945	2.0
95.08611	5.1
97.06570	1.1
105.07011	1.1
107.08575	1.0
109.06495	0.9
115.05469	1.2
117.06991	2.3
118.06554	13.3
119.08584	1.2
120.08150	1.0
122.05182	1.8
122.06036	28.6
123.04384	1.0
123.08054	2.1
130.06531	34.1
130.08646	11.3
131.08505	0.9
132.08093	17.1
136.07588	62.1
137.99513	0.7
138.05479	0.9
140.07066	1.9
142.06525	3.2
144.08101	11.7
145.10129	1.0
146.06018	41.0
156.08006	0.9
159.07997	1.4
159.09180	12.8
159.11662	1.0
160.07584	1.9
162.05490	3.7
164.07074	100.0
168.08125	2.2
169.07692	1.2
170.06015	6.5
172.04021	1.5
172.09705	3.6
175.11189	1.0
182.08139	76.4
185.07060	1.2
186.12804	4.0
187.08731	1.0
188.07077	46.5
189.06549	1.9
194.12584	1.2
196.11238	3.6
204.05199	0.9
208.76791	0.7
211.08644	1.1
218.04578	1.2
221.07100	1.2
225.19495	0.8
239.08250	2.8
242.11765	12.9
243.11388	1.4
257.09198	3.5
257.12958	0.9
259.14447	41.8
275.10278	14.9
285.08820	1.5
285.12128	0.8
303.06122	1.0
303.09644	3.0
303.13379	2.2
303.16888	5.2
304.11761	1.9
321.07275	1.4
321.10736	1.2
321.14282	1.9
321.18127	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.6
57.03447	2.3
70.75101	4.2
70.98129	3.2
70.99856	3.2
73.01422	3.1
82.99828	8.6
86.09747	2.3
91.02450	2.6
97.01393	4.0
98.97583	30.2
101.00886	74.7
102.96938	1.7
103.00646	2.4
104.32179	2.0
105.04071	2.0
110.97594	5.9
113.00880	21.0
115.02443	26.5
116.98627	4.8
117.03999	4.7
119.01926	79.3
121.01620	1.8
125.00899	2.3
126.98818	2.9
127.02441	2.8
128.98647	4.0
129.00351	1.9
129.04004	6.6
131.00298	1.8
131.01913	34.1
133.03468	33.0
135.03221	2.6
135.05029	2.2
137.02950	6.3
140.98608	2.5
143.01921	21.1
144.99840	3.6
145.03525	10.3
146.99684	3.1
147.01465	2.3
147.05029	3.3
149.02969	6.3
151.04561	3.3
155.01947	9.9
157.03493	4.8
158.99652	5.3
159.01376	2.5
159.05063	8.7
161.02971	24.4
163.02777	1.9
168.99854	24.3
170.99913	1.5
171.01390	9.5
171.05035	8.4
173.01503	2.7
173.02972	25.4
173.06598	3.7
175.04550	4.2
177.00708	7.2
177.02426	3.9
177.06099	3.1
185.02962	4.0
185.06474	2.1
186.99147	2.8
187.00888	44.7
189.00815	3.3
189.02400	19.3
189.06064	3.8
191.02379	2.5
191.03983	16.5
196.99336	15.9
199.00813	2.4
201.00693	4.5
201.02499	8.0
201.06126	4.4
203.04054	6.0
205.01952	10.9
214.95740	2.2
215.00377	56.2
217.02017	4.4
219.01720	11.9
219.03549	7.7
221.05116	11.7
229.01950	35.5
231.03503	7.3
233.01378	4.8
233.05093	28.6
237.02773	5.1
247.02997	100.0
249.04738	4.1
251.06325	2.0
261.02560	2.6
261.04901	2.8
261.08252	13.8
265.04102	7.2
270.04480	2.2
278.97028	2.8
279.03549	3.3
279.06094	2.8
279.09253	22.1
289.03986	17.5
321.06558	15.2
321.10092	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55671	0.6
55.01851	0.9
56.96568	8.7
57.03436	1.8
58.99853	1.1
61.02916	2.0
68.98272	1.7
70.06573	1.2
70.23672	2.2
70.98132	3.4
70.99852	3.6
73.01414	2.1
73.02905	1.0
82.99831	10.9
83.38760	0.7
84.08149	1.2
84.96060	0.8
85.01411	1.0
85.02898	1.1
86.99331	0.9
88.99188	1.6
89.00856	1.2
91.02467	1.8
94.99844	1.5
97.01394	5.0
97.02889	1.6
98.97585	16.2
101.00887	79.8
103.00622	1.6
103.02456	1.7
105.04042	1.0
110.97571	3.1
112.99137	1.6
113.00875	25.1
113.03455	1.6
115.02437	23.8
116.98609	3.0
117.03996	4.1
119.01926	84.7
120.02017	1.3
121.01672	1.0
125.00865	1.7
126.98785	3.1
127.02419	3.3
128.98624	2.8
129.00346	1.3
129.03998	7.1
131.00267	1.1
131.01909	30.9
133.03476	39.4
135.03210	1.9
135.05049	2.2
137.00865	1.5
137.02957	7.4
138.01549	0.8
139.02438	1.4
140.98500	0.9
141.00237	0.8
141.03966	1.9
142.03487	1.2
143.01904	24.6
144.99825	3.8
145.01692	0.9
145.03487	8.7
146.99663	3.1
147.01405	2.7
147.05054	4.9
149.02963	5.9
151.04535	3.7
154.98337	1.0
155.01903	10.7
155.05637	0.9
157.03470	7.5
158.99707	5.3
159.01398	3.3
159.03738	1.1
159.05032	9.2
161.02966	24.8
163.02782	1.1
163.04523	1.8
167.01888	1.3
168.99835	25.6
171.01401	10.7
171.05057	10.3
173.01453	1.5
173.02966	22.2
173.06610	2.4
174.99109	1.4
175.01019	0.8
175.02917	1.5
175.04529	5.7
177.00714	6.5
177.02461	3.4
177.04382	0.9
177.06133	2.3
179.04031	0.8
180.99852	0.8
183.01367	2.6
183.03259	0.9
183.05034	1.7
185.02954	4.5
187.00888	52.2
187.04454	2.0
189.00787	1.9
189.02451	20.8
189.04323	0.7
189.06050	5.3
191.02315	1.6
191.04005	18.3
195.01863	1.4
195.05219	0.8
196.99329	16.8
199.00920	3.3
199.04485	1.2
201.00688	2.0
201.02458	8.8
201.06148	3.5
203.04027	6.4
203.07712	1.1
205.00189	1.3
205.01962	11.1
205.03781	1.2
207.01755	1.7
207.03511	1.6
213.06148	2.0
215.00375	55.7
217.02017	4.4
217.05595	2.0
218.03586	1.3
219.01700	5.0
219.03543	8.2
219.06966	4.5
220.99757	1.1
221.05077	12.7
223.01041	0.8
223.02997	1.0
227.03944	2.7
229.01944	42.8
230.02151	0.9
231.01637	1.0
231.03563	7.3
231.07130	3.1
233.01634	4.2
233.05075	30.6
234.05128	1.2
235.03114	0.9
235.06657	1.2
237.02785	2.3
239.00575	0.9
239.06142	1.2
243.07347	1.2
245.04999	1.4
247.03011	100.0
248.03178	2.1
249.04584	5.2
251.00801	1.7
251.06161	1.2
261.04538	3.6
261.08218	14.9
265.04077	9.9
270.04639	2.0
279.00949	1.0
279.05670	5.8
279.09283	21.4
289.04089	20.3
290.04041	1.1
291.04587	0.9
303.05740	1.0
307.05099	2.4
307.38501	0.8
321.06573	19.9
321.10117	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	320.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92028	1.9
55.05525	16.5
57.03418	8.5
57.07066	3.6
63.18658	2.1
67.05512	19.6
69.03416	4.9
69.07052	10.3
71.04994	4.5
71.39368	4.2
71.39693	2.2
72.08119	3.2
79.05116	2.4
79.05497	22.3
81.03424	70.1
81.06646	3.0
81.07062	28.3
83.04988	18.8
83.08226	2.5
83.08628	25.2
84.08143	2.7
85.02913	11.0
85.06535	3.6
87.08087	2.2
88.17720	2.3
91.05493	27.7
93.07059	15.5
95.04977	28.1
95.08599	10.1
97.02901	4.6
97.06518	5.7
97.10189	6.1
99.43952	2.2
105.07036	18.3
107.04951	8.3
107.08571	9.1
109.06512	6.3
109.10155	3.8
110.02311	2.3
111.04443	3.4
111.08092	17.1
115.05434	3.2
115.65525	2.2
119.08598	17.8
121.06480	4.1
121.10157	8.6
123.08112	3.4
123.11703	5.4
129.07010	13.5
131.08551	13.3
133.06517	3.2
133.10132	14.8
136.07527	3.3
137.06093	2.5
137.09538	2.6
145.10115	5.0
147.04410	2.5
147.08058	3.6
147.11710	19.7
149.09621	8.6
157.10155	17.5
165.12776	2.9
175.11205	13.8
193.12260	86.6
211.13319	87.0
267.15982	21.1
277.42264	2.9
285.16992	100.0
286.17502	2.4
302.17389	4.1
320.07034	3.5
320.18982	11.3
320.22067	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	319.2269
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
53.03927	3.3
55.05511	11.5
57.07072	3.2
64.82417	1.3
65.03942	1.7
66.24840	1.1
66.87608	1.2
67.05505	29.3
69.07069	15.8
70.42709	4.7
76.26504	1.3
77.03914	1.3
77.40285	1.3
77.50434	1.3
79.05496	29.2
79.05964	1.6
81.07058	72.4
83.04967	4.2
83.08627	6.9
91.05487	21.2
93.03391	1.5
93.07047	50.1
93.07635	2.4
95.04970	6.1
95.08611	75.9
96.34960	1.2
97.06527	5.1
97.10189	2.7
99.04468	2.6
105.07030	20.1
107.04955	2.2
107.07883	3.0
107.08598	51.2
109.06503	4.1
109.10157	49.7
111.04443	9.6
111.08083	5.8
117.07004	8.8
119.08581	15.8
121.06509	3.7
121.09327	2.4
121.10147	28.7
123.04435	4.8
123.08063	3.0
123.11710	47.8
125.06004	8.6
125.09602	4.3
131.04997	1.5
131.08586	8.9
133.10153	15.2
135.04419	3.4
135.08023	3.7
135.11696	34.1
137.05980	5.1
137.09613	2.9
137.13263	4.6
139.07552	14.3
143.08607	1.9
145.10106	11.1
147.08142	1.8
147.11693	7.8
149.06013	3.0
149.09616	2.4
149.13266	19.2
151.07584	2.1
153.09108	26.2
153.12740	15.9
157.10115	2.9
159.08115	1.7
159.11697	8.8
161.09555	2.7
163.07523	2.4
163.11180	1.4
163.14809	4.2
165.09187	2.8
167.10654	8.3
171.11668	2.6
173.09637	3.0
173.13210	3.3
175.11160	2.6
177.09129	3.0
179.10670	18.7
181.08617	1.5
181.12106	1.4
186.37637	1.3
187.11218	6.1
187.43552	1.5
189.12585	1.6
191.10667	18.5
191.17868	2.2
193.12216	8.3
201.12709	2.1
203.18073	1.8
205.12260	35.1
207.13759	8.7
217.12263	5.1
219.13812	24.9
221.15312	3.2
225.91609	1.4
231.13757	5.4
233.15396	8.0
245.15321	10.1
261.18665	2.3
271.20526	3.3
283.20718	2.0
289.21625	67.9
290.21927	1.5
301.21613	100.0
302.21957	2.0
318.13208	1.4
319.12924	2.0
319.22662	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	319.2269
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
53.03954	2.7
55.05518	11.4
57.07072	5.5
65.03936	2.7
67.05505	26.4
69.07072	14.1
69.90530	3.2
69.90934	6.7
70.06588	2.6
79.05495	26.8
81.07059	69.2
83.04969	3.2
83.08618	6.7
88.07623	2.0
88.66949	1.5
91.05477	18.3
93.07044	43.6
95.04958	4.2
95.08611	70.0
97.06541	4.9
97.10120	2.5
99.04453	4.3
102.09165	2.3
105.07038	16.2
107.04926	1.9
107.08600	46.3
109.06515	3.7
109.10166	48.1
111.04441	6.9
111.08045	4.5
117.07020	6.7
119.08601	12.6
121.06498	2.2
121.10148	24.7
123.04446	5.6
123.08074	4.5
123.11713	52.8
125.06024	7.9
125.09623	3.4
130.07768	1.6
131.08578	8.1
133.10153	17.7
135.04422	5.1
135.08041	4.2
135.11693	38.8
137.05997	5.6
139.07544	14.7
145.06529	1.8
145.10143	9.9
147.08035	2.0
147.11713	7.8
148.77867	1.5
149.06012	1.8
149.09651	3.0
149.13264	23.4
151.07539	3.3
151.11162	1.9
153.09119	28.0
153.12746	14.5
159.11710	10.3
161.09599	3.7
161.13248	2.1
161.92751	1.4
163.14821	2.7
165.09035	2.2
167.10690	11.7
173.09692	3.1
173.13181	2.2
177.09134	2.6
177.12746	1.7
179.10693	17.9
181.08702	2.4
182.06342	1.9
185.13239	2.4
187.11154	3.6
191.10687	21.2
193.12225	6.8
201.12773	3.1
205.12236	38.5
207.13809	7.7
217.12253	3.1
219.11847	2.0
219.13846	25.3
221.15347	2.8
226.82791	1.8
231.13774	8.0
233.15401	11.4
245.15419	7.9
256.26373	2.0
257.26706	13.7
259.16895	2.0
261.18515	6.4
271.20541	5.8
277.08295	1.6
289.18317	2.6
289.21631	81.6
301.21637	100.0
315.17267	1.7
319.22681	48.3
319.30353	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
53.03934	2.2
53.26529	1.0
54.55342	1.3
55.05516	10.9
57.07065	4.2
65.03946	2.2
65.34528	1.3
66.26563	1.2
67.05507	28.6
69.03416	1.4
69.07071	16.2
69.27121	1.2
69.98154	5.5
71.04994	3.5
77.03917	1.7
79.05499	28.5
81.03413	2.5
81.07060	71.5
82.95296	1.2
83.04996	3.4
83.08627	6.7
89.12199	1.5
91.05485	19.3
91.93767	1.1
93.07050	49.2
95.04969	5.8
95.08612	72.3
97.06528	4.4
97.10187	4.6
99.04436	3.3
105.04514	1.4
105.07042	21.7
107.04953	2.7
107.08602	56.0
109.06499	3.7
109.10165	55.2
109.10729	0.8
111.04472	7.0
111.08071	4.1
111.11723	1.6
117.07012	6.4
119.08585	15.6
121.06490	4.3
121.10147	28.5
123.04426	4.7
123.08047	4.0
123.11712	44.1
125.06024	7.2
125.09628	5.4
131.08563	9.6
133.06429	1.3
133.10124	18.3
134.87497	1.1
135.04411	4.6
135.08043	3.7
135.11696	36.0
137.05975	3.8
137.09579	2.9
137.13255	4.9
139.07545	19.1
139.11177	2.7
143.08583	2.5
145.06409	1.2
145.10117	11.4
147.08081	2.2
147.11740	5.9
149.06039	3.0
149.09663	3.0
149.13257	19.5
151.07545	1.8
151.11154	1.6
153.09117	29.8
153.12729	14.2
157.10170	2.9
159.08125	1.7
159.11703	9.1
161.05901	1.4
161.09616	5.4
161.13248	2.7
161.67546	1.2
163.07532	2.3
163.11153	2.5
163.14789	3.8
165.09131	4.6
167.10663	9.1
171.11665	2.5
173.09755	2.8
173.13293	5.5
175.11172	2.9
175.14771	1.1
177.09116	4.5
179.10677	16.4
181.12251	3.4
185.13397	1.5
187.11215	5.7
187.14835	1.3
189.12814	2.3
190.82321	1.2
191.10706	20.0
191.17853	2.0
193.12189	9.0
201.12753	4.0
203.10764	1.7
205.12259	33.5
207.13863	7.8
213.16237	2.0
215.14420	2.3
217.12210	1.7
219.13815	25.5
221.15448	2.1
231.13811	7.0
233.15331	9.3
245.15410	8.8
258.81537	1.3
259.17148	2.4
259.20572	1.5
261.18546	3.7
271.20563	3.1
275.19937	1.8
283.20541	3.5
289.21631	67.1
301.21637	100.0
319.22687	64.0
319.26505	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
51.62989	2.3
53.03947	5.8
55.05517	24.2
57.03429	4.3
57.07069	5.1
67.05510	39.5
69.03423	3.8
69.07073	22.5
70.34270	7.0
70.34619	3.0
76.74696	2.3
79.05498	34.6
81.03442	4.9
81.07061	77.8
81.55318	2.4
83.04993	6.2
83.08625	7.4
85.06536	3.8
91.05483	26.6
93.07050	55.6
95.04965	9.9
95.08615	84.9
97.02908	4.5
97.06549	11.1
97.10182	6.2
98.20911	2.6
99.04440	3.4
105.07042	31.4
107.08599	65.4
109.06527	10.1
109.10167	60.2
111.04460	8.9
111.08054	5.4
117.07011	7.9
119.08566	21.5
121.06521	7.1
121.10146	37.9
123.04407	5.8
123.08063	7.7
123.11720	47.5
125.06007	9.7
125.09623	7.5
129.07014	4.5
131.08591	9.2
133.10121	22.0
135.04396	3.2
135.08075	6.1
135.11694	36.8
137.05981	4.5
137.09616	8.2
137.13290	4.6
139.07576	18.7
142.07803	3.5
143.08568	3.9
145.10141	18.9
145.11108	3.7
147.08107	3.9
147.11699	9.1
149.06079	2.8
149.13263	21.0
151.07545	3.7
153.09135	25.3
153.12767	13.8
157.10170	7.4
159.11765	14.9
161.09639	8.9
161.13301	3.4
163.11252	3.2
165.09119	4.1
167.10709	8.7
171.11664	3.5
173.09683	3.4
173.13332	6.9
175.11185	6.6
177.09146	6.0
177.12704	3.6
179.10655	15.3
185.13214	4.0
187.11192	6.7
189.12776	4.2
191.10704	19.9
193.12256	7.8
199.14774	3.4
205.12248	37.7
207.13820	7.3
217.12335	2.9
219.13844	26.2
231.13889	7.4
233.15388	8.9
245.15465	9.0
259.16983	3.9
261.18594	3.0
271.20456	3.7
283.20578	4.3
288.66925	2.4
289.21646	71.3
291.15915	2.7
301.14331	5.3
301.21613	100.0
303.01038	2.6
319.18942	7.1
319.22574	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
53.03933	3.5
55.05515	12.7
56.96556	3.3
57.03423	2.1
57.07071	2.9
59.08668	1.6
60.35627	1.8
65.03934	2.3
67.05187	2.7
67.05511	36.5
69.03418	3.1
69.07078	20.7
69.19256	14.8
73.05291	1.8
79.05081	3.0
79.05502	39.4
81.03403	2.6
81.07062	75.9
83.04975	4.3
83.08596	7.5
85.02867	2.5
85.06538	2.5
91.05501	26.6
93.07053	56.6
95.04992	12.1
95.08617	84.3
96.57552	1.9
97.02876	3.5
97.06519	6.9
97.10140	4.8
98.97565	5.3
99.04437	5.6
103.05437	2.1
105.07040	25.4
107.07901	2.9
107.08604	61.2
109.06506	5.6
109.10168	62.1
110.97585	2.7
111.04445	9.5
111.08064	7.3
115.05450	3.4
117.07030	9.2
119.08590	19.8
121.06495	5.2
121.09364	1.9
121.10163	35.4
123.04397	5.8
123.08108	3.4
123.11726	50.7
125.06010	9.1
125.09621	4.1
125.29033	1.7
128.06235	3.0
128.84473	1.9
129.06982	4.6
131.08588	12.4
133.06439	3.4
133.10146	22.5
135.04404	6.5
135.08025	6.2
135.11711	30.7
137.05954	5.1
137.09579	4.6
137.13277	4.3
139.07550	18.1
143.08601	4.1
144.08116	2.8
145.06445	2.3
145.10147	12.9
147.07974	2.0
147.11685	9.4
149.05959	3.5
149.09535	3.4
149.13278	23.1
151.07594	3.4
151.11201	2.2
153.09135	30.2
153.12729	15.6
157.10112	4.3
159.08109	2.8
159.11720	13.2
161.09587	7.6
161.13261	2.5
163.11191	2.5
163.14780	4.9
165.09082	3.0
167.10661	7.8
171.11699	2.5
173.09653	4.1
173.13234	5.0
175.11244	2.9
175.14769	2.1
177.09097	5.0
177.12718	3.0
179.10681	16.6
181.12228	2.5
185.13309	2.9
187.11176	6.6
189.12686	3.1
191.10690	18.1
193.12279	10.4
199.14772	2.4
201.12711	3.9
205.12265	36.4
207.13889	10.3
217.12248	4.2
219.01776	3.2
219.13826	24.0
221.15364	2.9
231.13852	9.5
233.15485	9.0
237.02734	2.4
245.15311	8.0
259.13263	1.9
259.16806	2.9
271.20477	5.6
273.21872	2.0
283.20493	2.0
289.21661	77.9
301.21643	100.0
310.12448	2.0
319.19229	4.3
319.22629	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72655	0.8
55.05495	0.9
56.05011	2.0
56.96556	1.8
69.03423	1.0
70.06566	4.0
72.08128	3.0
81.07012	1.0
84.04485	2.4
84.08121	3.2
85.02878	1.6
86.07240	0.8
86.09711	4.2
87.10010	1.5
88.03989	1.3
91.05445	1.0
95.04955	0.9
95.08546	1.1
97.02869	1.3
102.05530	1.0
107.80975	0.8
109.06419	0.9
111.04414	1.6
116.07062	1.3
120.08079	2.4
121.06509	1.0
122.06795	1.2
129.10225	1.0
132.04411	2.6
132.10167	1.3
133.10457	1.3
134.97815	1.1
135.04308	0.9
137.05933	1.4
138.05464	1.6
139.03870	1.4
139.05762	0.9
140.04237	1.1
140.08119	0.8
148.97241	1.3
149.70532	0.8
150.05441	1.5
156.06500	1.1
157.01036	1.4
157.08340	2.6
159.07553	1.6
160.07922	1.3
163.03828	1.7
181.08678	0.9
221.02856	1.5
231.07655	5.7
233.13841	0.9
251.02431	1.3
259.11914	4.4
277.12979	16.4
301.11703	2.1
302.12512	7.7
319.13516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41512	0.7
56.05035	5.0
57.05814	1.3
59.06075	0.7
60.05649	1.3
61.94501	0.7
69.04545	1.7
69.12650	0.6
70.06588	2.9
70.68081	1.6
70.68398	0.9
72.08155	0.7
83.05004	0.7
83.06104	3.1
85.03750	0.8
86.09673	1.2
91.41311	0.6
95.06089	1.7
97.06512	0.9
106.06582	1.9
111.05573	7.2
112.08748	1.0
113.07101	4.0
120.04465	3.7
123.05555	0.9
125.70242	0.8
126.05828	0.9
126.06628	4.4
127.07426	1.8
128.58846	0.8
132.04457	12.9
132.08124	1.1
134.06003	4.0
136.07611	0.8
137.04701	0.8
138.02261	0.7
140.08180	1.7
148.03978	0.8
150.05484	6.8
151.06148	7.5
162.05495	1.0
165.06610	0.8
176.07097	1.3
187.08720	5.0
189.06599	1.1
202.09720	3.7
203.08200	3.2
216.11369	0.9
230.09233	3.1
231.07671	26.7
233.09326	0.9
233.14018	7.9
234.12401	0.8
242.09244	1.5
246.08774	0.8
257.10352	4.2
259.11902	27.7
260.10294	1.5
277.12961	84.8
278.13300	0.9
284.11395	8.0
301.14096	2.3
302.12482	45.6
319.15146	100.0
320.15387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.1
58.99852	1.2
67.81842	0.6
68.88577	0.6
70.22099	2.0
70.98103	2.0
70.99859	5.4
73.01432	1.5
73.02882	0.6
73.33298	0.6
78.36579	0.6
82.99829	4.4
84.08134	1.0
84.96037	0.9
85.02901	1.3
86.09697	1.5
87.63430	0.5
89.00884	2.1
91.02393	1.0
94.12847	0.6
98.97592	5.9
101.00881	28.6
110.97566	1.8
113.00854	2.1
115.02427	9.5
116.98606	1.7
119.01923	27.3
128.98607	2.2
131.01907	3.8
131.04047	0.6
133.03474	36.9
137.02960	2.3
138.05486	2.2
138.98709	0.7
139.05817	1.7
140.03859	0.7
140.98523	1.1
142.05368	0.7
143.01903	2.7
145.03481	2.3
146.99605	1.6
149.02908	2.5
151.04561	3.7
155.01840	0.9
156.99831	10.7
158.99643	2.2
159.01428	1.0
160.06465	1.3
161.02956	5.7
163.04480	0.6
168.01891	1.6
171.01392	13.1
172.94232	0.8
172.97647	1.1
173.02971	3.5
175.00891	43.7
177.00786	1.3
177.02335	1.2
179.02231	0.6
189.02469	22.2
189.04167	1.0
190.98599	1.5
191.02420	0.7
191.04076	1.8
193.00241	1.0
193.01942	5.9
193.03552	1.2
199.00862	14.3
199.02707	0.8
201.02509	1.7
203.03940	1.8
206.07008	2.5
207.03473	1.0
208.99648	1.2
215.03998	1.5
217.01938	100.0
218.02124	1.3
221.02971	3.2
221.04976	1.2
224.08089	1.8
227.00473	0.7
229.02034	1.1
231.03546	7.6
235.02997	38.6
237.02762	0.8
240.03583	1.5
245.01418	3.5
249.04732	4.2
259.03033	24.4
263.02597	1.0
277.04062	44.1
278.04153	0.8
295.05090	3.8
301.04257	1.0
301.14291	0.9
319.05270	5.0
319.15491	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	319.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
55.05537	2.6
56.05038	3.8
56.96572	0.6
57.03440	0.6
58.99576	2.8
61.01161	0.8
67.05540	2.0
68.05035	1.5
69.03480	0.7
69.07088	1.9
70.02990	1.1
70.06616	1.6
70.43768	1.1
70.44129	1.1
71.05012	1.1
72.08177	1.0
74.00659	3.0
74.11328	0.5
75.34628	0.5
76.02253	2.4
76.04062	0.6
79.05508	2.7
80.05036	1.3
81.03449	1.6
81.07063	5.1
83.05003	1.2
83.08652	1.3
84.04518	1.4
84.08152	3.1
85.01126	2.8
85.02932	1.8
86.00656	22.8
86.09720	2.8
87.02733	0.8
88.02239	1.7
91.05513	1.7
93.07056	1.5
94.06579	0.8
95.04998	0.9
95.08623	5.1
96.08147	1.2
97.01141	1.0
97.02895	1.0
97.06572	1.1
98.09695	6.1
98.10262	0.5
99.08109	0.8
100.02236	0.8
101.06073	0.6
102.05574	2.4
103.05489	0.6
105.07077	1.1
107.08647	0.7
109.02903	0.9
109.10141	1.0
110.09713	2.5
111.11745	0.8
112.03989	1.8
113.04232	9.9
113.04964	0.7
116.01720	1.5
116.07082	0.8
118.06592	0.6
119.08627	0.7
120.08131	2.3
121.06564	0.7
121.10168	1.6
122.09673	3.6
123.08061	2.8
127.03986	0.8
129.07358	3.7
129.10242	1.1
130.05014	1.4
130.06862	1.4
130.08687	0.8
132.06619	0.6
132.08136	0.9
133.92516	0.6
136.07629	0.6
139.05833	2.9
139.11208	1.8
140.94505	0.5
141.09174	0.6
142.04984	1.2
143.02724	0.7
145.06136	1.1
146.02689	1.3
146.06039	2.1
156.08441	77.9
156.10197	4.5
157.08768	0.6
157.12297	1.1
160.06110	2.0
184.07690	0.6
185.11635	0.7
188.01756	0.6
188.07080	1.9
189.03357	0.8
195.07828	1.0
198.07639	1.0
198.09494	20.9
213.10515	3.8
214.08603	1.3
216.10548	100.0
217.10909	0.8
224.08096	0.5
226.09019	1.3
231.07568	1.0
240.08968	0.8
241.09686	0.6
242.08359	0.7
244.09744	0.6
255.11508	2.4
259.11133	46.7
273.12262	1.6
273.14984	0.7
275.14044	0.9
277.12970	4.1
283.11038	2.6
301.11954	7.7
301.14725	0.7
302.12476	1.1
319.13086	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01858	0.6
55.05503	1.9
57.03428	1.2
67.05499	1.7
67.50800	0.4
69.03413	1.0
69.07072	0.8
70.06609	0.8
71.01376	0.7
71.05004	0.4
71.52140	0.7
71.52512	0.5
72.08163	0.7
79.05499	12.7
81.03428	0.6
81.07051	1.3
83.04952	0.5
84.08131	1.5
85.02877	0.4
86.09711	3.4
88.36150	0.4
89.02383	2.0
91.05486	6.1
93.07051	41.8
95.04982	1.4
95.06101	0.4
95.08607	1.1
97.02905	0.6
97.06548	0.6
103.05454	0.8
105.04526	0.6
105.07032	4.7
107.08601	12.1
109.10175	1.1
119.08605	1.0
120.08107	1.7
121.10153	100.0
122.10476	0.5
123.08071	0.7
123.11763	0.5
125.06014	0.5
127.03932	0.5
128.10733	1.6
131.08553	1.1
132.08058	0.6
133.06494	0.4
133.07591	1.0
135.02882	0.7
136.07579	1.0
137.09628	0.6
138.05534	3.0
139.11185	0.8
149.06004	0.8
149.09644	6.3
150.64925	0.4
151.03918	1.1
156.06581	1.4
164.07149	0.5
166.90640	0.5
167.10707	1.6
177.05434	1.2
187.03125	0.4
210.56651	0.4
275.05035	0.5
282.13162	0.5
283.11646	0.6
300.21674	0.6
301.11166	0.5
318.06924	6.4
318.18256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2024
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05514	4.7
56.05043	0.8
57.05824	0.6
60.04527	23.5
66.96515	0.4
67.05521	1.0
69.03428	0.8
69.07079	1.2
70.02962	1.7
70.06593	3.2
71.51222	0.6
72.08160	60.0
79.05506	0.6
81.03430	1.1
81.07062	0.8
82.06592	0.5
83.04995	0.5
84.04506	1.0
84.08147	1.7
85.02923	1.9
86.09711	33.1
86.75408	0.4
87.05595	15.5
87.06129	0.8
90.05559	1.1
91.05504	0.9
93.07063	1.5
94.06590	0.7
95.05019	0.6
95.08598	0.6
95.83218	0.5
96.08142	2.4
97.02892	0.5
98.09769	0.5
107.04897	0.4
107.95892	0.5
109.10152	0.6
114.09175	17.8
116.07152	0.6
118.08673	1.3
120.08143	1.0
121.06494	4.3
127.03915	1.1
128.10739	3.9
129.10251	1.2
130.06601	0.5
132.10214	5.4
136.06206	0.6
137.05997	1.8
138.05504	3.3
149.06039	0.9
156.06584	2.1
156.10181	0.8
157.07585	0.8
159.11299	100.0
160.11650	0.6
167.07047	1.8
173.12868	22.7
174.83147	0.5
179.10704	0.7
185.08093	0.6
187.10793	36.2
187.14415	1.4
188.06960	0.4
201.12349	7.2
205.11772	0.8
210.14920	2.7
211.13278	1.4
228.15915	3.2
231.07600	0.6
231.17047	1.3
237.09106	0.6
256.15424	0.9
265.11099	0.5
272.12988	0.7
274.16498	2.1
277.05142	0.6
277.12943	0.9
280.27277	0.5
287.64828	0.4
300.18216	0.7
301.11295	0.4
301.15536	0.8
302.12326	0.5
318.06860	0.9
318.19638	0.7
319.15546	0.9
331.49597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.05511	5.5
56.05025	1.4
60.04529	24.1
67.05513	0.9
69.07057	1.6
70.02949	0.9
70.06620	2.8
70.19771	2.1
71.06936	0.6
72.08160	60.0
79.05482	1.4
80.05003	0.6
81.03426	2.4
81.07055	1.8
82.06591	0.5
83.04984	0.7
84.04502	0.9
84.08148	1.6
85.02908	1.1
85.52305	0.5
86.09711	38.7
87.05085	0.9
87.05596	16.1
87.09986	0.5
90.05541	2.9
91.05488	1.7
93.07044	1.8
94.06577	1.1
96.08123	1.8
97.02901	0.6
99.04436	0.8
105.07043	0.6
107.04967	1.4
109.02899	0.6
109.10208	0.6
114.09174	15.5
118.08656	1.4
120.08111	1.2
121.06503	5.9
127.03976	1.5
128.10733	6.8
129.10266	1.3
130.06528	0.9
132.10211	6.0
136.06229	0.6
136.23232	0.6
137.05984	2.8
137.09581	0.5
138.05470	3.9
149.05959	1.3
155.11909	0.6
156.06535	1.7
156.10191	0.9
157.07591	0.6
159.11298	100.0
160.11641	0.9
166.04984	1.1
167.07008	2.6
173.12869	21.7
174.11351	0.6
179.10713	0.6
187.10797	39.2
193.12238	1.1
195.08025	0.7
197.11693	1.1
201.12357	9.4
203.08133	0.8
205.11853	0.8
210.14909	3.8
211.13333	3.6
219.07930	0.6
228.15953	3.9
231.17067	1.7
237.09103	1.0
274.16486	3.5
277.12973	1.3
300.12711	0.6
300.17966	0.7
301.15482	1.4
302.12613	0.6
318.15701	0.8
318.20013	1.1
319.15271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93516	0.6
53.03943	1.9
54.67886	0.5
55.01884	0.8
55.05502	0.8
55.25301	0.6
67.05511	1.1
69.07059	1.2
69.70065	2.0
69.70474	1.1
70.06594	1.1
71.04997	0.8
72.08147	1.9
74.42001	0.6
77.03937	0.9
79.05484	1.7
81.03420	0.7
81.07044	1.4
82.56520	0.7
84.08124	1.8
85.02921	0.8
85.06545	1.3
86.09710	7.2
91.05484	11.1
93.07046	20.2
95.04990	1.6
95.08603	1.0
97.06543	1.1
98.20638	0.7
99.04448	4.4
102.18997	0.7
103.05462	3.2
105.04509	1.3
107.04939	2.2
107.08562	1.2
109.06549	1.1
110.10470	0.7
116.07048	0.6
120.08100	2.6
121.06508	100.0
125.06013	1.0
127.68916	0.5
131.04967	1.3
138.05489	2.8
139.07533	1.7
146.06036	1.0
149.05989	28.9
155.10641	0.8
156.06544	1.7
156.10997	1.1
159.15723	0.7
167.07043	57.2
185.08119	9.2
188.07095	1.8
203.09061	0.9
205.09709	0.9
318.06863	1.3
318.13733	2.3
318.24551	1.0
337.16739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
53.40916	0.4
55.01869	0.9
55.05502	1.4
56.05021	1.1
57.03443	1.5
58.06592	0.4
60.04526	5.4
61.02912	1.3
63.37833	0.3
63.80549	0.3
67.05492	0.9
68.05019	0.4
69.03435	3.5
69.07069	2.8
69.73920	1.4
70.06592	4.1
71.04977	0.5
72.08155	5.6
73.02911	0.8
74.06075	1.1
74.63051	0.3
79.05484	0.8
81.03407	2.0
81.07062	0.8
82.06573	1.1
83.08633	0.4
84.04491	1.1
84.08141	5.2
85.02908	8.1
86.09708	20.4
87.04478	1.0
87.05589	2.9
87.10017	0.5
90.05574	0.4
91.03951	0.6
91.05496	2.0
93.07049	2.4
95.04984	0.4
95.07347	0.3
95.08599	1.8
96.04498	2.6
96.08133	1.9
97.02895	2.8
97.05254	1.7
97.06526	1.5
98.06133	0.4
98.21457	0.5
98.97584	0.4
99.04464	1.1
100.07616	1.1
102.05506	0.6
103.05450	0.5
105.04559	0.3
108.08120	0.5
109.02874	1.6
109.06509	0.7
110.06050	5.9
110.07175	0.4
110.09689	3.1
110.10358	0.5
111.08076	1.1
112.04020	0.3
112.08808	0.4
114.09169	1.3
116.07100	0.7
118.08652	0.8
120.06573	0.7
120.08097	2.7
121.06512	7.4
123.08057	0.4
125.08374	0.7
126.09155	7.8
127.03912	2.0
128.10712	6.5
129.10243	3.3
132.10178	0.6
136.07568	0.9
137.06013	0.6
138.05479	3.1
138.09137	21.2
139.07516	1.7
145.04927	1.1
149.06010	1.8
150.05478	0.4
152.10742	0.7
156.06732	2.0
156.10201	100.0
157.10529	0.6
159.11278	6.5
163.03998	0.5
167.07037	2.7
168.10201	1.1
173.12862	16.0
174.11249	0.5
176.10808	0.4
180.10188	0.7
183.08076	0.4
185.08133	0.7
187.10854	2.4
191.08601	0.5
195.08034	0.4
198.11328	0.8
201.12341	5.7
201.14131	0.4
210.14899	1.3
219.08080	0.8
221.03062	0.5
228.15959	1.2
231.79565	0.4
237.09203	1.0
241.08638	0.5
246.11497	0.3
254.11765	0.6
255.06601	0.8
272.09009	0.4
272.12817	0.4
274.16498	0.5
277.12958	1.0
300.12277	0.5
301.10764	0.5
302.12524	0.8
318.06744	0.5
318.09656	0.4
318.12442	0.6
318.15628	4.1
319.15222	1.1
343.69385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08626	1.0
53.03955	2.0
53.25650	1.1
55.01853	1.1
56.05020	2.6
61.02917	3.3
65.03944	1.4
69.03409	4.2
69.07061	1.3
70.06596	18.9
70.52917	0.9
70.87059	2.5
72.08170	8.8
74.06065	1.6
75.05596	1.3
79.05490	2.0
81.03417	3.0
84.04491	5.4
84.08148	7.8
85.02908	20.5
86.09709	18.0
87.04471	1.3
88.03992	1.3
91.03972	2.2
91.05457	2.8
93.04568	1.1
93.07050	5.4
95.06086	1.2
97.02888	4.7
98.06036	1.2
98.09682	1.4
98.97591	1.9
102.05536	3.1
103.05457	1.9
105.07033	1.6
109.02915	1.2
110.06018	2.8
110.07203	1.2
110.20444	1.1
113.09718	1.2
116.07084	2.9
120.08115	2.0
121.02875	75.5
121.05683	1.8
121.06516	26.1
127.03909	3.6
129.10240	2.1
130.04955	1.3
130.06499	1.9
130.08607	1.7
137.05977	4.3
138.05490	20.2
138.06358	1.3
138.09131	5.8
139.03909	100.0
143.11810	3.1
145.04962	4.6
148.06090	1.6
149.05992	4.8
156.06548	9.5
156.07756	1.2
156.08176	1.0
156.10219	11.1
157.07625	1.5
159.07533	1.2
163.03896	6.1
165.58200	1.1
166.04956	1.1
167.07019	10.1
171.11378	1.4
173.12906	1.3
184.13412	1.2
185.08012	2.4
189.12355	1.6
201.12299	2.4
300.10132	1.9
300.13324	2.3
303.04355	1.3
318.06778	1.9
318.15128	1.9
319.15213	1.8
320.40973	1.1
338.85779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03944	1.3
55.01870	1.3
55.05509	3.9
58.27637	0.5
65.03931	1.0
65.75569	0.5
67.05510	8.9
69.03417	1.5
69.07069	4.3
70.06594	0.8
71.04993	2.5
71.51827	0.9
77.03936	0.6
78.29250	0.5
79.05487	7.0
81.03408	1.0
81.06600	0.7
81.07059	10.2
83.04993	1.4
83.08620	2.4
84.08134	0.6
85.06537	1.2
86.09705	1.0
90.25576	0.5
91.05487	7.7
93.07048	11.9
93.07628	0.6
95.04978	3.5
95.08609	11.6
97.02898	1.2
97.06528	3.0
97.10176	0.7
99.04461	1.2
103.05477	0.8
105.07035	13.0
107.04925	0.9
107.08595	11.7
109.02857	0.7
109.06519	1.7
109.10163	13.7
111.04441	2.6
111.08083	21.5
113.09693	0.6
115.05522	0.7
117.07016	3.9
119.08578	13.6
121.02885	1.4
121.06544	2.7
121.10145	9.3
123.04430	4.2
123.08054	1.7
123.11720	1.8
124.01566	1.2
125.02368	1.3
125.05987	1.8
125.09599	1.3
127.03943	0.8
127.07644	0.9
127.11198	1.0
128.06203	0.8
129.07002	2.0
131.08592	7.6
133.06543	0.9
133.10143	12.2
134.03693	0.6
135.04408	2.2
135.08064	1.3
135.11653	2.7
137.02347	3.7
137.05981	1.2
137.09616	5.9
139.07545	1.6
139.11171	0.8
141.05447	0.8
141.09061	0.7
142.07787	1.4
143.08545	3.7
144.08073	0.7
145.10121	7.5
147.08017	2.7
147.11720	3.7
149.02332	0.6
149.04611	0.8
149.05942	1.4
149.09615	2.2
150.03273	0.7
151.03931	1.6
151.07526	0.7
151.11147	1.5
153.09109	2.1
153.75095	0.6
155.08551	1.2
156.09288	1.3
157.10167	3.4
159.08113	1.6
159.11693	6.4
159.49130	0.6
161.09624	2.3
161.13286	1.5
162.10368	0.5
163.03841	0.8
163.11224	0.7
165.09097	3.5
167.03419	7.3
168.00507	1.6
169.10130	2.0
171.08026	0.7
171.11667	3.1
173.09624	1.9
173.13298	2.3
175.11180	1.9
175.14796	0.7
177.09151	1.2
179.03403	1.4
179.10706	2.4
181.10153	0.8
183.11700	1.4
184.12448	0.8
185.09612	0.8
185.13261	3.9
186.01601	0.9
187.07599	1.0
187.11234	1.7
187.14838	2.0
189.09181	0.9
189.12718	1.0
189.16344	0.7
191.10670	3.5
193.12180	0.7
195.11745	1.3
197.04507	1.0
197.13260	1.8
198.10393	0.9
199.07506	0.8
199.14819	1.5
200.04767	0.9
201.12654	1.3
201.16422	1.0
203.10704	2.5
203.14381	1.1
205.12233	5.1
211.14850	1.3
213.12756	4.1
215.07022	2.3
215.10535	1.0
217.12230	5.7
219.13800	1.7
227.14247	1.0
228.04111	0.9
229.12343	0.7
229.15945	1.6
231.13777	5.3
239.14317	1.0
243.06526	5.1
243.13850	1.4
245.15331	0.9
247.16983	1.6
253.19522	1.6
257.04736	1.0
257.13028	1.0
257.15527	1.4
258.11246	1.2
259.16934	8.3
261.07480	1.0
263.18213	0.6
271.06100	2.6
271.17209	0.6
271.20563	2.3
273.03989	1.1
274.04678	4.3
281.18985	1.9
287.20047	20.8
288.06284	0.9
299.05627	0.9
299.20071	13.3
302.04208	11.0
317.06561	100.0
317.21054	17.4
318.06876	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.14492	1.7
53.03927	2.9
55.01852	2.0
55.05513	12.3
57.07064	7.5
59.04989	4.3
60.04517	1.8
65.03928	2.3
67.05508	49.0
69.03416	6.4
69.07050	5.9
69.47961	1.6
69.85194	2.7
69.85548	6.8
71.04995	4.0
77.00105	1.8
79.05486	10.9
81.07063	31.6
83.04971	4.5
83.08614	7.3
85.06550	4.1
88.07636	1.5
91.05483	15.2
93.07039	18.7
95.04969	28.7
95.08616	21.5
97.06546	10.0
105.07033	15.4
107.04948	1.7
107.08599	40.1
109.06522	18.6
109.10161	83.1
111.04441	1.9
111.08099	2.2
117.07043	3.8
119.08585	56.6
121.06499	5.7
121.10168	10.9
123.08063	26.8
123.11733	2.2
125.05991	2.7
125.09642	2.9
128.06303	1.8
130.07808	2.2
131.08536	6.3
133.06526	3.3
133.10126	11.7
135.08066	11.9
135.11679	4.4
137.05981	2.7
137.09619	65.2
139.07523	2.5
143.08556	5.5
145.10146	12.4
147.08076	5.9
147.11674	7.2
149.09616	6.4
149.13284	1.9
151.07552	63.8
153.05443	5.4
155.08510	3.3
156.09367	2.0
157.10127	5.1
159.08086	4.5
159.11725	5.3
161.09593	8.9
163.07530	2.4
163.11177	5.3
165.09100	8.4
167.07059	2.4
167.14478	1.7
169.10100	2.7
171.11734	5.6
173.09653	5.5
173.13274	5.3
175.11125	3.2
177.09193	2.2
181.08623	3.9
181.12294	3.2
183.11613	3.0
185.13297	2.7
187.14871	1.9
189.12778	24.7
191.10622	1.9
197.13216	3.5
199.11171	2.0
199.14842	1.9
201.12758	2.0
203.14363	3.5
207.13800	23.9
215.14366	4.4
217.12276	1.7
217.16016	2.6
217.79697	1.8
221.15335	7.4
223.15181	1.8
233.15364	4.6
237.14807	8.8
241.15822	3.5
243.13817	7.9
259.17065	2.2
261.14890	5.1
281.19031	5.6
287.34076	1.7
299.20041	13.8
317.06577	6.2
317.21127	100.0
318.29895	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03934	3.7
54.35096	1.7
55.05502	9.4
62.09405	1.9
64.20771	2.1
65.03916	5.7
65.80482	2.1
67.05503	23.9
69.03420	5.4
69.07067	13.3
70.39888	6.6
70.40265	3.5
71.04978	2.1
74.39909	1.7
79.05489	21.6
81.03419	2.3
81.07068	25.8
83.04972	4.5
83.08618	7.6
83.92241	2.3
85.02901	4.2
86.06096	4.6
91.02998	1.8
91.05488	32.5
93.06484	3.7
93.07047	47.2
93.07635	3.0
95.04972	100.0
95.08609	22.0
97.06525	9.6
97.10157	2.3
97.60010	1.8
99.04465	4.7
103.32603	1.9
105.07035	36.8
107.04935	2.5
107.08592	44.3
109.06524	6.0
109.10164	29.1
111.04411	5.5
111.08087	53.6
116.10724	5.8
117.07017	11.6
117.11115	3.0
119.06047	2.0
119.08591	36.1
121.06503	13.8
121.09329	4.2
121.10146	49.7
123.04430	5.9
123.08070	6.1
123.11727	4.9
125.05984	3.9
128.06227	1.9
129.06990	6.4
130.07793	2.4
131.08540	25.8
133.10152	28.1
135.04424	4.2
135.08078	5.7
135.11681	6.4
137.02376	4.7
137.09595	4.4
139.07526	5.7
142.07686	3.3
143.08603	7.7
145.10098	15.1
147.08002	3.6
147.11690	12.0
149.05949	2.6
149.09645	17.9
149.13251	2.5
151.03917	2.9
151.11182	2.5
153.09106	5.1
155.08530	2.4
156.09335	2.8
157.10126	7.2
159.08070	22.0
159.11679	10.8
161.09698	5.9
161.13234	7.2
163.11215	2.1
165.09070	3.9
165.12717	2.9
167.03410	5.4
167.10687	58.8
168.00565	2.6
169.10085	3.1
171.11665	8.2
173.09677	4.2
173.13268	4.5
175.11243	3.3
177.09129	5.7
179.10629	3.0
183.11726	3.0
187.11113	2.9
189.09154	2.3
189.12743	5.0
191.10672	9.9
197.13243	3.7
199.11186	2.4
203.10707	7.7
205.12273	9.1
215.10718	3.4
215.14410	2.8
215.17937	3.9
217.12260	17.9
219.13818	5.8
225.12766	3.0
229.12357	5.1
231.13766	4.1
233.15433	7.6
241.16022	2.5
243.06508	2.2
243.13885	3.3
253.19606	2.1
257.15518	4.8
257.18842	2.2
259.16946	21.7
271.06235	2.8
274.04742	4.7
281.18988	4.6
287.20059	57.9
288.20465	2.0
299.20023	27.8
302.04208	14.1
317.06595	82.3
317.17599	4.7
317.21216	47.8
317.24835	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	317.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01881	4.2
55.05514	6.1
56.05021	0.8
56.53157	0.8
56.96306	1.5
56.96567	22.7
57.03444	7.3
60.68432	0.7
61.02928	9.4
64.72684	0.7
69.03433	22.5
69.07059	0.8
69.45673	5.8
70.06586	3.3
70.98109	1.8
71.01360	0.9
71.04977	2.5
72.08158	4.3
73.02921	9.2
73.06559	7.2
77.78426	0.8
81.03416	5.2
83.02541	0.7
84.04507	8.5
84.08148	9.7
84.96035	4.5
85.02914	31.8
86.03200	0.9
86.09709	15.1
87.04493	4.0
87.05621	0.9
88.99156	0.8
91.03939	2.4
95.00730	0.8
97.02293	1.4
97.02898	17.3
98.21475	1.3
98.97590	45.6
99.04446	2.4
101.00800	1.0
101.02371	1.9
101.07138	2.4
102.96864	1.5
108.03487	0.7
109.02869	2.6
110.01286	2.6
110.97569	12.3
111.03904	0.9
112.99130	2.1
113.00866	0.9
115.03931	1.4
116.07074	2.0
116.98627	9.9
117.03937	1.0
119.01827	10.3
122.97589	1.1
124.53777	0.8
124.99135	2.0
125.03603	1.0
127.00701	2.1
127.01569	1.2
127.03923	14.4
128.02353	1.6
128.98608	8.1
129.02243	2.9
129.10223	3.9
130.04996	10.2
130.08640	1.3
131.00201	2.2
131.01852	3.0
133.06104	1.3
134.99680	1.2
136.93117	1.8
137.06044	2.0
137.07047	1.0
138.05467	1.0
139.01505	1.0
140.98634	5.6
143.00206	4.7
143.01758	1.4
143.11810	6.0
144.02576	1.4
144.98082	1.3
145.01718	4.0
145.04990	6.1
146.02321	1.4
146.04111	9.3
146.99670	3.0
147.03311	9.0
147.04396	1.6
147.07658	15.3
149.02861	1.0
152.02338	1.3
152.98625	2.2
154.94186	3.5
155.04663	63.4
155.54843	1.6
156.03455	1.1
156.98076	1.5
157.13332	1.9
158.99669	28.1
160.02101	1.0
161.01242	2.3
161.02872	2.6
163.02760	1.8
163.04005	1.2
164.05188	16.1
165.04335	2.8
166.55493	1.7
170.99670	5.2
171.03305	2.2
171.11362	0.9
172.95313	1.5
172.97557	1.2
173.02917	1.4
174.99141	2.9
176.05171	1.0
177.00723	15.4
182.03342	4.2
182.05011	1.3
182.99597	1.3
185.12888	1.1
187.04559	0.9
188.05174	3.0
189.00682	5.1
189.04344	4.9
190.98657	1.7
191.03874	5.9
191.05719	3.6
193.00172	2.3
197.05557	1.3
200.04431	2.8
201.00688	4.5
201.04321	1.7
203.05812	2.4
206.06223	2.1
207.05318	1.2
208.99678	0.8
209.05734	1.3
214.96309	1.4
217.00165	2.0
218.06284	4.9
219.01782	17.3
226.05917	0.9
227.06776	100.0
227.56950	10.2
228.05640	3.0
231.05527	1.6
235.01227	1.8
236.07312	71.9
236.57411	6.6
237.02878	9.0
247.58176	1.4
256.58688	1.1
272.06625	1.0
273.02560	2.0
274.97586	1.3
279.03885	0.9
280.01382	0.8
284.58868	1.5
291.07483	13.1
302.04102	1.2
309.05167	1.5
309.08578	25.1
310.09027	1.4
317.02145	1.1
317.06381	2.3
317.10046	2.8
317.21777	2.8
335.00162	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20884	0.8
55.01870	2.6
55.05519	2.8
59.39387	0.9
67.05510	30.6
69.03424	1.5
69.07056	1.2
70.91185	1.8
71.04956	1.2
79.05500	2.7
80.99233	0.8
81.07061	21.3
83.04995	0.9
85.06535	1.2
91.05484	2.5
93.07038	6.2
95.04942	4.5
95.08616	13.0
97.06527	1.5
99.00797	1.2
99.04459	1.7
99.08112	2.1
105.07042	1.0
107.08597	2.0
109.06514	1.9
109.10162	83.4
119.08581	3.2
121.10130	2.2
123.04456	1.2
125.05994	8.3
137.09624	100.0
149.10100	0.8
155.10675	36.3
161.00957	0.8
165.09123	76.8
183.10172	17.9
201.11243	25.5
281.10297	1.3
317.06500	7.3
317.21295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03946	2.5
53.55405	1.4
55.01866	3.8
55.05516	12.7
57.07064	4.9
59.04993	5.0
65.03930	2.4
66.91301	1.5
67.05512	43.0
69.03423	4.8
69.07060	4.2
71.04980	2.7
79.05496	9.6
81.07065	26.8
83.04974	4.3
83.08614	5.2
85.06552	2.7
87.04422	1.7
88.07610	1.8
91.05489	13.4
93.06573	1.8
93.07063	19.8
95.04977	26.5
95.08616	17.8
97.06528	5.5
98.21481	3.1
102.09171	1.7
105.07040	18.6
107.04955	2.3
107.08601	39.0
109.06516	19.2
109.10162	68.8
110.58229	1.5
113.09628	1.9
117.07047	4.7
119.08585	48.5
121.06493	7.4
121.10155	8.1
123.04458	1.8
123.08065	24.8
125.05997	3.2
131.08565	6.5
133.06505	2.6
133.10191	7.7
135.08081	12.7
135.11697	1.8
135.98389	1.5
137.09627	61.0
139.07597	2.3
142.07848	2.5
143.08572	4.2
145.10162	10.6
146.07286	1.6
147.08026	5.4
147.11705	5.7
149.09624	7.1
151.07549	57.3
153.05450	4.7
155.10683	1.6
156.09308	3.8
157.10126	3.0
159.08063	4.7
159.11678	4.5
161.09628	7.9
161.13278	3.0
163.11165	5.2
165.09175	7.5
171.11673	5.8
173.09668	3.2
173.13184	2.5
175.11201	3.5
177.09134	3.1
177.12746	1.7
179.10706	1.9
181.08595	4.3
181.12320	1.9
183.11696	3.2
185.13252	3.4
187.11186	1.7
188.41408	1.7
189.12761	25.9
191.10609	2.2
197.13393	2.2
199.11177	4.5
199.14754	2.0
201.12831	2.2
207.13805	26.1
207.15695	2.0
215.14355	4.7
217.12306	2.2
221.15501	3.8
225.12816	2.3
229.01817	1.5
233.15262	3.7
237.14847	6.3
239.17851	1.6
243.13766	8.7
247.16887	1.9
256.26443	2.4
261.14801	4.4
281.18988	4.2
299.20068	13.7
317.06387	1.7
317.21136	100.0
318.21536	2.4
318.30063	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	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.44450	0.1
52.09111	0.1
53.03941	0.1
55.01857	0.1
55.16870	0.1
65.03938	0.4
67.01858	0.3
67.05488	0.2
68.99789	0.1
69.03437	0.1
69.37446	0.3
69.37869	0.3
81.03420	0.5
81.07047	0.2
91.05471	0.1
93.03385	0.6
93.07039	0.2
95.04974	1.3
95.08637	0.1
99.04458	0.1
105.07040	0.1
107.04945	0.1
107.08591	0.1
109.02886	0.4
111.04442	0.2
119.08569	0.1
121.02882	1.6
122.03705	0.1
123.00821	0.3
123.04435	4.0
123.05347	0.2
124.01577	1.1
124.05163	0.1
125.02357	1.1
125.05927	0.1
127.03922	0.2
128.06194	0.2
134.03610	0.3
135.04404	0.3
137.02354	4.9
137.03421	0.4
139.03918	0.2
141.05505	0.5
144.05728	0.2
145.02826	0.3
147.11650	0.2
149.02377	0.6
150.03123	0.4
151.03906	1.8
155.04912	0.7
159.07985	0.2
163.03928	1.0
167.03407	7.2
169.06451	0.2
172.05205	0.2
173.06033	0.1
179.01833	0.2
179.03394	2.8
180.04204	0.5
183.04440	0.5
184.05196	0.4
187.03891	0.2
187.07561	0.6
191.03401	0.2
191.07019	0.2
193.04932	0.3
197.04456	1.1
197.06056	0.2
200.04692	1.1
201.05508	0.3
205.08609	0.1
207.02925	0.2
208.03734	0.1
209.04471	0.3
211.03940	0.2
213.05553	0.2
215.07039	2.1
219.02887	0.3
219.06676	0.1
225.05591	0.1
227.06963	0.1
228.04158	1.3
229.05080	0.2
233.07997	0.4
242.05815	0.4
243.06551	6.1
245.04546	0.2
246.05264	0.1
253.05142	0.1
256.03677	0.8
257.04471	0.8
261.07556	0.9
267.15775	0.1
271.06039	3.1
273.03900	1.0
274.04730	6.6
284.03229	0.2
285.16632	0.1
288.06277	1.0
289.07086	0.3
299.05499	1.3
302.04239	3.9
317.06567	100.0
318.06915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
53.50713	0.0
54.15697	0.0
55.01868	0.2
65.03937	0.4
67.01874	0.3
67.05499	0.2
68.99805	0.1
69.03414	0.1
69.07063	0.1
69.41221	0.4
75.24619	0.1
78.62246	0.1
81.03426	0.3
81.07061	0.0
83.01328	0.1
85.34039	0.0
89.02382	0.1
89.47051	0.0
91.05456	0.1
93.03410	0.6
93.07048	0.1
95.01360	0.1
95.04373	0.1
95.04973	1.2
95.08647	0.1
99.04463	0.1
105.03387	0.1
107.01304	0.1
107.04941	0.1
108.02099	0.1
109.02894	0.3
110.03650	0.1
111.04450	0.2
115.05460	0.1
119.04957	0.1
121.02877	1.5
122.03659	0.1
123.00793	0.4
123.04433	3.9
124.01578	1.2
124.05247	0.1
125.02373	1.1
125.06013	0.1
127.03963	0.1
128.06213	0.1
129.06961	0.1
133.02798	0.1
134.03621	0.4
135.04401	0.2
137.02354	5.0
137.03418	0.4
139.03886	0.2
139.05496	0.1
140.04700	0.1
141.05472	0.4
141.07053	0.1
144.05721	0.3
145.02858	0.4
145.06450	0.1
149.02361	0.6
149.05972	0.1
150.03119	0.4
151.03915	1.8
153.05559	0.1
153.07008	0.0
155.04907	0.4
159.08063	0.2
163.03908	0.9
164.04608	0.0
165.01782	0.1
167.03410	7.2
169.06502	0.2
172.05191	0.2
173.02399	0.1
173.06055	0.1
177.01878	0.1
177.05545	0.1
177.09085	0.1
179.03409	2.6
180.04228	0.4
182.03725	0.1
183.04407	0.5
184.05215	0.3
185.04524	0.1
185.06015	0.1
187.03909	0.2
187.07561	0.7
191.01797	0.1
191.03343	0.2
191.07059	0.1
191.93071	0.0
193.05000	0.3
193.82855	0.0
195.03011	0.1
197.04437	1.0
197.06017	0.2
197.87508	0.1
200.04684	1.0
201.05475	0.2
205.08626	0.2
207.02910	0.1
208.03664	0.1
209.04388	0.4
211.03920	0.2
212.04796	0.1
213.05498	0.2
215.07036	2.6
217.05031	0.1
218.05945	0.1
219.02916	0.3
219.06567	0.2
221.04509	0.1
225.05473	0.1
227.03474	0.1
227.06952	0.1
228.04173	1.5
229.04994	0.2
233.08067	0.5
239.03296	0.1
242.05795	0.2
243.06540	6.5
245.04504	0.1
246.05301	0.3
253.04962	0.2
256.03729	0.7
257.04453	0.8
259.06018	0.1
261.07578	0.9
271.06027	3.2
273.03925	0.9
274.04727	6.7
284.03198	0.3
288.06284	1.1
289.07053	0.3
299.05475	1.1
300.06308	0.1
302.04218	3.8
317.06561	100.0
318.06943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.08801	0.3
55.01887	0.4
55.05516	4.4
56.05040	4.4
56.44714	0.3
57.03434	0.6
57.07077	3.3
60.04527	100.0
65.03939	0.4
67.05506	8.2
68.05029	0.5
69.07074	5.6
70.24936	1.1
71.05019	0.4
71.08637	0.9
72.04523	1.6
73.02928	0.4
74.06083	2.7
79.05492	4.0
80.05012	1.0
81.07058	8.3
82.06593	1.4
83.04979	0.5
83.08623	4.2
84.08124	0.3
85.10171	0.5
86.06094	0.8
87.04478	0.6
90.05558	1.2
91.05472	2.9
93.07050	3.1
94.06596	0.7
95.04971	0.6
95.08603	7.6
96.08124	0.9
97.06514	0.8
97.10176	1.8
98.06073	0.3
98.21220	0.7
99.53561	0.3
100.07629	0.4
100.11034	0.3
102.05564	0.5
105.07051	1.7
107.08583	2.2
108.08058	0.4
109.10163	3.5
110.19637	0.3
112.07580	0.6
116.07117	0.4
119.08568	1.6
121.10162	1.7
122.09685	0.4
123.08091	0.4
123.11713	1.3
133.10133	0.9
135.11717	1.0
137.09587	0.7
137.13303	0.6
143.04901	0.3
147.11717	0.6
151.07538	0.7
151.14836	0.5
155.14384	0.3
157.01656	0.3
161.13145	0.3
163.14928	0.3
166.73895	0.3
174.91513	0.3
219.74281	0.3
236.23679	0.5
245.22658	0.5
250.25319	1.4
251.23734	0.3
256.26352	0.7
262.25293	1.7
263.23825	0.5
268.26254	0.8
280.26361	12.8
298.27386	15.4
316.28455	59.1
317.06757	0.4
317.21097	0.6
317.28802	0.9
320.24826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.43484	0.1
54.11366	0.1
55.01862	0.3
55.05497	0.1
65.03932	0.5
67.01865	0.3
67.05529	0.2
76.52795	0.1
81.03401	0.4
93.03401	0.6
95.04969	1.3
95.33756	0.1
109.02861	0.3
109.10147	0.3
110.03623	0.1
111.04437	0.3
121.02872	1.4
123.00774	0.3
123.04433	3.6
123.05334	0.2
124.01570	1.3
125.02376	0.9
127.03922	0.1
134.03622	0.5
135.04439	0.3
137.02353	4.7
137.03419	0.4
137.06013	0.2
137.09589	0.3
139.03928	0.3
141.05432	0.5
145.02846	0.3
149.02336	0.6
150.03110	0.5
151.03918	1.5
155.04889	0.7
159.08052	0.3
163.03929	0.9
163.09019	0.1
167.03404	6.6
169.06546	0.2
172.05179	0.3
173.02406	0.1
173.05957	0.2
179.03391	2.7
179.27499	0.1
180.04213	0.4
183.04436	0.4
184.05251	0.4
187.03958	0.2
187.07544	0.8
191.03436	0.2
193.04955	0.3
197.04434	0.8
197.05966	0.2
200.04701	0.9
201.05441	0.1
205.08575	0.2
207.02821	0.2
209.04375	0.3
213.05424	0.3
215.07048	2.6
219.02953	0.2
219.06551	0.2
225.05479	0.1
228.04204	1.6
229.05000	0.2
233.08165	0.6
239.03326	0.1
242.05702	0.2
243.06525	6.1
245.04253	0.1
246.05270	0.2
256.03696	0.8
257.04361	0.8
261.07568	0.9
271.06003	2.9
273.03973	0.9
274.04727	6.0
284.03299	0.2
288.06213	1.1
289.06815	0.2
299.05505	1.3
302.04218	3.9
317.06549	100.0
318.06882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
51.02387	0.1
55.01876	0.2
55.35627	0.1
61.46168	0.1
64.40046	0.1
64.46790	0.1
65.03938	0.3
66.47144	0.1
67.01858	0.2
67.05495	0.2
68.99787	0.1
69.03416	0.1
81.03420	0.4
81.07071	0.1
83.01398	0.1
86.09707	0.1
93.03417	0.6
94.04110	0.1
95.04979	1.1
95.08609	0.1
95.11184	0.1
98.21613	0.1
99.04441	0.1
105.03416	0.2
107.04950	0.1
109.02885	0.3
109.10115	0.1
110.03630	0.1
111.04445	0.2
118.66869	0.1
121.02875	1.6
123.00816	0.5
123.04438	4.3
124.01584	1.5
124.05178	0.1
125.02351	1.0
125.05991	0.2
127.03927	0.1
128.06174	0.1
134.03607	0.4
135.04448	0.3
137.02356	4.6
137.03421	0.4
137.09592	0.1
139.03905	0.3
139.05411	0.1
141.05455	0.4
144.05710	0.3
145.02869	0.3
149.02361	0.7
150.03120	0.3
151.03912	1.8
155.04927	0.5
156.05717	0.1
159.08063	0.3
161.02260	0.1
163.03920	0.8
165.09097	0.1
167.03409	7.2
169.06508	0.2
172.05254	0.2
173.02419	0.1
173.05957	0.1
177.05540	0.1
179.03406	2.7
180.04224	0.5
183.04378	0.6
184.05228	0.3
185.06070	0.1
187.03952	0.2
187.07564	0.6
191.03419	0.2
191.07079	0.1
193.04980	0.3
197.04430	1.1
197.05997	0.2
200.04694	1.2
201.05539	0.2
205.08624	0.3
207.02917	0.1
208.03642	0.1
209.04485	0.3
211.03929	0.2
213.05482	0.2
215.07045	2.9
215.09154	0.1
218.05830	0.1
219.02892	0.3
219.06543	0.2
225.05414	0.1
227.03250	0.1
227.06987	0.2
228.04170	1.5
229.04991	0.3
233.08012	0.4
239.03386	0.1
241.05107	0.1
242.05736	0.2
243.06535	6.3
245.04419	0.1
246.05252	0.2
250.27765	0.1
253.05133	0.2
256.03723	0.8
257.04428	0.6
260.06677	0.1
261.07596	0.9
271.03055	0.2
271.06024	3.1
272.06705	0.1
273.03961	1.0
274.04730	7.3
284.03235	0.2
288.06293	1.2
289.07053	0.3
299.05548	1.4
302.04233	3.7
313.49744	0.1
317.06567	100.0
318.06958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
50.90631	0.3
55.05509	1.4
55.41692	0.3
56.05027	0.5
60.04530	5.5
64.82819	0.3
67.05486	0.4
69.03445	0.4
69.07072	4.3
70.02950	0.5
70.06597	19.9
71.16036	0.4
71.16357	0.4
72.08159	16.0
81.03456	0.3
81.07095	0.4
84.04485	0.8
84.08149	1.9
85.02900	0.6
86.09709	100.0
87.05595	4.0
88.03986	0.4
91.05495	0.6
93.07048	0.4
108.08146	1.5
109.10171	0.4
110.07147	0.6
116.07099	49.7
122.03612	0.3
124.07597	1.0
128.10727	2.4
129.10252	0.7
130.05048	0.4
130.06583	0.5
136.07607	0.8
137.06007	1.6
138.06348	0.8
154.08646	7.2
154.13127	0.3
156.07458	0.4
163.03853	0.6
166.80251	0.3
170.37062	0.3
171.14937	5.0
173.12868	22.8
188.07033	0.4
199.14395	3.6
199.18065	24.9
201.12376	6.3
203.11983	0.4
203.13905	7.2
211.86790	0.3
217.15495	0.8
227.17552	14.6
227.19821	0.7
294.46619	0.3
316.14667	0.5
316.22098	0.5
316.71667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09938	0.4
56.05042	0.6
57.19779	0.4
67.05513	0.9
69.03426	0.7
69.07079	1.1
70.06604	2.4
71.04996	0.7
71.51703	0.5
72.08149	1.1
79.05520	0.5
81.07053	1.7
84.04504	3.0
84.08141	1.4
85.06557	0.5
86.06074	1.9
86.09710	100.0
87.04459	1.0
91.05517	0.6
93.07049	0.9
95.08614	0.7
98.06067	2.9
102.09180	0.6
118.06573	0.6
119.14313	0.4
120.08115	0.6
121.06519	2.0
124.07610	0.7
125.07099	0.5
130.06544	4.0
132.08113	2.5
132.10217	4.8
137.05998	1.1
138.09166	0.7
144.08122	0.7
146.06010	2.8
151.11237	0.7
154.04961	0.8
157.13370	54.8
158.11720	1.1
159.09172	1.7
166.08684	0.8
168.13811	0.4
170.06033	0.9
173.88010	0.4
185.12863	28.8
187.08754	0.6
188.07077	5.4
203.13823	0.7
205.09726	1.3
236.16528	1.1
245.18625	3.3
270.12534	2.3
272.15762	0.3
272.18576	7.6
287.05396	1.1
298.21497	0.4
316.04306	0.5
316.13062	1.8
316.21194	3.9
317.06378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	Ala Leu Leu
Peak:m/z	Relative Intensity
55.01879	0.4
55.05515	0.4
56.05039	0.5
63.08913	0.3
63.17508	0.3
69.07074	4.9
70.06601	1.3
70.61637	0.7
72.08157	0.9
81.07055	0.7
83.73568	0.3
84.04504	0.7
84.08150	1.8
86.06069	0.4
86.09711	100.0
87.10032	0.5
89.07173	0.5
91.05494	0.6
93.07053	0.8
95.08636	0.5
97.02871	0.5
107.08623	0.5
114.09202	0.4
116.07119	0.5
118.03712	0.4
120.06523	0.4
121.06509	0.8
121.10236	0.4
129.10239	0.8
130.06526	0.4
132.10204	4.6
135.08028	0.5
137.02412	0.4
157.13376	60.8
158.13821	0.4
177.05470	0.5
178.05788	0.4
179.06062	0.7
185.12872	24.9
203.13918	1.9
245.18610	1.4
281.14001	0.4
291.86597	0.4
316.14407	0.6
317.06558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.85144	0.5
55.05507	2.4
57.07069	0.6
60.04524	4.1
65.81542	0.5
67.05489	2.4
68.05015	2.0
69.07076	2.9
70.06597	8.5
72.08173	0.6
80.05047	0.8
81.07066	5.0
82.06604	0.5
89.18737	0.5
91.05479	2.5
93.07056	2.0
95.08608	3.9
96.08130	1.0
100.07614	4.8
105.07037	18.5
107.08595	4.1
108.08124	0.9
109.10164	2.4
114.05524	2.1
114.09179	0.5
116.07124	0.6
117.07008	2.0
118.48715	0.5
119.08576	9.0
121.10134	1.8
121.19576	0.5
122.09663	1.9
128.07089	5.9
129.07091	0.5
131.08569	2.7
133.10132	8.0
135.11650	0.6
142.08665	4.0
143.08641	0.5
145.10124	6.7
147.11710	5.3
148.11209	0.9
154.08612	2.6
157.10190	0.7
159.11703	4.1
160.12489	0.9
161.13290	1.1
168.10201	14.4
168.11540	1.0
171.11737	1.1
173.13287	1.7
175.14830	8.8
178.08682	3.0
187.14636	0.7
188.14349	0.6
192.10263	0.6
193.11070	0.9
194.11722	1.5
201.16432	5.2
202.16063	1.1
203.17868	1.4
214.00700	0.5
232.13196	0.8
233.13963	0.8
246.14980	0.6
247.15704	1.3
256.20547	1.4
260.16525	1.6
273.17334	0.6
286.18005	8.5
298.27274	1.1
301.20380	3.5
302.04214	0.6
315.70560	0.5
316.22739	100.0
316.28006	4.8
317.06705	2.9
317.23169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
55.38488	1.9
56.96571	72.9
57.03424	2.3
61.02923	3.7
61.13011	1.9
65.59105	2.0
69.03431	3.2
70.02039	8.6
70.06602	14.2
70.98129	52.5
71.95279	3.8
72.08156	5.9
73.02892	3.1
74.64510	1.8
84.04523	2.4
84.08147	6.9
84.96064	4.2
85.02908	6.1
86.09710	5.6
88.99152	15.4
89.03891	2.3
95.06112	3.7
97.02879	4.5
98.96950	3.5
98.97590	61.9
98.98211	4.3
101.00840	2.8
102.05528	3.8
110.97559	11.6
112.99152	2.5
113.00893	1.9
114.71039	1.9
116.07100	10.8
116.98623	17.4
117.03387	2.5
119.01868	2.6
121.06507	1.9
127.02394	2.1
127.03925	2.3
128.98615	19.5
129.10219	2.6
131.01907	3.5
134.02338	2.0
135.04417	2.1
135.06796	4.2
136.06203	14.2
136.07587	7.2
137.05980	7.3
143.00163	3.0
146.99695	15.1
154.08556	4.1
154.96541	27.5
158.99715	6.8
163.03928	16.7
165.00722	6.7
165.07454	4.5
172.94377	4.8
172.97598	89.1
173.12830	2.9
173.60500	2.0
174.99156	5.1
175.97777	3.6
177.00803	4.4
186.99210	3.6
188.97183	4.6
190.98650	75.8
193.00305	2.8
200.97073	9.7
205.00218	12.8
208.99707	9.7
209.02954	2.8
214.98634	14.3
218.98143	25.9
221.02963	7.3
223.01283	6.9
232.99719	100.0
235.02963	3.7
236.07655	2.0
236.99271	5.5
237.02863	3.5
239.04115	2.7
247.01196	4.1
251.00763	46.8
256.01498	3.8
256.96515	5.8
257.05176	6.8
262.05518	2.6
269.01797	2.9
274.97522	28.3
275.00778	16.6
275.03845	3.9
291.97363	4.2
292.98532	15.6
293.01855	11.2
293.04837	3.7
298.12869	9.0
311.05984	4.1
316.07913	15.6
316.13751	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37054	0.3
56.05043	0.3
56.96560	0.4
58.99602	0.4
59.77836	0.3
60.04558	0.4
67.04250	4.2
69.53649	0.9
69.54079	0.8
70.06592	1.8
72.08152	0.6
73.01144	0.8
74.00666	2.8
81.07059	0.3
84.04505	0.6
84.08142	1.1
85.02907	0.3
86.00680	0.5
86.09719	1.1
98.97592	0.4
100.02208	100.0
101.02451	0.3
102.05547	1.1
114.05547	0.5
116.07089	1.6
119.82703	0.3
127.68791	0.3
129.04846	0.5
129.10310	0.4
130.05003	1.2
132.01152	0.8
136.07616	0.7
138.05518	0.4
146.02713	0.4
154.08656	1.0
157.04318	2.9
158.02769	2.6
168.04778	0.3
170.02773	0.6
173.12883	0.7
175.05374	2.0
183.08038	0.3
185.03827	0.6
196.04308	0.4
203.04866	48.5
213.06935	19.7
221.00908	0.3
270.11472	0.3
281.02957	0.3
298.08932	0.4
316.09628	21.9
317.06583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06746	0.4
55.05507	0.8
56.96572	0.5
60.04526	11.6
61.82630	0.5
65.06033	0.6
67.05496	0.5
68.05051	0.6
69.07071	1.7
70.02952	0.6
70.06596	40.9
70.63603	1.2
71.05000	0.4
72.04549	0.7
72.08158	12.2
72.93786	0.5
81.07088	0.5
82.36290	0.4
84.04511	2.4
84.08148	3.9
86.09710	62.0
87.05594	8.4
87.10023	0.6
90.20123	0.4
91.05489	0.6
102.05581	0.6
105.33902	0.5
107.08609	0.4
116.07098	100.0
128.10721	5.8
129.10260	2.7
130.06583	0.6
132.95828	0.5
136.06320	0.5
136.07578	0.7
137.05995	0.7
138.09163	0.8
150.96864	0.9
154.08635	1.2
167.39020	0.4
169.29782	0.4
171.14905	3.2
172.09695	1.4
173.12871	46.7
183.11319	0.6
188.07103	0.6
192.22121	0.5
199.14491	2.2
199.18045	4.1
201.12366	11.5
203.13927	1.4
227.17563	3.1
253.08600	0.5
253.16573	0.5
270.11530	2.5
274.01447	0.9
299.09549	0.7
316.11591	2.9
316.17435	2.6
317.11993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66105	0.4
55.01880	0.5
55.05508	2.3
56.05043	1.3
57.03424	0.6
57.07093	0.5
58.06596	0.5
60.04527	1.4
62.06090	2.2
67.05508	2.8
69.07063	1.5
70.02953	1.7
70.06597	1.7
71.07383	0.5
71.08238	0.8
71.08632	15.1
71.51718	0.8
72.08148	2.3
79.05494	1.6
81.07058	3.1
84.04512	3.3
84.08150	1.7
85.02906	9.9
86.06069	3.4
86.09709	8.9
88.03983	0.6
91.05482	1.2
93.07048	5.0
95.07366	0.8
95.08611	20.0
96.08106	2.3
97.06533	1.6
97.10201	0.6
98.09695	5.6
98.97588	3.2
99.08101	5.6
99.08701	0.7
100.07645	0.8
103.03936	0.7
103.05503	0.4
105.07039	0.8
105.61516	0.4
107.08600	0.9
108.08117	3.5
109.08903	0.4
110.09666	2.3
111.08092	1.9
116.10737	24.1
116.98621	0.6
119.08580	1.2
121.06507	5.7
121.10133	0.7
122.09684	4.8
123.08087	0.7
124.07557	0.7
125.05045	0.4
128.07091	0.9
130.39827	0.4
136.07605	0.5
136.11208	2.5
137.02434	0.5
137.05969	0.9
138.09128	0.7
139.07561	1.1
140.10724	0.9
142.12277	3.0
143.10698	19.8
143.11787	3.7
144.10143	0.6
146.11771	4.8
152.14417	0.7
154.04982	1.4
154.12227	0.7
154.15956	1.0
156.10248	0.7
158.99617	0.6
164.10715	0.9
166.15935	1.0
171.11273	1.1
182.11778	3.4
196.16992	2.3
200.12820	100.0
201.13194	0.7
214.18025	41.5
214.83510	0.4
218.13882	13.7
219.06519	0.8
231.96545	0.5
243.06505	0.6
244.08461	0.6
272.20010	1.4
298.16766	0.9
298.20074	13.8
298.23712	3.0
316.10300	0.8
316.21161	28.7
317.06525	7.7
317.21329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01868	2.0
55.05518	6.2
57.03438	11.8
57.07079	1.3
59.05013	1.3
65.03944	1.1
67.05511	6.8
69.03132	1.0
69.03436	10.4
69.07075	27.3
71.04980	3.6
72.08166	1.4
77.18175	0.8
79.05492	21.7
79.11942	0.9
79.12418	0.9
81.07064	59.2
83.04993	2.0
83.08636	2.3
85.06533	4.3
86.06089	1.1
86.09701	1.1
89.03928	1.1
90.04289	1.0
91.05486	12.2
92.05783	1.5
93.07052	35.3
95.04963	3.3
95.08615	15.5
97.06555	10.1
99.04476	1.4
103.05489	2.4
104.05833	1.1
105.07040	18.9
107.08607	91.3
109.05814	2.0
109.06532	38.4
109.10175	4.5
111.08100	1.6
111.11702	3.5
117.03371	4.4
117.07024	3.6
118.03715	3.9
119.08587	6.2
119.88782	1.0
121.06508	13.0
121.10152	27.3
122.06858	8.7
123.08083	7.0
125.09634	2.8
130.07838	2.2
131.08582	1.2
135.11708	51.5
137.09599	4.2
137.13202	5.0
139.11206	21.5
143.08574	1.8
145.02841	10.4
145.10139	18.4
146.03212	8.0
147.08058	1.3
149.05975	1.6
153.12772	9.9
163.11198	83.2
177.05489	16.8
177.06923	1.8
178.05833	20.4
181.12251	100.0
186.05984	1.0
198.11198	1.1
199.11589	2.8
199.13306	8.1
216.12329	1.8
217.12680	2.0
283.09705	4.2
287.13757	1.0
315.09131	1.8
315.14276	18.7
315.18011	1.3
315.19623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.253
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.19196	1.9
53.03933	2.6
55.05517	100.0
57.03442	2.8
57.07073	3.4
60.04525	4.7
65.93385	2.0
67.05508	11.7
69.07065	9.5
71.04997	3.1
71.53149	3.1
78.68806	2.1
79.05491	5.9
81.07073	28.2
83.05008	3.5
83.08628	93.9
85.06538	5.1
85.10160	2.0
88.07603	3.5
91.05473	7.4
93.07016	11.8
95.08611	29.6
97.06544	10.0
97.35628	1.8
99.08089	6.0
105.07059	14.1
106.08678	4.1
107.08595	6.0
109.10156	6.3
111.04469	4.2
111.08112	3.3
117.07054	2.1
119.08575	16.1
121.10166	7.6
123.08119	3.3
131.08601	4.0
131.49103	2.1
133.10133	9.9
135.11661	5.1
137.09604	2.7
137.13266	7.3
145.10081	3.2
147.11710	2.3
158.34979	2.2
161.08430	2.1
161.13264	37.2
179.14311	29.7
197.15359	37.3
213.84169	2.1
215.16437	12.8
256.21280	2.7
279.22604	2.4
283.99765	2.5
301.19342	2.4
315.08365	4.8
315.23230	3.2
316.28705	4.6
316.32150	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	315.1341
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
53.03943	0.9
55.01860	0.6
55.05507	1.1
56.96537	0.5
57.03422	0.7
57.27271	0.5
58.76192	0.4
62.97521	0.5
65.03944	0.9
67.05506	2.5
69.03421	1.4
69.07064	1.1
70.06582	1.1
71.04977	0.7
71.52693	0.6
72.08167	0.8
78.04696	0.5
79.05484	3.0
80.05009	0.7
81.03419	0.9
81.07069	2.3
82.06575	0.7
83.04974	0.9
84.08119	0.4
85.02913	0.7
86.09704	0.8
91.05463	3.1
92.06254	1.8
93.07040	2.1
94.06573	5.6
95.04969	0.6
95.08589	1.3
96.08137	2.3
97.02904	0.8
97.06562	0.6
103.05437	0.9
103.80907	0.4
104.04984	7.6
105.07038	3.5
106.06562	3.4
107.04955	0.6
107.07322	1.4
107.08595	2.1
107.68647	0.4
108.08137	0.9
109.06504	1.2
109.10168	0.8
110.06010	0.8
116.07069	0.7
117.07012	0.8
117.93051	0.4
118.06541	3.6
119.07320	5.3
119.08602	1.0
120.05757	1.1
120.08134	2.1
121.06488	1.2
121.10130	1.3
122.06039	4.5
122.09647	0.9
123.06782	0.5
124.03963	0.9
124.07593	10.4
133.10115	0.5
134.05995	0.7
135.11679	1.7
135.22169	0.4
136.07608	0.8
138.05487	2.7
138.09105	0.7
145.10143	0.7
146.06026	2.8
147.06801	6.7
148.07567	1.8
150.05479	3.2
150.09087	0.6
152.07130	2.2
158.09653	0.6
162.05502	2.0
163.11147	1.2
164.07100	3.8
165.07945	1.0
166.08691	2.9
168.06570	14.4
168.07991	1.1
176.07152	0.6
178.05762	0.7
180.04968	0.9
180.06563	15.0
181.12321	1.0
182.09604	1.0
184.11255	0.6
185.10739	1.3
186.11545	0.8
192.06561	29.5
192.10196	1.9
193.07312	3.3
194.08115	6.5
194.09702	0.7
197.10753	0.6
199.08577	0.9
199.12292	2.1
200.13100	0.6
205.12326	0.5
210.09117	1.7
211.09932	1.0
212.09467	1.2
213.10216	6.5
214.11037	1.2
215.11839	0.7
223.08856	0.5
225.10312	1.7
227.08163	1.0
227.11792	7.8
228.12589	1.8
238.08568	0.6
240.08904	1.2
241.09729	26.7
242.10503	1.6
243.11214	1.0
244.13322	1.6
245.12888	0.9
251.11790	0.8
252.12537	1.1
253.09688	1.1
253.13379	0.6
254.10509	1.3
255.11310	10.2
256.12094	2.0
258.10004	0.7
259.14365	2.6
269.08893	0.7
269.12854	1.4
270.11218	1.3
271.10712	0.9
272.11664	1.4
273.12357	7.0
285.08734	0.8
285.12286	0.6
287.13901	10.2
297.12381	2.8
298.10739	1.2
299.10312	4.2
300.11057	22.9
315.13385	100.0
316.13889	1.0
337.81876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
55.05523	1.5
56.05032	0.5
57.03460	0.4
60.04527	0.9
61.03903	0.4
61.86503	0.3
62.06090	4.8
67.05516	1.4
69.07082	0.7
70.02970	1.3
70.06615	0.7
70.66782	1.2
71.05022	0.5
71.08637	13.3
72.08160	1.7
73.02927	1.9
79.05511	1.7
81.03422	0.5
81.07061	6.4
82.06596	0.6
83.08625	0.5
84.08165	0.7
85.02926	0.6
86.06073	24.1
86.09717	0.6
88.03989	0.5
91.05494	2.7
93.07050	2.6
95.08617	2.0
96.08139	2.6
98.09716	3.2
99.04469	0.7
99.08105	4.9
100.07646	1.1
101.02393	5.5
107.08579	1.0
108.08125	3.0
109.06519	11.7
110.09724	0.7
111.08084	7.5
114.09174	0.8
116.10739	13.4
119.08601	0.8
120.08128	0.6
121.06489	2.3
121.08896	0.9
122.09706	0.5
123.00861	0.4
123.08101	0.4
124.07613	0.7
124.11274	0.9
134.09660	3.5
135.08118	0.5
137.06001	6.8
138.09158	1.4
142.08672	1.6
142.12271	2.7
143.10681	12.1
145.02834	1.3
145.04997	0.4
152.10718	3.6
155.07065	0.8
160.13373	1.4
162.09161	0.6
170.11778	7.5
177.05482	2.3
180.10210	3.6
183.39603	0.4
184.13266	0.5
198.11269	100.0
199.11588	0.4
200.09164	0.8
214.18034	2.3
216.12326	74.1
217.12601	0.5
296.18619	5.1
299.11523	0.5
314.14267	2.2
314.19592	19.4
314.29822	1.1
315.08694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89508	0.2
53.03941	0.3
55.05515	1.7
57.03436	0.5
57.07069	0.8
61.75066	0.2
61.90988	0.3
62.82130	0.2
65.01909	0.2
67.05182	0.4
67.05511	5.7
69.03450	0.5
69.07077	1.3
70.25681	0.4
70.26071	0.5
71.05007	0.4
79.05508	1.9
80.06330	0.2
81.07067	6.4
83.04962	0.4
83.08630	0.7
85.02908	0.5
86.09689	0.4
91.05484	1.0
93.07055	3.3
93.87913	0.3
94.04054	1.6
95.04970	1.0
95.08616	7.4
97.06535	0.9
103.05449	0.3
105.07032	1.4
107.08613	1.3
109.06519	1.0
109.10162	3.0
111.08098	0.3
116.65494	0.2
117.07035	0.4
117.63732	0.2
119.03574	2.7
119.08588	1.9
121.06513	0.9
121.10152	0.8
122.10458	0.3
123.08078	1.1
131.08545	0.4
133.10117	0.8
135.11705	0.5
136.06198	100.0
137.04581	1.3
137.09619	0.8
138.05467	0.3
145.02844	0.7
151.14832	1.2
159.23752	0.2
161.13277	1.9
162.07846	0.7
177.05447	1.4
179.14322	4.9
190.10831	0.6
214.18065	0.7
314.13904	1.4
314.19781	36.3
315.20187	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	314.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
55.05298	0.2
55.05519	2.0
56.05027	0.2
56.96553	0.3
57.03429	0.6
57.07067	0.7
60.04530	1.1
65.03971	0.4
67.05510	6.2
69.03415	0.4
69.07064	0.9
69.31846	1.7
71.04998	0.3
71.08613	0.3
79.05491	1.8
79.82153	0.2
81.03417	0.3
81.07053	3.4
83.04980	0.8
83.08624	0.4
85.02899	0.3
85.06525	0.3
87.77163	0.2
88.11266	0.9
91.05492	1.2
91.19470	0.2
93.07043	2.1
94.04057	1.6
95.04447	0.2
95.04970	1.1
95.08610	7.4
97.06533	0.8
103.70069	0.2
105.07036	1.4
107.08589	0.9
109.05138	0.3
109.06521	0.6
109.10166	3.8
111.04446	0.7
111.08104	0.3
117.07043	0.3
119.03563	2.5
119.08621	1.1
121.06517	0.4
121.10150	0.4
123.08083	1.0
125.05991	0.2
128.06177	0.2
131.08553	0.2
133.10167	0.2
135.11703	0.3
136.06189	100.0
137.04572	1.4
137.09630	0.8
145.10139	0.2
148.06165	0.2
148.62866	0.3
151.14804	1.6
153.12729	0.4
161.13298	0.4
162.07765	1.0
163.11200	0.5
177.05466	0.5
179.14290	1.8
181.12207	0.7
190.10867	0.6
200.80626	0.2
227.12679	0.3
251.05217	0.2
272.73459	0.2
296.22415	1.2
296.25458	0.3
298.10834	0.5
314.19748	39.7
315.19922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1389
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03942	1.6
53.81390	0.3
57.01991	0.4
58.66430	0.4
69.19785	3.6
77.03918	0.5
84.88091	0.4
85.65710	0.4
88.32905	0.3
89.03918	4.7
91.05485	6.5
93.07049	11.0
93.07639	0.6
95.04980	1.8
103.05476	9.1
105.04514	1.1
106.04191	0.7
107.04948	0.4
117.02525	0.5
117.03387	19.7
121.06510	50.6
134.03629	0.7
135.04410	0.6
136.85704	0.3
145.02852	49.7
145.30740	0.4
149.06000	4.9
151.07541	0.4
163.03894	0.9
177.05479	100.0
178.05830	0.9
182.07057	0.6
182.57254	0.8
186.05518	1.0
194.08089	1.0
204.06752	0.5
314.07602	1.4
314.13858	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.36198	0.3
64.95955	0.3
67.05493	0.8
70.06580	0.4
71.52298	0.3
78.08717	0.3
79.05487	0.5
79.29639	0.3
81.07044	0.9
83.04971	0.5
83.08651	0.4
84.04494	0.5
86.06049	0.6
86.09682	0.3
87.04440	0.8
91.05484	1.5
93.07059	0.5
95.04961	1.0
95.08600	0.3
98.06046	0.6
104.07114	2.2
105.07004	1.2
107.04957	0.8
113.00028	10.1
117.05686	0.3
117.06998	0.5
118.06555	2.1
119.08562	0.6
129.06973	0.5
131.08582	0.6
132.08075	1.0
133.08942	0.3
133.10094	0.7
135.08049	0.4
139.01566	18.3
144.08092	18.0
145.08829	0.5
146.09612	0.8
147.11700	0.7
149.09616	0.6
151.11246	0.6
157.10072	0.7
158.09656	7.0
159.10437	2.0
160.11168	0.7
172.11234	5.2
173.12038	0.4
175.11171	1.0
176.14371	11.7
186.12820	0.6
192.16559	0.3
193.12291	1.0
202.15923	100.0
203.16209	0.5
220.16965	3.5
260.16595	0.4
278.17554	1.5
299.24841	0.3
300.13611	5.6
314.15186	68.7
314.19354	3.1
315.15579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47906	0.6
53.05066	0.6
55.05508	1.4
56.96551	1.8
57.03423	0.9
57.07078	0.6
61.02922	2.0
67.05515	0.9
69.03437	3.2
69.07069	1.0
70.06598	8.5
70.40500	1.8
70.40845	0.6
71.04980	1.2
72.08160	16.7
73.06561	53.7
74.06063	2.4
81.03413	1.3
81.07047	1.0
84.04511	1.7
84.08141	2.2
85.02901	11.0
85.06517	0.8
86.09712	1.9
87.04482	1.2
89.06037	20.3
89.73615	0.7
95.04961	0.9
95.06077	0.7
97.02900	4.1
97.67572	0.7
102.05565	1.7
107.05053	0.6
109.06541	0.9
110.07175	0.9
116.07098	12.3
117.09128	4.6
120.06574	2.5
121.06509	0.9
123.04434	0.7
127.03952	1.8
132.10187	1.0
135.10176	100.0
136.06175	1.4
137.05931	1.1
145.02881	0.9
145.04932	2.3
146.93422	0.6
148.05786	0.8
152.01703	0.8
152.07031	4.9
153.05518	3.9
163.03934	2.7
164.07019	0.7
171.14937	5.1
177.05554	1.5
189.05876	0.6
195.30083	0.6
199.14438	3.2
211.05571	1.5
215.14085	0.8
221.10109	0.7
268.14346	0.7
314.14169	1.3
316.76395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05511	1.2
55.14579	0.7
56.96566	28.4
57.03441	2.3
57.07074	0.8
61.02924	2.4
62.06092	1.1
67.05512	1.3
68.05028	1.6
69.03448	4.7
69.07080	1.0
70.06600	9.8
70.98136	1.4
71.04965	1.2
72.08160	3.0
73.02921	1.8
74.06055	1.0
74.97594	1.1
78.30288	0.6
79.05489	1.9
81.03425	1.9
81.07064	2.9
84.04504	2.1
84.08159	6.6
84.96049	2.0
85.02911	8.5
85.06555	1.9
85.08466	1.1
86.09707	1.8
87.04445	1.0
89.06035	2.5
91.05489	1.2
95.05013	0.9
95.06103	23.0
97.02892	9.2
97.07683	1.2
97.36900	0.8
98.06075	0.8
98.97598	17.2
99.04464	1.0
102.05537	1.3
105.03426	0.7
105.07037	1.0
106.32282	0.7
107.04980	1.4
108.08114	1.8
109.02875	1.6
110.07169	1.7
110.97578	3.1
112.07602	4.5
112.99144	1.1
115.00748	0.7
115.03857	0.8
116.07107	2.8
116.98627	8.1
117.05512	1.6
119.01866	1.6
119.04949	1.7
119.79965	0.7
120.08109	0.7
121.06478	0.9
122.97538	1.5
123.04443	2.6
124.04711	0.9
127.03928	3.0
128.98605	3.7
129.02277	0.8
129.10234	1.4
130.08614	3.6
133.02870	1.0
134.09663	2.6
134.99680	3.0
135.04440	1.8
135.06560	1.6
136.06207	13.5
136.07617	1.3
138.02257	1.0
140.07085	0.9
140.98590	5.2
142.01808	1.5
142.12267	0.8
143.00154	2.3
143.01871	1.0
144.10207	0.9
144.98091	1.4
145.01689	0.9
145.02776	1.1
145.04951	1.8
146.99670	1.8
147.03299	1.6
147.04408	1.5
150.99167	1.8
151.12331	0.9
152.07062	1.6
152.10706	3.6
155.04662	1.7
156.03333	57.3
158.99677	13.0
160.02818	1.3
160.06438	1.0
161.01251	1.8
161.02901	1.1
161.04591	0.8
161.05956	0.9
163.03949	7.4
165.05565	1.5
166.05902	1.2
168.03325	22.6
168.04715	1.6
170.99641	1.0
171.11360	1.1
172.09721	1.0
174.04402	45.7
174.99135	0.8
177.00735	9.4
184.02814	1.2
185.01192	1.2
186.04404	100.0
189.00642	1.0
190.98616	0.8
191.03891	1.0
192.05368	5.4
193.13383	2.9
195.01788	1.2
204.05458	65.7
205.03552	1.1
209.06030	3.0
211.14426	16.3
218.98248	0.9
219.01791	2.4
220.99599	1.4
222.06523	2.6
224.04425	1.4
227.06982	2.1
231.05553	0.9
235.01161	1.2
237.02863	2.3
248.99246	2.3
249.02870	2.0
250.03172	1.7
252.05460	11.4
252.20807	1.2
254.03951	1.1
268.04831	1.6
270.06519	27.4
270.19046	1.1
270.21765	13.8
272.04742	0.8
282.02917	1.0
286.05988	2.2
288.07593	2.0
291.00198	1.0
291.03845	1.2
296.04468	4.6
296.07712	1.8
304.58325	1.0
305.08084	0.8
314.05487	24.0
314.08951	2.4
314.12076	1.9
314.16214	3.8
314.20764	1.0
315.07568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02391	0.4
53.03953	1.7
55.01865	0.4
55.05507	0.5
59.55116	0.3
62.06099	2.1
67.05505	0.8
69.75361	1.8
70.06573	0.5
71.05004	1.5
71.08633	2.2
73.68380	0.3
75.15170	0.3
77.03937	0.5
79.05474	0.6
81.07057	1.3
84.08134	0.4
86.06071	3.9
86.09703	0.7
87.04500	0.4
89.03915	4.5
91.04920	0.4
91.05486	7.1
93.07052	9.9
95.04995	1.5
95.08627	0.4
98.09717	0.5
99.08097	0.6
100.07615	0.9
100.47719	0.3
101.02371	0.8
103.05473	8.0
105.04507	1.0
108.08138	0.5
109.06527	1.9
111.08092	1.0
113.09658	1.1
116.10737	1.8
117.03387	18.2
119.04970	0.4
121.06511	52.4
134.03647	1.1
134.09694	0.4
135.04434	0.9
135.08113	0.3
137.06012	1.2
142.08641	0.5
142.12259	0.5
143.10686	2.3
145.02853	49.8
147.04337	0.4
149.06001	5.2
151.07538	0.5
152.10748	0.7
162.03078	0.3
163.03883	0.8
164.07118	0.5
170.11812	1.0
177.05476	100.0
178.05832	0.4
180.10233	0.5
186.05513	1.1
194.08098	1.0
198.11276	14.0
216.12311	10.7
217.15269	0.3
282.20755	0.5
296.25958	0.4
314.13885	34.0
314.19232	3.4
314.23407	0.7
314.27225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2376
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03941	6.6
55.01857	20.7
55.05513	38.7
57.03427	7.7
57.07062	19.8
60.97045	4.7
67.05238	5.4
67.05508	54.3
69.03406	7.3
69.07083	30.1
69.25990	47.2
71.04984	6.6
71.08640	45.7
79.05502	31.9
81.03394	5.0
81.07053	68.9
83.04971	16.5
83.08624	29.0
85.06551	6.2
91.05482	26.7
93.07056	52.9
95.01556	4.8
95.04990	12.0
95.08131	4.7
95.08619	47.0
97.06547	29.3
99.08109	33.6
105.07017	31.5
107.08608	31.0
109.06519	12.4
109.10137	18.7
111.04443	7.3
111.08086	37.4
113.09658	5.1
119.08585	27.1
121.10154	54.5
123.08009	5.4
123.11725	8.7
125.09633	6.3
129.07016	5.3
131.08595	10.6
133.10162	31.5
135.11674	15.5
137.05925	8.7
137.09610	9.8
139.11139	6.1
145.10083	14.7
147.07915	8.2
147.11641	20.9
149.13257	20.5
151.11197	21.4
157.10136	13.6
159.11687	9.4
161.13254	14.2
163.11191	11.4
163.14928	6.2
165.12769	22.1
171.11684	8.1
173.61838	5.6
175.11130	7.2
177.12723	5.4
179.14346	19.6
193.15768	5.7
237.41345	5.2
238.59242	5.0
257.65045	5.0
259.20624	10.3
264.07114	4.5
277.21628	100.0
293.41061	5.2
295.22617	48.7
313.17996	31.9
313.21512	9.3
313.27353	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03945	4.9
53.86528	2.8
55.01878	23.5
55.05263	4.5
55.05511	53.5
57.03422	10.1
57.07068	11.2
67.03300	2.8
67.05509	85.9
69.03414	5.8
69.07076	40.3
71.04994	5.0
71.08641	20.6
71.51717	2.9
72.02927	3.0
72.08144	5.9
79.05497	54.3
81.03410	12.2
81.07066	88.0
83.04975	17.1
83.08621	36.4
85.02883	4.9
85.06564	6.7
86.09689	5.6
91.05488	36.0
93.07049	58.1
95.04955	14.4
95.08611	56.7
97.02873	6.5
97.06539	47.0
97.10178	18.9
99.08092	26.0
105.07034	36.9
107.08606	38.9
109.06509	7.2
109.10168	37.3
109.91620	2.9
111.08084	19.1
111.11703	3.2
113.09650	4.2
117.07023	9.5
119.08601	26.0
120.61148	3.2
121.06441	3.7
121.10137	28.5
123.08063	13.2
123.11695	12.3
125.09608	18.0
129.06975	9.4
131.08557	14.5
133.10165	20.3
135.07983	5.1
135.11664	22.9
136.06180	10.0
137.05969	19.5
137.09601	10.8
139.11182	21.2
143.08597	7.1
145.10123	9.2
147.08060	6.4
147.11691	25.4
149.09642	7.3
149.13261	28.3
151.03870	3.9
151.07571	3.9
151.11211	21.2
153.06946	3.6
153.12683	5.5
154.36392	3.3
155.08475	3.3
155.10622	4.9
157.10144	9.0
159.08086	3.5
159.11678	12.4
161.05975	5.4
161.13216	10.5
163.11171	5.5
165.12759	20.9
171.11584	6.8
173.11711	11.3
173.13168	6.0
175.11150	5.5
175.14902	5.2
177.12717	5.4
178.61223	3.5
179.14293	12.3
181.12212	7.6
185.13245	4.5
189.09198	3.4
189.11176	6.2
189.12752	3.7
193.12233	4.1
195.13824	23.7
199.07574	3.8
213.14754	5.5
217.08630	10.9
231.21014	7.6
241.19374	7.8
249.22148	10.6
255.21143	4.4
257.11588	3.8
259.20593	12.5
277.21628	100.0
295.22644	52.7
313.10992	4.4
313.14197	22.1
313.17871	13.0
313.21658	9.3
313.24765	4.7
314.19534	5.3
320.31714	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03939	8.8
55.01879	36.0
55.05514	69.7
57.03434	7.1
57.07069	5.8
67.05508	100.0
69.03423	10.1
69.06733	5.2
69.07076	58.6
69.61587	16.5
71.04973	6.0
71.08620	9.1
75.66632	3.2
79.05502	53.1
81.03402	11.8
81.07061	70.7
82.82270	2.9
83.04977	18.5
83.08624	29.8
85.06555	6.3
91.05483	28.2
93.06479	5.4
93.07046	59.7
95.04978	11.4
95.08613	54.6
96.49844	3.5
96.94948	3.3
97.06535	33.5
97.10170	35.3
105.07048	25.0
107.08595	36.5
109.06509	8.4
109.10161	65.3
111.08064	6.0
115.05448	4.1
117.07034	6.7
117.80527	3.1
119.08579	27.1
121.06505	5.2
121.10146	34.2
123.08084	22.0
123.11690	9.0
125.09630	34.1
129.06978	6.7
131.08560	9.5
133.10120	20.3
135.08061	6.1
135.11719	21.3
137.05994	9.8
137.09622	18.6
139.11183	48.6
143.08606	3.9
145.10094	8.4
147.11711	14.7
149.09653	4.6
149.13274	12.0
151.07614	4.9
151.11151	10.4
153.12726	6.0
155.10658	8.4
157.10085	3.1
159.08003	3.3
159.11681	6.4
161.05917	7.8
161.09621	4.9
161.13281	8.8
163.11166	4.7
165.09126	4.7
165.12759	8.5
167.14348	4.9
171.11661	4.4
173.11749	25.9
173.13257	7.5
175.11205	7.4
175.14838	4.0
181.12204	9.4
185.13275	5.2
189.09508	3.2
189.11237	18.8
193.12216	5.7
199.07509	5.7
217.08543	5.8
231.21140	6.1
241.12334	4.6
241.19505	8.7
249.22061	23.6
257.11783	4.2
259.20612	10.1
277.21625	83.6
295.22711	77.5
295.25861	6.8
313.07260	3.9
313.14355	9.8
313.17853	6.5
313.21582	8.0
313.27295	5.0
314.08670	3.1
335.07254	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.7
57.03165	0.8
57.03438	15.1
57.07079	42.9
62.06351	0.5
67.05181	0.7
67.05509	9.4
69.07072	7.4
69.88702	2.5
70.81535	0.4
71.08635	28.9
75.04459	0.7
75.83781	0.5
79.05498	0.8
79.93108	0.4
81.07062	11.1
82.84926	0.5
83.04968	0.6
83.08621	9.2
85.06553	0.9
85.10185	14.3
89.06023	2.0
91.05438	0.8
93.07063	1.2
95.08610	15.1
97.06541	0.5
97.10174	3.7
98.20761	0.8
99.11714	1.0
103.07583	1.3
105.07051	0.6
105.60210	0.5
107.08595	0.5
109.10152	7.5
111.11704	1.0
116.05405	0.4
121.10165	0.6
123.11738	3.2
125.09639	0.6
125.13268	0.7
135.11676	0.7
137.13261	1.6
161.43887	0.5
232.10226	0.5
239.23756	3.3
257.24744	3.5
273.52676	0.5
313.27377	100.0
314.27628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.7
54.47656	4.5
55.01881	8.9
55.05511	32.3
55.45266	4.7
57.07068	16.3
57.74122	4.7
60.30947	4.5
63.20557	4.6
67.05513	48.7
69.03424	6.4
69.07079	42.2
71.04981	14.9
71.08635	11.7
71.52751	4.5
71.53168	5.7
79.05493	35.1
81.03376	5.8
81.07065	58.1
83.04980	17.1
83.08605	19.0
85.06531	18.5
91.05489	42.1
93.07053	70.2
95.04959	39.5
95.08620	60.9
97.06548	15.2
97.10175	16.0
105.07044	68.6
107.08598	43.9
109.06554	11.6
109.10168	32.3
111.08064	5.8
113.09661	16.2
117.07030	10.3
119.08590	58.9
121.06499	23.1
121.10151	29.5
121.40455	4.4
123.08080	12.3
123.11694	12.6
125.09599	11.5
128.06241	8.2
129.07024	15.1
130.07784	8.3
131.08588	25.4
133.10153	49.6
135.08101	8.1
135.11670	11.4
137.06003	6.6
137.09613	10.6
139.11253	24.7
141.06985	9.4
142.07806	15.2
143.08571	28.7
144.09312	6.2
145.10129	74.6
147.08046	6.7
147.11713	15.9
149.09583	7.4
149.13364	6.1
151.11157	6.2
155.08513	11.9
156.09322	20.2
157.10152	36.5
158.10956	6.5
159.08026	5.8
159.11742	24.3
161.09653	7.7
161.13254	8.6
168.09413	5.7
169.10159	16.4
170.10947	8.2
171.11690	41.7
173.09627	14.0
173.13223	39.3
175.11211	9.2
175.14833	10.5
179.08583	18.6
179.14285	5.7
181.10220	7.6
182.10971	5.7
183.11699	30.7
185.13225	11.0
187.14752	9.1
193.10135	7.6
194.10931	13.4
195.11723	9.9
196.12503	6.6
197.13284	14.1
199.14825	17.3
207.11729	12.8
208.12288	6.1
209.13251	36.5
211.14859	15.9
215.14423	9.8
227.14307	18.1
229.15916	8.1
231.17397	10.8
235.14705	9.7
236.64143	5.1
239.14235	5.1
249.22495	5.7
255.17419	7.5
277.21646	21.5
295.20462	25.1
295.22833	21.2
313.18008	5.9
313.21646	100.0
313.27386	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05515	10.3
57.03412	2.9
57.07068	5.6
67.05507	21.6
69.07069	13.8
69.22570	3.5
69.22979	17.3
71.05011	2.4
71.08636	16.5
79.05500	13.4
81.03425	6.8
81.07059	17.4
83.04973	4.4
83.08624	5.2
85.02899	2.2
91.05487	9.7
93.07053	15.8
95.04970	9.2
95.08611	19.2
97.06550	5.8
97.10188	3.9
99.08073	10.1
103.05470	2.2
105.07042	6.3
107.08608	8.3
109.06569	3.6
109.10204	11.7
119.08597	8.9
121.10159	9.3
123.11736	3.7
129.07066	2.6
131.08588	3.5
133.10193	5.2
135.11760	2.5
137.05975	8.3
137.09596	6.5
143.08629	3.7
145.10130	4.5
147.11736	2.8
149.09698	2.4
151.11223	12.7
155.10686	3.1
157.10094	4.3
179.14372	4.4
189.09215	2.8
237.54459	2.0
268.26395	9.0
277.21649	38.8
283.26169	2.2
295.22733	100.0
313.21521	8.4
313.27261	5.6
313.32230	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03942	1.3
55.01875	1.8
55.05519	8.1
57.03426	1.1
57.07085	4.5
67.05509	15.3
69.03437	1.0
69.07072	9.1
69.27604	6.6
71.05007	1.5
79.05503	6.9
81.03427	6.8
81.07059	12.3
83.04982	4.5
83.08637	4.3
85.02918	1.2
85.06558	1.1
85.10185	8.8
91.05488	5.8
93.07057	9.1
95.04967	8.8
95.08631	7.7
97.06548	2.3
97.10170	4.3
97.30161	0.7
105.07063	5.8
107.04973	1.1
107.08604	7.0
108.82369	0.8
109.06522	2.0
109.10150	7.3
110.97801	0.8
111.08131	1.5
113.09650	6.1
117.07035	1.3
119.08614	2.2
121.10124	4.2
123.11758	1.1
125.09628	2.0
125.67194	0.7
127.53490	0.8
129.07019	0.9
131.08585	1.8
131.22023	0.9
133.10164	5.2
135.11658	0.9
137.05977	1.4
137.09621	1.1
145.10187	1.4
147.11710	2.8
148.00012	1.0
149.09657	1.1
151.11230	3.3
157.10162	1.3
159.16927	1.0
161.13240	1.4
163.11272	1.1
165.12784	12.4
170.91884	0.9
175.14877	1.2
179.14255	1.4
207.13867	1.2
231.21219	0.9
252.24722	0.8
259.20599	1.7
277.21643	28.0
280.21030	0.8
295.22705	100.0
313.21387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2899
Annotation	(plusmn)13-Azaprostanoic acid
Peak:m/z	Relative Intensity
53.03930	0.5
55.01877	0.3
55.05267	0.3
55.05513	3.6
56.20789	0.2
57.03421	0.4
57.07072	0.3
58.06316	0.4
58.06605	7.1
60.83609	0.2
61.02919	0.3
61.97220	0.2
65.03944	0.4
67.05508	10.0
69.03437	0.4
69.07071	4.0
70.06591	0.5
71.04980	0.9
72.08143	0.6
73.02906	0.2
79.05495	4.7
81.07058	9.6
83.04966	0.2
83.08607	1.5
84.04507	0.3
84.08127	0.6
85.02888	0.3
85.06542	0.5
86.06052	0.2
86.09751	0.2
87.04472	0.4
91.05494	3.0
93.07047	4.9
95.04958	0.6
95.08613	7.9
97.02917	0.2
97.06525	0.8
97.10162	0.5
98.09702	0.7
98.21539	0.2
105.07031	1.1
107.08604	3.2
109.06524	0.3
109.10167	2.9
110.06033	0.5
111.04492	0.2
111.08102	0.4
112.11264	0.2
116.07070	0.3
117.03372	0.8
118.06557	1.5
119.04951	0.7
119.08556	0.7
121.10155	1.8
123.11701	0.7
132.08125	0.4
133.10132	0.4
135.11726	0.9
137.05954	0.4
137.13266	0.3
145.02872	1.5
146.09671	0.3
147.04404	0.3
147.11708	0.3
149.13239	0.7
150.09166	0.5
161.13287	0.4
163.11185	0.5
176.14346	5.2
177.05463	3.1
178.08649	1.2
196.11229	0.3
198.11322	0.3
201.40115	0.2
208.13443	0.2
258.14819	0.5
266.17603	0.3
276.15982	0.6
280.10419	0.2
294.16885	0.5
294.20572	0.3
294.27917	2.3
295.10818	0.3
295.21033	0.6
312.12997	1.2
312.19717	5.4
312.28958	100.0
313.29257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
54.04721	1.4
55.01882	8.5
55.05513	36.8
57.03158	1.8
57.03438	33.0
59.05020	1.3
61.02938	1.5
65.03932	2.3
67.05505	21.7
69.03432	63.8
69.06734	1.8
69.07072	23.5
71.04995	17.8
71.51708	1.9
73.02901	1.8
79.05492	20.1
81.03420	59.8
81.06585	2.4
81.07055	31.5
82.03732	1.9
82.04202	21.1
83.04986	42.7
83.08623	18.6
85.02907	28.5
85.06537	5.3
87.00826	4.1
91.05483	19.8
93.07048	35.2
95.01325	3.2
95.04974	9.9
95.08606	35.4
97.02900	15.7
97.06525	9.1
99.04456	6.0
99.08088	6.3
103.05527	2.2
105.07030	10.6
107.04945	5.2
107.08575	8.9
109.06559	7.3
109.10167	2.4
111.04444	17.4
111.08084	100.0
113.09635	13.7
115.05454	2.3
115.08195	1.3
117.07021	10.0
119.08578	5.7
121.06501	7.3
121.10147	3.1
123.04438	1.9
123.08084	14.1
125.09632	2.5
127.03964	2.8
127.07561	15.8
133.06506	2.7
135.08054	21.6
137.05969	3.7
137.09612	4.5
139.07542	87.1
139.11212	2.3
141.09105	57.8
145.10158	4.1
147.08067	4.0
149.09619	4.9
151.03975	2.6
151.07555	31.1
153.09142	2.4
153.90659	1.2
155.10748	1.6
161.09567	1.8
163.07513	2.0
163.11166	6.2
165.09146	4.3
167.10753	2.3
173.09618	2.9
179.10730	1.5
191.10687	13.2
207.10101	6.9
209.11734	72.2
225.11183	2.3
269.13876	4.8
273.24393	1.2
289.55371	1.5
295.11777	94.4
304.56671	1.3
313.13052	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	313.1476
Annotation	Olanzapine
Peak:m/z	Relative Intensity
55.01867	1.6
55.05507	7.0
56.05040	1.7
57.03423	3.6
57.07068	5.9
59.04998	2.3
61.02923	2.8
65.03934	1.7
67.05518	7.2
68.05838	2.8
69.03421	4.3
69.07069	2.8
70.06597	12.9
71.06897	1.9
71.08640	2.0
72.08155	4.3
73.02916	1.5
74.06072	1.4
76.96024	1.2
79.05458	1.6
81.03434	1.7
81.07056	2.5
83.04985	9.5
83.06107	1.5
84.04517	2.5
84.05319	4.3
84.08138	13.7
85.02914	16.1
85.06543	18.3
85.08492	3.0
86.03253	4.8
86.06895	9.2
86.09713	5.2
87.08059	1.7
89.03927	1.7
91.05492	7.2
92.05831	4.2
95.04990	7.3
95.08625	2.3
96.05286	3.6
97.02891	4.8
97.06532	2.2
98.03196	1.9
98.97613	2.6
103.05516	1.6
105.07050	2.2
107.04964	3.6
108.05293	1.6
109.02885	2.1
109.06483	2.1
109.10207	1.4
110.07189	2.6
113.05994	2.2
119.04936	13.9
120.04498	2.0
120.05257	12.2
121.06541	3.7
122.06857	2.5
123.04430	24.1
123.08030	2.0
123.59383	1.3
124.04775	20.5
126.05197	1.7
127.03929	2.3
128.04286	1.7
129.05484	2.3
129.10216	2.7
130.05830	1.5
131.05960	1.8
131.08592	1.6
132.08902	1.6
134.06874	3.6
136.06590	1.1
136.07588	9.0
137.06010	8.7
137.07956	6.5
143.00162	1.5
145.02936	1.6
145.04945	5.3
146.05298	3.4
147.04424	7.5
147.05470	2.3
148.04733	10.9
148.08415	1.7
149.05998	4.5
150.06369	4.8
151.03932	2.8
151.07555	2.3
159.08087	3.1
160.08430	7.3
161.05919	1.9
162.09952	1.7
163.06113	2.6
163.07562	3.8
164.07968	5.2
165.05472	20.0
165.06737	2.0
166.05836	29.5
167.06055	4.4
168.06305	4.0
172.08487	1.5
175.11259	2.6
176.11531	6.3
177.05511	3.3
177.09106	2.7
178.05803	3.8
178.09550	5.7
185.09698	1.3
186.10036	8.9
189.06671	2.8
190.09489	3.8
195.06569	5.0
196.06837	10.3
204.11101	4.4
205.08594	1.6
206.08940	2.9
214.09506	2.1
217.06235	1.3
220.13283	1.3
221.13684	14.5
223.07620	2.7
224.10025	3.5
232.10579	4.2
235.07216	5.8
250.11632	4.2
251.07080	1.8
253.08261	4.5
265.12622	2.3
266.13828	7.3
267.14243	97.3
268.14297	1.5
270.12878	1.6
270.50922	1.4
296.12021	11.3
313.14795	100.0
313.27261	3.0
336.50500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1231
Annotation	Botryllamide F
Peak:m/z	Relative Intensity
53.03944	0.3
54.16781	0.3
55.05508	0.3
57.07072	0.7
62.01605	0.2
63.02367	0.4
67.05500	1.4
69.07065	0.4
70.06593	1.0
71.52361	0.3
72.08169	1.2
72.34332	0.2
78.04739	0.4
79.05485	0.4
81.85069	0.2
82.78133	0.2
84.08143	1.2
85.06545	6.4
86.09724	0.8
87.04481	0.4
89.03914	5.9
89.57354	0.2
91.05481	3.2
93.07046	0.9
94.06613	0.3
95.04969	2.4
95.08633	0.3
96.08133	0.4
97.02885	0.4
103.05481	0.5
105.07057	0.4
106.04185	0.3
107.04951	1.1
107.08636	0.3
108.08167	0.3
113.06019	0.7
114.74899	0.2
115.05486	0.3
116.07090	0.4
117.03378	24.3
117.07021	0.9
119.04930	5.2
120.08091	0.9
121.02861	0.7
121.06508	0.5
123.04433	7.8
134.03650	1.4
135.04428	0.9
136.07570	3.5
137.06006	0.7
145.02846	55.5
145.06496	4.6
146.03119	0.4
147.04414	3.8
149.05983	7.6
151.03903	0.3
158.05988	0.3
162.03062	0.3
162.05505	0.8
163.03879	0.7
165.05484	9.8
165.06894	0.5
173.05977	1.0
174.46452	0.3
175.07559	0.6
176.07051	0.5
177.05467	100.0
178.05859	0.4
182.08138	0.7
186.05508	0.7
188.07120	1.0
191.07137	0.4
192.10127	0.3
195.08133	0.3
220.13307	0.5
252.16106	0.3
266.13821	4.7
275.53598	0.3
280.10446	0.4
295.11810	2.1
312.12189	4.1
312.14728	2.3
312.18066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1234
Annotation	Botryllamide F
Peak:m/z	Relative Intensity
55.01887	0.2
56.05043	0.2
63.02384	0.4
69.03415	0.2
69.76296	0.6
70.06579	0.5
72.08148	0.3
74.49416	0.1
78.04728	0.3
79.05508	0.4
81.03426	0.2
81.07061	0.1
84.04479	0.2
84.08165	0.2
85.06515	0.3
86.09692	0.3
89.03920	6.7
91.05477	0.9
93.07027	0.3
95.08613	0.2
96.23357	0.2
103.05486	0.4
105.07043	0.2
106.04173	0.5
107.04971	0.5
108.15032	0.2
109.06497	0.2
110.48212	0.2
115.05399	0.3
117.03386	24.0
117.07043	0.3
119.04942	0.4
120.08111	0.3
121.02880	0.6
121.06504	0.2
123.04439	0.4
134.03642	1.8
135.04448	1.0
136.07602	0.4
137.05988	0.6
143.04941	0.2
144.04486	0.4
145.02855	58.5
145.06503	3.2
146.03142	0.4
147.04422	0.4
149.05989	7.9
155.06053	0.3
158.06050	0.2
160.05299	0.2
162.03108	0.3
162.05522	1.2
163.03941	0.5
165.05511	0.6
166.46162	0.2
175.07574	0.9
177.05478	100.0
178.05812	0.5
186.05516	1.2
188.07065	0.5
223.04103	0.2
251.26180	0.2
266.13727	0.3
312.12302	4.3
312.21716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01870	3.2
57.03428	4.5
57.07079	3.7
59.04985	1.5
61.02931	13.1
61.67446	1.0
62.24470	1.1
67.05506	8.5
69.03081	1.8
69.03434	17.8
69.07068	15.2
70.06596	3.3
71.04983	2.4
71.25423	2.2
72.54095	1.1
73.02912	4.9
81.03419	5.0
81.84792	1.2
84.08149	3.0
85.02909	100.0
85.06546	33.1
86.09713	1.9
87.04477	3.6
87.08109	13.8
91.03973	7.0
91.05487	8.5
93.07047	1.5
95.04979	15.5
97.02893	27.9
99.04468	3.4
103.05457	2.9
105.09122	3.0
107.04962	1.8
109.02893	8.7
113.06010	4.0
115.03917	2.1
117.03380	2.1
119.04947	26.4
121.06497	2.7
123.04439	52.4
127.03930	27.8
131.07059	1.2
133.08601	5.8
135.36948	1.2
136.07578	17.7
137.05972	1.4
145.02844	3.5
145.04962	54.2
147.04419	21.9
150.05466	7.6
163.06035	15.3
165.05484	55.1
177.05446	5.0
180.08748	1.6
182.08093	1.5
202.15533	1.1
220.13396	2.7
229.28291	1.2
266.13892	29.6
295.11691	9.7
312.14420	32.0
312.17999	2.5
321.40488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69124	0.5
53.03949	0.6
54.03468	1.0
55.05516	7.4
56.05036	5.5
57.03430	0.9
57.07059	1.3
58.06601	1.1
64.76537	0.5
67.05503	1.4
68.05029	2.7
69.07056	1.5
70.06588	2.3
71.04963	1.1
71.08630	0.9
72.04509	0.6
72.08144	0.6
73.31580	0.5
73.38430	0.6
79.05494	5.0
80.05017	0.8
81.07059	22.9
82.06587	2.5
83.04939	0.5
83.08617	6.3
84.04500	1.2
88.07623	1.2
91.05470	1.2
93.07030	1.5
95.08591	3.1
96.08114	0.8
96.08988	0.6
97.06513	0.6
98.09701	10.8
98.10342	0.8
98.20740	1.7
99.08089	2.7
102.09162	1.4
107.08585	2.2
108.08105	1.4
109.10123	0.9
110.09673	1.1
111.08122	0.7
122.09634	1.3
124.11234	49.9
126.09158	14.5
126.12807	4.0
166.63321	0.5
178.15894	1.2
196.16966	9.9
210.12100	1.6
229.66139	0.6
238.11618	1.1
260.23526	0.5
276.20499	0.7
294.21497	1.1
312.25320	100.0
312.32532	9.8
313.25586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
53.78699	0.4
55.01854	1.4
55.05514	40.1
57.03442	14.3
57.07080	18.7
67.05506	5.9
69.03427	0.8
69.07072	41.5
69.29980	3.5
71.05006	0.6
71.08635	10.4
73.02905	0.6
73.06548	0.5
79.05493	4.9
81.06596	0.5
81.07059	8.7
83.04974	1.2
83.08622	36.6
84.21659	0.4
85.10185	4.6
93.07045	6.1
95.08611	6.8
97.06541	3.2
97.10174	23.5
101.06010	0.7
107.08600	4.2
109.10159	2.6
111.04452	0.6
111.08079	1.7
111.11723	8.8
121.10152	4.3
123.11725	1.5
125.09633	1.5
125.13244	2.2
135.04420	2.3
135.11705	3.8
137.13234	1.0
139.11186	0.9
139.14812	0.9
149.13258	1.9
158.60533	0.4
161.09669	0.6
163.14847	1.1
167.14224	0.4
177.16272	0.5
177.73201	0.4
209.11760	3.8
219.21126	1.1
231.04050	0.4
237.11226	2.3
237.22121	0.8
255.12173	0.9
311.25815	100.0
312.26138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05278	2.3
55.05518	27.7
57.03446	10.7
57.07077	17.5
59.05015	2.1
67.05520	8.2
68.99778	3.6
69.07073	37.1
71.08647	8.5
71.52713	1.4
78.29752	1.3
79.05480	4.7
81.07063	11.9
83.04968	2.2
83.08632	26.2
85.10224	2.9
90.80619	1.3
91.05492	3.7
93.07030	6.0
95.04948	2.8
95.08596	7.6
95.82309	1.3
97.06533	4.8
97.10184	18.1
105.03451	1.9
105.07039	4.1
107.08590	6.2
109.06498	2.6
109.10179	2.6
109.29201	1.4
111.04481	2.4
111.08101	2.4
111.11697	5.7
121.10164	7.4
123.11691	1.6
125.05956	3.0
125.09649	2.1
127.06829	1.5
135.04436	69.9
135.05449	2.6
135.11699	2.3
146.07278	5.5
147.04457	1.8
153.05493	2.6
161.09633	100.0
172.31636	1.5
177.05475	6.3
191.10750	1.6
203.10699	2.5
209.11758	15.9
216.36777	1.8
237.11287	9.8
244.08475	1.5
255.09834	1.4
255.12297	3.7
275.19995	1.6
311.16428	72.9
311.25876	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.31939	0.5
53.03944	1.1
55.01857	1.1
55.05517	38.7
57.03442	16.3
57.07083	19.2
57.73726	0.4
60.08844	0.4
67.05188	0.5
67.05511	6.7
67.07200	0.4
69.07074	45.6
70.23959	0.4
71.08639	11.3
71.38972	0.8
73.02905	0.9
78.56161	0.4
79.05491	3.9
81.07067	7.6
83.04991	1.1
83.08627	39.1
85.06573	0.6
85.10184	4.9
91.05485	0.9
93.07056	4.4
94.86101	0.5
95.08616	6.4
97.06541	3.7
97.10178	25.2
107.08609	3.6
109.10174	2.4
111.08091	2.0
111.11720	8.1
121.10139	4.9
123.11695	0.9
125.09645	2.0
125.13272	1.4
135.04424	0.5
135.11716	3.5
137.13292	0.6
139.11197	1.1
139.53793	0.5
149.13286	2.4
153.12810	1.0
163.14868	1.4
176.96660	0.5
209.11786	1.6
219.21132	1.0
237.11226	1.1
237.22154	0.8
311.25818	100.0
312.26318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.61035	0.4
53.03934	1.6
55.01867	1.3
55.05515	43.2
57.03442	17.1
57.07078	19.8
67.05508	8.0
68.05850	0.4
69.07072	47.1
69.73226	1.9
70.13710	0.4
71.05003	0.7
71.08635	12.2
73.02921	0.8
75.04485	0.5
79.05500	3.9
81.06600	0.5
81.07059	9.7
83.04980	1.3
83.08620	39.5
85.06520	0.8
85.10178	5.2
86.67231	0.4
91.05488	0.7
93.07049	5.8
95.08616	7.2
97.06535	5.4
97.10173	28.5
98.21653	0.5
101.05988	0.6
107.08591	5.1
109.10153	2.7
111.04450	0.6
111.08094	1.8
111.11729	7.2
121.10145	5.8
123.11666	1.4
125.05954	0.4
125.07394	0.4
125.09650	1.3
125.13258	2.0
135.04420	1.4
135.11682	3.9
135.16618	0.4
137.13202	0.5
139.11147	1.1
149.13239	1.6
153.05484	1.2
153.12694	0.7
153.52754	0.4
161.09599	0.6
163.14821	1.2
188.22675	0.5
195.17471	0.5
209.11693	3.5
219.21048	1.4
235.83150	0.5
237.11151	2.9
237.22104	1.2
311.25809	100.0
312.26175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03926	1.6
55.05515	49.0
57.03440	21.9
57.07074	30.2
67.05508	14.7
69.07071	60.0
71.08632	14.2
79.05501	8.1
81.07059	15.8
83.04978	2.2
83.08620	50.3
84.08942	1.9
85.10177	5.2
91.05482	5.5
93.07053	16.9
95.04962	5.5
95.08607	19.9
96.87493	1.8
97.06543	11.8
97.10178	29.1
105.07049	10.2
107.08591	9.6
109.06564	1.7
109.10165	8.1
111.08102	4.6
111.11726	11.9
114.09171	2.4
117.07104	2.2
119.08586	7.6
121.06519	2.5
121.10128	11.9
123.11724	3.2
125.13296	2.2
131.08606	3.3
133.10126	4.7
133.39134	1.8
135.04434	4.6
135.11728	5.6
142.07779	2.1
145.10144	3.8
147.11696	2.7
149.13290	3.2
157.10106	5.1
159.11734	7.5
161.09651	8.0
161.13254	1.9
173.13380	2.5
177.16484	2.1
185.13251	1.8
209.11757	9.4
237.11221	8.4
311.25888	100.0
311.31152	13.5
333.61371	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03914	0.6
55.01881	3.2
55.05281	1.0
55.05518	13.6
57.03446	0.7
57.07085	5.8
67.05186	0.7
67.05516	9.8
69.03426	1.9
69.07083	6.8
70.57364	2.1
71.08642	8.4
79.05498	5.7
81.03410	1.8
81.07077	8.8
83.05001	4.5
83.08640	6.1
85.06527	0.9
91.05509	4.7
92.05801	0.7
93.07058	5.1
95.04995	3.9
95.08614	5.5
95.90961	0.6
97.06545	1.9
97.10178	7.7
98.20789	0.8
98.86323	0.7
99.08107	5.4
101.06015	0.9
105.07037	3.1
107.04967	3.4
107.08588	5.7
109.02861	1.2
109.06524	1.8
109.10188	3.0
109.12928	0.6
111.04462	7.0
111.08070	1.5
117.07021	1.5
119.08575	2.3
121.06528	4.0
121.10146	1.6
123.08053	1.1
125.05984	1.7
125.09639	6.8
129.05493	1.8
129.07014	0.6
131.08585	2.1
133.10156	1.4
134.10510	1.2
135.04471	1.1
135.08051	2.0
135.11673	1.3
137.05974	0.8
137.09624	0.7
145.10146	1.3
147.11690	1.3
149.09587	1.1
149.13222	0.8
151.11224	1.3
153.05490	4.4
153.87039	0.6
159.11732	1.5
161.09669	1.1
163.11197	1.8
163.85486	0.7
164.12062	0.8
165.09196	0.6
165.12735	0.9
167.10681	0.8
173.13220	0.6
177.12720	2.2
179.10706	0.6
181.05005	1.0
181.12260	2.4
189.11203	3.2
191.10664	2.3
209.11740	20.3
237.11243	14.9
237.14827	1.0
247.20650	0.6
255.12320	4.4
257.18976	1.3
265.21481	1.1
275.20087	6.8
293.21121	100.0
294.21469	1.1
298.97900	0.6
311.18420	0.7
311.23709	1.0
313.07175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.01874	4.6
55.05268	4.4
55.05513	45.7
57.03440	12.5
57.07071	15.9
63.90255	2.8
67.05510	44.0
69.07072	76.3
71.04977	4.9
71.08612	7.6
71.12419	5.6
71.83141	2.5
79.05497	31.2
81.03408	5.8
81.07057	43.3
83.04990	4.3
83.08630	27.6
85.10186	3.2
91.05484	40.0
93.07052	100.0
93.07642	5.4
95.04973	60.1
95.08610	91.7
97.06535	35.8
97.10168	22.7
105.07034	71.7
107.04953	2.9
107.08598	52.6
109.06506	15.9
109.10170	34.8
111.08027	2.9
111.11728	5.5
115.05464	7.0
117.07017	15.7
119.08588	79.0
121.06530	19.3
121.10149	53.3
123.08086	18.0
123.11699	18.3
129.07018	5.2
130.07788	5.0
131.08595	24.4
133.10138	34.8
135.04469	2.8
135.08061	12.1
135.11711	19.5
137.09633	4.9
137.13284	3.6
141.06989	3.6
142.07773	7.5
143.08563	10.5
144.09334	3.8
145.10139	42.3
147.11684	21.9
149.13252	6.0
149.37419	2.7
155.08572	4.5
156.09372	5.0
157.10162	25.8
158.10831	3.0
159.08144	4.0
159.11699	49.6
161.09621	15.8
161.13272	9.4
163.11143	4.2
163.14806	3.1
167.79860	2.8
168.09422	3.0
169.10114	11.6
169.24809	2.4
171.11687	10.8
173.13258	13.4
175.14804	11.6
177.16368	24.7
181.10095	2.6
183.11732	5.5
185.13290	12.2
187.11168	6.9
187.14815	6.1
189.16399	11.2
191.17972	4.0
193.10062	3.0
194.10745	4.1
195.11751	4.2
197.13249	7.7
199.14787	7.2
201.16316	14.3
203.17935	4.7
209.13324	5.1
211.14832	7.5
215.17943	9.2
216.58394	2.5
219.17404	6.7
222.27281	2.6
223.14798	5.5
227.17918	3.3
237.11211	4.4
237.16393	5.8
255.21069	5.2
279.74292	2.4
286.65231	2.4
293.22681	6.9
311.16287	2.8
311.23077	13.0
311.26437	41.5
312.24289	2.8
334.67575	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.4
55.01867	5.9
55.05276	2.6
55.05518	36.7
57.03440	12.8
57.07076	16.8
67.05185	4.0
67.05509	40.2
68.16711	2.3
69.07072	69.7
70.76012	3.8
70.76357	5.2
71.04978	5.0
71.08631	5.4
74.75777	2.3
77.09422	2.3
79.05054	4.0
79.05489	28.0
81.03391	4.2
81.07059	43.4
83.04962	3.5
83.08618	23.8
85.10159	3.4
91.05489	40.3
93.07051	100.0
94.07912	2.5
95.04384	3.6
95.04979	63.3
95.08614	87.0
97.06525	29.4
97.10168	12.5
105.07040	77.0
107.05001	2.9
107.08603	60.3
109.06500	15.0
109.10159	35.1
111.04438	5.1
111.08099	3.2
111.11737	5.4
117.07018	18.9
119.08593	68.0
121.06492	24.3
121.10156	48.9
123.08096	18.9
123.11709	19.0
129.06998	6.5
130.07797	5.9
131.08582	29.9
133.10143	38.7
135.04446	19.8
135.08058	11.3
135.11674	17.7
137.09586	3.4
137.13261	5.2
141.06993	3.5
142.07779	7.6
143.08595	12.4
145.10141	42.5
147.11700	23.8
149.09579	6.9
149.13240	10.0
153.05479	5.1
155.08545	3.5
156.09326	4.9
157.10143	28.6
158.10855	2.8
159.08076	4.0
159.11722	48.3
161.09636	20.0
161.13289	12.0
163.11191	9.4
163.14806	3.0
169.10129	9.0
171.11707	17.9
173.13313	13.0
175.14783	9.0
177.16394	22.2
179.71223	2.8
181.10202	3.1
182.10880	3.3
183.11755	4.8
185.13235	11.6
187.11229	8.3
187.14844	4.4
189.16415	16.8
195.11678	4.9
197.13260	10.4
197.18552	2.7
199.14845	6.6
201.16385	9.9
203.17961	7.7
209.11702	24.1
209.13405	4.5
211.14752	11.0
213.16389	6.5
215.17975	8.1
219.17445	6.2
223.14917	5.9
225.16461	3.4
237.11218	23.4
237.16432	6.3
255.12282	4.9
255.21091	4.4
291.86414	2.8
293.22696	4.7
311.16394	13.8
311.23459	22.4
311.25955	24.8
329.75272	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate
Peak:m/z	Relative Intensity
51.82245	0.7
53.03947	2.4
55.01881	6.9
55.05515	9.7
57.03433	2.9
57.07082	6.6
65.03946	1.3
67.05509	35.6
69.03403	0.9
69.07081	11.5
69.74068	1.4
69.74484	3.4
71.04989	2.6
71.08615	1.4
71.41405	0.7
75.53399	0.8
79.05067	1.5
79.05497	16.2
81.03439	8.9
81.07061	22.5
83.04990	5.1
83.08623	3.6
85.06537	2.9
85.10188	3.6
91.05485	10.3
93.07056	18.4
95.04964	4.4
95.08614	100.0
97.06550	7.4
97.10167	1.1
99.08105	1.9
105.07037	7.3
107.08598	6.6
109.06551	2.3
109.10165	9.6
111.04460	1.6
111.08091	1.8
113.05985	1.2
113.09652	3.1
117.07029	1.9
119.08586	3.6
121.06526	1.0
121.10146	3.7
123.08067	5.9
123.11739	1.8
125.09618	3.9
130.81715	0.8
131.08557	3.0
133.10149	4.2
135.04456	1.0
135.08075	0.9
135.11725	5.0
137.06023	1.3
137.09607	1.3
141.09111	24.9
141.10214	1.3
145.10146	2.4
147.11656	1.5
149.13298	1.5
151.11168	3.7
153.05499	1.3
159.10181	33.1
159.11510	2.1
161.13231	1.4
163.11179	1.6
163.14784	1.9
165.12793	5.2
167.14349	1.0
173.13292	1.2
177.12827	1.1
179.14331	0.9
181.12244	1.2
191.10785	1.0
195.13797	2.5
209.11740	6.8
237.11162	6.9
247.07729	0.9
247.20609	1.9
255.12370	2.4
265.21649	88.7
266.21979	1.6
275.20026	2.0
279.10019	1.1
285.01126	0.9
293.21201	4.8
311.12552	1.1
311.22156	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01878	2.4
55.05515	9.0
57.07076	16.4
59.97120	0.9
62.95620	0.9
67.05505	10.3
69.07056	4.5
71.01367	1.6
71.08636	8.0
79.05489	7.2
81.03401	2.0
81.07062	9.8
83.04979	5.9
83.08622	4.7
85.19979	1.3
91.05495	5.9
91.47481	1.1
93.07037	6.0
95.04966	3.7
95.08609	7.0
97.05013	1.0
97.06548	3.5
97.10171	3.1
98.21638	1.3
99.08113	5.8
105.07038	5.9
107.04955	3.7
107.08587	4.7
109.02917	2.0
109.06493	2.1
109.10140	4.1
111.04449	10.4
119.08578	2.1
120.19460	1.0
121.06503	3.3
121.10153	2.9
123.11658	1.5
125.05987	3.2
125.09634	4.6
131.08566	3.5
133.10150	2.8
135.04465	2.3
135.11653	2.0
143.08575	1.1
145.10098	2.8
147.11705	2.1
149.05992	1.5
149.09679	1.6
149.13190	1.2
151.11223	1.2
153.05453	8.6
159.11649	1.4
161.09618	2.3
163.11133	2.0
165.12735	2.9
177.12651	1.6
181.12245	3.8
189.11253	1.4
191.10693	6.3
209.11734	48.4
221.46205	1.0
229.80316	1.3
237.11235	40.8
255.12317	11.7
275.20166	5.5
293.21109	100.0
311.12936	1.9
311.18628	4.8
311.23492	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03937	3.5
55.01871	4.8
55.05514	22.8
55.63824	2.6
57.03435	2.4
57.07063	5.3
65.86721	2.8
67.05193	3.7
67.05513	56.5
69.03413	4.4
69.07072	25.6
70.90456	5.7
70.90807	2.8
71.04967	2.8
71.08614	3.9
79.05492	35.2
81.07066	69.7
83.04968	9.2
83.08636	15.6
85.06574	5.6
91.05483	33.2
93.07052	39.1
95.04967	8.0
95.08612	47.7
97.06548	15.0
97.10171	12.8
99.08112	6.2
105.07033	34.8
107.04954	6.3
107.08598	28.1
109.06531	9.1
109.10171	25.5
111.08022	4.1
111.11698	4.9
113.36653	2.5
117.07024	14.0
119.08601	28.8
121.06528	3.9
121.10172	18.2
122.88048	2.5
123.08074	7.8
123.11690	11.6
124.61264	2.4
125.09624	6.4
129.06975	6.5
131.08545	16.4
131.13072	2.7
133.06487	2.5
133.10149	29.8
135.08022	4.9
135.11688	9.8
137.05986	5.8
137.09584	8.5
141.06992	5.0
143.08598	2.4
145.10106	17.6
147.11662	16.0
148.55519	2.7
149.09608	11.6
149.13281	6.2
151.11125	6.0
155.08598	2.8
157.10133	7.1
158.96774	2.6
159.11703	11.6
161.09602	3.0
161.13264	5.1
163.11205	7.4
165.13992	2.5
173.13292	6.1
177.12755	4.6
185.90150	2.8
189.11206	5.9
191.14352	3.1
197.11504	2.8
197.13210	4.8
209.13202	3.5
211.02893	2.6
213.05447	3.8
229.19518	3.1
235.16896	6.1
239.17990	6.4
251.10643	2.8
257.19043	14.5
265.21582	3.1
267.13834	3.0
275.20084	100.0
293.21249	15.3
293.28299	3.9
311.12686	18.1
332.36679	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	5.6
54.62629	3.6
54.76416	4.4
55.01857	13.8
55.05513	47.2
57.03428	10.7
57.07082	5.1
65.03941	4.5
67.05508	89.6
68.05818	4.5
69.03426	8.7
69.07058	35.0
69.32441	22.4
69.32862	12.7
71.04973	9.2
73.49590	4.3
79.05066	5.5
79.05493	55.5
81.07063	71.4
83.04966	11.0
83.08617	20.8
85.06541	10.0
91.05486	84.1
93.07047	59.4
95.04958	16.2
95.08614	70.7
97.02905	4.7
97.06523	39.5
97.10170	33.8
103.05483	4.8
105.06419	5.2
105.07044	75.7
107.04989	10.1
107.08585	41.0
109.06519	12.7
109.10156	49.6
111.08091	8.3
115.05422	5.0
117.07006	17.1
119.08568	39.5
121.06464	5.3
121.10161	41.6
123.08056	10.2
123.11687	9.6
124.63393	4.3
125.09628	24.3
129.07010	14.3
131.08578	61.0
133.10124	64.0
135.08055	7.6
135.11673	10.8
137.05975	5.4
137.09602	14.3
139.11151	12.4
141.07008	16.8
143.08577	7.4
145.06509	5.1
145.10123	26.3
147.11659	15.1
149.09657	23.1
151.11171	6.9
155.10667	6.0
157.10081	13.7
159.04395	4.6
159.11676	22.7
161.09627	4.9
163.11165	8.0
169.06461	5.3
169.10130	10.1
171.11697	10.6
173.06021	5.0
173.09579	6.5
173.11726	23.8
173.13269	10.2
183.08026	5.1
183.11723	7.3
185.13297	4.5
187.03917	4.7
187.07509	10.0
189.11243	17.2
191.14400	5.8
193.12325	4.9
197.05986	4.6
197.13313	10.6
213.05405	10.9
215.06973	13.8
215.10628	5.5
233.19276	4.0
235.16759	4.8
239.17931	21.5
257.19009	19.3
267.13840	10.8
275.20062	94.3
293.21201	30.9
311.12866	100.0
311.16272	9.5
311.19852	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.61982	2.6
53.03935	3.7
55.01875	10.8
55.05518	25.3
57.03444	4.6
57.07078	20.1
65.03940	3.4
67.05190	3.9
67.05515	48.6
69.03424	7.5
69.07074	29.8
70.41042	7.4
70.84767	2.4
71.04985	5.6
79.05505	38.9
81.03426	4.3
81.06594	4.8
81.07063	82.4
83.05010	12.8
83.08636	19.4
85.06564	6.1
88.05920	2.5
91.05488	31.9
92.83355	2.2
93.07057	33.1
95.05000	13.8
95.08611	47.4
97.06527	12.7
97.10181	6.4
97.22089	2.3
99.08146	4.9
105.07050	37.1
106.84058	2.5
107.04963	7.5
107.08611	32.1
109.02876	4.2
109.06543	14.7
109.10158	24.2
110.23725	2.4
111.04488	17.7
111.08067	8.9
117.07035	11.8
119.08582	35.0
121.06503	6.1
121.10146	21.7
123.08074	14.1
123.11712	7.3
125.06071	4.0
125.09636	4.9
129.07001	3.2
130.07741	3.1
131.08601	15.4
133.10133	35.3
135.04442	4.6
135.08049	9.1
135.11714	12.6
137.05995	3.5
137.09607	8.4
139.11172	5.6
143.08559	5.5
145.10144	19.8
147.11700	17.4
148.31346	2.4
149.09622	11.5
149.13235	3.3
151.11215	6.9
153.05478	14.4
157.10121	4.1
159.11703	11.6
161.09595	2.8
161.13234	6.9
163.11188	17.6
165.12787	2.6
170.98357	2.5
171.11755	3.0
173.13251	6.3
175.11165	4.1
177.12808	4.9
181.04985	3.2
181.12260	6.6
183.11629	3.4
189.11163	3.4
189.12709	4.0
191.10635	7.4
193.88226	2.6
195.13794	3.4
197.13229	3.9
209.11755	68.0
209.15237	2.5
223.13341	6.5
229.19388	3.8
234.03264	2.8
235.16913	7.3
237.11218	63.4
239.18022	6.1
247.20566	5.4
255.12239	15.6
257.18997	12.7
265.21667	7.2
275.20102	100.0
293.17703	5.2
293.20929	35.9
311.12964	5.9
311.18744	3.4
311.24561	3.1
320.27936	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.23052	1.7
53.03941	3.0
55.01875	37.8
55.05512	28.7
56.08171	1.3
57.03431	5.4
57.07080	15.3
67.05182	2.6
67.05509	31.8
68.99757	1.6
69.07077	18.6
69.62736	1.6
79.05499	15.4
81.03409	7.6
81.07055	22.0
82.67375	1.7
83.04978	7.1
83.08627	13.3
91.05484	14.8
91.67844	1.6
93.07046	15.0
95.04981	11.2
95.08611	17.6
97.06534	4.8
97.10181	7.3
98.21529	4.5
99.08076	2.5
105.04510	1.8
105.07038	10.8
107.04953	6.7
107.08598	12.4
109.06525	5.2
109.10179	13.8
111.04443	7.0
111.08089	2.9
113.97035	2.0
117.07030	4.5
119.08585	7.8
121.06509	3.3
121.10191	8.3
123.08068	3.8
123.11667	3.2
125.06009	5.0
125.09649	33.6
131.08595	3.6
133.10153	8.7
135.04428	100.0
135.08080	4.5
135.11688	6.4
137.05984	3.8
137.09578	9.4
139.11203	2.3
143.08492	1.7
145.09125	2.0
145.10144	5.6
146.07266	3.6
147.11674	1.6
149.09589	2.6
149.13255	3.7
151.11208	9.1
153.05463	5.6
157.10100	3.6
159.11760	2.6
161.09625	46.7
163.11191	4.3
167.10773	2.7
169.10069	2.2
173.13193	2.3
175.11353	1.9
177.12761	5.5
181.12198	3.0
191.10648	3.8
191.14320	2.4
193.12320	2.6
195.13800	2.1
209.11725	30.4
211.13210	3.2
219.21187	2.5
226.77057	1.8
229.19577	2.3
237.11208	23.0
247.20506	3.8
253.05150	2.1
255.12347	2.7
257.18997	5.1
275.20093	18.5
293.17862	3.1
293.21088	19.5
311.12671	4.1
311.16129	3.5
311.19543	2.8
311.22723	3.4
311.25827	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.26462	2.8
53.03954	3.4
53.69212	2.8
55.01862	4.5
55.05519	22.5
57.03424	6.7
57.07077	23.5
60.05542	3.2
63.53755	2.9
67.05509	44.2
69.03440	20.8
69.07077	22.2
69.98377	13.9
71.04982	3.8
79.05135	3.1
79.05505	30.8
81.03401	6.5
81.07067	65.1
83.04974	10.9
83.08633	17.6
85.06525	5.7
91.05485	33.3
93.07069	32.0
95.04969	10.0
95.08614	35.6
97.06533	12.0
97.10146	9.2
105.07035	32.6
107.04963	5.6
107.08602	24.3
109.06522	14.0
109.10165	23.0
111.04447	20.7
111.08065	9.4
114.45795	3.4
117.07011	7.5
119.08596	24.9
121.06478	4.4
121.10166	15.9
123.08064	8.9
123.11689	7.7
125.05980	4.7
125.09602	3.8
131.08582	13.6
133.10117	29.8
135.08037	7.6
135.11736	8.0
137.09593	8.8
143.08646	6.0
145.10150	19.4
147.11737	15.3
147.53223	3.3
149.09610	14.2
149.13258	3.7
151.11221	8.8
151.16087	2.8
153.05487	15.9
157.10152	5.6
159.11720	7.5
161.13252	4.2
163.11224	15.9
165.12737	6.3
171.11670	5.3
173.13303	4.0
175.11147	4.2
177.12810	4.2
181.04944	3.6
181.12247	11.3
191.10677	12.5
195.13794	3.5
209.11731	100.0
235.16908	13.1
236.08264	3.1
237.11238	86.6
247.20596	4.7
255.12286	24.4
257.18958	9.9
275.20090	64.9
293.17422	11.8
293.21057	24.1
294.29333	3.2
311.12973	4.3
311.18832	3.9
311.24942	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01863	6.2
55.05513	7.2
57.03430	2.3
57.07078	24.1
64.62675	0.7
67.05508	16.0
68.82455	0.8
69.03424	1.2
69.07066	6.6
69.48463	3.6
69.48875	2.5
71.01337	1.7
71.04993	4.5
71.08626	2.2
79.05497	8.4
81.03428	2.0
81.06593	1.3
81.07055	20.7
83.04984	10.6
83.08598	4.1
85.02914	7.8
85.06534	2.3
88.42382	0.7
91.05479	9.6
93.07043	10.5
95.04967	8.9
95.08608	14.9
97.02885	1.4
97.06553	3.9
97.10169	1.1
98.20710	1.6
99.04448	2.0
99.08079	2.8
105.07032	7.7
107.04967	3.9
107.08601	9.6
109.02900	4.0
109.06516	2.5
109.10163	18.0
111.04444	22.3
111.08095	2.4
113.05993	1.0
117.07049	2.0
119.08581	5.9
121.06495	2.1
121.10137	4.0
123.08056	2.7
123.11681	1.9
125.05997	7.5
125.09649	1.7
127.07592	1.5
129.07051	1.3
129.84207	0.8
131.08559	3.2
133.10136	16.8
135.04433	3.2
135.08055	1.3
135.11696	2.2
137.05962	2.3
137.09610	3.6
139.11211	1.0
141.09084	1.2
143.08524	1.5
145.10133	3.0
147.08044	1.4
147.11682	1.2
149.09659	5.5
149.13336	1.0
149.18326	0.9
151.11177	11.7
153.05464	18.7
155.10645	7.7
159.11700	1.7
161.09587	1.0
163.11171	6.9
165.09175	0.9
165.12691	1.1
167.10681	0.9
169.10132	0.9
169.12257	2.6
173.13329	1.0
177.12782	1.6
181.04979	3.6
181.12218	5.9
184.98763	1.0
185.09694	1.5
189.11214	2.0
191.10684	11.3
193.04990	1.4
193.39937	0.8
195.13802	6.1
209.11731	100.0
215.12718	1.6
219.10062	1.5
223.13301	6.0
224.65427	1.0
229.19580	1.0
237.11227	87.9
247.20491	1.7
251.20273	1.4
255.12277	24.1
257.18832	0.9
270.35883	0.9
275.20065	14.7
281.66483	1.1
293.17505	9.7
293.21118	27.4
311.12689	2.4
311.18292	8.8
311.24811	1.7
328.09476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.24144	3.0
55.01878	17.0
55.05514	27.5
57.03439	6.4
57.07079	28.7
67.05145	3.5
67.05510	61.3
69.03426	4.6
69.07072	53.2
69.84950	8.0
69.85368	9.1
71.01292	3.9
71.05003	5.6
73.62907	3.8
79.05501	37.3
81.03419	9.2
81.07060	100.0
83.04983	14.4
83.08622	14.4
85.06543	5.6
91.05470	31.8
93.07049	38.6
95.04959	24.7
95.05477	3.5
95.08617	58.1
97.06547	20.3
97.10181	9.5
99.08086	4.6
105.07033	45.0
107.04971	9.1
107.08593	22.6
109.06531	21.6
109.10184	20.9
111.04452	12.9
111.08086	10.0
117.07021	13.5
119.08611	27.2
121.06497	6.6
121.10146	17.5
123.08065	17.9
123.11722	13.0
124.85712	3.3
125.09633	8.7
127.55932	3.5
129.06975	3.8
131.08580	21.2
133.10146	23.3
135.04401	3.6
135.08029	8.7
135.11688	11.9
137.09654	5.5
143.08606	4.4
145.10147	12.4
147.08029	4.7
147.11705	30.6
147.27797	3.5
149.02370	3.5
149.09615	11.8
149.13280	5.6
151.11165	6.8
153.05479	16.1
159.11714	13.4
161.09549	4.4
161.13246	6.8
163.11209	11.5
163.14873	4.6
165.12766	14.1
171.11679	3.8
173.13228	6.9
177.12787	7.2
181.10316	3.3
181.12173	3.8
187.11128	3.8
191.10692	9.6
192.62636	3.1
199.06070	7.0
209.11742	76.2
229.19685	3.5
235.62305	3.1
237.11215	59.4
237.14844	8.3
239.18060	5.6
242.27374	3.3
247.17830	3.2
247.20596	5.8
255.12361	22.1
257.19061	13.3
265.18054	9.2
265.21637	4.7
275.20065	68.5
293.17816	7.2
293.21118	57.5
294.21753	3.4
311.12555	3.8
311.19135	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01876	7.1
55.05512	11.8
57.03443	1.2
57.06800	1.4
57.07078	26.8
57.57734	1.0
65.03934	1.4
67.05509	16.5
68.99777	1.6
69.03422	1.8
69.07063	6.9
69.68282	3.8
69.68682	2.5
71.01359	2.1
71.04979	3.4
71.08625	2.5
72.53685	0.9
77.20020	0.9
79.05074	1.2
79.05499	13.6
81.03395	4.0
81.06595	1.6
81.07057	22.1
83.02556	1.1
83.04979	13.6
83.08629	7.4
84.08147	2.2
85.02895	4.2
91.05489	9.0
93.07049	10.6
95.04975	19.3
95.08061	1.5
95.08619	14.8
97.06520	4.4
97.10169	2.7
99.04453	2.2
99.08097	1.4
105.07037	10.2
107.04945	6.2
107.08582	10.3
109.02901	5.6
109.06496	3.6
109.10161	9.9
111.04448	28.5
111.08084	5.0
117.07009	2.9
118.12823	1.2
119.08565	6.0
121.06485	1.8
121.10172	5.9
123.08079	2.7
123.11697	1.6
125.05987	7.0
125.09606	3.4
127.07528	1.3
129.07002	2.5
131.08565	4.1
133.10135	12.6
135.04420	2.6
135.08055	2.7
135.11688	3.9
137.05901	2.3
137.09618	2.3
139.11183	1.3
140.49431	0.9
141.06972	1.3
143.08563	1.8
145.10106	4.7
147.07985	1.3
147.11661	4.3
149.02414	1.2
149.05992	1.5
149.09621	6.3
150.23656	1.0
151.11159	5.5
153.05492	21.3
153.09097	1.2
155.10652	3.6
157.10175	1.7
159.11702	3.4
161.13225	1.3
163.11182	8.9
164.97090	1.0
167.10728	2.3
169.10123	1.6
173.11800	1.1
173.13255	1.3
174.98613	1.1
181.04965	4.6
181.12274	8.9
183.11566	1.1
187.11176	2.2
189.11111	1.0
191.10686	11.2
193.04970	3.7
193.08771	1.1
195.13837	1.7
203.14288	1.0
209.11742	100.0
219.10040	1.8
221.15402	3.2
223.13274	10.4
237.11240	88.6
255.09833	1.8
255.12294	21.9
257.19052	2.1
265.21585	1.3
275.20081	19.1
283.34109	1.1
293.17490	9.4
293.21085	44.8
311.12625	3.9
311.18362	6.8
311.24402	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03938	1.4
55.01867	4.3
55.05517	10.6
56.22731	1.1
57.03440	1.7
57.07083	7.2
59.06260	1.1
65.03955	1.2
67.05506	18.6
69.03413	1.4
69.07067	13.6
69.13869	1.0
71.04993	3.1
71.08621	3.3
71.52696	1.1
71.53048	1.3
75.87569	1.2
79.05486	11.2
81.03410	2.8
81.07061	21.4
83.04973	6.3
83.08633	5.7
85.06528	2.5
85.17111	1.2
91.05498	10.8
93.07050	18.5
95.04964	6.3
95.08618	14.0
97.06524	4.4
97.10162	5.4
99.08080	1.5
105.07030	17.0
106.44289	1.1
107.04952	5.5
107.08597	10.6
109.02890	1.7
109.06560	6.7
109.10154	8.0
111.04442	3.6
111.08076	3.2
117.07001	4.0
119.08585	8.7
121.06492	4.9
121.10164	8.0
123.08061	4.5
123.11713	1.6
125.06026	2.2
125.09628	3.7
129.06946	2.7
131.08595	7.2
131.09425	1.3
133.06432	1.5
133.10132	10.9
135.04431	1.3
135.08080	4.0
135.11693	5.2
137.05984	1.6
137.09634	2.8
138.99467	2.9
140.99220	1.6
141.07039	1.4
141.37639	1.1
143.08527	2.0
145.06432	1.8
145.10139	5.8
147.08067	2.0
147.11699	8.8
149.09618	4.1
149.13252	2.9
151.11185	4.8
153.05469	5.5
156.02145	2.9
157.10143	2.4
158.01822	2.2
159.11707	5.0
161.09630	3.0
161.13251	3.5
163.11151	4.1
165.12837	1.2
171.11681	1.8
173.13284	3.2
175.11172	2.0
181.12242	2.3
191.10628	3.9
191.14310	2.0
193.12186	1.3
197.13371	1.8
201.12764	1.9
209.11723	24.5
219.13771	2.1
237.09099	1.9
237.11238	20.3
239.17892	2.1
240.82664	1.4
247.20668	2.8
255.12280	7.8
257.19107	7.4
265.21512	4.4
275.20084	100.0
276.20499	1.2
291.19455	1.6
293.21051	56.7
311.12793	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	1.5
59.88843	0.9
63.84887	0.9
67.05494	4.1
70.02762	2.3
70.03159	1.6
70.06577	2.0
73.38070	0.9
73.41640	0.9
74.02431	3.5
75.68256	0.8
84.08149	100.0
85.06543	1.6
90.01586	1.0
94.39865	1.0
119.04932	1.5
121.06520	1.2
123.04469	1.8
130.08650	36.8
131.04933	2.1
131.08525	2.5
133.06514	3.2
135.06776	2.6
136.07588	3.2
140.02293	0.9
143.08560	2.3
145.06409	1.4
146.16393	0.9
147.04396	1.4
148.07587	3.6
149.06001	2.9
157.06654	1.1
157.10173	1.6
159.08046	4.6
159.11710	2.2
161.09602	3.0
163.07547	3.2
165.05537	3.1
170.07248	2.7
173.09644	2.4
175.11179	3.8
176.10728	4.9
177.09096	2.5
182.08211	1.2
184.11365	1.2
185.09621	18.9
186.12807	4.6
187.11182	2.3
188.10776	1.2
189.09117	3.9
190.12315	4.5
194.08263	1.1
200.10817	2.5
201.09026	1.0
202.12283	34.5
203.10727	2.1
204.13802	4.1
205.08664	2.5
205.24043	0.9
213.09137	2.0
215.21159	0.9
219.10188	1.5
219.14899	9.1
220.13350	13.8
230.11752	1.4
231.10109	6.7
236.12897	1.1
248.12863	12.0
250.14400	2.1
265.15494	81.1
266.13797	5.2
294.13336	3.5
311.16025	87.8
330.01364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05514	30.7
57.07074	4.0
59.04750	1.0
59.05006	11.0
67.05511	11.1
67.94424	0.9
69.66355	2.4
69.66770	2.2
83.04985	77.4
84.91000	0.8
85.06074	1.3
85.06548	9.0
91.05489	14.6
93.07059	1.2
95.04978	13.2
101.06005	1.0
103.05494	2.2
107.04993	1.6
109.06492	1.0
111.04420	3.1
119.04950	39.8
121.06506	1.9
123.04437	66.7
129.05486	39.6
135.06844	2.0
136.07590	18.3
147.03256	1.4
147.04414	26.2
147.05547	1.7
165.05486	100.0
186.85471	0.8
195.17612	0.9
212.01831	0.9
218.11769	2.7
247.09790	1.7
264.12311	63.0
293.10223	37.2
310.12857	60.7
317.78818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37313	0.3
55.01872	0.5
55.05511	0.6
56.05031	0.9
56.96571	1.3
57.03432	2.1
57.07090	0.7
61.02928	7.1
67.05509	3.5
69.03442	1.8
69.05837	0.6
70.06585	1.0
70.14926	1.5
71.04998	0.5
73.02927	2.8
74.02452	4.1
80.17951	0.3
81.03429	0.9
84.04514	0.8
84.08148	100.0
85.02914	3.4
85.06548	2.4
85.08488	0.5
87.04448	0.4
91.05508	1.6
95.04990	1.0
97.02885	2.4
98.97575	2.7
101.00890	0.9
102.02442	0.5
102.09205	0.9
107.04960	0.8
110.01299	0.7
110.97579	1.2
113.00894	0.5
115.00698	0.3
115.02431	0.5
116.98641	0.8
119.01865	1.9
119.04945	1.9
123.04442	2.4
124.01026	0.4
127.02401	0.4
127.03925	1.7
128.02283	1.0
128.98619	1.3
130.08643	35.5
131.01869	0.6
131.08615	0.6
133.03467	0.6
133.04982	0.4
133.06497	1.8
135.06824	0.9
136.01988	0.4
136.07584	3.6
137.02867	0.7
138.05540	0.6
143.01915	1.3
143.08582	0.5
145.05000	0.5
145.06503	0.7
146.99684	0.7
147.04439	1.1
148.07611	1.1
149.05994	1.0
149.54947	0.4
157.03419	0.5
157.10182	1.2
158.03503	0.4
158.99626	0.7
159.08081	2.1
159.11696	0.8
159.53726	0.4
160.07578	0.8
160.53123	0.5
161.02969	1.1
161.09605	1.0
163.07579	1.3
165.05461	3.1
167.08511	0.5
168.99861	0.6
170.07285	1.1
170.99712	1.0
171.08046	0.7
173.02936	0.6
173.09697	1.2
175.03432	1.3
175.11182	1.9
175.53558	0.5
176.10712	2.5
177.09129	1.8
182.08162	1.8
183.02448	0.4
184.97481	0.4
185.03036	0.6
185.09628	8.1
186.12781	2.0
187.00960	0.5
187.11143	0.9
188.10762	0.9
189.00838	0.8
189.02435	0.6
189.09041	2.2
190.03972	0.8
190.12256	2.2
191.03983	0.6
196.03912	1.2
198.02821	0.6
200.04475	1.2
200.10710	1.5
202.12276	13.4
203.10704	0.9
204.13863	1.7
205.04503	3.0
205.54604	0.8
212.02603	0.4
212.05293	1.2
213.03317	1.9
213.09201	0.9
214.05057	1.6
219.01736	0.7
219.10251	1.2
219.14893	5.4
220.13347	5.3
220.54327	0.6
221.05009	1.2
222.03992	1.2
225.55672	0.5
229.54869	0.7
230.05592	0.6
230.11844	1.0
231.10220	2.9
233.11780	0.4
236.12648	0.5
247.11092	0.5
248.12817	5.7
250.14426	0.7
259.03275	0.5
263.00848	0.5
263.06244	0.5
265.15485	46.3
266.13806	4.0
280.52679	0.4
293.11240	0.4
294.13431	1.3
305.01675	0.5
311.16022	55.4
312.16113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05514	29.2
57.07082	3.9
59.04762	0.8
59.05004	9.3
65.03931	1.0
67.05509	10.0
69.44115	3.9
69.44534	1.7
70.06580	2.3
72.07738	0.8
75.41156	0.8
81.03406	1.9
83.04984	82.4
84.08144	1.5
85.06546	8.1
86.09704	0.8
87.04434	0.8
91.04979	1.2
91.05488	15.4
91.93307	0.9
93.07026	0.9
94.82265	0.7
95.04968	12.9
98.21483	1.1
101.05980	0.8
102.09238	0.7
103.05460	1.9
103.08578	0.7
109.06490	1.4
111.04437	4.2
115.03942	0.8
115.08691	0.9
115.32116	0.7
116.07060	0.8
118.06447	0.8
119.04947	38.1
120.08089	1.0
121.06516	1.7
123.04433	67.2
129.05486	38.1
135.06796	2.5
136.07582	21.2
147.04420	28.1
159.08008	0.9
165.05484	100.0
177.68750	0.7
183.08029	1.5
197.93292	0.7
200.10669	1.1
200.31560	0.8
201.08997	1.1
211.07628	1.0
218.11775	3.0
219.10258	1.0
220.13530	0.9
229.08580	1.3
232.85538	0.8
236.12735	0.8
247.09691	3.3
256.01093	0.8
264.12317	66.4
284.90765	0.8
293.10205	30.9
310.12848	58.9
331.10654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03937	2.4
55.01868	3.1
55.05513	22.1
57.03439	4.9
57.06799	1.1
57.07076	11.1
59.04995	2.3
65.03954	1.2
65.97009	1.0
67.05509	34.5
69.03423	2.6
69.07072	50.5
70.91114	1.9
71.04996	7.4
71.08630	5.7
73.06554	2.2
74.60904	0.8
78.56368	0.8
79.05070	1.6
79.05494	16.8
81.03448	1.3
81.07059	100.0
83.04986	3.4
83.08624	27.3
85.06551	9.9
85.10152	2.1
89.06082	0.9
91.05479	7.0
93.06487	1.6
93.07049	25.6
95.04984	3.0
95.08611	80.2
96.08913	0.9
97.02879	1.7
97.06527	5.4
97.10172	12.3
99.08103	11.0
103.05518	0.8
105.07026	9.7
107.08597	29.5
109.06525	3.9
109.10162	62.4
111.08094	15.7
111.11736	6.2
113.09668	2.3
117.07006	1.3
119.08604	8.2
120.42732	0.8
121.10149	16.9
123.08085	2.8
123.11713	33.5
123.12608	1.9
125.09640	2.7
125.13293	2.6
127.11202	3.3
131.08578	3.5
133.10147	6.2
135.08092	1.2
135.11687	13.9
137.09625	1.6
137.13257	12.7
139.11195	3.6
141.12720	1.9
143.14281	1.1
145.10187	2.1
147.04483	1.4
147.11702	6.9
149.09595	1.0
149.13272	17.3
151.11182	1.7
151.14827	5.9
153.12781	5.6
155.10652	0.8
159.11713	1.2
161.13280	4.5
163.14833	11.1
165.09151	1.1
165.12740	4.0
165.16486	1.6
167.14343	1.8
171.11658	1.2
173.13210	0.9
175.14914	2.1
177.16452	4.8
179.14450	1.5
179.17923	1.3
181.15945	1.1
189.16396	2.6
191.17953	3.6
193.19550	1.8
203.17996	3.4
205.19563	2.5
217.19534	3.2
223.20636	1.3
231.13829	1.4
235.20667	1.8
261.25842	2.1
273.18616	3.1
273.25772	6.9
279.26868	3.5
281.11694	1.6
291.19791	4.6
291.26810	19.0
309.11096	1.9
309.20538	1.9
309.27917	33.2
329.72424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03931	2.4
54.61569	1.1
55.01866	2.6
55.05514	31.1
57.03437	2.4
57.07080	16.1
59.05003	19.1
65.03941	1.2
67.05186	1.9
67.05510	29.2
69.03420	5.3
69.07072	85.4
69.16252	6.9
69.16685	5.7
71.04979	5.3
71.08624	4.1
73.06519	1.2
79.05076	1.5
79.05492	16.0
81.03425	2.0
81.07059	100.0
83.04991	2.0
83.08151	2.3
83.08624	30.9
85.06546	16.3
91.05476	10.5
93.06490	2.4
93.07048	33.5
94.07397	1.3
95.04968	2.6
95.08612	92.2
97.02851	1.8
97.06533	7.3
97.10172	12.2
98.98463	2.5
99.08097	15.9
105.07014	12.7
107.04949	1.6
107.08601	30.4
109.06509	2.9
109.10161	43.1
111.08093	18.8
111.11723	13.0
111.34486	1.1
113.09663	1.4
119.08558	9.9
121.10145	21.6
123.08060	2.6
123.11710	34.7
125.09623	3.8
125.13248	2.6
131.08580	1.8
133.10126	5.8
135.08087	1.4
135.11693	20.8
137.09601	2.0
137.13255	25.3
139.11209	6.9
140.84581	1.3
141.12636	1.2
145.10107	2.0
147.11725	5.9
149.13269	21.3
151.11189	2.6
151.14809	6.4
153.12718	3.6
157.10042	2.0
161.13274	6.1
163.11212	1.4
163.14833	11.0
165.16327	2.9
167.14317	4.2
175.14796	3.0
177.16376	8.5
179.17867	1.6
189.16331	2.9
191.17941	5.5
195.17348	1.3
203.18013	2.2
205.19458	3.3
209.18979	3.1
217.19510	2.8
221.19025	2.3
231.13802	3.3
233.22917	1.4
238.57230	1.3
251.23705	4.6
261.25803	4.5
273.18402	2.1
273.25858	4.1
279.26855	9.6
281.11765	3.0
291.19409	5.4
291.26801	16.9
309.11151	3.3
309.20660	2.1
309.27930	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03948	2.0
54.80662	1.1
55.01862	3.6
55.05515	29.7
56.24331	1.2
57.03419	4.2
57.07078	13.3
59.05005	20.8
65.03939	1.2
67.05511	30.6
69.03414	5.4
69.07072	91.4
70.56958	1.5
70.57293	2.9
71.04980	5.4
71.08626	4.2
72.56457	1.3
79.05505	18.5
81.03407	3.5
81.07061	100.0
82.07381	1.3
83.04989	2.7
83.08160	1.8
83.08626	33.4
85.02895	1.5
85.06552	16.9
85.10194	1.5
87.71062	1.1
91.05479	10.2
93.07047	30.4
95.04966	4.3
95.08613	92.7
97.02889	1.9
97.06521	7.6
97.10171	11.7
98.98474	3.3
99.08110	16.0
105.07047	15.3
107.08599	35.5
109.06490	3.6
109.10160	49.3
111.08095	15.7
111.11725	14.1
111.12453	1.8
113.09631	2.3
116.58752	1.4
117.07016	2.6
119.08587	10.8
121.06483	1.4
121.10151	25.4
123.08062	3.5
123.11712	35.9
125.09637	4.7
125.13266	2.1
131.08586	2.8
133.10141	8.9
135.11691	22.8
137.09509	1.7
137.13258	29.3
139.11211	5.8
141.12706	1.7
145.10149	1.9
147.11710	7.5
148.08789	2.8
149.09622	1.2
149.13264	27.7
151.11150	2.7
151.14795	6.6
153.12776	4.2
161.13228	5.2
163.14832	9.2
165.12782	1.4
165.16306	3.3
167.14299	3.1
171.11647	1.7
175.14854	1.6
177.16437	7.8
189.16440	2.0
191.17972	4.8
203.17993	3.6
205.19533	2.0
209.18950	2.5
217.19473	4.1
219.20795	1.3
231.13736	3.4
251.23692	3.5
260.53778	1.3
261.25775	6.5
273.18564	1.7
273.25711	5.1
279.26889	7.0
281.11694	2.5
291.19568	4.1
291.26797	17.7
296.29956	1.3
309.07739	1.4
309.11053	2.0
309.17056	1.9
309.20572	2.6
309.27927	16.9
329.06421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	2.0
53.75301	0.9
55.01873	2.6
55.05269	1.4
55.05516	16.0
57.03431	4.0
57.07077	3.5
57.37263	1.0
59.05014	1.4
64.69328	1.0
65.03946	1.7
67.05511	40.2
69.03410	1.6
69.07082	15.0
71.04996	4.0
71.06551	1.7
71.08242	1.9
71.08639	47.8
79.05503	39.1
81.03437	8.1
81.07067	43.9
83.04990	10.7
83.08633	10.3
85.06527	3.1
91.05493	24.6
93.07053	56.4
95.04982	11.0
95.08613	36.8
97.06534	8.0
97.10193	3.8
99.08107	40.6
99.68923	1.0
105.04563	1.3
105.07038	17.6
107.04957	6.5
107.08607	27.8
109.06556	3.0
109.10166	13.5
111.08099	1.9
113.09635	2.8
117.07004	3.3
119.08602	12.0
121.06524	1.9
121.10152	26.5
123.08045	2.6
123.11741	1.6
127.11213	1.6
129.07025	2.0
131.08586	4.7
133.06441	1.0
133.10143	11.1
135.08125	1.2
135.11708	35.9
137.09622	4.4
139.07559	1.4
139.11176	2.3
141.09082	4.1
143.08643	1.2
145.10124	5.7
147.11723	5.8
149.13272	10.0
151.11189	18.7
153.12749	4.1
157.10081	1.9
159.11673	4.4
161.13293	9.3
163.11243	7.3
163.14856	3.0
165.12743	1.5
167.10695	2.1
171.11705	1.8
175.14796	1.5
177.12822	4.5
179.14331	100.0
181.12263	1.1
185.13338	2.0
187.99384	0.9
189.12820	2.3
192.91359	1.0
193.12195	0.9
195.13837	2.5
207.13852	1.3
207.17358	1.6
213.16380	1.7
221.15396	3.4
231.17401	1.2
235.13290	1.9
235.16864	4.5
241.19537	3.0
259.20654	7.1
276.13202	1.1
277.21643	62.5
291.19669	1.0
309.16663	1.7
309.24393	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	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.3
55.01872	5.0
55.05514	17.5
57.03429	1.9
57.07068	4.4
59.05018	2.1
67.05511	40.2
69.07075	26.7
69.59776	3.4
69.60181	9.1
71.04984	2.7
71.08640	3.7
76.22567	1.8
79.05495	30.0
81.03425	44.3
81.07069	40.0
83.04987	13.3
83.08616	7.4
85.02931	1.8
85.06527	2.3
85.10178	3.4
91.05489	17.6
93.07053	24.0
95.04981	26.5
95.08607	17.1
97.06541	4.2
97.10184	9.9
99.08076	2.4
105.07037	16.6
107.08607	18.7
109.06522	6.4
109.10170	16.0
111.08078	3.3
117.07010	4.2
119.08583	12.4
121.10138	10.5
123.08060	2.2
123.11710	4.9
125.09642	10.0
129.07030	2.7
131.08589	3.4
133.10149	13.2
135.08058	4.9
135.11697	7.4
137.09665	2.5
137.13229	2.6
143.08566	2.1
145.10123	3.3
147.11688	15.2
149.13281	3.5
151.11197	37.4
153.09117	2.9
159.11650	2.1
161.09573	2.0
161.13271	9.8
163.14819	4.0
165.12746	7.8
171.11710	1.9
175.14812	5.1
179.14317	4.0
183.97511	1.8
189.12724	2.8
191.69449	1.8
193.12222	3.3
203.12791	8.6
207.13904	4.2
221.15578	2.0
231.21075	9.6
239.97816	1.9
241.19571	7.0
247.57611	1.5
249.22093	4.9
259.20636	6.9
275.04636	1.9
277.21634	100.0
291.19415	1.8
309.24591	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	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	4.4
55.05276	1.2
55.05513	19.6
57.03428	5.0
57.06807	1.4
57.07067	8.2
59.04987	4.0
65.03921	1.8
66.45377	1.0
67.05505	34.8
69.03435	5.6
69.07069	52.2
71.04993	7.1
71.08633	2.1
71.52206	1.4
73.06526	1.4
75.04484	1.2
79.05075	2.2
79.05494	24.3
81.03422	2.1
81.07057	100.0
83.04999	5.9
83.08620	21.6
85.02905	2.7
85.06544	16.8
87.64584	1.1
91.05488	13.5
91.97450	1.1
93.06489	2.1
93.07050	38.4
95.04962	7.4
95.08609	58.3
97.06541	10.5
97.10165	10.1
99.08079	6.4
105.04561	1.4
105.07028	19.9
107.04912	2.2
107.08591	30.7
109.06506	8.3
109.10159	46.6
111.04443	1.8
111.07370	2.2
111.08084	21.8
111.11713	8.6
113.05997	2.0
113.09709	2.1
115.07547	1.6
117.07038	3.3
117.53574	1.1
118.98199	1.3
119.08578	13.5
121.10147	17.0
123.04442	1.1
123.08056	4.8
123.11708	44.2
125.09627	5.3
125.13279	5.9
129.06978	2.7
131.08531	4.7
133.06447	1.3
133.10135	8.3
134.79291	1.3
135.08038	3.1
135.10837	1.6
135.11705	16.5
137.05940	1.3
137.09624	2.4
137.13228	10.7
139.11160	5.1
143.08598	2.3
145.10114	5.7
147.04430	1.3
147.08063	2.4
147.11702	9.0
149.09642	1.9
149.13289	12.9
150.52153	1.3
151.11139	2.0
151.14825	2.4
153.09163	1.3
153.12733	16.2
155.14308	3.9
157.10078	2.8
161.09596	2.6
161.13240	3.2
163.11154	2.2
163.14851	5.9
163.16016	1.3
165.12805	7.2
165.16327	1.7
167.14291	1.9
171.11682	3.9
175.11192	2.6
175.14838	2.7
177.16383	3.9
179.18037	1.7
183.13826	3.4
185.13231	1.7
189.12819	1.5
189.16353	2.6
191.17970	2.1
193.12196	1.3
203.17931	1.9
209.18954	1.3
213.05423	1.5
217.15898	1.7
217.19510	3.8
231.13690	2.6
233.15469	1.6
233.55164	1.1
245.04596	1.3
261.25650	1.7
263.20148	3.3
273.18439	7.7
273.25702	4.5
279.26974	1.6
281.11435	1.5
291.10187	1.5
291.19556	12.4
291.22778	1.6
291.23831	1.6
291.26770	10.3
309.11420	2.8
309.14871	5.1
309.20288	6.3
309.28027	7.4
316.17899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.98766	1.3
53.03950	4.0
55.01875	4.0
55.05516	33.9
55.88911	1.1
57.03429	4.0
57.07079	2.1
62.50027	1.3
65.03938	1.4
67.05511	29.6
69.03432	5.6
69.07079	14.9
70.56955	3.2
71.04984	1.7
75.82810	1.2
79.05500	32.1
81.03412	5.5
81.07059	27.7
83.04993	5.1
83.08620	17.6
85.02904	3.7
85.06534	3.2
89.79095	1.3
91.05492	17.2
93.07056	22.0
95.04984	12.5
95.08617	29.2
97.06568	4.7
97.07342	1.2
97.10183	25.4
98.21440	1.7
105.07040	13.7
107.04960	35.0
107.08602	21.0
109.06526	2.7
109.10171	10.7
111.04479	3.1
111.08090	2.7
117.07038	4.5
119.04948	1.4
119.08588	15.0
119.23957	1.2
121.06554	2.7
121.10144	7.8
121.21738	1.4
123.08079	12.8
123.11700	1.6
125.09637	17.6
125.10447	1.9
129.06996	3.1
131.08545	8.2
133.06532	3.8
133.10149	5.7
135.08066	17.4
135.11699	3.5
137.09602	6.1
141.09105	3.6
142.72321	1.3
145.10136	8.5
147.08022	8.5
147.11676	3.2
149.09624	3.4
149.13313	1.8
153.09178	1.5
153.12852	1.7
155.10732	2.2
157.10167	3.9
159.08185	1.4
159.10188	5.7
159.11604	3.0
161.09662	3.6
162.10423	1.5
163.11209	4.2
165.09180	5.0
169.10188	1.6
171.10219	2.4
171.11679	2.0
173.09628	2.0
173.11755	5.3
173.13129	1.7
177.09074	1.6
177.12767	1.6
180.26004	1.3
185.09743	1.3
187.14796	1.4
189.11230	12.3
189.12784	1.8
191.10663	1.4
191.83870	1.5
193.12311	3.7
211.13348	2.0
217.19478	1.4
223.13336	6.1
227.17920	2.4
233.15584	1.3
245.19009	3.2
249.15126	1.7
255.17567	1.6
263.20108	4.1
273.18509	22.3
291.19559	100.0
309.20697	12.0
309.24234	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.24822	2.3
53.03936	9.3
55.01865	6.0
55.05515	17.1
57.03429	8.5
57.07071	5.6
67.05505	32.6
69.03398	4.2
69.07068	22.9
69.98898	11.3
79.05495	41.7
81.03401	6.1
81.07056	48.9
83.04984	2.7
83.08601	5.7
91.05476	43.7
92.02561	2.6
93.07048	86.6
95.04975	55.7
95.08610	43.2
97.06538	23.5
97.10163	4.6
98.20816	4.5
103.05445	6.2
105.07031	87.8
107.04994	2.9
107.08598	40.2
109.06511	11.4
109.10167	25.0
115.05467	5.2
117.06998	14.3
119.08588	70.1
121.06483	12.3
121.10146	100.0
123.08060	8.0
123.11680	7.7
128.06204	10.7
129.06973	14.2
130.07739	4.4
131.08585	40.9
133.06522	4.2
133.10129	49.7
134.27290	3.1
135.08044	6.2
135.11664	16.4
141.07042	6.5
142.07791	16.4
143.08545	28.8
144.09282	7.6
145.10123	61.6
147.08057	3.0
147.11665	17.2
149.09653	3.4
149.13205	4.0
154.07802	3.8
155.08528	12.1
156.09375	13.1
157.10133	37.7
158.10895	3.3
159.08102	4.0
159.11694	41.3
161.09625	11.7
161.13289	13.4
168.09204	4.0
169.10091	21.1
170.10919	7.5
171.11667	22.8
173.09546	4.3
173.13203	19.1
175.11176	4.0
175.14828	8.1
179.08545	5.2
181.10089	7.4
182.10854	3.3
183.11655	13.4
185.13272	17.8
187.11183	12.5
187.14774	19.5
192.09334	3.5
193.10164	5.2
195.11635	9.4
196.12469	3.6
197.13226	13.3
199.14835	8.1
201.12790	3.5
201.16367	4.3
206.10966	5.1
207.11707	5.5
209.13237	11.8
211.11142	4.8
211.14793	10.5
213.16461	4.9
215.14282	4.3
220.12395	3.8
221.13309	5.9
225.16432	6.7
235.14786	6.5
239.14339	4.5
239.17953	7.3
247.14848	3.4
251.17848	4.5
253.15932	6.9
253.19495	4.0
265.19470	4.3
281.22626	10.3
291.21210	13.7
306.48730	3.0
309.22110	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Albocycline
Peak:m/z	Relative Intensity
50.86879	0.9
53.03944	1.6
55.01869	3.5
55.05270	1.4
55.05514	17.0
57.03435	1.1
59.04995	1.0
59.36050	0.9
67.05508	10.9
69.03436	2.9
69.07073	10.0
69.97212	4.2
71.04989	1.5
71.41714	1.0
79.05496	10.4
81.03439	1.9
81.07063	12.8
83.04990	2.0
83.08617	9.2
89.49804	1.0
91.05491	5.5
93.07046	8.0
95.04972	4.1
95.08599	5.7
97.02874	1.2
97.10170	13.5
105.07027	5.2
107.04966	2.1
107.08593	6.7
109.06570	1.3
109.10164	3.6
111.04480	1.3
111.08105	1.0
117.07063	2.6
119.08569	5.9
121.06522	2.7
121.10146	3.8
123.08087	5.2
125.09631	12.2
131.08601	3.5
133.06520	2.3
133.10110	2.3
135.08046	2.1
135.11682	2.2
137.09572	1.1
143.08571	2.3
145.10162	2.5
147.08064	2.4
147.11723	2.3
149.09642	1.3
151.11166	1.3
156.02107	1.2
159.11642	1.4
163.11201	1.3
165.09128	1.7
171.10181	1.6
171.11670	1.0
189.11252	6.9
223.13246	5.5
245.19188	1.1
255.17381	1.6
273.18478	9.6
291.19559	100.0
309.20581	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	2.9
55.01628	1.7
55.01874	18.4
55.05512	27.5
57.03434	5.6
57.07057	3.1
59.05006	1.3
65.03925	1.6
67.05507	66.5
69.03422	5.3
69.07070	24.2
69.86448	3.1
69.86852	1.9
71.04995	10.3
73.06551	1.4
77.03917	1.5
79.05499	39.0
81.03412	4.9
81.07060	74.1
83.01340	3.2
83.04990	15.5
83.08612	11.3
85.02900	3.6
85.06536	8.4
91.05482	51.7
93.07047	43.2
95.04974	10.5
95.08001	1.3
95.08614	25.5
97.06550	7.0
97.10168	4.2
99.04467	4.7
99.08096	2.2
100.02534	1.2
103.05457	1.7
105.04542	1.3
105.07037	57.7
107.04957	7.4
107.08596	54.2
109.06528	12.8
109.10158	91.2
111.04435	4.9
111.08084	6.8
113.06025	4.1
115.05463	1.7
117.07002	7.3
119.04977	1.2
119.08581	13.4
121.06506	10.6
121.10138	10.4
123.04408	2.5
123.08043	6.7
123.11720	11.7
125.06043	1.4
125.09649	3.8
127.07550	5.4
129.06963	5.8
131.08589	12.4
133.06512	8.3
133.10139	100.0
135.08061	7.7
135.11664	7.8
137.06023	2.7
137.09641	4.2
139.07526	6.3
142.07764	1.6
143.08549	5.0
145.06474	2.8
145.10135	10.0
147.08089	7.6
147.11688	5.3
149.09628	7.1
151.11188	62.2
152.11395	1.2
153.09082	1.9
155.08452	1.1
157.10127	5.0
159.08076	2.9
159.11703	4.6
161.09639	8.9
161.13235	4.4
163.07423	1.7
163.11230	4.1
165.09206	1.3
167.10684	1.5
169.10156	1.3
169.12253	18.6
171.11714	5.2
173.09702	1.8
173.13202	1.2
175.11206	7.0
177.09201	1.5
177.12798	1.8
179.10674	4.2
179.14394	1.7
181.08614	3.0
181.12228	2.0
185.09647	1.5
185.13321	2.1
187.11243	2.3
189.12715	2.8
193.12370	1.7
197.11702	1.7
199.11180	1.9
199.14760	1.2
202.90482	1.1
203.14278	2.6
205.12408	1.3
207.13922	1.9
215.12764	9.7
217.12265	2.4
217.19489	1.3
223.13315	3.0
227.17963	4.3
233.15404	2.2
245.19012	12.4
255.17458	3.7
263.20099	13.8
273.18515	34.8
291.19513	63.3
309.20572	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	4.9
55.01875	12.1
55.05268	4.1
55.05514	40.1
57.03440	29.7
57.07057	2.9
59.04991	4.1
65.03936	2.3
67.05505	47.2
68.70038	2.2
69.03423	4.9
69.07067	23.2
69.71577	6.0
69.71987	7.6
71.04995	4.4
79.05495	53.8
81.03404	4.5
81.07057	82.5
83.04974	7.1
83.08614	20.6
85.06524	8.7
85.16516	2.3
91.05483	39.7
93.07044	39.4
95.04973	17.9
95.08617	34.6
97.06528	10.1
97.10158	21.5
98.20744	2.7
99.08098	7.2
105.07031	35.2
107.04956	22.5
107.08602	33.0
109.06513	22.3
109.10157	17.4
111.08081	6.3
111.11707	2.4
115.05441	4.4
117.07019	19.3
119.08578	48.5
121.06509	12.0
121.10148	18.6
123.08070	12.9
123.11684	4.3
125.09612	19.2
128.06250	3.0
129.06990	10.4
131.08575	25.7
133.06433	3.7
133.10138	14.0
135.08051	13.5
135.11691	9.5
137.09612	7.0
139.11195	3.3
143.08563	15.7
145.10152	28.1
147.08008	20.4
147.11696	7.9
149.09601	5.7
149.13293	4.9
153.09071	3.1
155.08598	3.6
157.10143	9.3
159.08093	5.0
159.11681	9.0
161.09619	8.6
163.11148	3.2
171.11670	5.8
173.09686	3.0
173.13251	6.6
175.11177	3.0
185.13300	3.6
189.11250	12.7
189.12709	2.8
199.14766	2.7
201.12735	2.7
217.15915	5.7
219.13779	10.4
223.13184	2.7
227.17877	5.8
231.13812	3.0
235.16882	3.2
237.16574	2.8
245.19009	5.7
249.14886	3.5
255.17455	9.2
263.20172	11.7
273.18497	58.7
291.19531	100.0
309.20508	14.1
309.23782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01867	4.7
55.05508	8.0
57.03441	29.0
57.07077	1.6
67.05513	30.2
69.07070	4.0
69.69333	9.0
70.88436	1.5
71.04984	4.7
79.05495	18.4
81.07053	14.5
83.04969	3.2
83.08609	2.6
85.02912	1.7
85.06544	29.5
91.05489	13.5
93.07070	8.6
95.04971	36.9
95.08604	6.6
97.06515	1.6
105.07025	8.9
107.04965	4.9
107.08597	8.8
109.06521	34.5
109.10175	2.2
111.04450	2.5
111.08064	2.8
113.06010	100.0
117.07024	5.8
119.08580	6.3
121.06509	3.0
121.10146	2.8
123.08071	1.8
129.07013	4.2
131.08571	9.4
133.06508	2.3
133.10146	4.5
135.08066	30.7
135.11703	2.7
145.10074	8.1
147.08064	2.9
149.09595	4.0
149.13210	2.1
157.10072	3.7
159.11707	2.4
161.09610	5.1
163.11200	2.4
171.11676	1.7
173.13319	1.8
177.12753	1.7
184.45848	1.4
191.10608	3.3
199.11298	1.5
199.14893	2.3
217.15862	13.9
219.13922	2.0
223.13280	1.7
245.19060	2.9
255.17418	2.8
263.20166	2.8
273.18472	16.4
291.19553	47.8
309.20624	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	309.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05512	20.6
57.03435	6.9
57.07064	1.7
57.61303	1.2
65.58058	1.0
67.05507	8.7
69.03420	5.1
69.07069	6.1
70.06588	1.0
70.56977	1.8
70.57311	2.4
71.04976	1.8
71.08634	67.6
72.08160	1.1
79.05505	6.0
81.03390	2.9
81.07050	9.2
83.04984	65.6
83.08622	3.4
84.08149	1.4
85.02894	2.8
85.06550	5.4
91.05478	7.4
93.07034	8.8
95.04971	6.8
95.08627	6.2
97.02902	3.2
97.06529	3.9
99.08099	96.6
105.07047	7.8
107.04942	3.3
107.08612	6.5
108.08102	1.5
109.06519	3.4
109.10152	5.2
111.08079	2.6
117.07005	2.3
119.08566	7.5
120.99588	3.6
121.06515	1.2
121.10143	4.3
123.04432	4.3
123.08111	2.3
125.09624	1.8
127.11210	7.5
129.07014	1.7
131.08583	3.9
133.06451	1.4
133.10126	4.8
135.08020	1.4
135.11708	2.6
136.19580	1.1
137.06024	1.4
137.09621	2.1
141.07013	1.9
143.08566	1.9
145.02826	1.7
145.06511	2.0
145.10115	2.2
147.04422	1.1
147.08096	1.7
147.11687	5.6
148.50063	1.2
149.09616	1.2
153.12749	100.0
157.10106	1.6
159.11703	2.0
161.05919	1.0
163.11255	1.1
165.12732	1.6
169.12192	1.5
171.11635	1.7
171.13800	23.6
175.07544	1.3
175.11194	3.5
176.50999	1.0
177.05450	5.8
188.07076	2.2
189.09097	2.7
189.12825	1.4
193.12318	1.4
205.08463	1.7
229.12402	1.3
235.13371	2.4
238.10931	1.5
239.11153	2.4
249.09103	2.1
249.14967	1.1
273.11276	3.1
273.18375	1.6
277.08597	1.8
291.09860	1.2
291.12601	3.1
291.19550	7.1
309.07837	2.3
309.10745	5.3
309.16782	2.5
309.21136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.14945	1.7
53.03951	14.3
55.01875	15.5
55.05313	1.8
55.05513	20.6
56.13918	1.8
57.03438	36.7
67.05509	61.1
69.03416	6.9
69.07069	21.2
69.20079	19.1
71.04993	17.7
75.04482	2.0
79.05495	54.9
81.03419	36.4
81.07060	83.8
83.04991	14.2
83.08614	10.1
85.02904	2.8
85.06539	7.7
91.05488	48.2
93.07048	60.8
94.50470	1.7
95.04979	22.4
95.08608	41.1
97.06535	44.0
97.10167	7.0
98.20727	4.4
99.04425	4.1
99.08106	20.1
103.05460	3.3
105.07036	37.8
107.04963	20.3
107.08595	35.2
109.06520	33.9
109.10154	18.9
111.04446	22.2
111.08097	5.9
113.06007	3.2
115.05481	2.4
115.07566	3.2
117.07020	21.2
119.08593	25.9
121.06552	10.5
121.10119	18.4
121.10809	1.9
123.04455	5.1
123.08083	19.7
123.11747	3.2
125.09652	5.7
125.49964	1.7
127.07582	4.8
128.06230	2.2
129.07036	10.3
131.08568	26.7
133.06516	6.3
133.10132	24.9
135.08054	25.9
135.11685	17.1
137.09619	4.2
139.11217	2.0
141.06999	3.7
143.08540	9.5
145.06479	8.8
145.10156	21.2
147.08064	8.5
147.11694	7.7
149.09644	12.8
149.13307	7.0
151.11205	7.6
153.09096	6.4
155.08556	2.8
157.10092	11.0
159.08099	3.6
159.11708	15.9
161.09602	10.5
161.13205	2.4
163.11235	5.9
165.09192	2.8
169.10135	7.5
169.12227	3.2
171.11690	9.6
173.09668	2.8
173.13298	6.7
175.11211	9.5
177.12708	9.0
178.37981	2.4
179.10692	1.9
183.11658	2.4
187.11172	7.9
189.12804	2.6
189.16321	2.4
193.12337	3.1
195.11877	2.6
195.13858	5.9
199.14854	5.2
199.60753	1.9
201.12706	5.1
205.12297	3.7
207.13905	2.2
217.15939	17.5
219.13823	8.6
221.15436	5.4
223.13264	5.6
227.17908	3.2
229.67451	1.9
231.02907	2.0
233.15381	5.5
235.16953	5.2
241.14330	3.1
245.19019	4.9
249.18414	2.1
251.13763	1.8
251.16261	9.0
255.17494	7.3
255.82892	1.9
263.20026	7.7
273.18481	36.7
291.19547	100.0
292.19766	2.3
309.20584	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	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.9
55.01871	3.6
55.05511	61.0
57.03445	4.7
59.04991	3.5
60.27932	2.3
65.03944	6.5
67.05506	44.2
68.05828	3.2
69.03410	3.7
69.07070	80.2
70.06590	4.1
71.04983	3.8
78.24684	2.9
79.05495	73.0
80.05007	11.8
81.07056	35.7
82.06553	7.1
83.04962	7.9
83.08620	25.9
84.05302	2.9
91.05478	37.8
92.04977	15.6
93.05818	15.4
93.06463	4.9
93.07040	49.4
94.06585	13.4
94.07381	5.6
95.04948	7.8
95.08611	18.5
96.04475	4.8
97.10160	26.8
98.06061	3.4
99.31712	2.8
105.04482	4.0
105.07024	18.1
106.06567	24.1
107.07336	8.1
107.08599	20.5
108.08112	5.3
109.10158	6.9
110.06018	4.9
111.08091	3.7
115.05473	4.1
117.07024	15.1
118.06570	5.6
119.07351	4.8
119.08561	7.7
120.08112	13.1
121.10102	12.9
122.09655	4.1
124.11195	4.0
125.09636	25.9
129.06975	4.9
131.08548	20.1
132.08060	7.8
133.08795	2.7
133.10135	3.2
134.09596	11.7
135.11694	5.7
138.12779	4.9
141.06964	3.3
143.10643	3.4
144.08084	3.6
145.10051	4.1
146.09602	4.5
148.11201	78.4
148.37508	2.6
159.11685	8.3
160.11166	3.2
162.12776	6.2
163.11101	3.1
165.12724	3.4
166.13087	8.5
176.14336	25.9
186.12764	6.5
192.48083	2.8
199.14825	3.3
204.13867	32.2
222.14876	40.8
265.95291	2.5
272.20203	2.7
290.18427	6.0
290.21161	100.0
291.71115	2.8
308.22269	45.5
325.83014	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.4
55.05510	16.8
57.03454	3.7
57.07080	4.8
57.12024	0.6
59.04996	2.0
65.03928	1.0
67.05506	33.2
69.03426	1.9
69.07069	31.3
69.29776	1.8
69.30206	4.4
70.06591	1.2
71.04993	5.4
71.08621	1.6
73.06549	1.2
73.61373	0.6
79.05489	12.8
81.03416	1.4
81.07056	100.0
83.04987	2.5
83.08620	9.9
85.06535	9.2
91.05479	8.0
93.07043	32.9
95.04981	4.7
95.08607	73.8
97.06526	7.9
97.10172	5.7
99.04430	0.8
99.08080	3.7
101.06033	0.7
105.07033	14.1
107.08591	28.6
109.06523	5.8
109.10156	30.8
111.07381	1.3
111.08087	17.4
111.11726	2.3
113.09644	0.9
117.07018	1.7
119.08587	11.6
121.06484	1.2
121.10143	18.1
123.08087	2.0
123.11704	49.2
125.09633	2.9
127.07567	2.3
127.11204	2.2
131.08583	2.2
133.10130	10.5
135.08054	1.3
135.11693	10.6
136.07573	1.7
137.09619	1.9
137.13234	9.3
138.09158	1.1
139.11186	5.6
141.09114	0.7
141.12764	2.3
141.39711	0.6
145.10120	3.3
147.11681	7.3
149.09656	1.4
149.13252	11.6
151.11171	10.5
151.14827	1.2
152.07021	0.8
153.12749	2.8
157.10124	0.8
159.11656	3.1
161.13258	10.3
163.11211	1.8
163.14856	3.2
164.07141	3.2
165.12714	3.8
166.07713	0.6
167.10710	0.8
167.14328	1.6
169.12207	4.3
172.88596	0.6
173.13324	1.9
175.14880	2.7
177.12921	0.6
177.16359	2.2
179.14313	5.3
181.12296	0.9
183.11638	0.6
183.13885	1.3
187.13329	2.2
187.14885	1.2
189.16360	1.8
191.17897	1.2
193.15948	0.7
197.15398	2.1
201.12706	0.6
201.16440	1.4
203.17926	1.0
207.17444	0.8
210.14969	0.8
213.12595	0.8
213.72012	0.6
215.17928	1.0
217.19510	0.7
218.07318	1.1
231.13823	0.9
243.17418	0.9
247.07314	1.0
260.38168	0.7
264.07791	2.1
265.69772	0.7
271.19092	13.7
271.23892	3.0
276.11023	0.6
276.51120	0.7
277.25360	0.9
279.10092	1.3
289.15033	0.9
289.20392	7.3
289.25223	11.9
292.07272	2.7
307.09723	6.3
307.12805	1.2
307.19043	3.4
307.26306	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03924	2.3
55.01863	3.4
55.05270	1.8
55.05516	21.7
55.99066	1.3
56.42463	1.1
57.03419	2.0
57.07084	9.6
59.05002	1.7
65.03917	1.9
67.05187	1.7
67.05511	23.6
69.03421	3.0
69.07074	81.8
70.06590	7.2
70.63756	4.0
71.04983	4.8
71.06934	2.1
71.08628	2.1
79.05499	18.2
81.07063	91.9
83.04990	3.1
83.08619	18.8
85.06551	10.3
87.08109	1.8
88.07634	4.4
91.05489	11.5
93.07059	37.5
95.04960	2.4
95.08614	69.8
96.37256	1.2
97.06538	8.7
97.10187	7.3
99.08099	2.5
105.07045	37.0
107.08607	34.0
109.06531	6.6
109.10167	37.2
111.08080	10.2
111.11725	16.0
113.06004	1.4
117.06962	1.3
119.08594	21.1
121.10155	43.3
123.08058	3.0
123.11720	42.7
125.09620	2.6
127.11204	2.2
132.10207	1.8
133.10104	8.9
135.11703	14.8
137.09625	1.5
137.13281	14.6
139.11176	17.5
145.10132	3.8
146.11743	1.7
147.11693	23.1
149.13274	16.8
151.11179	10.6
151.14803	1.8
153.12738	7.3
159.11673	6.6
161.13258	4.6
163.14821	5.5
165.12762	33.4
167.14340	3.8
173.13243	3.7
175.14822	4.9
177.16382	5.2
183.13885	1.7
187.14862	3.0
189.16434	3.9
191.18022	2.2
193.15912	2.0
200.20100	2.2
201.16418	3.5
201.20471	7.8
203.17961	2.9
207.17450	2.7
215.17976	4.0
217.19618	1.4
241.82697	1.2
244.22752	2.7
245.23080	20.6
259.23807	1.6
271.24252	7.8
277.25217	3.6
289.25323	23.0
307.26566	100.0
316.76160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.4
55.05510	16.8
57.03454	3.7
57.07080	4.8
57.12024	0.6
59.04996	2.0
65.03928	1.0
67.05506	33.2
69.03426	1.9
69.07069	31.3
69.29776	1.8
69.30206	4.4
70.06591	1.2
71.04993	5.4
71.08621	1.6
73.06549	1.2
73.61373	0.6
79.05489	12.8
81.03416	1.4
81.07056	100.0
83.04987	2.5
83.08620	9.9
85.06535	9.2
91.05479	8.0
93.07043	32.9
95.04981	4.7
95.08607	73.8
97.06526	7.9
97.10172	5.7
99.04430	0.8
99.08080	3.7
101.06033	0.7
105.07033	14.1
107.08591	28.6
109.06523	5.8
109.10156	30.8
111.07381	1.3
111.08087	17.4
111.11726	2.3
113.09644	0.9
117.07018	1.7
119.08587	11.6
121.06484	1.2
121.10143	18.1
123.08087	2.0
123.11704	49.2
125.09633	2.9
127.07567	2.3
127.11204	2.2
131.08583	2.2
133.10130	10.5
135.08054	1.3
135.11693	10.6
136.07573	1.7
137.09619	1.9
137.13234	9.3
138.09158	1.1
139.11186	5.6
141.09114	0.7
141.12764	2.3
141.39711	0.6
145.10120	3.3
147.11681	7.3
149.09656	1.4
149.13252	11.6
151.11171	10.5
151.14827	1.2
152.07021	0.8
153.12749	2.8
157.10124	0.8
159.11656	3.1
161.13258	10.3
163.11211	1.8
163.14856	3.2
164.07141	3.2
165.12714	3.8
166.07713	0.6
167.10710	0.8
167.14328	1.6
169.12207	4.3
172.88596	0.6
173.13324	1.9
175.14880	2.7
177.12921	0.6
177.16359	2.2
179.14313	5.3
181.12296	0.9
183.11638	0.6
183.13885	1.3
187.13329	2.2
187.14885	1.2
189.16360	1.8
191.17897	1.2
193.15948	0.7
197.15398	2.1
201.12706	0.6
201.16440	1.4
203.17926	1.0
207.17444	0.8
210.14969	0.8
213.12595	0.8
213.72012	0.6
215.17928	1.0
217.19510	0.7
218.07318	1.1
231.13823	0.9
243.17418	0.9
247.07314	1.0
260.38168	0.7
264.07791	2.1
265.69772	0.7
271.19092	13.7
271.23892	3.0
276.11023	0.6
276.51120	0.7
277.25360	0.9
279.10092	1.3
289.15033	0.9
289.20392	7.3
289.25223	11.9
292.07272	2.7
307.09723	6.3
307.12805	1.2
307.19043	3.4
307.26306	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Crinitol
Peak:m/z	Relative Intensity
50.32494	1.3
51.78182	1.2
53.03945	2.4
55.01859	1.5
55.05274	1.5
55.05514	23.5
56.37690	1.1
57.03437	2.0
57.07079	9.8
59.04995	1.6
59.41485	1.0
64.39622	1.1
65.03925	2.2
65.16398	1.1
67.05510	39.1
67.67354	1.1
69.03422	3.3
69.07072	82.1
70.06572	4.7
70.20882	4.0
71.04986	3.4
71.08637	1.3
79.05493	12.3
81.07059	100.0
83.04976	3.5
83.08622	16.6
85.06555	11.2
87.08112	2.1
88.07668	1.4
91.05479	4.8
93.06486	2.3
93.07046	32.8
95.04987	4.4
95.08612	64.2
97.06528	9.0
97.10178	6.9
99.08091	3.8
101.06063	2.9
105.07040	14.1
107.08598	27.3
109.06502	3.1
109.10162	71.9
111.08102	10.6
111.11722	19.1
113.06093	1.5
117.07033	1.9
119.08585	11.8
121.06508	1.2
121.10152	20.8
123.08134	1.6
123.11715	49.7
125.09650	3.1
127.11187	3.7
131.08534	1.7
133.10127	9.2
135.11699	13.8
137.13255	20.0
139.11188	20.1
145.10149	3.6
146.11783	1.5
147.11639	7.7
149.13255	16.9
151.11214	10.2
153.12825	2.2
155.10681	2.8
159.11688	3.8
161.13258	6.4
163.11194	1.6
163.14828	7.8
165.12766	4.6
169.12309	2.8
169.15945	1.4
173.13181	2.6
175.14854	4.8
177.12840	1.2
177.16406	2.5
187.14857	1.8
189.16402	3.3
191.17929	2.7
201.16418	2.3
201.20502	3.0
203.18076	1.5
207.17574	1.5
215.17999	2.6
225.18434	1.8
233.19226	1.4
245.23015	9.1
259.24344	1.4
260.79367	1.3
271.24219	4.7
277.25269	4.3
289.25278	14.0
307.19159	2.3
307.26486	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	1.4
54.49248	1.0
55.05514	17.2
57.03432	1.8
57.07089	6.1
59.05002	1.4
67.05510	30.6
69.03442	2.4
69.03857	0.9
69.07070	25.3
69.42091	1.0
69.67280	6.6
69.89316	1.0
71.04977	3.0
71.08640	1.9
79.05502	12.1
81.07061	100.0
83.04987	2.9
83.08623	11.8
83.85516	1.0
85.06541	10.5
90.60304	1.3
91.05485	6.0
93.07053	17.7
94.29240	1.1
95.04967	1.8
95.08611	51.5
97.06538	4.1
97.10184	5.9
99.08121	3.1
101.05994	2.4
105.07040	10.1
107.08598	18.4
109.06584	1.5
109.10162	56.1
111.08086	4.6
111.11733	2.8
119.08587	6.6
121.06539	1.4
121.10158	15.8
123.11713	66.9
125.09606	2.7
125.13300	1.6
127.11210	4.6
131.08595	1.1
133.10164	5.1
135.11679	8.6
137.09650	2.4
137.13268	10.6
139.11177	2.6
141.12724	1.8
145.10133	2.6
147.10663	1.1
147.11693	5.6
149.13283	10.1
151.11188	2.8
153.12782	1.7
155.10669	1.3
159.11728	2.2
161.13261	4.0
162.21617	1.2
163.14835	3.7
165.12801	3.6
169.12219	1.8
173.13287	2.4
175.14882	2.3
177.16432	2.4
179.14331	1.3
181.15814	1.0
187.13300	2.0
187.14848	1.4
189.16461	2.2
191.17920	1.5
201.16367	1.8
203.17961	1.1
215.18056	1.6
225.18622	1.9
251.20233	1.1
251.71007	1.1
271.24203	3.3
277.25360	1.5
289.18036	1.9
289.25238	7.1
307.19058	1.5
307.26318	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	307.227
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03935	2.7
55.05511	14.8
57.03443	26.4
65.03960	4.1
67.05506	79.7
69.03436	3.0
69.07056	12.1
72.99960	2.3
79.05502	46.6
81.07062	57.9
83.08614	5.7
91.05478	25.5
93.07050	46.4
95.04951	3.6
95.08607	47.2
97.10201	2.9
105.07034	13.5
107.08582	15.0
109.06579	3.9
109.10171	16.9
114.29007	2.5
117.07021	6.3
119.08587	9.8
121.10149	26.9
123.08066	3.1
123.11676	4.7
125.09670	2.7
131.08559	9.5
133.10117	9.3
135.11694	11.2
145.10118	6.8
147.11743	4.9
149.13300	7.1
159.11674	5.0
173.13255	2.8
197.14365	2.5
215.18146	5.8
307.22681	100.0
307.28015	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	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	1.9
55.05272	1.5
55.05514	21.3
57.03415	2.1
57.07083	7.6
59.04996	2.8
62.93491	0.9
67.05179	1.7
67.05505	21.4
69.03429	4.7
69.07072	93.2
69.52456	4.8
71.05000	4.8
71.08629	1.6
73.06590	1.0
79.05495	17.1
81.03429	1.3
81.07059	100.0
82.72279	0.9
83.04975	3.9
83.08631	17.8
85.06539	10.1
91.05484	11.1
91.31956	0.9
93.07050	41.9
95.04999	6.2
95.08611	56.4
97.06544	10.7
97.10179	7.4
98.20797	1.8
99.08073	2.0
105.07041	50.2
107.08604	35.5
109.06521	9.3
109.10162	31.4
111.08078	10.0
111.11732	19.7
113.06015	1.6
117.07048	1.8
119.08590	23.7
121.06505	1.7
121.10147	48.0
122.36395	1.0
123.08060	3.1
123.11712	39.7
125.06021	1.4
125.09612	2.5
125.13309	1.4
127.07516	1.7
131.08586	3.1
133.10152	7.1
135.08055	1.7
135.11723	13.1
137.09628	2.0
137.13252	10.4
139.11188	24.7
145.10117	4.5
145.98390	1.0
147.11705	27.8
149.09599	0.9
149.13274	12.4
151.11179	9.3
151.14838	1.9
153.12749	10.4
159.08186	1.0
159.11716	4.1
161.13255	5.3
163.11165	1.4
163.14786	5.9
165.12764	41.4
167.14301	5.6
168.62848	1.1
169.15842	1.1
173.13251	2.7
175.14844	4.2
177.12814	1.3
177.16388	2.8
179.14394	1.3
183.13823	3.1
187.14812	2.4
189.16414	2.3
191.17944	2.2
193.15918	1.7
194.44673	1.0
201.16396	2.6
203.17975	1.5
203.29488	1.1
215.18011	2.7
230.80064	1.0
233.19052	1.7
245.22643	3.8
264.07858	1.2
271.24255	5.2
277.25409	2.5
289.18240	1.6
289.22009	1.7
289.25266	29.5
307.09579	3.1
307.26340	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.02390	0.7
51.67658	0.5
53.03943	1.6
55.01868	1.9
55.05513	15.4
57.03443	2.6
57.07077	6.1
59.05003	0.9
65.03941	0.7
67.05507	29.8
69.03424	2.3
69.07072	28.0
70.91627	0.9
71.04996	4.6
71.08629	1.5
73.06576	1.2
79.05497	12.1
81.03423	0.7
81.07058	100.0
83.04974	2.1
83.08621	9.3
85.02916	0.7
85.06545	7.4
87.08126	3.1
91.05475	6.3
93.07047	29.2
95.04990	2.3
95.08609	66.4
97.06528	5.3
97.10167	5.7
99.08118	2.8
105.04492	0.6
105.07031	12.4
107.08599	28.2
108.24154	0.5
109.06527	4.5
109.10159	31.0
111.08086	14.9
111.11714	2.3
113.06037	0.6
113.09637	0.7
117.07038	0.6
119.08588	8.5
121.06519	0.8
121.10146	19.4
123.08102	1.3
123.11710	55.4
125.09639	3.5
125.13281	0.7
127.07552	2.1
127.11177	2.0
131.08557	1.4
133.10136	8.6
135.08093	0.8
135.11703	8.8
137.09624	0.5
137.13263	7.8
139.11203	5.0
141.12775	3.5
145.10117	2.5
147.11696	7.0
148.96786	0.5
149.13261	13.6
151.11198	12.4
151.14798	1.4
153.12753	3.5
154.11513	0.5
155.10547	0.6
159.11682	3.0
161.13274	5.1
163.11188	0.8
163.14868	4.8
165.12790	5.2
167.10779	0.7
167.14290	1.1
169.12262	4.0
173.11844	0.6
173.13252	2.1
175.14871	3.2
176.14125	0.5
177.14857	0.6
177.16338	2.5
179.14308	1.1
181.12248	0.7
183.13823	1.3
187.13301	3.4
187.14801	0.9
189.16328	2.3
191.18039	1.4
198.86293	0.5
201.16487	1.2
203.18028	0.8
206.90599	0.5
215.18001	1.8
217.19398	1.1
219.17410	0.7
221.19044	0.5
232.75734	0.5
263.23746	0.9
271.24213	4.4
289.17920	0.7
289.25269	10.4
292.07242	0.8
307.06152	0.5
307.09625	1.4
307.19162	1.1
307.26318	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01878	19.6
55.05515	70.2
57.03429	7.4
57.07052	5.3
65.03931	5.6
66.98351	4.0
67.05509	76.2
69.03411	5.5
69.07064	37.5
70.10141	14.2
75.89893	3.8
79.05079	7.4
79.05499	100.0
81.03408	17.0
81.07062	85.7
83.04989	31.6
83.08632	31.2
85.06549	9.0
91.05476	59.9
93.07050	75.7
95.04959	16.5
95.08605	37.0
97.06546	28.9
97.10184	47.4
105.07046	57.1
107.04949	50.2
107.08602	95.3
109.06572	7.1
109.10169	30.7
111.08079	8.0
117.07004	16.6
119.08580	42.6
121.06512	8.2
121.10149	25.5
123.08108	5.3
123.11688	10.9
125.09647	63.2
131.08598	25.1
133.10130	44.7
135.08067	29.8
135.11690	13.5
137.05943	9.6
137.09627	5.4
138.06328	6.9
141.06898	4.1
145.06435	5.6
145.10123	18.7
147.11690	23.4
148.45377	4.2
149.09634	78.4
149.13242	5.7
151.11179	4.7
153.09111	18.3
156.61980	4.1
159.11688	17.5
161.05942	4.5
161.13274	8.3
163.11154	6.4
169.10130	6.4
169.12279	5.2
171.10205	5.9
171.11668	4.7
173.13324	9.7
177.12788	13.3
179.10744	5.4
181.57558	4.0
187.11223	4.7
203.12785	49.0
209.15421	12.2
218.37598	4.5
229.19571	9.6
247.20557	5.5
257.19135	23.6
275.20065	95.0
307.12967	5.9
307.19507	4.3
307.22879	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	307.2268
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
50.91172	2.0
51.45792	2.0
53.03953	2.8
53.38494	1.8
55.01873	4.3
55.05516	18.8
57.03443	16.1
57.07068	4.3
62.91351	2.1
65.03936	4.0
67.05508	67.0
69.03441	2.3
69.07070	22.4
70.59570	4.4
71.04999	2.6
79.05493	43.7
81.07059	60.9
83.04986	4.0
83.08626	8.6
85.06593	4.1
91.05485	29.2
93.07047	46.7
93.92284	2.0
95.05002	5.3
95.08614	43.2
95.09177	2.9
97.06552	7.2
97.10179	3.2
99.22842	2.3
105.07035	19.1
107.08609	20.8
109.06538	7.9
109.10172	15.6
109.16251	2.0
111.08069	4.1
117.07023	9.7
119.08581	13.5
121.06497	4.8
121.10168	22.5
123.08089	3.1
123.11723	7.9
125.09629	2.8
131.08578	14.6
133.10143	15.9
135.08090	4.3
135.11719	8.7
137.05994	4.5
137.09694	2.3
137.13281	2.8
138.06331	2.5
145.10173	11.6
147.11697	9.7
149.09663	4.3
149.13286	6.0
151.11145	5.6
159.11702	9.3
163.11168	4.6
171.11781	4.6
173.13301	6.7
191.14328	3.1
207.13724	2.6
215.18007	8.0
219.13838	3.7
239.18010	3.1
257.19083	6.1
262.41043	2.1
275.20090	59.9
307.22766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.38561	0.6
53.03946	2.2
55.01859	2.1
55.05512	14.1
57.03435	1.6
57.07062	2.3
58.39553	0.7
59.05001	3.6
65.03938	2.4
67.05507	19.4
67.59179	0.7
69.03423	1.4
69.07066	11.6
69.98343	3.1
71.05002	9.8
73.06548	2.3
79.05499	22.1
81.03408	1.8
81.07062	23.0
83.04973	2.6
83.08604	5.4
85.06535	2.3
87.04462	2.2
87.08098	1.2
91.04905	1.4
91.05484	28.3
93.07047	24.5
94.04189	1.3
95.04966	4.7
95.07993	1.0
95.08606	18.4
97.02888	0.8
97.06538	8.4
97.10184	3.9
98.21389	1.1
99.08076	1.5
103.05499	1.2
105.07039	31.1
107.04942	2.1
107.08594	16.6
108.05695	0.9
109.02867	1.9
109.06527	15.1
109.10152	12.4
111.04485	0.9
111.08069	3.1
115.05459	1.5
117.07027	9.0
119.08585	27.0
120.02479	0.8
121.02869	5.5
121.06498	6.2
121.10155	11.4
122.07353	1.1
123.08057	11.4
123.11691	2.1
125.05978	0.9
125.09628	3.3
127.03883	0.9
127.07597	0.8
129.07004	3.0
131.08565	9.9
133.06558	0.9
133.10138	23.0
135.08084	6.7
135.11699	4.8
136.08849	1.1
137.09637	6.4
139.11203	2.3
143.08560	2.6
145.10133	10.8
147.08057	1.6
147.11688	20.1
149.09628	5.4
149.13271	2.7
151.11198	12.3
151.14864	1.2
155.08586	2.5
157.10132	3.0
159.08052	1.8
159.11711	8.1
161.09587	2.0
161.13264	4.5
163.07527	1.2
163.11194	8.3
163.14830	2.1
165.12756	8.7
167.10707	1.0
169.10121	2.9
171.11739	3.3
173.11859	1.3
173.13255	6.2
175.11139	1.4
175.14818	1.2
177.12735	3.0
179.14355	2.7
183.11702	3.2
185.13248	1.7
187.11139	1.2
187.14873	1.2
189.12854	0.9
191.14304	1.4
197.13229	3.3
201.12822	1.3
205.12238	1.0
209.13206	0.9
213.05450	1.1
213.16342	1.3
215.14423	1.0
229.19452	4.3
233.15431	1.6
239.18066	6.6
247.16907	0.9
247.20628	3.4
249.18507	3.3
251.16443	0.9
257.19012	7.4
265.18057	1.8
271.16888	1.1
275.20071	51.0
277.21759	0.9
289.17929	2.8
289.21591	2.9
289.25085	1.1
307.09741	3.1
307.22693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.91737	0.7
54.63884	0.9
55.01863	3.0
55.05511	15.3
57.03442	8.0
57.07064	2.1
67.05509	23.1
69.03416	2.4
69.07072	18.2
71.05001	13.3
71.52320	0.9
76.20110	0.8
79.05495	14.4
81.07062	54.8
82.07389	0.9
83.04980	4.0
83.08629	12.0
85.06094	1.3
85.06555	15.9
86.09729	0.9
91.05493	16.4
93.07045	20.0
95.04961	2.0
95.08612	66.7
97.06539	17.9
97.10192	5.9
99.08112	7.5
101.05997	1.0
105.07037	20.1
107.08609	10.2
109.06541	4.6
109.10163	9.4
110.12052	0.8
111.08078	4.8
113.09635	2.6
115.07578	1.1
117.07034	1.6
119.08591	28.6
120.08121	1.6
121.06509	3.0
121.10161	10.3
123.08050	5.3
123.11681	2.2
125.09607	2.0
127.07555	1.2
131.08568	1.9
133.10141	20.7
135.11702	12.5
137.09584	2.5
137.13255	9.5
141.09061	1.8
145.10143	1.8
149.13298	1.5
151.07643	0.8
151.11127	0.9
151.14844	1.9
158.37590	0.8
159.08093	1.3
159.11646	1.3
161.13272	53.2
163.11134	1.9
179.12749	1.8
179.14317	30.8
192.66475	0.9
197.15399	17.9
247.07617	1.2
253.18030	3.6
261.08920	0.9
261.32925	0.8
271.19061	100.0
289.17340	1.0
289.20374	5.6
292.07440	1.1
307.09708	2.4
307.19138	2.3
307.26108	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03943	6.8
53.84313	1.5
55.01873	9.6
55.05266	3.1
55.05513	31.3
57.03430	5.9
57.07064	2.1
59.05000	2.2
59.20351	1.6
62.79130	1.8
65.03937	6.0
67.05508	85.2
69.03440	2.8
69.07073	26.7
70.07363	7.1
71.05000	19.7
77.75782	1.6
79.05495	69.4
81.03433	3.9
81.07059	100.0
83.04977	20.9
83.08612	12.9
85.06539	10.4
85.73793	1.6
91.04923	2.0
91.05487	51.8
93.07044	54.0
95.04969	26.9
95.08613	50.7
97.06530	33.1
97.10188	5.2
99.08084	3.2
101.80647	1.8
103.05455	2.5
105.07034	60.3
107.04970	3.0
107.08593	32.9
107.17502	2.0
109.06521	30.7
109.10162	14.0
111.04469	4.6
111.08073	9.1
115.07624	2.1
117.07005	16.0
119.08589	43.3
119.09380	3.6
121.02910	2.3
121.06523	5.3
121.10146	23.9
123.08072	47.3
123.11745	10.9
125.09645	4.3
128.06259	3.8
129.07034	5.8
131.08566	24.2
133.10139	31.8
135.08057	3.6
135.11699	9.6
137.05997	13.5
137.09608	14.8
137.13245	2.6
138.06364	6.5
141.07043	3.6
142.07808	3.9
143.08539	8.7
145.10130	22.8
147.11690	26.8
147.38689	1.9
149.09595	4.0
149.13246	3.9
151.11154	11.6
155.08565	3.3
156.09358	2.0
157.10100	8.8
158.45389	1.9
159.11685	11.9
161.09682	2.9
161.13293	13.5
163.11267	2.9
165.12732	13.3
167.08571	2.6
169.10223	5.6
171.11707	10.1
173.13248	11.0
175.15076	2.6
177.12834	4.5
179.14326	3.0
181.10205	4.4
183.11745	5.9
185.13239	2.9
185.40947	2.0
187.11220	2.1
187.14839	3.2
189.12740	5.0
189.75798	1.8
191.14369	3.3
196.12575	2.2
197.13274	4.5
207.11899	2.4
207.13850	5.4
209.13336	2.1
211.14928	3.5
213.16516	2.4
215.18018	2.8
223.14861	2.9
233.13246	2.2
233.15305	2.5
236.32405	1.8
239.18048	5.5
254.99034	2.0
257.19031	8.1
263.20166	4.6
271.16910	2.3
275.20099	21.9
289.21729	14.6
295.18170	2.1
307.22809	81.8
312.16010	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05508	12.0
57.03430	6.1
57.07058	1.7
67.05185	1.8
67.05509	24.9
69.03438	1.6
69.07072	13.8
70.11769	3.1
70.82403	1.0
71.04996	10.4
79.05491	15.2
81.07060	52.0
83.04979	3.9
83.08624	11.8
85.06548	12.6
91.05495	18.1
93.07050	16.8
95.08613	64.9
97.06535	17.6
97.10167	5.4
99.08089	6.5
101.05983	1.1
101.72154	1.1
104.15909	1.1
104.89855	1.0
105.07043	15.8
107.08595	7.8
109.06512	3.7
109.10149	6.7
111.08063	4.2
113.09579	1.3
115.07512	1.1
117.07003	2.1
119.08582	24.8
121.06489	1.9
121.10136	6.0
123.08052	4.7
123.11694	1.9
127.07578	1.1
133.10135	17.7
135.07997	1.4
135.11699	10.4
137.09637	3.2
137.13263	9.4
145.10091	1.4
149.13275	1.7
151.11209	1.3
151.14865	1.1
159.11638	1.8
161.13264	47.5
161.23935	1.2
178.15990	1.4
179.14320	33.2
190.76917	1.2
197.15379	14.6
237.52754	1.0
239.08005	1.3
242.53380	1.2
253.17970	2.7
264.07825	1.2
271.19058	100.0
279.28702	1.0
289.20331	5.7
307.06180	1.4
307.09586	3.6
307.19147	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	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51786	0.4
56.05046	2.7
58.06602	5.4
70.45401	1.5
74.02451	0.5
84.04510	25.1
84.08147	100.0
85.22102	0.5
86.06077	6.8
86.09709	6.1
88.04008	2.1
88.18636	0.5
97.88322	0.4
98.09735	0.6
114.12806	0.6
130.06586	0.9
130.08659	1.4
141.13879	8.4
144.10234	0.8
144.58983	0.5
157.07600	1.2
158.06059	1.4
169.13382	9.4
198.11253	1.5
215.13924	42.2
229.15710	0.7
230.31540	0.4
234.15923	0.5
243.17064	54.3
244.17177	0.6
261.08847	0.6
262.11203	3.3
262.13492	0.6
307.16873	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03941	8.5
55.01868	10.5
55.05510	36.7
57.03159	4.5
57.03439	73.0
61.97231	3.3
67.05506	63.5
69.03447	3.6
69.07062	27.2
69.58164	21.4
69.87287	3.3
71.04993	5.3
71.08594	3.6
73.06570	5.4
78.40720	3.4
79.05495	46.1
81.03405	4.0
81.07057	66.3
82.07390	3.3
83.04985	79.1
83.08616	11.6
85.06534	9.6
86.60267	3.1
88.58155	3.2
89.06027	3.2
91.05479	51.7
93.07048	57.8
95.04968	15.2
95.08607	47.8
96.08932	4.8
97.06528	10.5
97.10200	5.0
99.04459	8.5
99.08099	5.4
101.63041	3.2
105.07035	46.0
107.04956	80.9
107.08603	36.4
108.05760	3.6
109.06516	33.7
109.10150	24.7
111.04440	52.2
111.08123	6.5
115.05470	5.4
117.07044	23.2
119.08584	32.1
121.02845	6.1
121.06501	18.5
121.10158	18.9
123.04449	4.5
123.08070	11.8
123.11757	4.9
125.06007	8.9
125.09624	7.3
129.07080	16.0
131.04965	5.5
131.08569	31.1
133.06465	12.8
133.10101	21.2
135.08044	25.9
135.11685	12.1
137.04996	6.3
137.05981	57.1
137.09616	13.0
138.06334	34.7
141.06972	7.0
143.08534	5.8
145.06499	18.5
145.10100	19.5
147.08032	14.2
147.11708	10.8
149.05983	12.8
149.09601	7.5
149.13275	6.2
151.07536	7.8
151.11154	6.8
152.72623	3.5
155.08546	10.4
157.10118	14.6
159.08035	18.9
159.11699	9.3
161.09644	12.5
161.13235	7.3
163.07553	9.6
163.11215	10.9
165.09123	3.9
165.12718	12.7
166.13078	20.3
169.10117	7.5
171.11691	10.6
173.09631	8.3
173.13306	6.9
175.07527	3.2
175.11148	4.8
177.09117	8.7
177.12769	25.0
178.13515	5.4
183.11691	5.6
185.09615	4.2
187.11168	5.9
187.14766	9.3
189.12724	4.6
191.14355	4.8
192.14705	5.5
197.13280	7.5
201.09079	4.9
205.15891	15.6
215.14378	12.8
215.17897	5.0
233.15366	51.3
243.17418	13.2
253.15810	5.2
261.18512	44.9
262.22507	4.0
271.16946	33.0
275.20044	11.5
289.18008	100.0
289.21332	8.4
290.22064	21.6
307.09579	4.3
307.12735	3.9
307.19345	6.4
307.22055	6.0
307.24640	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03942	4.7
55.01876	11.5
55.05513	39.1
57.03196	2.5
57.03443	33.0
57.07074	1.9
59.04998	1.9
65.03967	1.9
66.95763	1.7
67.05183	3.0
67.05509	40.9
69.03419	4.0
69.07066	15.6
69.75719	9.6
71.04977	3.1
79.05074	3.3
79.05501	41.7
81.03424	5.1
81.06603	2.0
81.07066	32.0
83.04984	6.7
83.08624	15.3
91.05481	26.0
93.07056	23.2
95.04974	18.8
95.08623	13.2
97.06529	6.0
97.10185	24.0
103.05465	4.1
105.07027	21.4
106.93068	1.6
107.04965	15.0
107.08596	25.4
109.06528	13.3
109.09582	1.8
109.10182	15.1
111.08102	4.2
113.06002	2.0
115.05419	2.9
117.07029	12.9
119.08585	25.8
121.06512	9.6
121.10136	8.8
123.04421	3.5
123.08051	5.6
123.11737	2.8
125.09639	22.0
128.06180	3.2
129.07001	8.3
131.04977	2.5
131.08585	13.0
133.06459	4.5
133.10109	8.9
135.08069	20.5
135.11678	2.1
137.09613	6.8
138.06332	2.2
141.06978	3.1
142.07779	4.5
143.08580	9.7
145.06474	8.5
145.10139	8.4
147.08055	9.4
147.11659	3.0
149.06000	6.3
149.09645	3.8
152.06265	2.5
153.09105	7.0
155.08542	5.2
156.09303	5.5
157.10133	10.1
158.11058	2.1
159.08058	51.6
159.11702	5.8
160.08870	2.5
161.09581	6.4
163.07590	6.2
163.11093	3.9
169.10120	5.9
171.10260	2.6
171.11688	5.4
173.09596	7.1
173.13249	5.5
177.09099	3.5
179.08575	3.4
181.10149	3.9
182.10915	2.6
183.11688	6.2
185.09641	4.1
185.13206	2.9
187.11194	3.4
187.14822	6.9
189.11208	10.3
192.09294	2.0
193.10158	6.1
193.12276	4.1
194.10858	2.6
195.11731	5.1
197.09674	3.8
197.13293	5.9
199.11205	4.3
199.14832	6.6
206.10979	2.5
207.11722	5.0
208.12442	3.1
209.13284	3.8
211.11333	2.0
211.14795	3.0
215.14349	11.4
218.10913	2.7
221.13246	3.9
223.14790	6.2
225.16498	2.9
233.13263	3.0
233.15361	20.0
243.17534	5.7
251.14410	4.5
253.15820	9.3
258.36230	2.3
261.18420	3.3
263.17917	3.3
271.16949	38.2
279.21112	4.2
289.17969	100.0
307.09897	3.2
307.20602	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	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28826	0.2
61.43608	0.2
70.17148	0.5
70.17468	0.4
82.99840	0.5
101.00890	3.1
119.01920	3.3
131.33255	0.2
140.98820	0.6
147.70209	0.2
158.99925	1.8
175.02957	0.2
177.00969	8.2
181.99835	0.2
182.99821	1.1
199.02962	0.4
201.00946	3.4
217.04094	1.8
219.02023	13.7
220.02234	0.3
225.00827	2.4
243.02010	13.5
244.02377	0.3
250.85374	0.2
252.24336	0.2
261.03079	100.0
262.03174	1.7
263.03619	0.4
266.03632	0.9
284.04660	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	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84997	3.1
56.96581	4.1
71.51284	3.9
101.00871	6.0
119.01900	4.1
131.01894	3.9
133.03529	3.6
143.01929	4.5
202.89166	6.5
208.99738	4.4
212.90068	3.5
221.05191	4.0
227.48051	3.7
238.05136	3.5
247.02985	4.6
289.26547	3.2
307.04483	8.2
307.07852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01863	1.1
55.05499	0.6
56.48249	0.3
67.05501	0.6
69.03423	1.2
69.07059	0.8
70.06593	0.8
71.04977	0.3
71.51922	0.3
72.08141	0.4
78.38428	0.3
79.05497	0.7
81.03412	0.6
81.07046	0.7
83.04961	0.8
83.15666	0.3
84.04502	0.8
84.08147	0.5
85.02907	0.5
85.06548	0.4
86.09681	0.6
88.03945	0.3
91.05482	0.9
93.07040	1.3
94.06559	0.5
95.04959	0.9
95.08596	0.7
96.04466	0.4
97.02882	0.4
97.06538	0.6
98.06046	0.8
99.04472	0.4
103.03926	0.3
105.07029	1.0
106.06487	0.4
107.08597	1.4
108.04465	0.6
109.02873	0.7
109.06499	0.6
109.10162	0.4
112.07572	0.5
117.07008	0.4
119.08552	0.8
120.08114	0.4
121.06474	0.5
121.10142	0.6
122.06017	1.9
123.04463	0.8
123.08054	0.4
124.07539	0.6
129.07045	0.5
130.06540	2.0
131.08554	0.8
132.04466	0.9
133.06458	0.3
133.10062	0.4
135.08083	1.9
136.07607	1.0
137.05952	0.4
138.05411	0.5
140.07083	1.9
145.06488	0.4
145.10181	0.7
146.06003	0.7
146.09631	0.4
147.06874	0.3
147.08040	0.6
147.52113	0.4
149.09561	0.5
150.05487	0.4
150.09317	0.3
151.07448	0.4
156.08113	0.3
157.06500	0.4
157.07643	1.9
158.06006	2.3
159.08006	0.5
159.09204	0.5
159.11668	0.4
160.07631	1.5
161.05968	0.3
162.09129	0.6
163.08664	1.2
168.06543	2.3
170.09644	0.5
171.08051	0.5
171.11688	0.5
173.07060	0.5
174.09167	1.7
175.08698	1.2
175.11177	0.7
176.07083	0.5
176.10751	0.4
177.06535	0.3
177.10211	1.3
178.08638	12.8
182.08130	0.6
184.07561	1.3
186.09232	0.6
187.07320	0.6
187.08702	1.2
188.07057	2.9
189.10229	0.6
190.08540	0.4
191.08194	1.0
191.10678	0.3
196.09749	0.6
198.09155	1.3
200.10825	0.5
201.06604	0.6
201.10300	2.2
202.08646	4.6
203.10588	0.4
204.10222	0.3
205.09763	2.6
206.08176	2.2
211.08754	0.4
212.07011	0.8
212.50781	0.3
215.11938	0.5
216.10283	2.2
217.09854	0.6
217.12234	0.6
219.07742	1.0
219.11311	4.6
220.09694	1.7
225.10287	0.4
226.08632	2.0
229.09770	4.1
230.08154	2.8
243.11246	1.3
244.09689	4.3
245.09296	0.4
247.10791	11.4
248.09238	1.1
254.08037	0.5
261.08746	1.4
261.12378	1.1
262.10825	1.6
265.11838	12.9
271.10831	1.9
272.09210	1.3
289.08633	0.6
289.11810	13.7
289.14255	0.5
290.10233	0.9
293.02014	0.4
307.12875	100.0
308.10001	0.3
308.13223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	28.5
57.03449	2.0
58.99854	1.8
61.02913	3.8
61.77331	1.5
69.03427	2.0
69.09657	1.6
71.51688	2.0
73.02898	3.1
73.53931	1.6
77.00900	2.1
81.03404	2.3
82.99847	6.3
84.04510	2.0
84.08138	4.9
85.02901	4.5
94.93002	2.0
97.02901	2.6
97.82598	1.6
98.97560	5.7
100.99138	9.8
101.00886	50.1
102.07655	1.5
110.97574	6.4
113.00871	7.0
115.02438	14.0
117.03321	2.8
119.01931	100.0
121.01625	1.5
126.96971	1.7
127.02413	3.0
127.03942	3.3
128.98616	6.4
129.03973	3.8
131.01920	14.2
133.03481	24.4
135.04286	1.8
137.02963	17.0
139.33168	1.7
143.01903	18.5
144.98126	4.0
144.99812	5.1
145.03503	7.3
145.04861	1.7
146.99632	5.0
147.01353	2.1
147.05026	4.8
149.03020	4.0
155.01892	9.8
157.03430	3.2
157.07594	2.4
158.06033	2.0
158.99641	2.2
159.01352	3.9
161.02965	28.1
162.99117	4.2
163.03853	10.5
165.00710	5.7
167.01976	2.0
168.99814	15.2
171.01419	2.0
172.97546	6.6
173.02986	18.4
175.04549	2.3
177.00911	2.6
177.02438	10.3
181.03432	2.6
185.02959	7.2
187.00896	31.8
189.02379	2.9
190.98613	15.9
191.02222	2.1
191.04013	5.1
196.99396	7.5
197.02971	2.9
199.00912	3.4
201.02509	2.9
202.89111	14.5
203.04063	5.5
205.01913	12.3
205.05618	1.6
208.99673	24.0
215.00366	34.3
215.04015	1.5
217.01906	5.5
217.05659	2.6
219.03532	11.7
221.02888	3.9
221.05087	6.6
227.00677	2.5
229.02005	23.7
235.03035	2.9
235.06598	2.0
239.06117	3.8
245.05119	3.7
247.03023	75.9
248.02979	1.9
251.00565	1.9
257.04916	1.9
263.05981	1.7
265.04129	13.4
270.04639	3.8
270.97400	2.4
277.07419	1.6
288.98813	10.4
289.03986	15.2
289.07236	1.9
289.08365	1.9
306.99658	4.6
307.04956	15.9
307.08234	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	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48044	1.0
54.86071	0.9
56.96559	6.9
57.03434	1.0
61.02913	3.2
64.83304	0.9
69.03448	0.9
69.79927	2.2
69.80335	3.3
70.14228	0.9
70.98117	1.2
70.99844	2.0
71.00220	0.9
78.36220	1.0
82.99830	6.0
84.04503	1.4
84.08128	1.7
85.02895	1.8
94.93027	2.0
97.01379	3.6
98.97565	1.9
100.99145	2.4
101.00882	55.6
110.97565	1.6
113.00875	5.8
113.02477	0.9
115.02434	15.2
116.98650	1.1
117.03998	2.4
119.01925	100.0
123.01221	1.3
125.00944	1.0
126.97066	1.0
126.98746	1.6
127.03860	1.6
128.98607	2.7
129.04019	6.7
131.01924	16.0
132.01799	1.5
133.02452	1.3
133.03477	23.4
135.03102	1.1
135.05077	1.3
137.02959	13.6
142.03522	1.5
143.01907	16.0
143.51921	1.1
144.98090	1.8
144.99844	4.9
145.01605	1.0
145.03452	3.0
146.99625	1.4
147.01486	1.8
147.05025	6.2
147.06056	1.2
149.02948	2.6
151.04504	1.8
155.01917	5.7
157.03455	3.9
159.01422	3.5
161.02962	22.1
163.02673	1.4
168.99829	15.3
171.01346	1.7
172.97551	2.0
172.99332	1.6
173.02988	11.8
174.03014	1.1
175.04553	1.7
177.02443	12.3
181.03590	1.0
185.02962	2.9
186.99136	1.5
187.00877	29.9
187.02589	2.1
189.02509	5.0
190.02354	1.4
190.98628	3.8
191.02356	1.7
191.04025	5.9
196.99303	9.8
197.04616	1.0
199.00858	2.2
201.02428	3.8
202.89070	5.4
203.04047	3.1
205.01952	13.8
205.03725	1.7
205.05518	1.2
207.03635	1.2
208.59596	1.2
208.99759	5.8
215.00378	42.5
217.01965	4.1
217.05569	1.7
219.01686	1.1
219.03558	12.7
221.05067	3.2
228.99673	1.4
229.01935	25.5
233.01443	4.3
235.06755	1.2
239.06139	3.7
245.05176	2.4
247.03003	77.9
248.03004	1.2
253.07703	1.1
265.04050	14.1
270.04718	1.9
288.98734	2.6
289.04044	14.1
307.05011	12.5
307.08435	4.6
307.16025	1.1
320.09534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05516	2.7
56.05044	15.1
56.96569	14.5
57.03431	2.1
57.07098	3.3
60.04532	100.0
60.71983	2.0
61.01146	10.6
69.03426	5.7
69.07075	2.2
70.02965	4.5
70.06602	19.2
70.98132	3.7
71.50896	2.9
72.08161	16.1
72.93787	2.9
73.02933	3.9
74.02448	6.5
74.06092	17.4
79.05502	2.7
83.04995	2.9
84.04511	22.1
84.08133	16.3
85.02910	9.0
85.06574	2.4
86.06072	2.6
86.09711	84.8
87.05597	15.0
88.03987	4.2
88.99206	2.6
90.05605	2.2
91.05479	2.7
92.12357	2.0
95.04980	2.6
95.08577	2.1
97.02904	6.6
98.06082	3.3
98.97574	11.1
101.07142	4.1
102.05551	62.8
104.05343	21.9
109.06529	3.5
110.07167	3.5
110.09690	2.8
111.04456	2.2
114.09221	2.3
116.03483	3.6
116.07125	2.6
116.98633	3.2
120.08121	4.6
121.06562	2.4
124.07611	2.4
126.09142	2.0
127.03927	2.3
128.98636	3.5
129.06599	23.1
129.10236	3.0
130.06607	2.4
132.10216	57.4
133.06104	37.6
137.05983	16.2
142.12328	4.7
144.10225	4.5
146.06348	8.8
146.99683	4.6
147.04492	2.5
147.07661	66.2
149.96092	3.5
150.86652	2.3
155.11819	7.1
157.06194	2.3
158.10004	3.0
159.11305	3.6
163.03964	4.3
165.00742	2.4
173.12865	16.0
174.05812	3.9
175.07162	79.6
183.11310	5.6
201.12283	6.3
202.10762	8.7
203.12126	3.0
205.00278	2.9
208.99716	4.1
219.13406	28.3
222.97478	2.4
229.11807	4.1
275.10422	4.3
288.15643	12.6
291.10065	4.6
306.12186	16.3
306.16168	10.4
306.19724	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	306.17
Annotation	Convolamine
Peak:m/z	Relative Intensity
56.96106	0.4
57.03431	2.6
71.01346	1.1
85.02909	38.5
85.57561	0.3
86.09730	0.3
95.01331	0.4
98.20739	0.6
103.03966	0.5
106.06532	0.4
113.02368	1.8
118.06551	14.4
119.07337	0.6
120.08082	0.3
123.10258	0.3
131.03377	1.8
132.08092	5.0
133.08871	2.4
134.09637	1.2
137.05943	0.5
144.07936	0.3
146.09648	4.0
147.10448	0.6
148.11214	0.5
160.11288	0.3
171.79210	0.3
176.14351	84.7
177.14635	0.5
202.15907	1.2
216.13820	0.7
246.14992	0.5
262.10831	0.4
275.91122	0.3
288.15939	1.2
306.17004	100.0
307.17191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16326	0.3
58.02953	0.4
66.04729	0.4
67.05488	0.4
69.07061	1.4
70.47118	0.7
74.51747	0.2
79.05500	1.0
81.07062	0.8
86.16391	0.3
91.05490	0.7
93.07034	0.3
94.04176	1.9
97.06564	0.3
100.07597	0.3
105.07029	0.3
107.08578	0.9
109.10175	0.7
114.09199	0.5
122.03661	6.6
126.09113	0.3
133.10106	0.5
134.18561	0.2
135.04456	0.2
135.11670	1.2
137.05988	100.0
138.06339	0.4
151.11220	0.5
153.12764	0.9
170.15422	1.6
182.15421	2.8
204.34312	0.2
240.83556	0.3
306.17612	0.2
306.20651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03945	3.4
55.05521	12.8
57.03436	2.9
57.07074	2.1
59.05008	38.0
62.85155	1.7
65.03938	4.4
67.05511	14.1
69.03429	3.4
69.07079	8.4
69.85311	9.2
73.06588	3.5
79.05495	12.5
79.93774	1.7
81.07070	13.1
83.04990	5.3
83.08631	4.8
85.06558	25.8
85.80722	1.8
91.05487	36.9
93.07060	25.6
95.04978	4.0
95.08627	13.8
97.06544	4.0
97.10178	1.8
99.04444	3.2
99.08155	2.5
105.04510	2.0
105.07047	27.1
107.08600	27.9
109.06543	8.2
109.10161	6.8
111.08107	2.4
113.06036	3.1
113.09685	1.8
115.05482	4.1
115.07462	1.8
117.07013	10.8
119.06093	2.7
119.08595	25.9
121.06561	4.6
121.09335	2.9
121.10165	36.8
123.08080	27.0
125.09652	7.7
129.07022	4.9
130.07805	4.1
131.08548	14.1
133.06488	10.1
133.10146	11.5
135.08066	20.9
135.11649	2.6
137.05952	3.3
137.09573	4.3
139.11157	3.4
141.06950	1.8
142.07819	3.9
143.08592	8.3
144.36203	1.7
145.10138	18.3
147.08052	3.7
147.11797	3.9
149.09647	26.3
150.10417	41.9
151.11201	33.9
155.08604	4.6
156.09386	5.9
157.10172	11.9
158.06209	2.0
158.10887	2.0
159.11728	7.0
161.09692	4.7
161.13322	2.3
163.11165	3.7
165.06946	2.9
165.09142	19.1
167.08597	2.6
167.10701	30.6
169.10101	5.5
170.10970	2.1
171.11714	12.1
173.09636	6.3
173.13309	7.7
175.11247	7.6
177.09221	2.0
177.12785	5.0
181.10115	5.8
182.10950	3.4
183.11771	2.7
185.09608	2.1
185.13336	2.6
187.11334	2.6
187.14833	3.4
189.12793	8.8
191.14383	4.2
193.12294	2.1
194.11047	2.1
195.11732	6.3
197.13293	10.4
199.11200	8.3
203.08516	1.8
203.14352	3.4
205.12256	19.2
205.15918	6.8
207.11755	4.1
209.13258	2.7
211.14897	4.8
213.12860	3.7
213.16440	4.8
215.14351	7.8
217.12234	2.3
222.14079	4.7
229.15897	5.4
231.08054	4.4
231.13744	2.5
233.15373	4.4
237.16415	9.9
245.09601	3.6
247.07503	2.6
247.17043	2.6
254.16823	2.5
255.17458	16.0
262.10114	3.2
269.19104	7.5
273.09207	2.1
273.18567	5.7
274.09991	4.8
284.14514	2.7
287.20105	67.3
290.09375	3.6
305.11807	27.5
305.21182	100.0
305.24640	8.0
305.30389	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	306.1121
Annotation	N-Acetyldehydroanonaine
Peak:m/z	Relative Intensity
55.01873	2.1
56.05037	26.2
56.96566	3.8
60.04533	11.0
61.01154	21.7
69.03452	1.9
69.07098	1.4
70.02945	3.0
70.06594	7.6
71.52029	2.0
72.08158	6.4
74.02438	16.0
74.06097	3.6
81.03428	2.0
81.07058	1.4
84.04510	7.2
84.08149	7.4
85.02894	4.5
85.06532	1.2
86.06059	1.3
86.09709	10.7
87.04485	1.6
87.05596	28.0
88.04008	5.7
93.07049	1.8
95.08589	1.6
96.37408	1.3
97.69897	1.2
98.06063	11.3
98.97598	3.6
102.05539	5.6
104.05339	43.2
107.08630	1.4
109.06546	1.7
110.07134	1.6
116.03458	6.6
116.07079	1.4
116.98666	1.2
120.08118	4.8
124.07594	1.4
129.06613	2.4
129.10287	1.7
132.10217	6.7
133.06099	100.0
137.05972	9.3
142.08630	1.4
142.12294	3.4
144.06554	3.7
144.10185	2.6
146.06345	20.0
147.07629	6.2
159.09235	2.3
163.03925	1.2
173.12866	1.8
174.05882	11.6
175.07147	8.8
188.05191	1.3
188.06976	1.6
202.10754	3.5
219.13393	3.4
263.10233	1.5
306.12186	3.7
306.15567	2.5
306.20309	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	305.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35624	0.2
55.05505	0.4
56.05030	0.6
57.03437	0.8
58.79910	0.2
67.05502	0.9
69.03417	0.5
70.06597	0.3
70.29883	0.4
70.30279	0.4
71.80023	0.2
75.35355	0.2
78.40302	0.2
79.05508	0.3
81.07050	0.8
84.04507	7.8
84.08151	0.3
85.02908	13.2
86.06068	0.7
87.04453	0.5
91.05483	0.5
93.07040	0.7
95.01321	1.2
95.04982	0.2
95.08607	0.9
97.02943	0.3
102.05547	5.6
102.06194	0.5
105.07027	0.7
107.08601	0.9
109.06497	0.4
109.10143	1.3
112.03989	1.1
113.02353	1.3
117.05688	0.3
118.06546	5.4
119.08561	0.4
121.10160	0.7
123.08085	0.7
125.09645	0.3
127.11182	0.3
130.05008	39.5
132.08070	2.0
133.08884	1.0
133.10077	0.2
134.09622	0.4
135.11659	0.3
136.07588	1.3
146.09654	2.2
147.11639	0.4
160.11345	0.3
164.07104	0.8
176.14349	100.0
177.14746	0.6
198.87578	0.3
202.15906	0.8
216.13895	0.4
231.14786	0.3
245.09505	0.3
245.12860	0.4
259.16870	0.3
269.12878	0.3
287.13727	0.3
288.15924	5.0
305.05420	1.6
305.11340	0.8
305.15295	1.7
305.18582	36.2
306.18896	0.4
307.58789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03946	4.5
55.01879	5.7
55.05510	33.8
56.96558	5.4
57.03429	11.2
57.07074	8.3
59.04996	5.4
59.31696	3.6
63.33785	3.3
67.05507	31.4
68.38824	3.7
69.03436	8.4
69.07082	35.7
71.04986	5.1
79.05501	28.1
81.07053	55.7
83.04984	15.1
83.08628	21.5
85.06538	6.1
87.54254	3.3
91.05489	36.8
93.07052	100.0
95.04967	20.3
95.08607	74.1
97.06536	19.8
97.10188	9.4
98.21474	7.4
105.07038	48.9
107.04934	5.7
107.08607	59.0
109.06528	34.9
109.10165	37.7
111.08103	8.7
113.06008	3.6
116.10004	3.0
117.07010	9.8
119.08589	54.9
121.06542	12.3
121.10152	74.4
123.08055	16.8
123.11723	17.7
125.05985	4.4
125.09639	15.2
128.06281	5.6
129.07001	10.3
131.08577	49.6
133.10144	45.2
135.08061	15.2
135.11700	17.1
137.05984	7.3
137.09613	11.1
137.13243	7.2
139.07593	6.4
139.11148	6.7
141.06972	4.0
142.07784	9.6
143.08572	33.5
144.09346	10.2
145.10129	34.7
147.08066	12.5
147.11694	27.6
149.09619	47.4
149.13248	13.4
150.62709	4.2
151.07564	12.1
151.11188	6.7
155.08510	6.7
156.09366	5.5
157.10149	37.7
158.10945	7.2
159.08046	7.3
159.11703	50.2
161.05939	4.7
161.09648	16.9
161.13283	11.8
163.11153	4.4
165.06943	5.3
165.09108	19.6
167.10674	13.0
169.10211	9.6
170.10837	6.7
171.11723	25.0
173.09583	6.9
173.13243	53.1
174.13994	7.4
175.11218	8.9
175.14835	10.7
177.12770	12.1
179.10684	6.5
183.11700	10.9
185.09637	4.9
185.13234	23.2
185.49934	3.5
187.11177	14.9
187.14827	13.2
189.12732	6.5
191.14297	7.2
195.11745	8.5
197.13292	5.8
199.14783	22.2
201.12784	5.1
201.16341	4.7
202.07919	4.3
203.14406	9.6
205.12209	5.3
209.13245	7.1
211.14819	16.4
213.12840	7.0
213.16454	18.4
215.17953	10.9
217.12112	4.7
217.15863	4.1
219.08057	5.2
223.10957	4.0
224.08089	11.1
225.16412	5.4
227.14252	6.3
227.18022	4.8
229.15933	4.3
231.08084	11.7
231.13824	8.8
241.19505	12.3
243.17520	7.1
243.25180	5.7
245.09663	14.2
245.15401	6.3
246.10609	4.6
247.07576	11.2
247.13461	5.2
251.18002	4.3
259.07394	4.3
259.20581	5.6
261.09171	5.7
262.09915	12.7
263.16367	5.9
269.19028	17.4
273.09134	6.5
273.18451	8.7
274.09888	19.4
287.16785	7.7
287.20056	45.1
290.09344	15.0
305.11761	94.5
305.17371	44.1
305.21133	90.7
305.24710	22.9
305.28445	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86285	0.5
53.03951	1.5
55.01877	0.7
55.05515	3.0
56.05035	1.1
57.03425	1.0
57.07077	1.0
61.01152	0.8
65.03934	0.6
66.12346	0.4
67.05505	7.2
69.03408	1.2
69.07072	3.7
69.70377	2.7
70.06596	6.0
71.04987	0.4
77.03926	0.5
79.05482	3.7
81.03409	0.4
81.07059	9.4
81.58121	0.4
82.06615	0.4
83.04976	0.8
83.08630	1.6
83.27749	0.5
84.08169	0.9
85.06543	1.0
86.09702	3.4
88.04012	0.5
91.05486	5.3
93.05763	0.5
93.07043	7.8
94.06568	0.8
95.04970	2.1
95.08621	5.8
96.08144	0.6
97.02895	0.6
97.06522	1.5
97.10177	0.8
104.05329	1.6
105.07021	2.5
107.04977	0.6
107.08604	4.3
108.04462	0.5
108.08122	1.7
109.06535	0.9
109.10157	12.6
111.02679	0.4
111.08100	0.8
112.07618	3.2
117.07021	0.8
119.08587	2.4
120.19338	0.4
121.06495	0.7
121.10139	2.8
122.06023	4.4
123.08056	1.0
123.11720	2.9
124.07600	9.3
125.09670	1.0
126.05536	1.1
127.11235	0.8
128.10722	1.0
129.06973	0.8
130.05016	0.5
130.06602	0.5
131.08582	1.0
132.10216	0.8
133.10136	1.3
135.08058	1.9
135.11693	1.9
136.07584	100.0
137.09637	1.1
138.09132	0.7
139.11188	0.9
140.07063	3.8
146.06262	0.6
147.08054	0.7
147.11702	1.5
149.09631	0.9
149.13255	1.4
150.05772	1.8
152.07074	18.9
153.09175	0.5
155.10713	1.2
157.10184	0.7
158.06018	0.7
159.11731	1.0
161.09607	0.7
161.13271	1.2
163.11191	1.0
164.07076	80.7
166.08586	0.5
167.10696	0.8
167.14278	0.5
170.08144	5.6
173.11794	1.1
173.13290	0.9
174.05775	0.5
175.14857	0.9
176.14389	1.0
177.12759	1.0
179.14342	1.7
182.08159	18.0
184.09868	0.5
187.11244	0.6
189.16316	0.7
191.14262	0.5
202.08549	1.2
205.15944	0.7
217.19556	0.4
231.15028	0.6
245.11906	0.6
259.14362	0.6
263.12772	0.6
287.11221	0.8
287.13950	7.5
287.16794	0.9
287.23682	1.5
290.09268	0.7
305.05014	0.4
305.08002	1.2
305.11603	3.4
305.15039	3.9
305.17386	0.7
305.24753	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	305.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05039	0.4
57.03428	0.9
67.05508	3.0
69.03417	0.7
69.07075	1.3
70.06597	19.7
71.04993	1.1
71.52394	0.4
79.05501	0.9
81.03407	0.3
81.07067	3.9
83.08638	0.5
84.04509	7.5
84.08144	0.6
85.02914	12.3
85.06554	0.6
86.06101	0.6
86.09743	0.3
87.04459	0.6
91.05478	1.1
93.07055	1.6
95.01337	1.2
95.04980	0.5
95.08616	2.4
97.06535	0.5
97.10167	0.3
98.97611	0.6
102.05542	6.1
105.07054	1.2
107.08610	1.8
109.06503	0.5
109.10170	4.7
111.08095	0.4
112.03975	1.1
112.07614	18.4
113.02393	0.7
116.07082	0.7
116.98629	0.5
117.07069	0.5
118.06549	7.4
119.08570	1.3
120.08124	0.6
121.06521	0.4
121.10182	1.3
123.08108	0.6
123.11713	1.1
125.05990	0.3
125.09634	0.3
130.05009	41.3
131.08563	0.6
132.08095	1.0
133.08879	0.6
133.10133	1.2
134.09702	0.4
135.08054	0.5
135.11696	0.8
136.07558	0.4
137.05998	0.3
139.11194	0.3
140.07077	11.3
143.08601	0.4
144.08096	0.3
145.10068	0.3
146.09641	1.7
147.11691	0.4
148.08780	0.3
149.13283	0.3
151.11162	0.7
155.10648	0.3
157.04486	0.3
157.10217	0.5
158.06052	0.3
159.11671	0.6
161.09482	0.3
161.13275	0.4
164.07066	0.9
165.12766	0.3
173.11766	0.9
173.13152	0.5
176.14355	100.0
177.14706	0.5
178.76376	0.2
184.81699	0.2
202.15889	0.9
215.17990	0.4
216.13841	0.8
217.12059	0.3
245.11705	0.5
251.20000	0.8
259.18341	0.3
269.21155	0.6
274.10153	0.3
287.16782	0.3
287.23608	0.5
288.15997	5.0
305.05313	0.6
305.11343	1.2
305.15350	1.4
305.18591	36.2
305.24698	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69210	1.2
53.03933	1.5
55.01875	3.5
55.05517	1.8
56.05032	4.2
56.96558	3.2
57.03436	5.3
58.06591	2.4
60.04530	11.3
61.02924	4.9
63.46510	1.2
67.05495	2.9
68.05042	1.4
69.03438	14.7
69.07071	38.1
69.89692	1.3
70.06599	19.0
71.04999	2.9
71.08634	17.1
71.51965	1.1
72.08163	7.9
74.06064	1.6
78.64307	1.2
79.05497	1.9
81.03421	8.4
81.07050	3.8
83.04972	1.4
84.04494	6.5
84.08148	12.9
85.02908	56.4
86.02419	4.1
86.06069	1.6
86.09705	23.8
87.04477	2.5
87.05589	1.5
87.10021	1.9
88.04026	2.0
91.05479	3.0
93.07030	3.1
94.06574	3.6
95.04961	2.7
95.08614	2.5
96.04494	2.0
96.08128	4.2
97.02899	40.3
97.06519	6.2
98.06069	1.3
98.09705	2.8
98.97571	4.1
99.04467	1.6
100.07635	1.4
103.03912	6.5
104.07100	2.2
109.02859	11.2
110.02424	1.6
110.07127	2.0
112.08736	2.3
114.05549	3.2
114.09176	17.7
115.08676	1.6
116.07110	3.9
119.04955	2.3
119.08556	1.6
119.61462	1.2
120.08089	5.5
121.02859	1.3
123.08031	2.5
124.07631	3.2
127.03929	13.7
127.08731	1.6
128.10751	2.3
129.10251	4.2
130.06534	5.0
132.10251	2.5
134.05994	1.3
134.08160	2.4
136.07571	2.2
137.05946	2.4
138.09167	2.6
142.08641	100.0
143.11824	2.5
145.04974	6.5
146.06003	1.9
153.01863	1.5
156.10243	3.0
165.06975	1.6
165.09114	2.3
167.07121	2.4
173.05682	1.9
173.12894	8.8
173.81723	1.4
183.08066	4.2
183.09970	1.4
184.09695	64.5
185.09209	4.1
194.07294	2.6
195.08081	2.3
201.12363	2.7
202.05740	1.4
208.09702	15.2
211.07512	4.3
220.09529	1.8
223.07545	23.0
238.10655	2.3
239.02318	1.4
242.09233	2.5
250.10706	8.1
255.08710	3.6
258.04916	1.6
260.10446	1.7
268.09570	7.8
286.13834	2.4
286.17175	2.3
291.09357	1.5
304.05237	18.5
304.11780	3.7
304.13943	4.6
304.16962	2.0
305.15704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34443	0.5
55.94291	0.4
56.96569	39.8
57.03439	0.5
61.02948	0.7
69.03416	0.9
69.86784	2.5
69.87113	0.4
70.06587	0.8
70.97736	1.0
70.98126	20.9
71.95274	4.5
72.08160	1.1
72.96059	1.3
74.97599	0.8
77.71934	0.5
78.55325	0.4
81.04563	0.5
84.08127	0.6
84.96038	3.6
85.02881	1.2
86.09702	1.1
88.99165	5.1
97.02937	0.5
98.97588	100.0
101.00902	1.3
107.00197	0.6
110.97574	7.5
112.99151	2.0
113.03484	0.9
113.52803	0.5
115.00707	2.1
115.02467	0.6
116.98630	35.2
119.01937	1.0
124.95492	12.2
124.99120	7.7
126.97044	0.8
127.00711	0.9
128.98605	7.9
129.02309	0.5
131.00185	3.5
133.01701	0.9
133.03438	1.0
134.99649	6.8
138.97063	2.0
139.13907	0.5
140.00183	0.9
140.98610	3.1
140.99590	0.5
142.96530	7.4
143.00169	12.3
143.01889	0.7
143.08186	1.4
144.98096	1.2
145.01762	1.8
145.03455	0.7
146.99661	5.5
149.01198	1.3
152.94940	3.5
152.98611	0.6
154.96516	3.3
155.01930	0.6
156.98090	5.6
158.99660	8.8
159.00888	0.7
160.97636	1.6
161.01254	5.4
161.02983	1.0
162.99110	0.8
165.00772	1.6
170.01094	0.5
170.96024	11.9
170.99734	0.7
172.94432	0.5
172.97591	8.0
173.01251	1.5
173.02945	1.1
173.06500	0.5
174.99173	8.1
177.00731	7.5
177.02211	0.6
177.04321	1.0
179.02548	0.5
182.99808	0.9
184.97588	6.8
185.01311	0.7
186.99217	2.8
188.97075	12.7
189.00751	6.0
190.98660	5.6
191.02281	1.6
191.03949	0.5
193.00198	4.5
195.01836	1.5
196.97693	0.7
201.00713	2.9
202.98640	14.9
203.00558	0.8
203.02292	1.1
203.04034	1.5
205.00241	3.4
206.98170	3.2
207.01770	3.9
208.99704	0.6
212.97118	4.2
213.03668	1.1
214.95486	0.9
214.98643	4.6
216.98732	0.4
217.00290	4.0
219.01886	1.8
220.99715	13.7
221.05312	0.5
223.01288	0.8
230.98129	14.6
231.00240	1.0
232.96437	0.8
232.97180	0.7
232.99687	6.4
235.01236	3.8
237.02812	1.0
239.00827	1.6
244.99725	6.7
245.05246	1.0
247.01254	0.6
248.99200	6.2
251.00864	1.5
254.99692	0.5
263.00739	13.9
272.99081	1.0
275.00662	1.5
281.01828	7.0
305.01755	1.1
305.05472	2.8
305.11432	1.3
323.02924	0.6
323.06427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	Aspergin
Peak:m/z	Relative Intensity
52.64084	1.2
53.03956	2.6
55.05502	5.3
56.96553	2.0
57.07069	4.0
59.04985	1.9
67.05178	2.3
67.05509	24.5
69.03422	2.3
69.07047	3.9
69.45029	7.5
72.08162	1.7
74.02289	1.3
79.05490	8.0
81.03387	1.5
81.07063	8.3
83.04977	2.3
83.08615	8.1
85.06559	1.6
91.05476	7.9
93.07051	12.9
95.04973	18.7
95.08615	100.0
97.06532	4.7
98.21590	1.8
105.07050	10.0
107.08601	18.4
109.06511	1.6
109.10156	4.5
111.08082	3.4
117.07024	2.9
119.08579	5.8
121.06515	3.7
121.10169	6.4
123.04374	1.4
123.08077	24.2
125.09627	3.5
126.43256	1.3
129.07016	1.9
131.08546	5.2
133.10155	7.2
135.08061	16.9
135.11690	3.8
137.05983	2.3
137.09625	1.7
143.08493	1.4
145.10123	2.8
147.08064	2.6
147.11653	2.7
149.09590	3.6
151.07552	18.5
153.09131	1.6
155.10638	5.1
159.08067	3.8
159.11713	2.2
161.09651	3.1
161.13216	1.6
173.13243	2.0
175.11078	1.5
179.14246	1.5
189.09117	1.8
189.12735	4.0
197.11740	2.4
199.14755	1.7
201.12750	2.7
203.14462	1.8
203.63208	1.4
207.10258	1.8
207.13866	1.8
221.15431	2.9
227.14357	2.5
229.12389	1.6
243.17456	1.6
245.15427	1.7
247.13293	1.6
261.18488	2.8
281.10696	1.8
285.18637	7.7
288.05273	6.5
303.04584	8.7
303.07944	7.8
303.16205	1.9
303.19595	38.0
303.22906	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
57.08905	0.3
57.57405	0.3
65.03940	2.9
67.05504	1.2
69.03428	0.7
69.07063	1.5
70.06600	0.5
70.09083	0.4
70.09425	1.4
71.05005	0.4
71.52293	0.3
79.05482	1.2
81.07066	2.7
83.04993	0.4
83.08594	0.5
85.02898	0.6
86.09714	0.7
91.05489	1.9
92.05028	2.2
93.07069	1.8
94.06574	0.5
95.04971	0.9
95.08619	1.8
96.08143	0.7
97.02892	2.9
97.06517	1.3
103.05450	0.7
105.07032	2.2
107.08601	1.4
109.06522	1.0
109.10165	0.7
111.08086	0.8
115.05453	0.6
116.98662	0.4
117.07008	0.4
119.08595	1.7
120.04479	1.4
120.08104	3.1
121.06516	0.8
121.10150	1.1
122.03661	0.5
122.09673	0.7
123.08075	0.5
123.11739	0.6
129.07019	0.5
131.04916	0.5
131.08586	0.4
132.08061	0.3
133.06459	0.4
133.10120	1.3
134.05971	0.5
135.08063	0.6
137.05986	8.3
137.13203	0.4
138.05505	22.1
138.09142	9.5
142.07758	0.4
143.08609	0.4
144.08041	0.5
145.10115	1.3
146.32869	0.4
147.04425	0.4
147.11673	2.5
148.03954	3.0
148.05034	0.6
149.09547	0.5
150.09140	0.9
151.07646	0.6
153.06999	0.5
155.08598	0.6
157.08870	0.4
157.10135	1.0
159.11754	0.8
161.09612	0.4
163.04994	1.0
165.07037	1.1
165.12814	1.2
166.05016	37.1
169.08821	0.6
173.09625	0.4
174.09129	0.6
175.11224	0.7
179.05188	0.3
182.12567	0.6
183.08023	0.7
184.11197	1.7
185.08449	0.5
186.12817	0.9
193.12283	0.5
196.09938	0.8
197.08359	0.5
198.09251	0.5
200.09421	0.6
201.05414	0.5
201.10368	0.6
201.13971	0.5
211.07576	0.6
211.12386	1.5
212.10707	4.3
213.13885	0.4
214.12355	4.1
216.10327	0.4
217.12201	0.5
219.06557	5.1
228.08829	0.5
229.09769	0.9
229.13533	2.1
230.11774	1.5
232.13261	2.9
235.13297	0.7
239.11821	2.2
240.10231	1.3
241.13223	1.1
242.11890	3.4
243.07782	0.5
243.11174	1.1
244.91994	0.4
256.08392	3.1
257.09341	1.5
257.12891	11.1
258.11166	0.4
259.11990	0.8
260.12802	3.1
267.11307	2.4
268.09763	0.9
271.09747	1.2
272.11560	13.1
274.09500	7.0
274.12292	0.6
275.05109	0.3
275.10385	1.0
275.13889	5.2
280.12640	0.4
285.12347	16.6
285.17044	1.5
286.10709	1.3
288.05432	0.5
303.07907	4.1
303.13397	100.0
304.13718	0.7
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
53.03948	0.2
55.01867	0.3
65.03938	0.5
67.01858	0.3
67.05484	0.3
67.49871	0.1
68.99434	0.2
68.99784	1.7
69.03404	0.2
69.07076	0.1
69.80423	0.5
70.06591	0.3
74.14797	0.1
79.05470	0.1
81.03419	0.5
84.08144	0.1
86.09688	0.5
91.05473	0.2
92.02592	0.1
93.03419	0.6
95.04978	0.8
95.08605	0.2
98.20879	0.2
105.03386	0.2
105.07015	0.1
107.04928	0.2
107.08584	0.1
109.02889	1.1
110.03662	0.1
111.00799	1.9
115.05463	0.2
116.07079	0.4
117.06996	0.3
119.04918	0.1
121.02863	1.8
123.04431	0.6
127.03892	0.4
131.04904	0.4
133.02856	0.2
133.06480	0.1
135.04422	0.5
137.02342	7.2
137.03363	0.3
137.05920	0.2
143.04884	0.2
145.06456	0.5
149.02342	1.0
153.01828	9.8
155.04926	0.8
159.04427	0.3
161.06024	0.6
163.03918	1.1
165.01849	3.9
166.02615	0.5
173.02406	0.2
173.06012	1.3
177.01796	0.2
177.05475	0.3
179.03406	0.3
183.02892	1.2
183.04428	0.9
185.06100	0.1
187.03911	0.8
191.03403	0.3
191.07059	0.2
195.02859	0.4
201.05469	4.0
205.01283	0.1
205.04935	0.3
207.02908	0.3
211.03922	0.3
213.05515	0.3
215.03352	0.3
219.02925	0.3
219.06564	0.7
228.04233	0.6
229.04965	8.8
230.05455	0.1
232.03688	0.2
239.03519	0.6
247.06030	1.1
256.03735	0.1
257.04437	5.1
258.05032	0.1
274.04724	1.5
275.05508	0.3
285.03918	2.5
285.12186	0.2
286.04636	0.2
288.05280	0.1
303.04980	100.0
304.05283	1.0
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
56.96561	21.7
57.03429	21.9
60.66196	6.8
61.02923	28.4
69.03423	26.6
69.53123	58.9
71.04977	9.1
72.08147	18.1
73.02950	10.4
84.08113	9.9
85.02906	44.6
97.02904	14.1
98.01328	9.4
98.97569	37.6
101.00882	8.2
103.02464	11.4
105.01977	8.5
110.01306	10.3
110.97578	14.7
116.98609	10.1
119.01856	23.8
124.87083	8.6
126.97067	8.1
127.03915	19.2
128.02354	9.8
128.98593	16.7
131.01895	21.4
145.05003	10.3
156.98155	11.4
158.99544	11.4
166.44435	8.3
170.99680	8.3
174.99126	24.3
183.02328	13.3
185.03035	8.8
191.03903	19.7
193.00194	12.0
199.00932	17.1
200.04355	25.4
204.02875	10.2
213.03534	45.1
213.05215	17.8
219.01785	11.1
222.03899	12.1
231.03575	10.6
237.02817	11.5
258.91907	8.7
260.26450	9.2
294.06168	14.2
303.08438	100.0
304.92456	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.05507	2.9
56.05038	3.5
56.96308	2.5
56.96566	40.9
57.03437	12.4
61.02930	19.5
67.05502	2.9
67.82200	1.9
69.03435	22.5
69.07072	3.9
69.89199	9.7
70.06579	8.4
70.98125	6.5
71.01355	1.9
71.95224	2.1
72.08148	4.2
73.02907	11.8
74.02428	2.7
74.06071	5.5
81.03418	6.4
81.83460	1.8
82.62868	2.1
83.82549	1.9
84.04507	5.5
84.08150	25.4
84.96030	5.8
85.02916	38.7
86.09709	13.2
87.04474	4.5
88.03976	5.2
97.02911	16.1
98.01280	3.1
98.21493	3.5
98.97593	100.0
99.04449	3.9
100.99185	2.2
101.00867	4.0
109.02843	4.4
110.01266	5.5
110.07166	12.6
110.97575	19.8
112.08749	2.4
116.03473	2.4
116.98629	23.9
117.00179	2.2
118.00956	2.8
119.01842	11.8
124.95546	4.1
125.01777	2.2
127.03949	11.5
128.02303	13.1
128.98616	21.4
129.10223	9.9
130.08685	2.8
131.01849	3.5
133.06105	4.5
134.04477	6.9
134.99654	4.9
137.05984	5.1
140.02289	2.1
140.07089	2.2
140.98590	6.2
142.96509	2.5
143.00142	3.9
143.11786	4.0
144.98093	4.0
145.04932	7.2
146.02315	2.1
146.99638	6.4
152.02310	2.4
152.98560	2.9
155.04678	3.0
156.03262	3.7
156.98058	6.7
157.03636	3.3
157.82162	2.1
158.99670	39.8
159.03252	3.4
161.01352	2.0
161.02855	5.3
162.01796	4.3
168.98280	2.0
170.96027	2.1
170.99669	5.6
172.94278	2.2
172.97560	3.4
173.01335	3.3
173.02727	2.5
174.01811	3.9
174.99185	17.9
175.10777	2.4
177.00757	22.0
177.02304	3.9
177.04175	3.7
182.03374	4.2
182.99683	2.6
183.02304	3.4
184.97566	3.6
185.03012	2.1
186.04497	4.4
186.99080	4.4
187.04689	7.0
188.97067	4.3
189.00768	9.8
189.02213	2.1
190.98672	4.3
191.03856	9.5
192.02841	4.3
193.00255	11.4
193.01752	2.3
200.04425	10.0
201.00735	6.6
202.98706	4.4
203.03967	2.4
204.02901	15.0
204.04549	2.8
205.00215	3.0
208.99817	2.4
209.04959	3.6
213.03400	35.7
213.05345	3.6
213.53561	2.4
217.00182	3.8
219.01794	18.4
220.99596	2.9
222.03903	14.2
230.98184	4.0
232.99637	2.5
233.03241	2.7
235.01305	3.0
237.02760	11.8
244.99495	2.4
247.01190	2.6
263.00745	4.1
264.04926	3.3
275.00858	2.4
279.03796	5.5
285.04990	5.0
288.05331	3.7
294.05972	5.7
303.05133	7.4
303.08273	21.7
303.17819	4.1
305.01846	3.9
321.08563	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	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26455	0.1
53.03934	0.1
55.01880	0.4
55.05063	0.1
65.03949	0.4
67.01860	0.3
67.05490	0.2
68.99443	0.1
68.99790	1.7
69.03413	0.2
69.07076	0.1
70.79166	0.1
70.82240	0.2
72.90083	0.1
79.69587	0.1
81.03419	0.8
81.07047	0.2
83.04974	0.1
84.08142	0.3
86.09703	0.2
91.05473	0.3
93.03419	0.6
93.07008	0.1
95.04947	0.8
95.08601	0.1
97.02897	0.1
97.29081	0.1
103.05499	0.1
105.03403	0.2
105.07050	0.2
107.01322	0.1
107.04958	0.2
107.08562	0.1
109.02875	1.0
109.10139	0.1
110.03682	0.1
111.00807	1.8
111.04422	0.1
115.05467	0.2
115.79050	0.1
117.07013	0.4
118.06550	0.4
119.04910	0.2
119.08547	0.1
121.02874	2.1
121.10149	0.1
123.04427	0.7
125.02409	0.1
127.03923	0.4
129.06961	0.2
129.10236	0.1
130.06544	0.7
130.08643	0.3
131.04915	0.4
132.08122	0.5
133.06490	0.1
135.04414	0.4
137.02353	7.2
137.03413	0.5
137.05885	0.4
143.04897	0.1
144.08080	0.5
145.02849	0.1
145.06483	0.7
146.06018	1.6
149.02345	0.9
149.09621	0.1
151.03983	0.2
153.01834	9.0
155.04893	0.8
155.06035	0.1
157.06470	0.1
159.04454	0.3
159.09183	0.1
161.06004	0.5
163.03925	1.3
165.01843	3.8
166.02643	0.5
167.03476	0.1
170.06059	0.1
173.02377	0.1
173.05988	1.2
177.01859	0.2
177.05452	0.2
179.03381	0.4
183.02888	1.3
183.04448	0.8
184.05161	0.1
185.05936	0.1
186.12819	0.2
187.03917	0.7
188.07077	1.6
191.03432	0.3
191.07021	0.2
193.12302	0.2
195.02873	0.3
196.11234	0.1
201.05476	4.0
205.01381	0.1
205.05011	0.5
207.02907	0.3
211.03929	0.3
213.05470	0.3
215.03404	0.2
217.04909	0.2
219.02979	0.2
219.06529	0.5
228.04279	0.5
229.04973	8.9
232.03720	0.1
233.04544	0.1
239.03407	0.2
242.11774	0.7
243.11053	0.1
245.04552	0.1
246.05328	0.2
247.06003	1.4
257.04453	4.9
258.05255	0.1
259.14465	1.9
267.03033	0.1
274.04755	1.2
275.05441	0.4
285.03900	2.2
286.04660	0.1
300.71774	0.1
303.04993	100.0
304.05304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01860	0.2
55.92243	0.2
59.81340	0.2
64.21484	0.2
64.83660	0.2
65.03924	0.6
68.99788	1.8
81.03413	0.5
93.03394	0.6
95.04969	0.6
98.21616	0.5
99.68261	0.2
109.02852	1.0
111.00816	2.0
113.91888	0.2
115.05418	0.2
116.14030	0.2
117.07016	0.3
119.04942	0.3
121.02882	1.6
123.04447	0.8
127.03886	0.4
128.90973	0.2
131.04858	0.2
135.04385	0.4
137.02350	7.1
137.03409	0.7
145.06520	0.5
149.02309	0.5
153.01831	8.6
155.04906	0.8
159.04439	0.4
161.05991	0.6
163.03925	1.2
165.01852	3.7
166.02635	0.4
172.08328	0.2
173.06015	1.2
177.01836	0.3
177.05432	0.2
178.99937	0.2
179.03381	0.3
183.02867	1.4
183.04431	0.6
187.03886	1.0
195.02908	0.4
201.05469	4.2
207.02832	0.3
211.03938	0.4
215.03397	0.2
219.06508	0.5
228.04182	0.6
229.04965	9.2
234.66861	0.2
239.03453	0.5
247.05968	1.2
257.04449	5.1
274.04718	1.0
275.05710	0.3
285.03909	2.4
303.04987	100.0
304.05389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.7
61.15643	0.2
71.06773	0.2
71.07118	0.2
75.35400	0.2
76.25954	0.2
82.99866	0.5
91.24512	0.2
98.97594	8.6
99.97925	0.3
100.97205	0.3
101.00893	2.8
102.96886	0.5
116.52689	0.2
116.98634	3.8
119.01936	3.9
134.99683	1.2
137.02979	0.7
140.98825	0.8
158.99907	1.9
165.99771	0.2
177.00969	9.3
178.01060	0.5
182.99895	1.0
199.02962	0.4
201.00960	3.4
206.16327	0.2
217.04137	2.6
218.04041	0.2
219.02025	16.9
220.02133	1.0
221.01932	0.7
225.00847	2.5
242.98410	0.4
243.02002	11.9
244.02153	0.7
261.00000	3.1
261.03076	100.0
261.97229	0.4
262.00024	0.6
262.03186	5.7
263.03418	0.4
266.03558	0.2
273.03009	0.3
278.97192	0.3
279.00586	3.2
279.98209	1.9
280.01016	1.0
284.04663	1.7
284.99921	1.9
285.04880	0.4
296.97910	0.2
301.01102	0.4
303.00797	2.0
303.04422	2.5
307.76111	0.2
320.97998	0.5
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
53.03933	0.2
53.57446	0.1
55.01873	0.6
55.05489	0.1
55.08490	0.1
65.03936	0.4
67.01867	0.3
67.05502	0.5
68.99787	1.9
69.03417	0.4
69.07065	0.2
70.06585	0.2
71.52465	0.2
72.08161	0.1
74.06071	0.1
76.39370	0.1
79.05481	0.3
81.03413	1.1
81.07072	0.6
83.04969	0.2
84.08138	0.3
85.02909	0.2
86.09706	1.2
87.00835	0.3
87.10023	0.4
91.05479	2.3
93.03391	0.5
93.07038	0.4
95.04973	1.1
95.08593	0.5
97.02843	0.1
97.06506	0.2
98.06046	0.2
103.05463	0.6
105.03451	0.2
105.07052	0.6
107.04958	0.2
107.08571	0.3
109.02879	1.3
109.06489	0.2
110.03676	0.3
111.00809	1.7
115.05445	0.6
116.07127	0.1
117.07030	0.5
118.06536	0.1
119.04951	0.4
119.08578	0.5
121.02854	1.9
121.06550	0.1
121.10191	0.1
123.04435	0.7
123.08068	0.9
127.03938	0.7
128.06235	1.8
129.07018	1.6
130.06490	0.2
131.04935	0.6
132.10161	0.2
133.06491	0.3
135.04428	0.5
136.07535	0.2
137.02348	6.8
137.03409	0.4
137.05949	0.6
141.06961	0.5
141.09125	0.1
143.07509	0.2
143.08577	2.2
143.11761	0.4
144.12128	0.4
145.02898	0.2
145.06470	0.8
146.06017	0.3
147.04378	0.2
147.08051	0.2
149.02304	0.7
149.09612	0.4
151.03868	0.2
151.07541	1.3
152.06250	0.2
153.01828	9.0
153.06989	0.9
155.04915	1.0
155.05972	0.2
155.08546	0.2
157.06505	0.4
159.04414	0.3
160.05228	0.1
161.05984	0.7
163.03900	1.1
163.07530	0.2
165.01830	3.4
165.07080	0.2
166.02618	0.4
169.06479	0.5
171.08041	1.3
171.11362	0.2
173.02361	0.2
173.05981	1.4
177.05499	0.3
179.03369	0.2
181.06471	1.2
183.02892	1.4
183.04442	0.8
183.07979	0.2
185.05937	0.2
187.03891	0.8
188.07117	0.2
191.03403	0.2
191.07004	0.2
193.12337	0.6
195.02937	0.3
197.05951	0.5
199.07526	3.2
201.05466	3.9
205.04927	0.4
207.02917	0.2
211.03947	0.3
211.07556	0.2
213.05537	0.4
215.03358	0.2
217.08595	0.6
219.02988	0.2
219.06529	0.4
226.08554	0.2
228.04126	0.5
229.04964	8.4
232.03691	0.2
237.92128	0.1
239.03372	0.4
243.06589	0.3
247.06076	1.2
249.18593	0.1
257.04434	4.9
258.05136	0.1
259.14502	0.1
261.04117	0.1
267.16003	0.2
271.09689	0.2
274.04794	1.2
285.03922	2.0
285.12140	0.2
288.05362	0.3
303.04987	100.0
304.05316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2078
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
52.15738	0.3
55.05521	0.5
64.30221	0.3
67.05505	1.0
67.91524	0.3
69.03438	0.4
69.07068	4.5
70.06600	1.1
70.75594	0.7
72.08164	0.9
73.73901	0.3
75.05170	0.5
75.05606	10.3
79.05505	0.6
81.07048	1.1
83.04994	0.9
84.08167	0.7
86.09710	100.0
93.07060	0.8
95.04972	0.5
95.08591	0.6
98.06076	0.9
105.07012	0.4
106.05041	0.7
107.08586	0.7
115.83356	0.3
116.07082	0.5
119.04869	0.3
120.08101	0.5
121.06466	0.6
122.06887	0.4
132.10213	12.1
137.02312	0.6
143.11806	78.6
144.06552	0.7
144.12079	0.4
154.06483	0.4
155.06876	0.5
156.08089	0.5
157.08427	1.1
158.09656	1.1
159.10149	1.7
168.00563	0.7
168.08102	0.8
169.08543	1.9
171.11299	24.3
181.08609	0.6
189.12302	0.9
199.95027	0.4
201.05281	0.4
215.09018	1.2
239.17505	0.4
245.18706	0.6
286.04224	0.8
287.05026	4.7
302.07437	7.0
302.10831	0.8
302.19983	0.3
303.05035	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	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.2
56.05024	0.2
57.03426	0.3
60.04520	0.4
62.13177	0.2
67.05492	0.9
68.99783	0.6
69.07066	3.4
69.32191	0.7
69.32609	1.1
70.06597	1.2
72.08150	0.8
75.05607	6.6
79.05471	0.5
81.03432	0.5
81.07047	0.8
83.04991	0.5
84.04502	0.3
84.08131	0.7
84.11286	0.2
86.06075	0.4
86.09707	100.0
87.04459	0.3
87.10008	0.3
91.05464	0.6
93.07036	0.4
95.04965	0.5
95.08665	0.4
97.02879	0.3
97.06532	0.2
98.06064	0.7
98.09722	0.3
99.06369	0.3
100.07629	0.2
105.07036	0.5
106.05021	0.6
111.04483	0.2
119.08574	0.3
121.02844	0.3
121.06507	0.3
121.10117	0.3
129.07021	0.3
130.06511	0.4
130.07364	0.3
132.10205	13.6
133.10149	0.2
136.06180	0.6
137.02383	0.7
137.66718	0.2
143.11797	69.1
144.06516	0.5
144.12204	0.2
153.01813	0.9
154.06487	0.3
155.06845	0.4
156.08115	0.4
157.08456	1.1
158.09598	1.1
159.10086	1.3
165.01842	0.4
168.00529	0.4
168.08058	0.6
169.08449	1.4
171.11288	23.1
184.07385	0.2
187.03865	0.3
189.12413	1.4
201.05505	0.3
210.12155	0.3
214.08571	0.5
214.82509	0.2
215.08940	0.7
219.06616	0.3
229.04872	1.0
239.17137	0.3
245.18652	0.8
257.04398	0.5
274.04388	0.4
285.03897	0.4
286.04288	0.9
287.05072	4.7
302.04010	0.5
302.07339	5.6
302.10529	0.4
302.20245	0.4
303.04974	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	302.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	57.9
62.78595	4.6
70.06593	27.0
71.50442	8.3
72.69465	4.5
73.02932	5.4
73.28599	4.2
74.06088	6.4
84.04513	7.2
84.08135	10.4
84.96036	25.7
98.97582	45.6
99.01215	4.5
100.99123	4.3
101.00858	8.0
103.02431	4.8
110.97578	14.5
116.98624	18.9
117.97897	4.5
119.01920	14.2
128.98604	12.3
131.01917	5.1
141.08669	5.5
142.03499	8.9
143.00128	8.2
147.97060	6.1
148.42404	4.9
154.94226	5.7
155.00156	7.9
158.99792	5.4
160.04565	9.1
161.02927	5.5
169.03423	7.8
174.97723	6.4
175.11894	7.7
177.00908	17.1
179.00609	4.9
181.00438	12.7
181.96544	4.6
186.99246	5.7
187.02707	6.1
189.97121	9.8
189.98935	6.1
190.97224	7.8
192.98840	5.4
194.97452	5.2
195.96333	22.1
197.95979	20.1
198.97716	9.5
200.98199	6.4
201.00969	12.4
202.97270	5.7
203.98071	6.2
204.96834	22.3
205.00340	11.3
205.02133	7.9
205.10417	8.7
206.96481	13.4
207.02068	14.9
208.97812	6.7
208.99753	5.0
209.98856	6.9
211.97507	6.8
212.95804	5.4
213.97441	5.3
218.96565	8.0
219.02007	19.9
219.98193	12.8
221.05104	7.9
222.96848	4.7
223.04913	5.9
227.02473	13.2
227.96988	13.4
229.00633	5.7
230.96617	10.3
231.98305	10.0
232.98642	6.7
233.99742	15.7
237.99718	4.9
238.95584	25.5
239.06108	9.4
239.97185	28.7
241.05916	9.3
241.98602	7.9
243.00128	7.6
243.02139	7.1
244.96350	15.4
248.97867	6.3
252.98228	8.2
253.96938	22.0
254.01132	7.1
256.92996	9.8
256.96591	83.4
257.97534	6.1
258.48575	5.3
258.67038	4.7
258.96393	25.5
258.99841	8.5
259.46332	7.4
259.98972	5.6
261.03085	68.7
261.95490	7.5
267.96628	55.2
267.99838	10.0
268.46899	11.3
270.96219	13.4
274.94507	25.1
274.97287	27.5
276.97064	15.9
278.47330	5.4
279.51416	6.3
279.96649	40.4
279.98346	39.0
280.46838	12.9
280.98273	11.0
281.98535	8.4
282.99762	5.1
285.03021	5.2
288.97174	100.0
289.47241	26.5
289.96957	7.3
291.01334	7.6
291.97318	7.2
292.00311	25.2
292.95157	7.9
295.97742	5.5
297.97873	21.9
299.99271	15.5
300.48410	5.9
303.01288	41.5
303.04385	23.9
303.17706	27.3
303.50940	5.2
308.99942	5.1
320.94583	5.3
321.01666	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98965	0.4
55.05505	0.5
61.30129	0.4
69.03437	0.6
69.07063	1.1
69.88087	1.7
70.06603	0.7
75.05579	1.1
81.03432	0.7
81.07064	0.9
84.08128	0.6
86.09709	100.0
91.05477	2.0
93.07057	0.7
95.04995	0.5
95.08608	0.6
105.07051	0.5
107.08581	0.8
117.06947	0.5
119.08572	0.7
121.10118	0.8
123.08065	0.5
127.24932	0.5
129.10239	0.5
132.10204	13.3
137.02332	1.8
139.03802	0.5
143.08643	1.1
143.11801	75.2
151.07500	0.6
153.01833	1.9
153.07072	0.6
161.05910	0.5
165.01811	0.9
171.08163	1.2
171.11295	25.3
173.06049	0.8
174.96892	0.7
181.06491	0.6
187.97427	0.4
199.07521	0.9
201.05505	1.2
229.04955	2.0
245.18715	0.8
257.04343	1.2
258.17307	0.4
274.07547	0.6
285.03668	0.6
286.04459	1.1
287.05057	5.1
302.07413	5.4
302.17096	0.9
303.04999	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05517	5.2
56.05027	0.9
60.04533	0.8
67.05529	1.2
69.03422	0.9
69.07062	1.1
69.57021	1.0
69.57430	2.3
70.06592	4.3
72.08157	100.0
73.08485	0.6
74.06092	0.6
79.05491	0.6
81.03429	1.5
81.07049	0.9
84.04510	1.0
84.08152	5.5
85.02925	1.0
86.06110	0.5
86.09708	71.0
86.99040	0.5
88.03980	2.3
91.05486	2.2
93.07061	1.0
95.04984	1.5
98.97622	0.8
100.07600	1.0
105.07026	0.9
107.04963	1.1
107.08607	0.6
111.08051	0.7
112.07592	0.7
115.08655	0.5
117.07013	1.7
118.08632	3.1
119.04975	1.0
119.08551	0.9
120.08131	1.0
121.06499	1.2
124.07556	0.6
127.08630	0.8
129.10236	1.6
130.04997	0.7
132.10196	6.9
135.08047	0.6
137.05954	1.4
138.09177	0.6
142.27222	0.6
143.11800	67.6
144.10202	1.8
147.04404	4.3
157.13368	30.4
161.12830	1.1
163.07556	1.9
168.00526	0.7
171.11290	39.1
177.03668	1.2
185.12859	18.1
185.16440	0.8
187.01765	0.5
187.10832	3.0
189.12312	0.8
193.12187	1.5
201.12314	1.2
203.13907	0.9
210.14818	0.6
212.07083	0.8
221.07584	1.2
221.56543	0.6
230.08051	0.6
231.17073	4.4
258.08072	0.6
267.15903	1.1
285.16940	0.9
286.04303	1.8
287.05048	8.5
302.07413	9.1
302.10434	1.0
302.16238	0.9
302.19766	2.3
303.04947	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01859	1.8
55.05505	1.2
56.05027	2.1
57.03437	2.9
60.04519	1.5
61.02925	2.7
65.03938	2.4
67.05506	28.2
68.05023	0.7
69.03429	15.4
69.07070	12.8
69.84061	3.8
70.06597	12.7
71.04980	1.6
71.06933	0.9
72.08159	9.1
72.63280	0.8
73.02919	1.9
73.43156	0.7
74.06093	1.0
79.05502	1.8
81.03432	4.7
81.07058	2.2
84.04485	5.4
84.08145	20.3
85.02906	38.5
85.08486	0.9
86.06063	1.1
86.09709	15.5
87.04472	1.3
87.05592	1.0
88.04003	1.5
91.05462	1.2
93.07036	1.3
94.06557	1.6
95.04971	42.8
95.08591	0.8
96.04529	1.0
96.08128	1.4
97.02892	32.2
97.06547	1.7
98.20821	1.1
98.97608	0.9
99.04460	1.3
102.05548	1.6
103.03916	3.6
103.05500	0.7
107.08566	1.2
109.02869	6.2
112.07603	31.5
112.08720	1.3
113.06006	2.8
113.07993	0.9
114.05557	0.9
114.09201	0.7
116.07084	1.4
119.08607	1.0
121.06509	0.9
122.06060	4.6
123.04422	1.2
124.07595	2.8
126.05585	1.0
127.03902	7.9
128.10719	1.6
129.10233	10.8
129.11113	0.8
130.05020	2.1
130.08676	2.5
132.08424	2.2
134.06038	1.1
135.08038	1.4
136.07565	4.3
137.05991	2.1
139.08662	0.9
140.07069	100.0
142.08623	1.0
145.04964	4.9
147.11328	2.1
150.09123	1.6
152.07059	2.9
154.08641	5.9
163.07405	0.8
164.07043	1.1
168.00580	1.0
169.00914	1.1
170.08226	1.1
178.08632	3.6
181.08507	1.1
182.08134	57.2
187.10768	0.8
196.65982	1.0
206.08107	12.7
218.08093	1.9
235.16432	1.1
236.09117	1.8
248.09203	8.1
266.10242	0.9
284.11404	0.8
286.04327	4.5
287.05090	19.7
302.07385	25.7
302.12756	3.7
302.20895	1.9
303.13965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1388
Annotation	(-)-N-Methylhigenamine N-oxide
Peak:m/z	Relative Intensity
53.03937	0.5
55.01867	2.0
55.05505	1.7
56.05029	1.0
57.03426	0.7
58.99596	0.8
60.04517	1.9
60.05634	0.4
65.03932	1.3
67.05502	1.9
69.03436	2.3
69.07064	1.9
70.02946	0.6
70.06595	5.7
71.05001	0.6
71.52170	0.5
72.08159	26.5
74.02457	0.6
74.06072	1.9
79.05486	4.1
81.03405	1.2
81.07048	1.9
82.06577	0.8
84.04494	1.7
84.08134	4.7
85.01105	0.4
85.02914	0.8
86.06090	0.5
86.09710	22.1
86.99046	0.4
87.05614	0.7
88.03985	2.7
91.05485	13.6
93.03398	0.7
93.07053	4.8
94.06568	1.1
95.01310	0.6
95.04965	4.1
95.08562	0.5
96.08128	0.5
97.01138	0.6
97.06562	2.0
98.06029	0.9
98.97575	0.6
103.05467	3.4
105.07036	4.4
107.04964	13.4
107.08600	0.8
108.04514	0.4
108.08131	1.5
109.06532	3.0
110.06057	0.5
110.07159	0.6
111.02711	0.4
112.08749	1.0
115.05468	1.0
116.07117	0.7
117.07022	2.1
119.04950	25.6
119.08587	1.1
120.08118	1.9
121.02872	11.5
121.06514	17.7
122.02753	0.8
122.06085	2.2
122.06852	0.7
123.02644	1.4
123.04440	0.7
124.07568	2.3
125.00553	0.5
125.06012	0.9
129.07028	0.5
129.10265	2.2
130.06544	0.7
130.08662	0.4
131.04935	3.2
132.10202	2.7
133.06502	6.4
134.04468	0.7
134.06062	0.8
134.09723	0.5
135.08073	0.8
136.07582	2.7
137.05983	5.8
138.09138	1.0
143.04916	0.7
143.11803	16.9
144.05629	0.6
144.08098	0.7
145.06535	1.5
147.04416	100.0
148.07570	1.6
149.04167	0.7
149.05969	6.9
149.08350	2.9
149.09438	0.6
150.05487	0.8
150.09166	2.4
151.02177	1.0
152.07179	0.7
153.03693	1.4
154.08620	5.3
156.10281	0.6
157.06479	0.9
157.13434	3.1
160.07645	0.5
161.05972	0.8
162.01268	0.5
162.09164	1.4
163.07541	4.4
163.11154	0.5
164.07117	2.2
164.10767	0.8
165.06929	0.6
168.00542	0.8
169.03123	0.4
171.08086	0.4
171.11305	9.7
172.07614	0.5
173.12886	3.3
175.11920	0.9
177.00700	0.5
177.03664	0.9
178.08661	1.2
179.08638	0.5
181.08589	2.1
181.10092	0.5
183.08046	0.7
185.12901	1.8
187.14420	0.8
189.12401	0.9
193.10278	0.5
193.12225	1.0
194.07353	0.5
195.08023	1.1
196.13361	0.6
197.02689	0.5
197.06384	1.2
197.09666	1.1
199.18059	1.0
201.12363	1.1
207.08057	0.6
209.09660	1.9
210.15033	0.7
211.07417	0.4
212.07127	0.7
220.35309	0.4
221.07613	0.8
221.09683	0.9
223.11096	0.4
227.10754	3.1
227.17502	0.6
228.10162	0.5
231.17209	0.6
237.09079	0.9
238.12306	0.6
239.10692	1.9
240.10413	0.9
242.11726	0.5
255.10219	0.9
255.12593	1.5
256.13428	2.8
258.07965	1.7
266.11777	3.6
267.10123	1.1
267.15942	1.0
273.11292	0.6
284.09711	0.8
284.12802	22.0
285.10910	0.5
285.17212	0.8
286.04498	1.8
287.05078	7.6
288.20367	1.8
290.15033	0.5
302.07388	10.0
302.10577	2.6
302.13904	21.6
302.19611	1.2
303.05020	3.1
303.10516	0.5
303.14279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70712	0.5
55.01863	1.3
55.05519	4.4
57.03424	1.2
65.03938	0.7
67.05511	15.6
68.99792	1.1
69.03440	0.7
69.07073	6.6
69.44576	1.7
69.45002	2.1
71.04984	0.8
79.05492	3.8
81.07060	8.3
83.04974	0.5
83.08601	1.1
85.02879	1.1
85.06536	1.0
87.04526	0.5
91.05487	5.2
93.06552	0.6
93.07053	6.5
95.04965	5.7
95.08617	5.6
97.06512	1.5
97.10166	1.3
98.20789	1.2
105.07040	4.4
107.08600	12.0
108.67330	0.5
109.06508	4.3
109.10168	23.6
113.09679	0.9
117.07001	1.3
118.04185	2.4
119.04906	0.6
119.08595	18.5
121.06493	1.7
121.10149	3.4
122.07305	0.8
123.08068	6.3
123.11684	1.2
128.06218	0.7
131.08562	1.9
133.06491	0.7
133.10132	3.7
135.08080	6.3
135.11681	1.5
137.09633	19.1
140.01022	1.8
143.08530	1.1
145.10126	2.2
147.11604	0.6
149.09624	1.5
153.01736	0.6
156.05583	0.6
156.09294	0.7
157.10109	1.8
159.04549	0.6
159.11688	1.5
161.09624	2.9
161.13222	1.8
163.11203	1.8
163.14928	0.6
164.01123	0.6
165.12755	2.1
168.00554	9.7
168.01956	0.4
169.01291	1.2
171.11719	1.3
175.14793	1.1
181.12270	0.8
182.10994	0.5
185.13292	0.9
186.01601	5.4
187.14757	0.8
189.12727	0.5
191.14317	23.5
197.13194	1.0
199.14815	0.7
205.15907	2.3
210.33894	0.5
212.04663	1.6
217.15904	1.4
221.15327	1.8
227.14381	0.6
229.04979	1.0
240.04178	2.5
241.05008	1.1
255.06581	1.3
257.04581	0.7
258.05334	3.8
265.19537	1.1
268.03760	1.1
283.20535	3.0
285.03946	13.6
286.04739	81.7
287.05121	1.3
301.07086	100.0
301.16595	3.3
301.21637	31.1
302.07462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01853	1.3
55.05499	5.9
56.05026	1.4
57.03438	6.6
61.02935	6.3
67.05515	9.7
69.03431	11.7
69.07048	2.4
69.82693	4.8
69.83095	3.3
70.06580	5.1
71.04966	2.0
72.07760	2.4
72.08157	47.3
73.02910	3.4
79.05491	5.3
81.03419	7.4
81.07077	7.4
83.08581	1.4
84.04529	1.6
84.08138	8.6
85.02908	95.2
86.02469	1.6
86.09711	38.2
87.04435	1.6
88.04005	1.8
91.05471	2.9
93.07019	1.5
94.06593	2.7
95.04971	9.1
96.04486	1.7
97.02897	43.6
97.06543	2.2
98.09644	1.4
98.21475	1.8
99.04438	3.8
103.03961	7.4
108.08125	14.9
109.02876	14.4
109.06534	1.8
110.06064	2.1
112.07605	1.7
113.15834	1.4
115.03962	1.5
118.08659	2.2
122.06046	8.5
122.06777	1.5
122.09612	1.6
125.05997	7.1
126.05530	6.6
126.09135	4.3
127.03927	17.3
129.10246	6.3
130.10587	1.4
132.10219	2.2
136.06633	2.4
136.07584	20.6
140.07071	51.9
143.11795	24.5
145.04968	17.1
150.09143	6.9
152.07056	18.0
154.08620	5.5
157.13348	18.1
163.05988	2.3
163.07539	3.8
164.07077	22.4
171.11292	14.8
177.03639	1.5
178.08640	15.9
182.08136	100.0
185.12802	12.2
203.13925	1.6
206.08136	48.7
218.08142	4.2
229.04482	1.3
231.17073	2.2
236.09053	4.6
248.06775	2.0
248.09122	11.3
286.04288	1.6
287.05084	8.1
302.07422	9.9
303.05011	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
54.33679	2.5
55.05506	10.0
57.07073	6.1
64.97139	2.4
67.05511	20.0
69.03421	3.6
69.07059	10.3
69.20413	24.0
71.04994	8.4
79.05504	13.0
81.07059	27.7
83.04951	3.4
83.08650	2.6
85.57265	2.4
91.05483	52.2
93.07059	28.7
95.04976	15.7
95.05481	3.2
95.08627	21.5
97.06528	10.4
105.07037	50.3
107.08609	43.2
109.06526	32.8
109.10164	25.6
111.08061	3.2
115.10741	2.3
115.17421	2.6
117.07027	15.6
119.08594	49.3
121.06500	8.2
121.10155	24.2
122.63280	2.3
123.08076	4.4
123.11703	3.7
128.06207	3.5
129.06996	7.2
130.07797	4.1
130.98962	2.8
131.08580	49.8
133.10132	34.8
135.08072	25.6
135.11682	4.3
141.06992	4.6
142.07817	7.5
143.08585	18.5
144.09380	5.3
145.10136	51.0
146.07278	7.2
147.08031	3.0
147.11646	12.9
149.13255	6.9
150.21024	2.5
153.09094	3.0
156.09409	3.6
157.10129	17.4
158.10905	12.0
159.08104	6.0
159.11700	12.9
161.08316	5.0
161.09628	65.8
161.13281	5.2
163.11182	7.7
168.00562	11.2
171.11705	10.2
173.13274	99.1
175.14841	9.5
179.08598	4.5
183.11728	4.9
185.13278	7.5
187.14874	3.9
189.12776	3.2
191.14366	22.6
193.10153	2.5
195.11755	3.2
197.13342	4.2
199.14896	5.9
201.12723	4.8
201.16376	3.0
209.13266	11.6
213.16457	5.5
223.14940	4.3
225.16267	4.7
227.14308	7.9
238.59038	2.3
258.05377	3.7
265.19528	9.4
283.20599	8.9
285.04004	12.6
286.04761	86.7
301.07092	100.0
301.21704	16.4
302.30545	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05511	4.3
57.03429	0.7
57.07087	4.2
65.03934	0.8
67.05509	7.6
68.99795	1.3
69.03416	2.5
69.07071	4.7
69.87980	3.7
70.06578	2.9
71.04993	2.3
71.08604	0.7
74.50266	0.6
74.52597	0.7
78.63915	0.6
79.05483	7.1
81.07064	9.2
83.04963	1.8
83.08588	1.7
85.02927	0.8
85.06551	1.2
88.07633	2.9
91.04963	1.1
91.05481	9.2
93.07047	9.9
95.04981	5.8
95.08611	9.1
97.06535	3.1
102.09167	1.1
103.05455	1.3
105.07037	19.1
106.08661	1.9
107.04932	1.5
107.08608	15.6
109.06525	13.9
109.10170	10.3
111.08055	1.8
115.05447	1.4
116.06322	0.8
117.07024	7.3
118.04182	2.5
119.04882	1.0
119.06039	0.7
119.08588	21.2
121.06493	3.1
121.10153	10.0
123.08066	2.4
123.11714	2.1
125.09621	0.8
128.06212	1.8
129.07005	2.6
130.07776	2.0
131.08575	19.3
133.10141	14.0
135.08060	11.4
135.11676	3.9
137.09584	1.1
139.11211	1.1
140.01036	1.6
142.07806	1.7
143.08575	7.9
144.09340	2.3
145.06503	0.7
145.10135	19.8
146.07265	2.1
147.08037	1.1
147.11694	5.9
149.09561	1.7
149.13261	2.9
155.08598	1.6
156.09358	1.9
157.10143	4.7
158.10904	5.0
159.08072	2.0
159.11720	4.9
160.12494	1.0
161.09627	24.6
161.13234	2.1
163.11180	1.0
163.14711	0.8
167.08572	1.3
168.00557	10.4
169.10103	2.0
171.11743	5.2
173.09665	1.0
173.13278	38.1
175.11237	1.2
175.14832	3.7
179.08559	1.6
181.10104	1.0
183.11702	2.6
184.05220	1.4
185.09715	0.9
185.13268	3.9
186.01590	4.0
187.14825	1.5
191.14325	12.2
194.10799	1.3
195.11685	1.6
197.13316	1.4
199.14865	3.5
201.12782	1.6
201.16431	1.1
209.13269	4.9
210.13950	0.7
212.04716	1.4
213.16431	1.3
217.15971	0.9
223.14801	2.1
225.16365	1.8
227.14319	1.9
240.04221	1.7
241.04872	1.7
255.21036	1.0
257.04523	1.0
258.05203	4.2
265.19531	3.6
268.03665	1.0
283.20551	3.1
283.23785	1.0
284.29504	1.5
285.03958	13.6
286.04733	82.1
287.05151	1.6
301.07083	100.0
301.21625	6.0
302.07352	2.1
302.30542	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47708	0.9
53.03931	2.4
54.64865	0.8
55.01671	0.8
55.01871	8.5
55.05512	9.2
56.96559	1.2
57.03436	15.8
57.07059	1.3
58.82293	0.8
59.05000	0.9
65.03933	2.0
67.05508	24.1
69.03440	5.1
69.07064	10.3
70.06587	4.2
71.05007	5.2
71.52680	1.2
72.08137	3.1
73.02895	0.9
77.03901	1.3
77.56435	0.8
79.05497	22.6
81.03411	4.4
81.06594	1.7
81.07059	26.7
83.04990	10.4
83.08622	3.0
84.08130	3.7
85.02920	2.3
85.06528	3.3
86.09689	3.2
89.40078	1.0
91.05482	17.2
93.03432	1.0
93.07043	36.4
95.04967	6.2
95.06111	0.8
95.08607	13.0
97.02885	2.4
97.06529	12.7
98.97569	2.8
99.04440	4.1
101.02381	1.1
103.05457	1.2
105.07049	10.2
107.04299	1.4
107.04961	13.9
107.08592	19.2
109.06525	5.8
109.10150	5.8
110.01897	0.9
111.04436	13.0
111.08084	7.5
113.05997	1.0
116.98650	2.2
117.07001	5.8
118.04185	2.5
119.04914	1.9
119.08572	9.0
120.08102	1.0
121.06496	6.8
121.10145	27.1
123.08042	5.1
123.11648	1.0
125.05957	2.5
125.09647	2.4
129.07022	1.9
130.06509	1.4
130.08623	1.2
131.04861	1.5
131.08578	6.9
133.10097	3.3
135.08084	4.3
135.11697	15.0
137.09613	1.6
139.07555	1.0
139.11168	3.9
143.07048	2.5
143.08495	1.0
144.95827	1.0
145.06497	2.4
145.10132	20.3
147.08028	2.1
147.11696	2.1
149.09622	6.6
151.07542	2.4
153.07030	1.4
153.09262	1.2
153.12737	3.5
155.08528	3.1
158.07347	1.1
158.99689	1.6
163.11182	29.3
163.12564	1.6
167.10724	7.2
168.00551	10.2
169.01300	1.5
169.08624	18.3
173.09633	11.7
181.06419	2.4
181.12268	12.3
184.05234	1.7
185.11790	1.1
186.01579	4.3
189.09053	1.1
191.10666	20.6
203.16237	1.4
209.11765	17.5
219.01788	2.0
227.12866	9.0
229.05092	1.1
240.04208	1.4
240.09045	1.1
241.05034	1.7
241.08965	1.0
255.11357	5.0
255.17567	1.3
257.04507	1.6
258.05298	3.6
265.14380	2.4
268.03839	1.1
273.03751	1.3
275.05768	3.6
283.06247	3.4
283.10696	2.3
283.15375	10.1
285.03922	13.9
286.04727	88.0
291.29175	1.4
298.65714	1.1
301.07089	100.0
301.11008	7.1
301.16428	51.6
301.21927	1.9
301.24966	2.5
302.07404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.01879	0.2
55.05504	0.2
55.70081	0.1
56.88576	0.1
57.03436	0.1
65.03937	0.3
67.05497	0.3
68.99786	0.2
69.03429	0.1
69.07043	0.1
70.31435	0.2
72.08131	0.2
73.68673	0.1
79.05481	0.6
81.03381	0.2
81.07061	0.6
83.08611	0.2
86.09688	0.3
90.56152	0.1
91.05460	0.2
93.07041	0.6
95.04985	0.7
95.08594	0.5
97.06551	0.1
98.21491	0.1
105.03375	0.5
105.07043	0.3
107.04963	3.7
107.08581	0.5
108.05691	0.1
109.10155	0.2
111.04460	0.4
117.07030	0.1
118.04148	0.4
119.04907	0.2
119.08585	0.3
121.02869	3.6
121.06466	0.1
121.10136	0.4
123.00787	0.5
123.04481	0.7
124.01569	1.6
125.02332	0.4
125.05958	0.2
127.71826	0.1
128.06200	0.2
129.03365	0.1
131.08537	0.2
133.02843	0.4
133.10139	0.2
134.03618	0.5
135.08075	0.2
135.11722	0.8
137.02425	0.1
140.01015	0.2
141.05458	0.4
145.06525	0.1
145.10114	0.8
145.54735	0.1
147.04419	0.4
151.03925	1.2
153.06918	0.2
157.06551	0.1
163.11154	1.2
165.06992	0.1
167.03413	4.9
168.00523	0.7
168.05682	0.2
171.04457	0.2
179.03419	1.5
181.12238	0.4
184.05223	0.5
189.09155	0.1
197.04401	0.6
199.07550	0.4
204.93704	0.1
212.04701	1.5
213.05336	0.2
217.08632	0.1
227.07031	1.5
227.12775	2.0
230.05736	0.2
240.04016	0.5
241.04927	0.3
245.08125	0.8
255.06566	0.6
257.04514	1.3
257.08167	0.1
258.05252	11.6
259.05750	0.1
272.06873	1.0
273.07629	0.4
283.15359	0.9
285.03903	0.8
286.04721	11.0
287.05093	0.2
301.07062	100.0
302.07413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
52.46740	0.1
53.03927	0.1
53.84848	0.1
55.05502	0.2
57.07079	0.1
61.12999	0.1
64.17188	0.1
65.03922	0.1
67.01860	0.2
67.05486	0.3
68.99796	0.1
69.03407	0.1
69.07042	0.2
70.96285	0.2
78.32588	0.1
79.01856	0.1
79.05500	0.3
80.02620	0.1
81.03371	0.1
81.07065	0.4
83.04980	0.1
83.08607	0.1
85.06502	0.1
91.05468	0.3
93.07042	0.4
95.04964	0.6
95.08579	0.2
95.48285	0.1
97.02910	0.1
97.06527	0.1
99.04457	0.1
103.05445	0.1
105.03391	0.4
105.07007	0.2
105.26439	0.1
106.04150	0.1
107.04959	3.3
107.08580	0.2
108.05756	0.1
109.10130	0.2
111.04447	0.3
117.07032	0.1
118.04153	0.3
119.04958	0.2
119.08588	0.2
120.22320	0.1
121.02870	4.1
121.10117	0.2
123.00772	0.4
123.04439	0.6
124.01582	1.3
125.02364	0.5
128.06221	0.1
129.03346	0.1
129.06944	0.2
131.00270	0.1
131.08569	0.2
133.02878	0.4
133.10118	0.3
134.03664	0.4
135.04405	0.2
135.11665	0.2
137.02435	0.1
139.05411	0.1
140.01030	0.1
141.05426	0.3
143.08533	0.1
145.02805	0.1
145.06468	0.1
145.10052	0.2
147.04443	0.4
147.08084	0.1
147.11627	0.1
149.13264	0.1
151.03891	1.2
156.05757	0.1
157.06456	0.2
157.10098	0.1
159.11699	0.1
163.11151	0.1
165.06972	0.1
167.03410	4.5
168.00507	0.5
168.05721	0.2
169.01276	0.1
171.08015	0.1
173.13348	0.1
175.03947	0.1
179.03406	1.4
181.06445	0.1
184.05176	0.6
185.05927	0.2
186.01486	0.2
195.04359	0.1
196.05180	0.1
197.04459	0.6
197.06006	0.1
199.07607	0.4
201.05394	0.1
202.06273	0.2
203.03426	0.1
209.11726	0.1
211.07486	0.1
212.04683	1.5
213.05380	0.2
217.08652	0.2
220.10284	0.1
227.07065	1.3
229.04903	0.2
230.05695	0.1
240.04138	0.4
241.04945	0.3
244.09709	0.1
245.08141	0.7
255.06497	0.6
257.04507	1.3
257.07315	0.1
258.05246	10.7
268.03604	0.1
269.04214	0.1
272.06830	0.8
273.07639	0.4
283.06030	0.2
285.03848	0.6
286.04721	10.6
287.05206	0.1
301.07065	100.0
302.07370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03950	0.1
55.05502	0.2
60.91080	0.1
67.01859	0.1
67.05502	0.2
68.99785	0.2
69.03400	0.1
79.05486	0.3
82.06575	0.1
91.05463	0.1
93.13257	0.1
95.04967	0.7
95.08591	0.1
100.11240	0.2
105.03367	0.4
107.04958	3.7
111.04439	0.4
118.04162	0.5
119.04930	0.1
121.02869	3.9
121.03831	0.2
123.00802	0.3
123.04438	0.7
124.01565	1.5
125.02376	0.6
129.03337	0.1
133.02890	0.6
134.03656	0.6
135.04445	0.2
139.03830	0.1
141.05455	0.3
147.04427	0.4
151.03893	1.0
157.06491	0.2
167.03407	5.0
168.00520	0.2
168.05705	0.2
169.06479	0.1
171.04402	0.2
171.08066	0.1
179.03403	1.7
182.15419	0.1
184.05183	0.5
185.04446	0.1
185.05919	0.2
195.04430	0.2
197.04391	0.7
197.06041	0.1
199.07610	0.5
203.03317	0.1
205.16713	0.1
211.07600	0.2
212.04668	1.2
213.05376	0.1
217.08698	0.2
217.49313	0.1
219.16382	0.4
227.07054	1.3
229.04991	0.1
230.05896	0.2
238.25827	0.1
240.04163	0.4
241.05069	0.6
242.05762	0.1
245.08087	0.7
254.53516	0.1
255.06566	0.7
257.04495	1.3
257.07379	0.1
257.07797	0.1
258.05258	11.0
259.10715	0.2
272.06830	0.9
273.07581	0.5
282.69553	0.2
283.06018	0.2
285.03976	0.4
286.04739	8.1
287.05197	0.2
301.07068	100.0
302.07394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.1
57.88246	0.1
60.26022	0.1
65.03939	0.2
67.01859	0.2
67.05517	0.1
68.99782	0.1
70.55865	0.2
74.07099	0.1
79.05490	0.2
81.07059	0.1
95.04982	0.4
100.87266	0.1
105.03391	0.4
107.04957	3.4
111.04444	0.2
114.21674	0.1
118.04173	0.2
119.35486	0.1
121.02872	3.5
123.00813	0.4
123.04438	0.5
124.01568	1.6
125.02366	0.5
133.02831	0.4
134.03665	0.5
135.04410	0.3
141.05481	0.3
141.06973	0.1
145.02747	0.1
147.04442	0.4
151.03899	1.3
156.05840	0.1
157.06528	0.1
160.29251	0.1
164.04492	0.1
167.03410	4.7
168.00563	0.3
168.05699	0.3
171.04413	0.1
171.08014	0.1
175.07518	0.1
179.03410	1.6
180.03932	0.1
184.05212	0.5
185.06026	0.2
188.08006	0.1
197.04449	0.7
199.07521	0.5
202.06248	0.2
211.07433	0.1
212.04680	1.6
213.05415	0.2
213.66693	0.1
217.08574	0.2
227.07034	1.4
227.09152	0.1
229.04965	0.3
230.05751	0.2
240.04196	0.2
241.04820	0.4
245.08133	0.7
255.06532	0.8
255.11101	0.1
257.04492	1.2
257.07895	0.1
258.05249	10.4
259.05856	0.1
268.03558	0.1
272.06827	1.0
273.07596	0.4
283.05988	0.1
285.03912	0.3
286.04712	7.5
287.04904	0.1
301.07065	100.0
302.07434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48502	0.4
56.96569	5.8
69.55847	0.5
69.56370	1.3
69.56783	1.7
71.95268	1.9
78.50455	0.5
98.97590	100.0
99.97935	3.9
101.00905	0.6
103.00620	0.5
111.08669	0.6
116.98630	35.7
117.98999	1.5
134.99675	6.9
135.99991	0.5
144.50215	0.4
155.07063	0.9
168.00595	0.8
177.00963	1.1
182.87009	0.4
191.05904	0.6
216.98953	1.4
219.02016	3.4
234.96394	0.6
234.99911	0.9
236.00130	0.5
240.98672	3.6
241.98802	2.1
258.96750	1.4
258.99774	37.6
259.10431	0.7
259.99936	24.7
260.99927	0.8
261.02972	1.1
276.97739	1.6
277.00815	37.4
277.97900	1.0
278.00992	26.1
278.96790	0.6
279.00848	0.7
282.99942	7.4
285.03940	0.9
286.04724	6.3
295.95932	1.1
300.02521	1.0
300.97668	2.8
301.01147	8.7
301.06735	8.0
301.10141	3.4
301.20227	0.5
307.84927	0.5
318.98596	4.3
319.01843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34534	0.3
67.05511	0.5
68.04981	0.3
69.86458	1.7
70.06597	100.0
72.08172	0.9
81.03401	0.3
81.07053	0.4
83.06111	0.7
84.04506	1.4
84.08144	1.4
86.09702	2.6
88.37117	0.3
89.06018	0.8
90.58429	0.3
95.06127	0.6
95.08607	0.5
98.06062	0.4
98.67738	0.4
98.97492	0.3
107.03313	0.5
107.04952	0.4
110.07187	0.6
112.07612	94.1
113.07925	0.4
116.07108	3.2
119.04972	0.4
136.06218	1.0
138.05537	0.6
138.09116	1.9
140.07074	62.1
143.08160	1.5
144.06578	1.0
147.04414	0.6
153.05478	0.6
157.09737	5.3
157.13391	0.6
161.09198	1.9
162.05467	0.6
163.03894	0.5
166.08650	2.0
168.00539	0.5
185.12822	0.4
225.08995	0.3
240.13486	1.9
268.12869	2.4
282.08334	0.4
282.11270	0.7
283.12845	1.0
285.03961	0.5
286.04791	4.4
300.09604	0.3
300.15491	4.8
300.18536	0.4
301.07086	5.4
301.12476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05515	0.6
56.05030	0.8
56.96569	0.5
57.03440	0.5
60.04526	1.0
67.05493	0.8
69.03438	1.3
69.07083	1.2
69.90318	1.1
69.90710	0.9
70.06596	44.1
72.08155	4.2
74.87207	0.5
79.05507	0.6
80.05042	0.4
83.04970	0.8
84.04510	1.7
84.08150	3.6
85.02906	2.2
86.09711	60.3
88.03978	0.6
89.06052	2.3
91.05486	0.9
93.07042	0.8
95.08592	0.8
96.04465	0.5
97.02852	0.7
98.21446	0.5
102.05511	1.0
105.07059	1.5
107.04955	1.1
110.06052	1.1
110.07172	1.8
115.05473	0.4
115.08656	0.5
116.07098	100.0
119.04945	1.3
120.04476	4.6
120.08191	0.5
121.02914	0.8
121.06544	1.1
122.02769	0.9
123.04417	0.7
124.03992	0.6
124.07581	0.7
129.10248	1.4
130.06552	0.5
131.04895	1.0
132.04457	0.8
133.06485	0.5
133.08617	1.4
133.10126	0.5
134.06030	0.6
136.06226	0.7
137.05949	0.7
138.05510	3.3
138.06378	0.5
138.09125	1.4
141.10252	0.6
143.08507	0.6
145.04961	0.6
147.04428	3.0
151.06226	0.8
156.07686	0.5
157.13370	28.3
161.05896	0.6
161.09615	3.4
166.08629	1.6
167.08511	0.7
168.00571	0.6
169.09851	0.5
179.01733	0.7
179.07069	0.9
180.06531	0.8
185.12872	12.5
188.07201	0.4
197.09637	0.5
198.05466	0.9
225.09090	1.6
237.09094	1.4
241.08626	0.9
254.11691	2.1
264.08475	0.5
264.40100	0.4
265.08435	0.5
282.11340	2.5
283.17505	1.2
285.03925	1.7
285.07172	0.6
286.04745	5.2
300.12497	1.7
300.18820	0.8
301.07104	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	300.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
53.51460	0.3
54.90373	0.4
55.01875	1.1
55.05513	0.8
56.05043	0.6
56.96566	4.9
57.03440	2.8
58.99601	0.6
59.05002	6.0
60.04533	0.8
61.02929	4.0
67.05513	0.9
69.03084	0.7
69.03432	7.6
69.07063	1.3
70.06596	12.7
70.95893	0.6
70.98126	1.4
71.04987	1.0
71.51189	0.6
72.08157	1.5
72.93790	0.7
73.02924	1.5
81.03427	3.7
81.07048	0.7
83.04977	0.4
83.06118	0.9
84.04512	1.9
84.08139	3.3
84.96045	0.7
85.02911	20.1
86.06091	0.6
86.09224	0.7
86.09713	9.1
87.04472	1.5
88.02223	1.8
88.04009	1.0
88.11210	0.5
89.06033	2.0
90.94836	0.4
91.03969	1.2
91.05462	2.3
93.07047	3.8
95.05002	0.9
95.06107	1.5
97.02895	7.0
97.06526	0.7
98.06069	0.7
98.09715	0.5
98.97585	5.3
99.04461	1.3
103.05475	2.3
103.07584	1.9
109.02878	2.3
110.06025	0.5
110.07150	1.3
110.97575	1.4
112.07598	1.2
112.99174	0.4
113.96415	0.6
116.07083	3.3
116.50101	0.4
116.98626	2.0
119.01876	0.6
119.04946	0.5
120.08112	1.4
121.06512	100.0
121.08582	11.5
122.06059	0.7
124.07638	0.4
124.08707	0.8
127.03933	4.1
128.98616	1.5
129.06726	0.4
129.10229	0.6
130.08591	0.6
131.00154	0.6
133.06303	0.4
134.02730	1.1
135.04388	0.7
136.06200	2.6
138.05527	12.3
138.09145	76.6
140.07048	1.0
140.98611	1.9
141.06534	0.5
143.00198	0.4
145.04950	3.0
145.06046	0.5
146.99619	1.2
147.04399	1.1
155.04652	1.7
156.98135	0.5
157.09731	2.9
157.13371	0.9
158.99677	5.1
159.07610	0.7
161.01245	0.6
163.03918	0.9
168.00520	0.6
174.05482	0.9
177.00703	5.0
179.01633	0.5
180.10188	0.6
183.05904	1.0
185.09219	3.2
187.07022	0.5
189.00705	0.6
191.02396	0.5
193.03207	0.8
195.01848	1.1
196.05637	0.5
197.12837	1.6
200.98294	0.5
203.06151	0.5
213.12321	1.0
217.00218	4.1
218.99713	0.6
219.01784	1.0
224.00023	0.6
227.99113	0.5
234.99060	0.6
235.01260	5.7
237.02763	1.2
238.01628	0.6
249.00565	0.6
254.00964	1.5
259.01245	1.0
264.12244	0.6
272.02188	0.9
277.02258	1.3
282.13168	2.6
285.03790	1.2
286.04724	5.2
300.01923	1.6
300.09573	0.9
300.10880	0.5
300.14450	9.6
300.19037	2.4
301.07135	6.1
308.44739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
50.22636	0.7
52.18520	0.6
53.03947	1.0
55.05519	3.1
55.05725	0.6
57.03429	0.6
57.82170	0.5
67.05511	4.5
69.03423	1.3
69.07064	2.5
70.63763	1.3
73.74635	0.5
79.05502	6.0
81.07064	4.3
83.04990	1.7
83.08615	2.5
85.06563	0.8
90.95426	0.5
91.05490	23.7
93.07053	8.5
95.04967	2.1
95.08627	5.9
97.06506	1.1
103.05464	0.7
105.07039	14.6
107.08601	7.7
109.06520	2.3
109.10164	1.5
115.05465	2.1
116.06227	6.2
117.07013	1.6
119.04948	5.3
119.08591	13.4
121.10151	6.6
123.08061	2.4
125.09634	2.2
126.87735	0.6
128.06244	0.8
129.07019	7.7
131.08575	36.3
133.06488	0.9
133.10133	3.7
135.08061	2.3
135.11729	0.6
142.07820	1.5
143.08612	3.6
145.06474	0.8
145.10100	3.5
147.08015	1.3
147.11642	2.9
148.34961	0.5
149.09641	3.8
155.08545	1.8
156.09380	1.7
157.10143	4.8
159.08066	100.0
159.11624	3.3
161.09628	2.1
161.13263	2.4
163.11240	1.4
167.08574	1.0
167.10727	0.6
169.10132	1.6
171.11713	5.7
173.09615	0.8
173.13292	1.1
175.11179	1.1
181.10072	1.0
182.10945	1.2
183.04584	0.6
183.11688	1.7
185.09607	2.0
185.13304	0.7
187.11212	1.1
189.12779	3.6
193.10110	1.1
195.08047	0.5
195.11714	1.1
197.13287	2.6
199.11194	4.3
199.14803	1.2
201.12726	2.7
206.10995	1.1
207.11703	1.7
207.13692	1.0
209.13222	1.1
211.11150	0.9
211.14851	0.9
213.12704	1.0
215.14330	1.1
221.13280	1.8
223.11163	0.7
223.14845	1.6
225.12827	3.2
239.14360	1.5
239.17982	0.7
241.15965	0.9
243.13826	1.8
248.03853	0.5
253.19583	1.4
257.19067	2.2
263.17935	3.6
281.19104	22.7
291.94757	0.7
299.09280	0.9
299.20087	44.2
299.23224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03940	0.9
55.01883	1.0
55.05513	3.2
57.07068	1.2
65.03915	0.7
67.05507	5.2
69.03464	1.8
69.07066	3.8
69.83669	0.7
70.23759	0.8
70.41523	2.6
71.04987	0.7
71.08625	0.8
72.08159	1.2
79.05490	4.7
81.07064	6.0
82.43877	0.7
83.04980	1.6
83.08607	3.4
85.06533	0.9
91.05486	21.6
93.07050	6.8
95.04964	1.4
95.08615	6.8
97.06532	2.4
97.10159	0.9
99.00848	0.7
99.04502	0.7
99.08087	1.2
103.05453	1.2
105.07033	15.5
107.08604	8.1
109.06515	2.6
109.10172	3.3
111.04462	1.7
111.08125	1.1
115.05461	1.9
116.06251	5.9
117.07017	2.2
117.36543	0.9
119.04947	6.9
119.08587	14.0
121.06544	1.6
121.10159	8.4
123.08045	3.0
123.11706	0.9
125.09634	2.6
128.06206	1.5
129.07025	8.8
131.08569	36.0
133.06540	1.6
133.10147	4.4
135.08041	2.7
137.09602	1.1
142.07776	1.4
143.08586	3.7
145.06577	1.0
145.10152	4.6
147.08054	2.0
147.11726	1.8
149.09616	5.3
151.07523	1.0
151.11169	0.7
155.08536	2.1
156.09337	2.5
157.10121	5.6
159.08064	100.0
159.11700	2.7
161.09628	2.9
161.13255	1.6
163.11169	0.7
165.07008	1.4
167.10681	0.9
168.09320	0.9
169.08629	1.0
169.10121	2.7
171.11737	5.1
173.09616	1.8
173.13290	0.9
174.10435	1.0
175.11267	1.4
179.08653	1.0
179.10715	0.9
182.10822	1.2
183.11674	2.1
185.09660	1.7
185.13329	1.3
187.11102	1.8
189.12749	3.8
193.10097	1.6
195.11671	1.5
197.09639	0.9
197.13348	3.6
198.14764	0.8
199.11156	4.7
199.14836	1.6
201.12782	3.1
206.10760	0.7
207.11674	2.5
209.13318	1.8
210.10342	1.2
211.14769	2.2
213.12889	1.0
215.14273	0.8
219.11755	0.8
221.13327	1.8
221.74234	0.8
223.11501	0.7
223.14896	2.0
224.15800	0.7
225.12808	3.4
226.13393	0.8
234.14168	0.9
235.14699	0.7
239.14330	1.8
239.17857	1.7
243.13803	1.5
248.15619	0.9
253.15764	0.7
253.19473	1.1
257.19080	1.6
263.17932	3.3
281.19006	24.0
281.22064	1.2
299.05573	1.5
299.08963	1.0
299.12518	1.5
299.20032	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	299.2009
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
51.02365	0.7
53.03934	2.3
54.18421	0.7
54.69881	0.7
55.01855	2.7
55.05516	11.2
55.43778	0.8
57.03411	1.3
57.07056	3.4
59.04966	0.8
65.03925	1.4
67.05193	1.1
67.05511	15.6
69.03436	5.8
69.07072	5.7
71.04972	3.5
71.52428	0.7
79.05499	13.5
81.03424	3.6
81.07060	13.6
83.04971	3.8
83.08636	5.2
84.95883	0.7
85.06527	1.9
91.05490	16.6
93.06501	0.9
93.07048	13.3
95.01332	1.1
95.04978	29.9
95.08620	8.3
97.06482	2.6
97.10132	0.9
99.00813	0.9
101.06010	1.0
103.05429	1.7
105.07040	20.8
107.04964	7.5
107.08609	15.5
109.02882	1.9
109.06521	12.8
109.10156	6.6
111.08067	1.8
113.09612	1.5
115.05456	3.7
116.06197	0.9
117.07020	10.9
119.04921	2.2
119.08589	28.2
121.06506	7.2
121.10139	7.0
122.06045	0.8
123.04389	0.8
123.08076	1.7
123.11674	1.9
125.09589	1.8
128.06226	8.8
129.07018	11.5
130.06641	0.8
130.07780	3.8
131.04202	0.7
131.04947	7.7
131.07747	0.9
131.08578	12.3
131.29106	0.7
132.05742	4.8
133.06480	4.1
133.10156	9.7
135.08061	11.6
135.11652	2.9
137.09610	4.8
141.07011	7.1
142.07797	4.9
143.07530	1.4
143.08569	16.4
144.09308	1.3
145.06500	7.2
145.10129	33.2
146.07155	0.8
147.04390	1.2
147.08000	4.7
147.11676	2.6
148.69760	0.7
149.06001	1.5
149.09602	2.9
151.11153	1.5
153.06943	2.7
154.07721	1.7
155.06099	1.0
155.08569	11.6
156.09297	4.9
157.06528	6.9
157.08968	1.0
157.10136	10.9
158.07304	3.9
158.10870	1.2
159.08080	4.8
159.11697	6.5
161.06013	0.9
161.09628	5.2
161.13235	1.3
163.11166	4.8
165.06967	1.9
166.07808	1.1
167.08562	3.0
168.05815	1.0
169.06473	3.6
169.10107	8.7
170.07263	1.0
170.10904	1.6
171.08067	13.5
171.10490	0.9
171.11693	8.4
172.08739	0.9
173.09637	11.1
173.13263	5.1
174.28142	0.8
175.07556	0.9
175.11140	1.7
177.09096	1.1
179.08551	1.6
179.10684	1.1
181.10152	3.7
182.07144	0.9
182.10870	2.4
183.08073	5.2
183.10136	1.3
183.11685	5.1
184.08823	2.8
184.12469	1.5
185.09668	6.8
185.13193	3.5
187.11212	4.2
187.14763	1.2
189.09062	1.5
189.12692	3.2
191.10648	0.8
191.14285	1.6
192.09372	1.0
193.10117	2.9
195.11702	4.6
197.09535	3.3
197.11603	1.2
197.13280	8.7
198.10403	1.1
199.11166	4.6
199.14861	6.0
201.12692	2.6
203.14284	1.2
207.11671	2.3
208.12439	1.5
209.13239	1.5
210.10381	1.0
211.11057	2.4
211.14749	2.1
213.12689	2.4
213.16312	1.9
215.14401	5.3
217.15897	3.6
221.13181	1.7
223.14793	6.9
225.12854	6.7
237.16423	1.4
239.14313	1.9
239.17938	1.4
240.15152	1.1
241.15898	5.2
243.13925	4.6
248.15430	1.2
251.14142	0.7
253.19504	2.1
257.19022	7.4
263.17871	1.5
265.35748	0.8
269.15436	1.2
271.20517	2.9
281.18964	14.3
299.19962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.73825	0.7
55.01862	2.9
55.05510	4.2
57.03428	3.3
64.84116	0.8
67.05509	31.5
69.03429	1.5
69.07070	3.6
71.01373	1.8
71.05000	4.3
79.05505	7.5
81.03425	3.8
81.07066	25.8
83.04996	1.5
83.08643	1.6
85.02898	0.9
85.06542	2.1
89.40960	0.7
91.05476	5.6
93.07040	8.7
95.04971	5.7
95.08614	13.0
97.02903	1.9
97.06533	3.1
99.00820	4.4
99.04462	2.3
99.08104	1.9
105.07040	4.8
107.04998	1.0
107.08611	3.7
109.02866	2.0
109.06524	2.4
109.10162	69.5
111.04446	2.0
111.08111	1.0
113.06018	1.0
114.71914	0.8
115.95996	0.8
117.07017	1.0
119.08589	7.0
121.06489	1.3
121.10180	5.3
123.04436	1.1
123.08065	1.4
123.11748	1.2
125.05996	7.3
129.07016	1.4
133.10136	2.6
135.07074	0.8
135.08025	1.5
137.09627	100.0
140.84071	0.7
143.08655	0.8
147.08076	1.8
147.11682	2.4
149.05972	0.8
149.09641	1.9
150.18770	0.7
154.05042	1.5
155.05333	2.8
155.07074	0.7
155.10686	20.6
157.10107	1.5
159.11691	0.8
161.09663	1.4
165.09125	79.3
166.69269	0.8
168.05634	0.8
171.11676	0.8
179.10745	0.9
183.10182	10.7
189.09200	1.1
193.12283	1.3
201.11232	12.3
222.74896	0.7
225.11169	1.1
241.14378	1.7
253.10506	0.9
263.19885	0.9
267.15930	10.7
299.06104	1.0
299.09451	3.2
299.18506	4.0
299.24112	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	299.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99930	1.5
53.00294	2.4
53.03940	2.1
54.78559	1.6
55.01862	3.6
55.05310	1.5
55.05511	16.1
57.03434	9.7
57.07066	1.9
58.06593	3.9
59.05001	2.1
59.96945	1.7
62.16317	1.4
65.03941	3.0
67.05508	35.4
69.03416	4.7
69.07082	9.6
69.81355	7.5
70.06606	2.9
71.01363	3.0
71.05000	3.1
72.76160	1.7
75.71364	1.6
79.05496	21.5
81.03412	6.3
81.07064	100.0
82.07388	1.9
83.04972	6.6
83.08621	9.5
84.08144	3.2
85.06509	3.3
86.09702	2.5
91.05483	26.6
93.07052	26.9
95.04964	6.5
95.08616	49.7
97.02895	5.0
97.06527	6.3
99.00815	10.6
99.04435	2.0
99.08080	2.7
103.05498	1.8
105.07036	37.0
107.04957	3.6
107.08588	18.6
109.02886	6.3
109.06515	6.5
109.10175	8.0
111.08079	3.3
117.07027	2.4
119.08577	21.9
121.06510	3.1
121.10160	25.2
123.08108	5.6
123.11718	90.8
126.03691	2.0
127.03952	2.4
129.07074	2.1
131.08617	2.2
133.10141	19.6
135.08051	3.9
136.06181	2.6
137.09613	4.1
137.13272	18.4
143.08591	2.4
145.10129	3.6
147.08028	3.0
147.11700	49.8
149.02364	5.9
151.11180	6.5
157.10153	2.4
161.09663	9.4
165.09087	3.2
165.12766	61.3
167.12355	1.7
171.08073	3.3
179.10675	7.1
189.09131	6.4
193.04953	6.2
197.11801	2.4
203.03578	2.0
207.10144	4.1
225.11249	8.0
237.07619	6.1
237.24088	7.6
238.06065	2.1
239.22032	3.4
266.05869	1.9
271.09683	3.5
284.07120	2.0
288.66367	1.8
299.05621	6.0
299.09875	13.7
299.15060	22.2
299.20554	3.6
299.24124	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	299.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
54.25679	1.8
55.01870	3.7
55.05515	16.3
57.03426	7.7
57.07066	2.6
62.50198	2.0
65.03936	3.7
65.73600	1.8
67.05189	3.2
67.05511	44.5
69.03436	4.8
69.07069	10.2
69.61037	7.0
69.61462	2.9
71.04996	2.6
71.08633	2.7
74.32568	1.6
75.51043	1.6
78.01080	1.8
79.05498	68.8
81.03418	5.6
81.07062	41.3
83.04966	11.3
83.08652	10.8
84.95196	1.8
85.06525	2.8
91.05492	71.2
93.07052	75.1
95.04977	15.3
95.08616	23.8
97.06518	9.3
97.10189	2.4
98.20844	2.7
105.04539	2.8
105.07042	54.6
107.04964	3.6
107.08603	25.6
109.06532	5.4
109.10127	9.4
111.08104	2.2
115.05439	4.6
116.06252	8.2
117.07025	8.0
119.04970	5.1
119.08599	32.2
121.06538	4.9
121.10136	12.7
123.08068	6.3
123.11699	1.9
125.09655	3.5
128.06241	2.7
129.07005	23.8
131.08574	42.8
133.06529	3.5
133.10165	14.7
135.08011	4.5
135.11693	3.0
137.09578	2.4
142.07741	2.8
143.08519	11.3
145.10141	13.4
147.08110	2.0
147.11693	35.1
149.09636	5.1
152.01033	2.2
155.08614	3.0
156.09334	1.8
157.10191	5.3
159.08070	100.0
159.11682	2.6
161.05998	3.3
161.09653	10.6
161.13313	12.4
169.10168	3.5
171.11694	28.4
173.13210	3.4
182.07370	3.2
183.08061	2.5
183.11740	3.7
189.12750	12.6
197.13351	3.9
199.11169	4.6
199.14891	4.3
201.12633	2.1
203.06950	2.0
207.13751	21.1
211.14828	2.9
223.42165	2.0
225.12848	2.9
239.07019	2.7
243.13889	2.5
256.07397	5.2
263.17938	4.2
281.12839	2.3
281.17227	59.6
284.06812	52.8
299.09204	90.7
299.12891	9.2
299.20065	49.5
299.23370	4.4
321.41470	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	297.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.4
69.61581	1.1
69.61982	2.4
70.95882	1.2
71.66799	0.5
71.95277	3.0
77.66684	0.4
79.14780	0.5
80.38918	0.5
98.21486	1.1
98.97589	100.0
116.98629	32.4
120.09116	0.4
130.36331	0.5
130.93306	0.8
134.99655	6.1
140.00160	0.9
141.31889	0.5
163.42238	0.5
172.94365	5.4
174.09216	0.6
190.95291	2.4
208.96191	1.0
214.95355	3.3
232.96411	6.1
250.97372	1.7
256.93680	0.9
256.96429	19.1
261.03107	2.1
274.97501	81.8
275.04553	2.4
292.98566	33.3
297.99136	1.6
298.05759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.4
57.10426	0.6
70.14425	2.4
70.61120	0.6
71.95269	2.5
80.12100	0.6
98.97588	100.0
104.23035	0.6
116.98626	33.0
130.93307	1.2
134.99664	4.2
136.06180	6.2
140.00214	0.7
142.19630	0.6
158.01343	0.6
166.07271	2.0
172.94365	5.6
190.95453	2.0
208.96371	0.7
214.95366	3.1
217.52274	0.6
220.22269	0.6
232.96529	4.5
233.01416	0.8
250.97621	1.4
251.02608	1.0
256.96445	20.5
274.97519	83.4
292.98572	35.3
293.02130	1.1
293.03513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
50.95758	0.1
61.01154	4.3
69.03420	0.4
69.44028	0.7
69.44460	0.5
70.46188	0.2
71.42097	0.1
75.02704	2.2
78.32703	0.2
94.04064	0.3
97.02910	1.4
103.02185	0.3
113.45533	0.2
119.03565	1.0
136.06189	100.0
137.06560	0.3
145.03188	1.4
163.04240	1.3
196.43915	0.2
210.41109	0.2
265.94995	0.2
298.09705	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	298.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.4
55.05512	7.0
57.07078	2.5
60.04515	2.1
67.05506	13.7
69.07063	4.3
71.08619	3.6
71.52257	2.2
79.05497	16.5
81.07058	100.0
83.04977	1.3
83.08620	4.0
85.02905	1.6
88.85126	1.5
91.05494	3.7
93.07044	6.2
95.04978	3.0
95.08611	62.5
97.10179	3.3
99.08106	4.4
105.07048	9.7
107.04965	3.4
107.08610	4.9
109.06506	1.6
119.08575	2.2
121.06519	2.7
121.10176	2.0
121.89109	1.7
123.08073	76.3
133.06497	11.4
133.10153	2.6
136.06195	14.1
141.09105	12.7
147.08128	1.8
151.07550	90.1
165.09128	3.3
169.08568	2.2
171.11470	1.6
187.09677	2.0
199.14967	1.8
235.17023	1.9
240.38252	1.6
263.16504	7.7
263.23502	1.4
280.26398	3.3
292.75040	1.9
298.27667	3.6
298.30765	1.8
299.25769	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	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64618	1.1
53.13604	1.0
55.05507	4.1
57.03435	1.3
57.07064	1.2
57.82811	1.3
59.04991	1.9
67.05498	4.4
69.03438	6.8
69.07074	9.6
70.02370	5.4
73.02922	1.5
73.06538	1.6
75.04457	2.2
79.05482	4.7
81.07063	8.3
83.04978	3.0
83.08618	3.8
85.06551	1.8
90.24917	1.0
91.05482	4.1
93.07034	9.0
95.04980	2.2
95.08606	8.8
97.02934	1.4
97.06503	1.2
98.21471	1.3
105.07024	4.7
107.08596	9.8
109.06533	1.8
109.10148	3.4
113.05948	1.1
115.03944	1.2
115.07569	11.5
117.07001	2.4
119.08566	5.5
121.06529	9.8
121.10148	6.8
122.07323	1.7
123.08080	8.0
123.11707	3.9
125.05962	1.7
125.09587	1.2
131.08565	3.1
133.10139	6.8
135.08063	26.4
135.11679	7.6
137.05984	3.8
137.09579	1.4
143.08508	1.8
145.06445	1.4
145.10106	7.3
147.11638	5.3
149.09595	5.7
149.13225	1.9
150.05380	1.3
157.09981	1.3
159.08078	3.1
159.11722	1.9
161.09639	1.7
161.13286	1.3
163.07552	11.1
163.11172	3.0
163.14786	2.3
164.08232	1.2
165.12737	1.8
173.09535	1.6
173.13319	3.3
175.11099	2.2
176.11969	6.4
177.09091	7.5
181.15588	1.2
187.14781	3.3
191.10693	3.0
191.14314	68.2
195.10153	2.3
197.13304	2.3
205.15869	12.3
215.14299	13.0
233.15367	100.0
247.16951	6.8
265.18021	20.7
279.19531	10.7
279.22629	2.0
280.23279	1.3
282.08667	1.5
297.11270	6.7
297.20630	46.5
318.10129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2213
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
50.19505	4.4
53.03936	7.8
55.05498	19.7
57.07080	7.3
57.55246	4.4
58.02946	4.6
62.12328	3.9
64.20275	4.5
67.05512	34.5
69.03403	4.4
69.07068	35.6
71.05000	4.5
71.52960	6.2
79.05487	28.7
81.07064	54.9
81.72189	3.9
83.04958	9.9
83.08635	8.5
89.65776	4.7
91.05034	4.3
91.05487	39.2
93.07050	63.6
93.67978	4.3
95.04959	17.2
95.08607	98.5
97.06538	18.2
105.07041	88.7
107.08609	44.8
109.06509	13.5
109.10165	35.9
117.07005	12.1
119.08593	64.4
121.06514	25.0
121.10152	100.0
123.11714	61.8
129.07034	8.6
131.08580	19.3
133.07559	6.2
133.10115	50.4
135.08060	8.1
135.11696	16.1
142.07787	17.5
143.08559	16.8
144.09277	5.4
145.10138	53.7
147.08072	7.3
147.11702	34.6
157.10147	61.0
159.11656	29.6
161.09634	17.4
161.13261	11.3
169.10101	6.8
171.11713	11.6
173.09599	7.1
173.13298	18.1
175.11192	30.9
175.14839	14.2
179.08476	6.8
183.11697	9.4
185.13229	8.4
187.14783	8.0
195.11737	7.9
197.13246	8.5
199.14833	5.0
201.16341	10.0
209.13254	9.9
211.14630	5.4
213.16354	6.9
223.14842	14.0
241.15739	7.8
269.22665	7.0
279.20901	8.5
297.22202	55.1
297.29688	7.4
298.30899	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	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03943	4.2
55.01871	6.5
55.05514	75.9
57.03432	10.2
57.07077	22.3
67.05508	95.4
68.00657	2.6
68.17302	2.3
69.03438	7.2
69.06693	4.2
69.07073	61.7
70.56747	3.7
70.57087	4.8
71.01360	2.3
71.05001	7.4
71.08636	18.2
79.05068	4.3
79.05496	43.4
81.07059	100.0
83.04983	9.3
83.08623	43.6
85.06548	6.8
85.10191	4.2
90.38012	2.4
91.05466	13.5
93.07046	38.3
95.04967	4.0
95.08613	81.9
97.06531	11.0
97.10181	48.9
99.08115	7.4
105.07052	10.2
107.08605	40.8
109.10165	48.4
111.08096	8.5
111.11718	3.3
117.07048	5.6
119.08583	8.3
121.10164	18.4
123.08049	2.9
123.11729	18.2
125.09640	39.4
127.11250	4.0
131.08578	9.3
133.10164	9.7
135.08090	7.0
135.10687	3.7
135.11684	30.5
137.09604	4.2
137.13280	10.4
145.10109	6.1
147.11649	11.7
149.13286	7.7
151.07478	3.7
151.14816	4.6
153.09131	5.8
153.12764	11.0
157.10121	3.4
159.11719	4.2
161.13257	5.6
163.14851	4.7
165.12756	4.6
169.15889	8.7
173.11885	4.8
173.13307	7.0
175.14850	4.8
177.12749	4.2
177.16428	4.2
179.14357	4.0
183.13811	56.1
187.14818	6.0
189.11229	25.5
195.13789	3.7
205.97636	2.6
209.15311	3.5
243.21127	13.1
251.23730	15.1
261.22144	30.0
279.23206	95.0
297.11313	5.5
297.18567	3.6
297.24698	17.3
310.81842	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	296.2013
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
53.03954	2.6
55.01867	0.5
55.05520	0.5
56.96548	0.5
57.03445	0.8
66.92644	0.4
67.05500	1.0
69.03425	0.9
69.07070	0.7
69.43783	2.3
70.06619	0.4
73.02917	0.7
77.03928	0.6
79.05510	1.1
81.03416	0.5
81.07059	1.4
85.02912	0.6
86.06123	0.4
86.09679	0.5
91.05484	10.7
93.07050	16.7
95.04974	2.6
95.08591	0.9
97.02881	0.8
103.05477	11.8
105.04523	1.3
105.07034	0.7
107.08563	0.5
109.06551	0.4
109.10183	0.6
115.03895	0.5
118.06550	3.9
120.08110	0.4
121.06515	99.6
122.06831	0.5
132.08069	1.0
133.08876	0.7
137.06030	0.5
144.35728	0.4
146.09636	1.3
159.11766	0.4
163.04044	0.5
176.14360	62.4
177.14706	0.8
194.23885	0.4
250.21730	0.5
296.20129	100.0
297.20422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	4.6
55.01880	24.4
55.05516	44.4
57.03430	6.5
57.07065	5.3
57.71507	1.3
59.04992	1.8
65.03928	2.1
67.05508	74.7
68.68455	1.4
69.03432	9.2
69.07075	49.0
69.61007	4.4
69.61437	5.2
71.04995	7.0
71.08641	8.5
73.02902	2.5
73.06561	1.6
79.05495	44.2
80.05845	1.4
81.03424	15.8
81.07062	78.7
83.04980	15.1
83.08629	21.1
85.02891	3.3
85.06541	3.8
85.10213	1.6
87.04480	2.2
91.05486	32.7
93.07051	60.3
95.04971	19.2
95.08614	68.5
97.02868	1.8
97.06535	10.9
97.10175	22.4
98.20898	2.0
99.08107	7.7
105.04509	1.9
105.06406	1.8
105.07047	22.0
107.04942	4.2
107.08594	39.1
109.06532	8.2
109.10162	37.5
111.04400	1.9
111.08078	7.0
111.11710	3.3
113.05985	2.0
117.07037	7.8
119.08586	22.1
121.06477	5.1
121.10151	24.0
123.08074	26.9
123.11723	9.4
125.09643	15.7
129.07002	4.6
131.08572	7.9
133.06511	2.9
133.10120	14.0
135.08055	5.7
135.10735	1.5
135.11710	21.2
137.05963	3.4
137.09618	28.0
137.13203	2.3
139.07565	1.6
139.11188	20.6
141.09117	1.4
143.08630	2.3
145.10126	5.5
145.78397	1.4
147.08075	2.8
147.11740	9.4
149.09633	3.1
149.13263	9.9
151.07579	4.6
151.11191	13.7
153.09100	2.2
153.12740	4.0
155.10690	2.9
157.10147	2.6
159.11696	5.4
161.09674	3.1
161.13251	11.3
163.11217	4.3
163.14825	5.4
165.09119	6.0
165.12752	8.5
167.14343	4.2
171.11684	5.4
173.11826	2.6
173.13261	3.6
175.11224	2.9
175.14851	6.2
177.12811	1.9
179.10696	2.3
179.14319	4.3
181.12299	9.1
185.13289	4.9
187.14781	1.8
189.11258	8.6
189.12733	2.2
193.12305	2.5
193.15958	3.1
199.14819	3.1
201.16554	1.5
203.14320	2.5
207.13885	2.2
217.19438	2.3
221.15382	3.6
231.21127	6.6
235.11264	3.6
241.19563	6.3
249.22166	22.5
259.20654	10.1
263.10712	2.4
277.21634	100.0
295.09933	2.6
295.13324	10.3
295.22720	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2634
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
52.79646	0.5
53.03947	0.7
53.45004	0.7
55.01871	1.2
55.05516	13.8
57.03448	6.0
57.07078	6.8
58.05257	0.6
59.05009	3.0
61.02932	1.1
67.05510	47.2
69.03443	5.8
69.07075	36.9
70.07388	0.6
71.01376	0.8
71.04996	3.9
71.08646	2.5
73.02924	9.4
73.06555	1.6
75.18187	0.5
79.05499	7.0
80.05824	0.8
81.03438	0.8
81.07064	83.6
82.07451	0.7
83.04998	1.0
83.08627	21.0
85.02920	3.9
85.06554	2.2
91.05489	2.3
91.28819	0.5
93.07051	9.9
95.04978	1.3
95.08615	28.1
96.08951	0.9
96.97140	0.5
97.02895	4.2
97.06551	2.1
97.10177	7.1
99.08093	1.7
105.07053	5.0
107.08607	10.8
109.06542	1.4
109.10165	100.0
110.10539	0.9
111.08102	2.4
111.11729	4.1
113.06059	0.7
113.09636	1.1
115.03941	5.9
119.08569	3.0
121.06512	1.1
121.10152	7.3
123.04482	0.6
123.08141	0.9
123.11717	47.6
123.97540	0.5
125.09657	1.8
125.13288	0.9
127.11205	7.0
133.05000	1.7
133.10143	2.6
135.11673	3.4
137.09662	1.5
137.13264	8.3
138.33800	0.6
139.11192	1.3
141.12729	4.6
143.57898	0.6
145.04930	1.0
147.11731	3.6
149.13277	6.2
151.11198	1.9
151.14861	1.6
153.12801	0.6
155.10680	2.0
155.14323	0.6
157.10069	0.9
161.13234	1.4
163.14842	2.6
165.12755	2.8
165.16437	1.1
169.12286	3.1
173.09659	0.6
173.11839	0.9
175.14816	1.2
177.16466	1.6
179.17979	0.5
183.13716	0.5
187.13356	4.1
189.16359	1.6
191.18027	0.8
203.17990	3.4
221.19063	0.7
259.24200	3.9
277.22165	1.0
277.25275	8.0
295.13040	1.2
295.26334	43.0
296.19943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1857
Annotation	Serratanidine
Peak:m/z	Relative Intensity
55.01885	0.7
55.05273	0.6
55.05516	7.2
57.03419	0.6
57.07063	0.6
67.05513	1.1
68.05020	3.5
69.03426	2.4
69.07060	1.9
71.04992	0.5
79.05494	2.0
80.05020	16.7
81.07052	2.1
83.05009	0.6
83.08617	2.2
87.04475	13.9
91.05499	0.7
93.00699	0.5
93.07041	1.1
94.06595	1.3
95.04960	0.7
95.08591	1.2
97.10178	1.8
105.06971	0.7
107.08601	1.2
108.08162	1.2
118.06557	2.3
118.07337	0.6
119.08559	0.6
120.08109	2.1
121.10143	0.7
121.41823	0.5
124.03979	0.7
125.09638	0.7
136.07585	15.6
136.08577	1.0
141.31606	0.5
148.07578	95.5
149.08304	0.9
154.08670	1.1
162.09151	3.1
166.07364	1.0
166.08630	8.7
166.09956	0.6
174.09178	0.8
188.10699	1.2
192.13847	3.5
198.11256	0.6
200.10707	0.7
210.14943	1.4
232.16960	1.5
242.15428	3.4
260.16470	47.2
267.09174	0.7
278.17551	8.0
278.20703	0.6
278.21872	0.6
278.28369	1.0
296.18567	100.0
297.18982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.92336	2.1
53.03934	7.0
55.01873	14.7
55.05512	30.6
55.16117	2.0
57.03438	20.8
57.07066	8.5
67.05508	57.7
69.03409	3.5
69.06728	3.3
69.07069	28.5
69.23029	4.1
69.23425	20.4
70.44824	2.0
71.05001	12.8
71.08614	8.8
79.05492	49.7
81.03037	1.9
81.03429	16.5
81.06597	4.7
81.07059	81.4
83.04993	12.9
83.08180	2.9
83.08598	16.2
85.02904	3.4
85.06519	5.8
85.10192	4.7
91.05486	25.8
93.07044	59.2
95.04974	15.0
95.08607	65.0
96.95654	2.3
97.04382	2.1
97.06530	13.1
97.10158	9.7
98.20793	4.0
99.08099	10.6
105.07031	23.1
107.04941	2.7
107.08603	44.6
109.06517	7.1
109.10155	29.2
111.08070	11.3
113.09657	4.8
117.06991	4.5
119.08580	18.3
121.10161	33.8
123.08054	9.1
123.11694	7.4
125.09609	6.4
129.07011	2.7
131.08556	11.5
133.10124	24.0
135.11697	20.6
137.09615	9.2
139.11220	3.8
141.09039	2.6
143.08607	4.9
145.10133	9.4
147.11714	14.6
149.09607	4.2
149.13278	12.2
151.11142	15.1
153.12708	2.7
157.10168	3.1
159.11707	8.2
161.13281	8.8
163.11212	4.9
163.14821	4.9
165.12775	13.4
168.74551	2.3
173.13208	3.8
175.14832	4.0
179.14307	5.6
185.13271	4.0
187.14879	10.1
199.14848	2.6
201.16257	2.7
205.15860	4.7
207.13857	3.0
207.17441	82.2
221.15454	2.6
221.19037	3.1
223.16925	3.9
241.19472	6.8
249.22180	2.5
259.20532	7.8
277.21622	100.0
295.13300	5.1
295.22699	88.9
299.12189	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03941	3.6
55.01633	1.4
55.01881	22.7
55.05516	37.9
56.68600	1.0
57.03429	3.7
57.07079	8.9
59.04996	1.3
65.03938	2.4
67.05510	55.2
69.03435	5.6
69.07071	23.8
69.77066	5.9
71.04991	4.8
71.08633	32.6
79.05499	35.2
81.03427	10.7
81.07060	51.5
83.04987	12.7
83.08623	22.9
85.02914	1.8
85.06550	5.0
85.10167	7.6
91.05485	25.0
93.06484	2.1
93.07048	35.2
95.04974	13.6
95.08610	34.5
97.06530	14.1
97.10167	18.1
99.07497	2.2
99.08101	29.8
105.04481	1.1
105.07037	21.6
107.04987	3.9
107.08604	24.0
109.06490	5.8
109.10157	16.4
111.08083	23.8
113.09655	10.4
117.07048	5.2
117.92628	1.1
119.08588	18.3
121.06475	2.0
121.10152	17.1
123.08075	5.9
123.11721	6.3
125.09633	13.7
129.06998	3.1
129.09109	1.2
131.08568	4.6
133.06476	1.1
133.10132	18.9
135.08060	2.9
135.11717	12.2
137.09619	5.3
137.13254	2.3
139.11162	5.2
141.12759	1.7
143.08566	3.4
145.10106	4.8
147.08055	1.5
147.11681	19.3
148.89146	1.4
149.09636	4.1
149.13269	10.2
149.14311	1.7
151.11197	28.6
153.09140	1.6
153.12772	3.5
157.10150	2.6
159.11647	1.8
161.13290	14.6
163.11189	13.0
163.14853	2.6
165.12769	18.2
167.14311	2.7
171.10246	1.8
171.11708	5.5
173.11871	1.4
173.13361	2.9
174.79691	1.0
175.11259	2.6
175.14870	4.4
177.12796	2.5
179.14302	11.2
185.13263	4.4
189.11243	8.5
189.12712	1.9
193.12245	2.6
193.15915	2.8
196.83664	1.0
203.93892	1.1
207.13832	1.9
221.15416	1.9
231.21008	3.7
235.17007	2.0
241.19553	7.7
249.22275	5.2
259.20563	14.0
277.21640	100.0
290.29926	1.0
295.22714	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03945	2.6
55.01879	47.4
55.05518	32.5
55.05788	1.2
57.03429	4.6
57.07078	7.7
64.14696	0.9
65.03928	1.7
67.05514	37.9
68.67481	1.1
69.03429	5.8
69.07076	18.1
69.57832	4.8
71.05001	4.6
71.08643	16.9
73.02934	5.9
79.05498	24.0
81.03426	10.4
81.07069	43.0
83.04990	13.8
83.08624	23.6
85.02908	2.5
85.06544	2.9
85.10199	11.1
91.05492	26.3
92.31575	0.9
93.07052	27.9
95.04980	11.2
95.08615	28.5
97.02911	3.5
97.06548	17.9
97.10177	5.0
99.08094	13.6
101.06006	1.2
105.07039	21.3
105.07706	1.8
107.04975	4.3
107.08610	15.7
109.06506	6.3
109.10182	13.4
111.08092	55.0
113.06009	1.1
113.09649	12.2
113.23004	1.0
115.03249	1.1
115.03960	4.2
117.07014	3.3
119.08601	12.1
121.06530	2.7
121.10166	12.8
123.08113	4.0
123.11713	5.2
125.09657	5.0
129.07011	3.2
131.08559	4.9
133.04977	1.2
133.06502	1.0
133.10146	22.6
135.08125	2.0
135.11703	9.3
137.06061	1.4
137.09630	3.0
137.13269	2.6
139.11182	6.5
141.12851	1.5
143.08632	2.7
145.05009	1.0
145.10158	3.8
147.11708	14.2
149.09647	7.7
149.13266	10.8
151.11195	13.2
153.12747	3.2
157.10172	3.8
159.11732	3.0
161.13281	8.2
163.11211	6.6
163.14847	1.7
165.12769	22.1
167.14389	1.2
169.10231	1.1
171.11763	3.4
173.13289	1.7
175.11234	2.9
175.14882	4.2
177.12787	2.4
177.16286	0.9
179.14290	9.7
185.13235	2.4
189.12820	2.4
193.12302	3.8
199.14857	1.7
206.07355	1.0
207.13895	1.5
211.13393	2.0
221.15309	2.0
231.21136	4.2
235.11348	1.1
241.19568	4.7
248.08568	1.1
249.22148	7.1
259.20554	11.6
277.21655	100.0
295.13379	3.4
295.22705	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.28860	1.0
53.03934	4.0
55.01863	4.5
55.05276	1.3
55.05515	18.9
57.03429	2.2
57.07062	4.8
61.45348	1.1
65.03926	1.8
67.05507	46.2
69.06725	1.5
69.07069	15.9
70.80808	1.1
70.81171	2.9
71.04992	3.6
71.08238	2.0
71.08635	40.3
79.05495	39.5
81.03415	7.9
81.07060	50.9
83.04985	11.6
83.08613	11.5
85.06548	2.2
91.05482	24.6
93.07047	60.7
95.04991	8.9
95.08609	36.0
97.06516	8.7
97.10166	5.5
99.08094	32.6
99.08576	0.6
105.04491	1.3
105.07040	18.8
107.04945	5.4
107.08593	30.8
109.06521	3.0
109.10156	16.3
111.08076	3.4
113.06011	1.1
113.09644	2.6
117.07019	4.1
119.08585	12.7
121.06548	1.1
121.09340	1.9
121.10147	27.7
123.08080	2.2
123.11694	1.9
125.09603	2.3
127.11133	1.4
129.07002	2.1
131.08542	3.4
133.10121	10.4
135.08087	1.6
135.11691	38.8
137.09596	3.4
139.11217	1.6
141.09103	3.5
143.08568	3.2
145.10123	4.0
147.11676	4.3
149.13277	11.0
151.11183	12.4
153.12752	2.0
157.10106	1.6
159.11710	2.1
161.13268	10.7
163.11147	5.3
163.14804	2.2
165.12762	2.1
167.10698	4.2
173.13208	1.2
175.11197	1.5
177.12749	3.7
179.14314	100.0
181.12201	1.9
185.13234	2.5
189.11198	1.6
189.12747	2.1
195.13831	3.1
199.14716	1.3
207.17401	3.6
221.15367	1.9
233.13605	1.1
235.16876	4.6
241.19539	2.2
259.20557	7.2
269.95737	1.2
277.21619	56.8
295.22668	3.0
301.95041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03952	15.3
55.01878	7.1
55.05515	18.7
57.03434	1.6
57.07068	4.1
67.05508	46.9
69.03419	2.3
69.07074	34.8
69.22784	5.3
69.23206	5.9
71.04993	2.6
71.08630	4.2
79.05499	28.3
81.03423	55.7
81.07063	44.0
83.04985	13.9
83.08614	7.5
85.06533	1.2
85.10199	2.1
91.05480	16.7
93.07050	28.0
95.04970	28.0
95.08611	18.2
97.06522	2.9
97.10184	5.4
98.21527	2.7
99.08122	3.7
105.07042	16.2
107.04961	2.4
107.08604	22.9
109.06516	8.6
109.10146	13.3
111.08121	2.4
117.07028	1.8
119.08599	9.2
121.06528	1.8
121.10154	7.6
123.08096	1.4
123.11726	5.1
125.09645	4.5
129.07056	2.8
131.08557	3.5
133.10143	13.3
135.08038	4.1
135.11691	8.0
137.13316	1.4
143.08582	2.4
147.11705	10.3
149.09596	1.6
149.13287	5.0
151.11200	39.6
153.09120	4.1
153.12746	1.2
157.10202	2.3
159.11650	2.0
161.13287	10.4
163.11269	1.6
163.14812	4.6
165.12726	8.2
171.10190	2.7
171.11694	3.2
173.13263	2.3
175.11218	2.0
175.14848	3.7
176.36150	1.2
177.12796	3.0
179.10716	1.7
179.14323	7.4
185.13277	2.3
189.12822	1.8
193.12350	3.6
207.13853	5.2
217.19411	2.4
231.21106	9.4
241.19510	6.2
249.22212	4.4
259.20541	7.4
273.28165	1.3
277.21637	100.0
295.22656	4.3
303.11649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03938	6.6
55.01881	23.8
55.05515	61.4
57.03448	12.2
57.07078	11.7
59.04979	2.6
65.03928	2.9
67.05509	90.0
69.03429	7.8
69.07069	36.0
70.76546	5.1
71.04996	6.4
71.08635	26.8
73.02909	3.8
73.33023	1.9
79.01678	1.6
79.05499	55.8
81.03406	11.8
81.07061	79.8
83.04989	20.2
83.08630	40.0
85.02903	3.5
85.06544	5.0
85.10193	4.3
86.08094	1.5
91.05492	34.9
93.07050	60.9
95.04974	23.1
95.08612	50.0
97.02895	3.6
97.06529	13.7
97.10173	26.2
98.20746	2.0
99.08103	27.2
105.04478	1.9
105.07046	31.7
107.04996	3.5
107.08606	34.4
109.06516	9.4
109.10172	24.1
111.08081	30.3
113.09640	5.7
115.04004	4.9
117.07018	6.1
117.07832	2.0
119.08581	19.1
120.12683	2.0
121.06517	3.5
121.10150	22.8
123.08058	3.7
123.11695	7.8
125.09633	24.4
127.07584	2.1
127.11156	2.0
129.07021	6.5
131.08601	11.2
131.61066	1.7
133.10139	24.1
135.08073	5.2
135.11703	20.9
137.09644	4.8
137.13315	3.4
139.07487	2.1
139.11214	10.3
143.08543	3.5
145.10120	4.1
147.11702	17.2
149.09647	6.9
149.13272	14.6
151.11194	26.8
153.12767	2.8
155.10660	1.9
157.10133	5.8
159.11717	6.5
161.13286	16.4
163.11153	9.6
163.14851	4.3
165.12758	14.5
167.10475	1.8
171.10204	3.8
171.11667	3.4
173.13318	5.5
175.11203	4.7
175.14861	5.2
177.12762	3.0
179.14282	11.1
181.12370	2.4
182.41869	1.7
183.22780	2.0
185.13277	4.5
189.11247	17.0
189.12759	3.4
193.12300	7.5
193.15936	2.0
195.12201	1.6
195.13913	6.3
199.14859	3.6
207.05904	1.8
207.13847	4.2
209.74870	1.9
217.19571	1.8
221.15437	5.3
231.21048	3.9
241.19527	6.9
249.22256	4.1
259.20517	11.2
277.21640	100.0
295.13492	2.0
295.22745	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	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.50062	0.7
53.03938	3.6
55.01870	4.4
55.05512	20.8
57.03444	4.8
57.07062	3.5
60.08154	2.0
65.03918	1.3
67.05505	37.6
69.03424	3.7
69.07070	19.1
69.98014	4.0
71.04978	3.1
71.08635	24.6
73.02920	1.6
79.05495	22.5
81.02978	1.4
81.03423	14.3
81.06599	1.5
81.07060	28.0
83.04976	8.2
83.08617	6.8
85.06534	3.3
85.10210	0.9
86.09710	8.7
91.05486	12.9
93.06489	1.6
93.07051	29.7
95.04968	15.2
95.08616	20.1
97.06534	6.2
97.10172	5.1
98.21489	1.1
98.98481	1.2
99.08103	17.3
105.04530	1.1
105.07038	9.6
107.04917	1.6
107.08591	14.5
109.06520	5.4
109.10165	14.8
109.35992	0.9
111.08068	2.3
113.09671	0.9
117.07010	3.3
117.88805	0.8
119.08582	8.4
121.06513	0.9
121.10158	10.2
123.08076	4.9
123.11700	1.7
125.00005	5.0
125.09624	3.9
127.11171	1.5
129.07014	1.8
131.08560	2.7
133.10133	6.6
135.08064	1.9
135.11699	6.5
137.09621	8.1
139.11185	3.0
139.60469	0.8
143.08569	1.9
145.10118	3.2
147.11699	4.4
149.09625	1.6
149.13249	3.6
151.11179	21.9
153.12727	1.8
157.10162	1.4
159.11734	2.4
161.13286	4.9
163.11208	4.0
163.14850	1.8
164.59027	0.8
165.12729	3.9
171.11684	1.8
173.13286	2.3
175.14842	1.7
177.12944	0.9
179.14337	9.8
184.07349	16.3
185.13297	2.6
189.11221	2.9
189.12747	1.2
189.16273	1.0
191.14099	0.9
191.31778	0.9
193.15898	1.1
221.15434	4.4
231.21071	1.2
241.19485	1.7
249.22264	2.7
259.20596	3.5
265.04324	0.9
277.21625	74.2
295.22693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03942	9.4
54.67092	3.7
55.01874	39.6
55.05272	4.3
55.05514	46.1
57.03451	28.0
57.07073	10.1
61.02924	8.3
67.05508	81.2
69.03426	27.1
69.07077	37.4
70.19717	13.9
71.01333	4.1
71.04956	4.8
71.08626	27.4
73.02924	44.6
76.62942	3.8
79.05495	48.0
81.03432	10.8
81.07061	84.7
83.04989	17.1
83.08624	40.9
85.02908	34.3
85.06536	7.6
85.10190	9.7
91.03953	5.3
91.05476	46.3
93.07048	64.9
95.04969	18.7
95.08616	54.6
97.02899	26.5
97.06526	12.5
97.10180	15.1
99.04485	3.2
99.08099	31.4
105.07044	32.0
107.08601	34.8
109.06522	7.8
109.10163	25.0
111.08097	32.0
113.09663	4.7
115.03939	30.6
117.07015	8.4
119.08594	29.3
119.20636	3.3
120.08125	12.1
121.06517	8.2
121.10143	27.5
123.08051	5.8
123.11680	9.0
125.09624	17.6
129.07053	5.2
131.08583	12.8
133.04915	9.5
133.06485	4.1
133.10144	32.7
135.08104	4.2
135.11679	21.9
137.09618	5.2
138.02119	2.9
139.11186	13.2
143.08633	3.7
145.04964	7.0
145.10150	9.6
147.11665	16.1
147.31293	3.1
149.09648	6.3
149.13254	14.0
151.11201	26.4
153.12827	3.8
157.10146	12.9
159.11714	10.3
161.13248	16.3
163.11240	11.3
163.14903	4.9
165.12775	18.0
171.11687	8.2
173.13281	7.8
175.11215	6.9
175.14905	8.4
177.12801	6.4
179.14331	13.0
185.13264	3.4
187.14806	3.5
189.11349	15.8
189.12766	4.6
193.12199	7.6
195.13725	8.6
221.15553	6.7
231.21152	5.9
241.14365	3.6
241.19533	7.5
249.22243	5.3
259.20569	12.2
277.18854	6.7
277.21671	100.0
295.13501	3.7
295.22867	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01873	7.4
55.05516	5.9
56.05859	0.7
57.03439	5.0
57.07072	1.9
61.02920	1.1
65.03920	1.2
67.05508	9.4
68.05837	0.8
69.03434	4.8
69.07067	6.0
70.64230	0.8
70.64563	1.5
71.08634	1.0
73.02923	8.1
79.05494	7.1
81.03421	2.6
81.07067	30.0
83.04986	2.1
83.08619	3.5
85.02905	4.8
85.06538	0.9
91.05502	5.5
93.07047	6.5
94.07377	1.2
95.04964	2.5
95.08616	8.2
97.02905	5.5
97.06514	1.3
105.07037	5.1
107.08604	5.0
109.06528	12.0
109.10153	3.6
111.04440	13.9
111.08088	1.6
115.03925	5.8
115.18719	0.8
115.93469	0.9
117.06996	1.5
117.59705	0.7
119.08583	5.6
121.06495	2.0
121.10150	5.0
123.08076	2.5
123.11748	1.7
125.05965	3.8
127.03893	1.1
131.08582	2.5
131.38695	0.9
133.05014	1.9
133.06505	1.0
133.10152	4.9
135.08066	2.2
135.11705	3.7
137.05989	100.0
137.13271	1.8
141.33801	0.8
143.08635	1.5
145.05045	0.8
145.10175	2.5
147.11702	6.2
149.09625	3.4
149.13257	1.8
151.07550	2.8
151.11218	2.1
157.10138	2.7
159.11725	1.6
161.09648	4.5
161.13283	1.9
163.11186	2.7
165.09102	1.9
165.12773	0.7
171.11682	1.3
175.11200	4.7
179.10696	1.7
191.47644	1.0
193.12259	2.9
203.17969	4.4
211.13326	1.9
213.16461	2.1
221.18985	1.6
231.17488	8.9
235.11215	1.0
249.18558	11.5
259.17255	0.8
259.20078	0.9
277.18039	55.2
277.20987	9.6
295.13300	2.3
295.19064	6.1
295.22202	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	295.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01888	6.9
55.05515	41.2
57.03442	26.9
59.05006	2.5
60.04467	1.3
65.03955	2.0
67.05507	29.8
68.99805	1.2
69.03436	75.6
69.06738	1.9
69.07076	30.9
69.32818	8.1
69.33233	2.7
70.32750	1.2
71.05002	22.9
72.08150	1.2
73.02910	4.6
79.05496	17.4
81.03423	61.3
81.07059	32.5
82.04199	23.3
83.04496	2.7
83.04987	48.5
83.08628	15.2
85.02911	17.4
85.06566	6.0
87.00824	1.7
87.04502	1.9
91.05485	26.0
93.06484	2.5
93.07050	35.0
95.01313	2.5
95.04974	15.5
95.08613	45.9
97.02892	14.0
97.06532	15.0
99.04456	6.1
99.08114	7.7
103.05476	1.4
105.04485	2.0
105.07033	15.0
107.04961	4.3
107.08610	6.1
109.02882	1.6
109.06519	6.8
109.10159	3.1
111.04446	17.1
111.08087	100.0
113.09647	11.7
115.05447	2.1
117.07013	9.4
119.08587	5.5
121.06550	6.8
121.10165	4.7
123.04462	3.1
123.08074	20.8
125.06004	2.0
125.09563	1.6
127.03915	2.3
127.07568	13.8
129.07001	2.1
133.06496	3.6
133.10147	5.8
135.08070	20.5
139.07553	78.1
141.09109	74.1
141.10216	3.1
145.10123	4.3
147.04381	2.8
147.08052	3.2
149.06035	2.0
149.09677	3.4
151.07556	27.8
151.11206	1.3
161.09613	3.7
163.11191	4.4
167.07030	1.7
173.09677	4.4
175.11188	2.2
179.10670	2.3
189.09071	1.7
191.10670	15.4
207.10178	22.0
209.11740	50.5
225.11203	9.3
249.11276	1.4
272.35144	1.4
277.10928	1.7
277.14169	1.6
277.21729	1.5
295.11801	62.6
295.15063	2.4
295.20572	1.6
296.18549	2.6
303.97357	1.7
306.47464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	BBM 2040A
Peak:m/z	Relative Intensity
55.01874	0.6
55.05513	1.5
55.82465	0.5
56.05030	0.7
57.03442	1.0
58.99595	0.4
59.04995	1.0
60.75883	0.4
61.01145	0.8
61.02913	0.7
65.33952	0.4
67.05457	0.5
69.03436	14.8
69.03816	0.8
70.06601	3.8
71.52386	0.8
72.08157	1.8
74.06062	0.5
79.05490	0.6
81.03399	1.0
81.07056	0.9
83.04974	0.5
84.04506	2.8
84.08123	1.7
85.02907	0.8
85.06580	0.5
86.09702	3.4
87.04471	3.0
91.05480	1.9
93.07063	1.2
93.44116	0.5
95.04992	0.6
95.08630	1.0
96.04480	0.7
96.25887	0.5
97.06530	0.6
97.10161	0.6
104.05372	0.8
105.07042	1.7
107.04955	0.9
107.08584	0.6
115.03917	0.5
116.05000	0.7
116.07099	0.6
118.06549	5.4
119.08561	0.7
120.08106	2.6
121.06518	0.9
123.04455	1.1
124.07594	0.9
129.10220	1.8
130.04967	0.5
130.08659	3.0
133.02864	1.3
133.10083	1.3
136.07584	0.8
138.02969	1.2
138.05586	0.6
145.07625	7.4
146.06007	1.3
147.05557	0.9
147.08005	0.7
147.09172	10.9
147.10281	0.8
157.21404	0.5
161.07091	0.8
161.09618	0.5
162.07877	3.4
163.08714	1.7
163.11012	0.5
165.07011	0.7
169.85551	0.5
173.02345	0.7
173.07115	13.3
175.08684	10.9
179.03432	0.7
179.07027	0.5
190.07362	1.6
191.08162	100.0
203.08220	1.1
204.08542	0.6
213.10236	1.6
213.12494	0.6
221.05978	1.1
228.17059	0.6
231.11302	1.4
231.29971	0.6
233.09174	0.8
249.05325	0.8
250.09146	0.5
251.61465	0.5
259.10843	1.2
263.10721	0.7
277.11844	52.9
295.06165	4.0
295.12881	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03938	4.0
55.01859	7.0
55.05507	12.1
57.03444	42.6
57.07061	6.0
61.02932	15.8
62.54237	2.5
67.05509	17.3
67.46284	2.3
68.56435	2.4
69.03433	41.3
69.07063	8.9
70.03696	11.5
71.01344	8.7
71.04991	2.9
71.08624	9.7
72.10353	2.5
73.02513	5.5
73.02919	100.0
79.05484	14.9
81.03423	11.6
81.07059	23.8
83.04994	4.4
83.08604	9.1
85.02913	48.2
85.10165	2.5
87.04460	3.8
91.03954	3.1
91.05495	13.9
93.07062	13.7
95.04956	7.9
95.08604	14.4
97.02300	3.9
97.02901	55.7
97.06532	4.1
97.10165	4.1
99.08072	6.8
105.07043	11.9
107.08605	9.4
109.02916	3.7
109.06525	4.1
109.10168	10.2
111.08074	2.9
115.03179	4.9
115.03930	59.3
117.07032	2.9
119.08585	8.3
121.06531	2.9
121.10139	9.2
127.03922	13.5
131.08533	3.9
133.04964	17.8
133.10135	9.3
135.11694	6.8
137.06024	13.2
142.07704	2.4
145.04958	10.3
147.11691	6.4
147.69662	2.4
149.09570	2.4
149.13199	3.0
149.99019	3.0
151.11198	7.1
154.87636	2.2
157.10168	4.1
161.13232	4.1
163.06012	6.4
163.11153	2.9
165.12750	2.6
179.14388	3.2
185.09210	2.1
187.66960	2.5
193.12239	10.3
201.50555	2.7
211.13330	7.7
223.05974	3.2
235.11218	3.6
241.07062	2.9
259.20593	3.4
263.10675	4.2
277.18726	3.0
277.21655	19.6
295.13367	10.9
295.22833	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	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03943	1.7
55.01859	4.5
55.05515	10.1
57.03439	49.4
57.07062	4.0
59.04990	4.6
61.02935	11.1
65.03929	2.8
67.05505	15.5
69.03432	49.9
69.07074	19.3
69.90769	3.5
69.91181	4.2
70.06597	1.9
71.01367	10.4
71.04987	4.6
73.02923	100.0
79.05504	8.1
81.03424	12.9
81.07058	27.4
83.04964	3.1
83.08617	11.0
85.02908	51.2
85.06569	2.8
87.04469	4.5
91.03952	2.1
91.05477	5.6
93.07056	10.2
95.04971	3.0
95.08615	17.9
97.02898	53.6
97.06559	3.2
97.10194	3.0
98.21490	2.0
101.89204	1.4
103.05401	1.4
105.07038	18.5
107.08606	11.6
109.02857	7.6
109.06526	5.3
109.10163	39.3
111.04489	1.3
111.08070	1.8
111.11716	1.5
115.03941	67.6
119.08588	4.1
120.08080	1.8
120.26382	1.5
121.06551	1.8
121.10149	6.6
123.08065	1.9
123.11734	6.0
125.09640	2.6
127.03932	11.1
127.11241	2.7
131.08556	4.4
133.04979	19.9
133.10152	17.4
134.18814	1.4
135.08066	2.8
135.11693	4.9
137.13297	2.5
137.62968	1.5
145.04965	12.7
147.11670	2.9
149.13274	4.5
151.03931	25.0
151.05083	2.3
155.10721	1.6
161.09656	5.4
161.13289	1.7
163.06009	3.2
165.12856	2.1
169.04953	1.5
197.13777	2.6
202.27179	1.8
219.21022	1.8
223.06047	1.9
226.17888	1.5
231.13783	1.6
241.07048	3.3
259.23996	1.9
277.14484	2.4
277.25266	6.4
295.08041	4.9
295.15445	4.8
295.18286	1.7
295.26266	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01870	5.4
55.05516	18.3
57.03442	46.1
57.07071	11.6
58.67377	2.5
59.04998	2.2
61.02926	15.8
67.05506	29.3
69.03429	45.2
69.07075	23.0
69.16133	23.1
71.01350	6.4
71.04988	4.3
71.08636	14.9
72.30962	2.1
73.02921	100.0
73.29691	2.1
79.05500	20.6
80.48154	2.3
81.03424	17.8
81.07062	37.2
83.04972	5.7
83.08626	18.2
85.02908	62.2
85.06538	2.8
85.10197	14.1
87.04451	4.4
91.03923	2.3
91.05482	12.7
93.07046	20.4
95.04977	10.6
95.08611	22.7
97.02898	49.6
97.06530	5.4
97.10203	12.2
99.08095	7.6
105.07042	11.7
107.04971	3.4
107.08589	15.9
109.06519	3.6
109.10165	14.0
111.08121	4.1
111.11755	4.0
113.09650	16.5
115.03937	61.5
117.07035	3.9
119.08611	8.9
121.10146	9.6
123.08102	3.1
123.11738	3.9
125.09647	3.5
125.13245	3.3
127.03931	14.7
131.08540	4.7
133.04982	16.9
133.10150	8.6
135.11710	6.6
137.05949	2.9
139.14874	2.6
143.08501	3.5
145.04973	12.5
147.11705	4.9
149.09579	4.7
149.13263	4.3
151.11168	7.4
155.10608	2.3
157.10150	3.7
161.13263	3.3
163.05978	3.5
163.11212	4.3
165.12782	14.7
170.11757	3.1
171.11810	3.4
173.13268	2.8
175.11290	2.4
175.14833	2.3
179.14349	8.5
185.13327	2.7
199.14745	3.1
231.21182	2.5
235.11137	2.6
241.07082	4.7
249.22075	2.4
259.20566	5.0
277.21677	34.4
278.21954	4.5
295.13522	3.1
295.22513	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84464	1.0
53.03946	2.0
55.01870	7.5
55.05242	1.2
55.05514	22.9
56.02186	2.7
56.05844	5.9
57.03430	1.6
58.02113	1.1
59.04989	1.2
65.03937	1.1
67.05182	1.5
67.05511	19.3
68.05830	5.1
69.03419	2.4
69.07070	11.5
70.04075	1.2
70.07388	4.9
71.05012	1.7
79.05498	31.4
80.05833	15.1
81.03404	2.8
81.07061	17.9
82.07402	6.3
82.39410	1.2
83.04971	2.7
83.08632	10.6
84.05313	2.0
84.08109	1.2
84.08953	5.1
85.06544	1.3
89.09614	1.0
91.05485	18.4
92.05818	11.9
93.07053	13.6
94.07385	7.5
95.04964	4.9
95.08605	9.5
95.74149	1.1
96.08949	4.8
97.06533	7.0
97.10182	15.7
98.06855	4.2
98.10512	7.1
98.20805	2.6
105.04494	1.4
105.07037	21.5
106.07361	13.7
107.04961	5.2
107.08601	68.9
108.05277	2.5
108.08930	51.9
109.06505	3.8
109.10141	3.6
110.06834	2.2
110.10526	2.6
117.07027	3.0
118.07366	2.3
119.06140	1.3
119.08585	8.7
120.08923	7.8
121.10131	3.7
122.10448	3.4
123.08045	2.3
124.08417	1.9
125.09639	14.5
126.09981	9.4
131.08580	5.2
132.08891	4.9
133.10132	10.3
134.10486	8.6
135.08052	2.0
135.11642	2.4
136.08385	2.7
136.12038	2.3
144.08868	1.5
145.10123	6.3
146.10484	8.5
147.11702	5.7
148.12032	7.2
149.09596	4.4
149.35689	1.3
150.09947	8.4
151.11244	1.5
152.11496	1.9
159.11667	3.3
160.12115	5.2
162.13661	2.3
164.11455	1.8
172.12076	1.9
174.13576	2.3
180.14494	1.6
182.12521	1.9
184.12038	2.3
188.11452	2.0
189.11220	8.1
190.11601	8.3
202.50565	1.0
230.19777	2.3
240.18286	4.7
248.20827	2.0
258.19409	10.2
276.20422	100.0
277.21475	1.8
291.66232	1.4
294.21469	13.4
294.24512	2.1
294.28354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01867	0.4
55.05516	0.4
55.06421	0.2
57.07076	0.5
57.32797	0.2
62.06093	1.2
66.04729	0.3
67.05513	1.4
67.34422	0.2
69.07053	0.3
69.50982	1.3
71.08647	0.3
72.08609	0.2
79.05517	1.6
81.07065	3.1
83.08607	0.2
91.05513	1.1
92.05798	0.3
93.07055	0.5
94.04183	1.8
94.07368	0.2
95.04996	0.4
95.07014	0.2
95.08630	0.6
97.06563	0.3
97.10201	0.3
98.06853	0.2
105.07051	0.5
106.07366	0.2
107.04961	0.3
107.08594	0.8
108.08923	0.7
109.06535	0.3
109.10197	0.2
110.06795	0.2
113.16903	0.2
119.08598	0.4
121.10163	0.3
122.03652	5.8
122.04498	0.4
123.11720	1.8
133.10129	0.3
134.10489	0.4
137.05986	100.0
138.06314	0.3
139.11230	0.2
141.12738	0.2
150.10004	0.4
158.15427	1.3
170.15416	2.5
233.16325	0.2
258.19070	0.2
276.20459	1.4
277.21567	0.4
286.88879	0.2
294.21066	1.0
294.24289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01860	2.3
55.05505	2.5
55.91482	1.3
56.05040	7.3
56.96562	6.4
57.03418	3.3
57.07055	1.3
60.04535	7.5
61.02924	3.3
62.42528	1.3
66.64297	1.6
67.05506	2.6
68.05035	3.6
69.03422	6.4
69.07050	6.6
69.81798	7.2
70.02927	1.7
70.06593	24.3
72.04502	6.2
72.08163	14.3
72.93822	1.7
73.02915	3.7
74.06065	5.7
75.44326	1.6
77.03982	1.4
79.05453	1.5
79.21950	1.4
81.03413	1.5
81.07046	4.8
82.06575	3.3
83.06105	3.2
84.04511	18.9
84.08147	39.9
85.02908	10.5
86.02419	2.8
86.06044	1.7
86.09236	2.3
86.09716	36.6
88.03984	12.9
89.03902	2.1
91.05479	2.9
93.07064	1.5
96.04498	3.6
96.08118	4.1
97.02892	2.8
97.06510	6.4
98.09674	4.0
98.20888	2.0
98.97591	11.9
102.05545	46.5
103.03928	5.1
103.05460	2.9
107.04986	1.6
109.02901	1.6
110.06042	1.9
110.07164	2.2
110.97548	1.9
112.07631	1.6
114.05526	3.0
115.03863	1.6
115.08707	2.5
116.07068	4.6
116.98593	4.0
118.05066	3.6
120.06629	1.5
120.08124	12.8
123.04382	2.8
126.05538	4.3
126.09187	2.3
127.03909	2.7
128.10724	36.7
128.98593	3.0
129.10301	7.1
130.05008	2.7
130.08650	4.3
131.96112	1.8
132.06563	1.8
132.10197	15.1
133.02850	1.9
135.04430	4.3
136.07576	3.2
137.06006	2.6
145.04944	1.8
146.04486	4.4
146.08156	3.8
146.99667	2.2
147.04396	3.2
147.07593	1.7
148.04782	1.8
150.05521	5.4
152.10690	3.3
156.10272	2.2
158.11784	10.0
158.99524	2.2
160.06068	3.5
161.06010	3.6
162.07648	18.8
163.03914	11.9
170.11751	7.0
174.11224	12.8
177.00670	4.4
180.10272	1.7
188.12825	13.2
189.05444	2.0
191.03969	1.7
192.16589	1.5
193.04945	1.9
195.01921	2.0
204.08559	2.1
213.05591	2.3
216.12285	5.6
217.04947	1.7
230.02104	4.9
230.13962	7.7
231.06348	1.4
234.09789	1.9
234.13379	9.3
235.16544	3.1
247.01445	2.4
248.14943	89.0
259.06009	2.2
276.13892	2.8
293.71851	2.7
294.15454	100.0
294.20999	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	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03951	2.4
55.01877	5.0
55.05516	23.2
56.96572	2.0
57.03441	1.6
57.07085	14.9
59.05016	1.0
65.03949	1.6
67.05511	34.4
69.03437	2.2
69.07076	45.2
70.10526	2.4
71.04992	2.2
71.08636	6.5
79.05499	16.3
81.03410	1.3
81.07064	94.2
82.07409	1.0
83.04990	3.5
83.08626	28.0
85.06551	9.8
85.10216	1.8
91.05488	8.0
93.07052	19.4
95.04981	5.1
95.08615	100.0
96.08906	0.6
97.02904	0.9
97.06548	5.4
97.10181	16.1
98.21439	0.8
98.97594	2.4
99.08102	7.8
105.07043	7.6
107.04974	1.9
107.07878	1.3
107.08605	24.3
109.06541	3.0
109.10167	48.0
111.08096	4.9
111.11736	8.4
112.99145	1.1
113.09660	2.2
116.98679	0.8
117.07025	1.5
119.08578	4.5
121.06487	1.6
121.10148	12.4
123.08067	1.9
123.11717	30.2
125.05950	0.7
125.09633	6.1
125.13272	4.9
131.00183	1.5
131.08589	3.2
133.10141	3.7
135.08018	1.4
135.11676	8.9
137.09637	1.8
137.13268	50.5
139.11203	1.9
139.14816	1.1
143.08662	0.7
145.10139	2.7
147.11705	2.3
149.01222	1.1
149.05969	0.9
149.09627	3.6
149.13269	12.9
151.11259	1.0
151.14839	6.9
153.09097	1.2
153.12773	2.9
155.14366	1.1
159.11729	1.9
161.13324	1.0
163.11162	3.2
163.14809	5.6
165.16420	3.2
167.10696	0.8
167.14337	7.1
169.10190	1.0
169.15834	0.8
171.10287	0.7
171.11655	0.9
173.13304	1.1
175.11314	0.7
176.15747	0.7
177.00774	0.9
177.12730	0.8
177.16425	1.6
179.10747	1.5
179.17982	2.5
181.12329	0.7
183.11864	0.8
189.11235	2.6
191.18030	2.0
193.19598	1.1
197.13445	0.8
205.19560	1.5
207.20984	0.7
219.12007	0.9
219.21069	1.5
223.13332	2.5
223.20497	0.8
237.08946	1.6
237.22092	0.9
247.60492	0.6
249.25845	1.5
249.59225	0.8
250.09703	0.9
255.16119	0.7
257.19025	2.2
275.20105	14.9
275.27393	5.6
284.12939	1.8
293.13495	1.1
293.21201	19.6
293.28394	40.2
314.93802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01877	5.0
55.05516	23.2
56.96572	2.0
57.03441	1.6
57.07085	14.9
59.05016	1.0
65.03949	1.6
67.05511	34.4
69.03437	2.2
69.07076	45.2
70.10526	2.4
71.04992	2.2
71.08636	6.5
79.05499	16.3
81.03410	1.3
81.07064	94.2
82.07409	1.0
83.04990	3.5
83.08626	28.0
85.06551	9.8
85.10216	1.8
91.05488	8.0
93.07052	19.4
95.04981	5.1
95.08615	100.0
96.08906	0.6
97.02904	0.9
97.06548	5.4
97.10181	16.1
98.21439	0.8
98.97594	2.4
99.08102	7.8
105.07043	7.6
107.04974	1.9
107.07878	1.3
107.08605	24.3
109.06541	3.0
109.10167	48.0
111.08096	4.9
111.11736	8.4
112.99145	1.1
113.09660	2.2
116.98679	0.8
117.07025	1.5
119.08578	4.5
121.06487	1.6
121.10148	12.4
123.08067	1.9
123.11717	30.2
125.05950	0.7
125.09633	6.1
125.13272	4.9
131.00183	1.5
131.08589	3.2
133.10141	3.7
135.08018	1.4
135.11676	8.9
137.09637	1.8
137.13268	50.5
139.11203	1.9
139.14816	1.1
143.08662	0.7
145.10139	2.7
147.11705	2.3
149.01222	1.1
149.05969	0.9
149.09627	3.6
149.13269	12.9
151.11259	1.0
151.14839	6.9
153.09097	1.2
153.12773	2.9
155.14366	1.1
159.11729	1.9
161.13324	1.0
163.11162	3.2
163.14809	5.6
165.16420	3.2
167.10696	0.8
167.14337	7.1
169.10190	1.0
169.15834	0.8
171.10287	0.7
171.11655	0.9
173.13304	1.1
175.11314	0.7
176.15747	0.7
177.00774	0.9
177.12730	0.8
177.16425	1.6
179.10747	1.5
179.17982	2.5
181.12329	0.7
183.11864	0.8
189.11235	2.6
191.18030	2.0
193.19598	1.1
197.13445	0.8
205.19560	1.5
207.20984	0.7
219.12007	0.9
219.21069	1.5
223.13332	2.5
223.20497	0.8
237.08946	1.6
237.22092	0.9
247.60492	0.6
249.25845	1.5
249.59225	0.8
250.09703	0.9
255.16119	0.7
257.19025	2.2
275.20105	14.9
275.27393	5.6
284.12939	1.8
293.13495	1.1
293.21201	19.6
293.28394	40.2
314.93802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.02380	0.7
53.03953	8.3
55.01873	0.9
55.05516	3.9
57.03439	0.7
57.07090	2.1
67.05512	6.0
69.03442	0.5
69.07072	10.5
71.05007	2.6
71.08628	0.5
71.52208	0.4
77.03931	1.7
79.05499	100.0
81.03423	1.1
81.07061	8.6
83.04985	0.8
83.08624	5.3
85.06554	1.1
91.05482	3.4
93.07055	6.8
95.04978	9.0
95.08614	9.8
97.06551	2.4
97.10181	2.0
99.08117	1.3
103.05486	0.6
105.04530	3.8
105.07030	2.6
107.04963	84.8
107.08601	6.4
109.06551	1.2
109.10165	5.8
111.08069	1.3
111.11742	1.4
117.07004	0.8
119.08598	1.6
121.06553	0.8
121.10166	2.9
123.08097	2.5
123.11720	2.6
125.09627	1.0
129.07019	0.6
131.08609	1.5
133.10161	1.6
134.34627	0.4
135.11700	3.9
137.12315	0.4
137.13235	1.1
145.10129	0.9
147.11690	0.9
149.13261	2.5
153.12767	0.8
159.08080	1.1
159.11717	1.1
163.11201	0.4
163.14876	0.7
175.11017	0.5
186.53593	0.4
201.43785	0.4
217.31424	0.4
257.18985	1.2
275.20087	10.2
275.27481	0.8
293.08139	0.8
293.14148	0.6
293.21140	19.6
293.28223	4.0
300.82703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.01464	0.8
53.03944	1.9
55.01861	1.4
55.05513	10.2
56.97916	0.8
57.03416	1.1
57.07073	2.4
58.67144	0.7
59.42220	0.7
60.41850	0.8
63.32773	0.7
65.03938	3.1
67.05505	93.5
69.07071	11.6
69.46156	5.2
69.46539	1.5
79.05499	18.2
80.02740	0.7
81.07056	100.0
83.05002	2.2
83.08624	9.0
85.06539	2.9
89.99926	0.8
91.05472	9.2
93.07044	18.0
95.04961	3.3
95.08608	85.7
95.48549	0.8
97.06528	4.4
97.10168	3.9
98.20764	1.6
99.08083	1.2
105.07037	9.5
106.12075	1.0
107.04974	1.5
107.08594	13.7
109.06518	2.5
109.10161	35.2
111.08069	1.6
117.07010	3.7
119.08556	9.7
121.06513	1.1
121.10154	11.0
123.08067	2.7
123.11711	16.3
125.09648	2.2
129.97972	0.7
131.08580	7.9
133.10147	7.0
135.08064	3.0
135.11700	7.7
137.09633	2.6
137.13248	9.9
139.11214	0.8
139.97125	0.8
143.08586	1.0
145.10153	6.8
147.11705	5.7
149.09583	5.1
149.13251	5.2
151.11177	3.0
151.14774	4.1
157.10091	0.8
159.11707	7.0
161.13254	3.2
163.11212	5.3
163.14842	3.0
165.12738	2.2
165.16403	1.4
169.10167	1.0
171.11674	0.9
173.13277	7.4
177.12788	2.6
177.16418	2.8
179.14359	2.3
181.04984	0.9
187.14810	3.3
189.16521	1.1
191.14336	2.9
205.15863	1.9
209.11752	2.5
209.15398	1.0
215.17880	0.8
219.21011	1.7
223.16936	1.2
229.19405	0.8
237.11191	3.1
237.18469	1.0
239.17938	2.3
243.21030	7.0
247.20604	1.0
257.18994	4.2
261.22208	7.1
275.20093	20.3
293.11609	1.2
293.21185	4.5
293.24765	16.0
306.74091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03938	2.2
55.01877	1.4
55.05511	22.5
57.07075	13.6
65.03935	0.8
67.05505	31.9
69.03410	0.7
69.07070	46.6
69.38006	4.2
71.05004	1.9
71.08630	5.5
79.05495	8.7
81.07057	87.7
83.08620	29.4
83.09120	1.3
85.06542	11.8
85.10180	1.8
91.05476	3.4
93.07043	14.8
95.04961	1.3
95.08608	100.0
97.06519	2.1
97.10175	16.2
98.20764	1.4
99.08096	9.9
105.07030	2.5
107.08587	14.8
109.06638	0.7
109.10159	66.8
111.08074	3.9
111.11722	14.6
111.12453	1.3
113.09646	2.7
117.07050	0.9
119.08599	1.6
121.10152	10.1
123.04490	0.7
123.08118	0.8
123.11710	37.4
125.09626	1.8
125.13280	7.5
127.11210	1.4
131.08632	1.0
131.48669	0.7
133.10144	1.2
135.11665	7.8
137.13255	29.8
139.11198	1.3
139.14803	2.2
145.10143	1.4
149.13254	13.0
151.07555	0.9
151.14815	8.9
153.12775	1.7
155.14311	1.3
163.14850	4.9
165.16351	5.5
167.14326	4.5
167.66405	0.7
169.15872	1.3
177.16380	3.3
179.17924	3.9
181.15846	1.1
191.17969	2.3
193.19557	1.9
195.17377	0.8
205.19501	2.0
207.21078	1.1
209.18982	1.1
211.20639	0.8
219.21060	0.8
221.08044	0.7
223.20566	1.0
237.22105	1.1
247.24123	0.8
249.25768	2.2
275.20053	2.3
275.27332	6.2
293.21414	4.4
293.28387	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.29706	0.9
53.03941	3.4
55.01873	7.3
55.05513	22.3
57.03423	1.5
65.03938	1.4
65.73548	0.8
67.05181	1.5
67.05508	18.9
69.03413	2.9
69.07069	9.6
71.05000	1.5
71.25597	1.6
79.05495	44.3
81.03409	3.2
81.07059	19.6
83.04970	3.1
83.08622	13.3
85.06539	2.1
85.16941	0.8
91.05484	24.0
93.07046	16.2
95.04963	4.9
95.08615	11.6
96.65685	0.9
97.06531	8.5
97.10173	21.9
105.07033	31.8
107.04969	6.9
107.08597	100.0
109.06516	4.7
109.10165	5.7
111.08078	2.0
116.54487	0.8
117.07003	4.4
119.06039	1.4
119.08575	14.7
121.06487	2.7
121.10151	6.6
123.08064	1.4
123.11728	2.3
125.09631	19.7
129.06976	1.1
131.08568	8.3
133.10129	17.3
135.08044	3.9
135.11679	4.0
143.10620	1.0
145.10126	10.4
147.08020	1.1
147.11691	12.5
149.09619	9.7
149.13193	1.2
151.11220	2.3
157.10107	1.9
159.11678	6.2
161.09666	1.4
161.13248	3.4
163.11179	3.5
171.10130	3.1
171.11693	3.0
173.13260	2.6
177.12706	1.1
179.14331	0.9
181.12239	2.9
183.11668	1.7
189.11218	15.7
197.13304	1.4
205.12410	0.9
207.47189	1.0
229.19443	1.9
239.18008	3.9
247.20595	2.1
257.19000	9.8
275.20074	80.2
293.21124	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.13675	1.5
53.00302	1.6
53.03942	4.5
55.01887	7.1
55.05516	51.8
57.03440	18.3
57.07084	9.6
67.05510	42.5
69.03431	2.2
69.07080	25.2
69.92936	6.2
71.04993	5.2
71.08622	1.6
73.71577	1.3
79.05073	2.7
79.05502	44.0
80.81578	1.3
81.03425	7.6
81.06592	3.3
81.07060	47.1
83.04977	16.8
83.08624	34.5
85.02869	2.7
85.06556	7.4
91.05490	39.2
93.07051	52.1
95.04977	24.5
95.08617	39.6
97.06541	8.7
97.07101	1.4
97.10166	4.9
99.04456	4.2
99.08094	2.3
105.07046	29.3
107.04948	6.4
107.08603	29.5
109.06537	13.0
109.10165	14.1
111.04457	5.5
111.08070	7.2
117.07033	11.7
119.08595	23.9
121.06503	8.8
121.10149	15.7
123.08070	6.7
123.11713	3.9
125.05997	2.3
125.09631	4.5
129.07033	2.9
131.08575	18.6
133.10143	22.4
135.08101	7.3
135.11690	12.6
137.09631	8.5
139.07529	2.9
143.08580	2.5
145.10129	14.3
147.11714	10.7
149.09612	10.0
149.13284	2.7
151.11198	5.4
153.05510	2.7
153.12723	2.2
155.08617	1.5
157.10121	2.9
159.11674	8.8
161.09546	2.0
161.13251	3.4
163.11203	5.9
165.12851	1.7
167.10605	1.6
169.10202	1.9
171.11745	1.5
173.13306	4.4
175.11214	2.5
181.05028	3.8
181.12263	2.7
185.13306	4.3
187.11214	1.6
189.11298	1.4
191.10675	4.4
193.12206	2.9
201.16443	3.9
203.14325	4.4
209.11760	8.8
211.13251	2.9
219.10115	1.9
219.17458	100.0
221.15265	1.8
223.13293	4.3
237.11208	19.9
239.18082	1.9
247.20601	3.6
251.16425	4.7
257.19016	6.1
265.21671	3.7
275.20093	54.6
293.21121	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.02396	1.2
53.03935	3.4
55.01872	4.5
55.05516	34.2
57.03206	1.2
57.03446	15.3
57.07071	4.2
57.34558	0.8
65.03957	1.2
67.05508	26.9
69.03422	1.2
69.07074	12.5
69.92837	5.0
71.04990	3.0
77.75777	0.8
79.05497	24.1
81.03423	4.9
81.06596	1.7
81.07062	29.7
83.04975	7.4
83.08160	1.7
83.08627	25.0
85.02924	1.6
85.06561	6.4
91.04915	1.7
91.05488	28.2
93.07053	32.8
94.59156	0.9
95.04980	14.8
95.08620	24.8
97.06527	5.2
97.10180	3.5
99.04461	4.8
99.08102	1.8
104.10725	1.1
105.07030	20.3
107.04955	4.1
107.08606	17.3
109.06512	8.5
109.10172	9.0
111.04441	3.3
111.08086	4.5
117.07021	10.5
119.07809	0.8
119.08580	17.9
121.06519	6.2
121.10150	10.8
123.08060	4.4
123.11742	2.6
125.05990	1.1
125.09612	2.8
129.07007	2.7
131.08575	12.9
133.10127	13.3
135.08028	4.4
135.11700	6.2
137.09637	6.4
139.07535	1.1
143.08577	3.1
145.10129	8.2
147.08022	1.2
147.11734	7.8
149.09610	6.8
149.13268	1.6
151.11200	3.6
153.12755	2.2
157.10176	1.1
159.11674	6.0
161.09692	1.3
161.13281	2.6
163.11201	3.9
165.12773	1.0
171.11699	1.0
173.13319	3.5
175.11191	1.6
175.14822	1.1
177.12683	1.1
181.04938	2.7
185.13286	4.7
191.10716	2.7
193.12277	2.5
201.16423	5.3
203.14319	4.0
209.11771	5.8
211.13272	3.2
219.17458	100.0
221.15359	3.2
223.13280	1.7
229.19519	1.1
233.11702	1.3
237.11264	12.2
239.18025	1.1
240.10123	1.1
247.20580	2.4
251.16490	3.1
257.19043	5.6
265.17685	1.1
265.21655	2.2
272.65411	0.9
275.20078	34.4
289.38754	1.0
293.21152	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03931	4.6
55.01884	28.8
55.05517	63.1
57.03432	4.4
67.05505	43.5
69.03421	4.3
69.07085	14.6
70.12476	10.5
71.04981	4.3
75.77504	2.3
79.05500	90.3
81.03411	3.5
81.07068	46.0
83.04984	22.2
83.08633	31.9
91.05483	32.9
93.07056	47.6
95.04987	15.2
95.08607	17.5
97.06549	40.3
97.10166	18.4
105.07043	37.4
107.04959	38.3
107.08599	55.4
109.06538	6.8
109.10176	20.3
111.08067	5.5
117.07013	11.2
119.08596	24.7
121.06513	5.0
121.10150	15.9
123.08107	3.9
123.11710	6.4
125.09662	20.4
129.53946	2.6
131.08575	17.1
133.10156	28.1
135.08049	7.9
135.11720	5.7
145.10120	13.5
147.11676	20.7
149.09634	70.5
153.12587	3.2
159.11688	9.2
161.13255	3.5
165.09067	3.4
167.10709	2.7
169.12242	3.6
171.11589	3.1
173.13133	4.8
183.11612	3.4
187.13290	3.1
187.14848	3.6
189.11259	13.3
193.12288	3.9
209.15344	7.5
215.18236	3.4
229.19583	6.5
239.17986	3.8
247.20557	6.4
257.19040	18.5
275.20087	100.0
293.21310	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	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03941	1.9
54.02713	0.8
55.01870	1.9
55.05514	13.5
57.03439	2.2
57.07066	3.0
59.04982	4.0
59.33150	1.0
67.05506	14.2
69.03432	6.9
69.07066	11.6
71.04980	4.1
71.52140	1.6
79.05502	10.9
80.40340	0.9
81.07063	21.6
83.04986	11.6
83.08625	4.5
85.06538	9.4
91.05472	6.2
93.07055	18.4
95.04984	8.3
95.08611	19.0
97.06554	7.1
97.10151	5.1
99.08088	2.0
101.06023	2.5
105.07033	9.8
107.04941	4.0
107.08595	15.0
109.06517	5.0
109.10166	14.0
111.04433	2.3
111.08073	5.5
111.11751	1.2
113.05985	4.0
113.09655	1.9
117.06999	2.1
119.08584	14.1
121.06518	5.6
121.10145	31.0
123.04422	16.1
123.08057	3.7
123.11713	7.6
125.06024	2.0
125.09631	19.4
127.07552	3.8
129.06972	1.6
131.08580	6.1
133.10141	11.2
135.08073	7.8
135.11703	4.8
137.05986	1.6
137.09633	5.2
137.13257	3.0
139.11214	7.6
143.08560	1.8
145.10127	7.8
147.04398	1.2
147.08051	1.9
147.11697	6.3
149.05965	1.7
149.09625	9.6
149.13269	4.2
151.07446	1.3
151.11198	3.0
153.09116	9.6
157.10065	1.1
158.10938	1.4
159.11690	7.9
161.09586	3.0
161.13260	1.8
163.07507	1.4
163.11177	7.3
163.14830	3.7
165.09108	2.6
165.16400	2.1
167.10654	2.7
171.11751	1.8
173.09575	1.6
173.13275	14.9
173.48528	1.0
175.11139	1.9
175.14835	4.2
177.08972	1.3
177.12772	1.8
179.10687	9.1
181.12206	4.9
183.11690	1.4
185.13225	1.9
187.11165	1.5
187.14839	11.3
189.12743	2.6
189.16373	2.1
191.14310	7.6
194.31769	1.0
197.13264	1.3
199.14851	1.5
201.12718	2.8
203.14319	2.9
205.12321	1.2
205.15872	1.8
209.15410	2.8
215.14386	1.3
215.18031	1.2
217.15881	3.4
219.13843	4.3
229.16006	1.2
229.19571	5.4
233.15430	5.2
233.19032	1.9
239.17802	1.4
247.20560	3.0
257.19012	6.1
265.08646	1.5
275.20071	54.8
293.08252	2.5
293.11691	4.5
293.21118	100.0
293.28143	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	5.5
54.24104	1.8
55.01875	9.8
55.05516	50.1
57.03430	6.1
57.07088	2.1
59.04987	1.7
65.03960	2.3
67.05511	40.0
69.03438	4.6
69.07077	18.8
69.39362	4.6
69.39780	8.0
71.04985	3.1
77.13663	1.5
79.05499	40.6
79.05937	1.5
81.03417	8.1
81.07061	100.0
83.05007	8.2
83.08624	28.3
83.09111	1.1
85.06545	2.1
85.07488	1.6
91.05479	24.7
93.07041	24.6
95.04971	16.9
95.08611	21.5
97.06534	6.4
97.10170	38.0
105.07034	29.2
107.04949	6.6
107.08605	28.7
109.06525	35.9
109.10149	10.8
111.08092	5.1
117.07000	8.9
119.08584	18.4
121.06517	6.0
121.10146	16.0
123.08099	8.5
123.11698	5.7
125.09633	34.9
129.07022	3.7
131.08572	16.1
133.10129	13.7
135.08099	8.8
135.11650	5.9
137.09663	3.7
141.06906	1.7
143.08609	2.0
143.10664	2.0
145.10141	12.1
147.11690	17.0
149.09613	9.4
149.13249	6.4
151.11183	4.0
153.09109	3.3
157.10170	3.4
159.11728	7.9
160.18697	1.4
161.09645	1.6
161.13171	3.5
163.11200	8.5
163.14923	2.0
164.95255	1.6
165.12827	4.2
171.10201	7.4
173.13293	2.0
175.11240	3.9
177.12753	1.9
179.14290	1.8
183.11719	3.0
187.11169	2.3
189.11220	30.3
189.12755	3.1
193.12248	3.0
197.13313	2.3
229.19511	3.5
237.15001	1.6
239.18013	3.5
247.20627	4.8
257.19031	7.4
261.02829	1.8
275.20074	62.3
293.21146	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03936	2.0
55.01870	2.5
55.05517	6.8
57.03447	1.2
65.03941	1.0
67.05504	19.1
69.03412	1.6
69.07072	17.0
69.29618	7.6
71.04995	1.2
76.60727	0.8
79.05501	10.0
81.07059	19.1
82.59443	0.8
83.04991	4.2
83.08611	3.7
91.05479	10.7
91.83233	1.0
93.07050	18.1
95.04967	4.9
95.08604	13.4
97.06532	2.6
97.10139	1.9
98.09689	1.1
99.00861	0.9
105.07027	17.5
107.04955	3.4
107.08599	10.0
109.06531	7.4
109.10162	6.6
111.08102	1.2
117.07017	4.5
119.08588	9.2
121.06511	6.8
121.10158	5.3
123.08047	2.6
123.11690	2.4
125.09631	1.6
129.07028	2.5
131.08575	9.2
133.10144	14.0
135.08064	2.1
135.11676	3.8
145.06491	1.1
145.10120	10.1
147.08026	2.5
147.11713	8.4
149.09613	3.3
149.13290	1.4
151.11194	4.1
152.35915	1.0
157.10107	2.0
159.07988	1.0
159.11687	5.7
161.09608	2.4
161.13290	2.2
163.11171	3.6
163.85817	1.0
171.11708	2.3
173.09564	1.3
173.13278	3.5
175.11159	1.8
175.14764	1.1
177.12787	2.4
183.11713	1.8
187.11229	2.5
187.14861	1.1
191.14325	1.7
197.13283	1.1
201.12827	1.6
207.13916	2.4
213.16362	1.1
215.14450	1.4
215.17967	1.4
217.15904	1.1
219.13811	5.9
229.19489	2.2
239.17947	2.8
242.07721	0.9
247.20514	1.7
249.54439	0.9
257.18997	12.9
275.20068	100.0
293.21130	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03955	24.6
55.01878	31.3
55.05516	61.1
57.03435	5.5
57.07077	4.2
58.92155	3.3
62.43093	3.3
65.03932	4.2
67.05511	66.6
69.07073	47.3
69.34308	17.6
69.34720	9.7
71.01351	3.6
71.04983	7.4
79.05498	53.1
81.03426	60.6
81.07059	100.0
83.00495	3.7
83.04978	18.3
83.08617	44.1
85.06519	5.9
91.05490	54.4
91.06033	6.2
93.07045	52.3
95.01324	10.4
95.04962	35.2
95.08618	46.4
97.06538	22.6
97.10181	11.7
99.08077	4.8
105.07046	95.5
107.04967	30.3
107.08590	30.3
109.06533	16.7
109.10163	9.9
111.04471	6.9
111.08075	4.9
117.07038	23.7
117.79951	3.2
119.08595	51.0
121.06548	15.0
121.10171	19.9
123.08079	12.7
125.09635	28.3
131.08572	30.5
133.06520	5.1
133.10150	52.8
135.08076	8.1
135.11726	19.7
137.09645	4.5
141.06978	7.2
143.08502	4.9
145.06491	9.4
145.10158	21.7
147.11682	22.0
149.09663	14.1
149.13274	9.9
151.11247	20.9
157.10114	5.4
159.11696	22.2
161.13266	3.8
163.11185	10.9
165.12729	3.8
173.13289	6.1
177.12778	12.4
179.14337	15.4
187.11172	9.9
191.10645	4.9
193.12256	5.9
195.13823	8.6
205.12189	4.9
209.11763	7.6
223.13356	6.5
229.19435	5.9
237.11258	12.4
239.18138	3.9
241.14307	5.8
257.19043	16.0
275.20105	95.4
293.21182	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	3.9
55.01878	18.6
55.05276	2.1
55.05518	27.4
57.03444	2.2
57.07082	1.9
65.03943	1.7
66.83216	1.5
67.05182	2.5
67.05511	31.9
69.03435	2.4
69.07072	19.3
72.43239	1.4
79.05501	50.2
81.03419	6.8
81.07060	30.3
83.04986	6.4
83.08623	11.8
85.49538	1.3
91.04982	2.5
91.05492	29.6
93.07050	37.8
95.04962	7.0
95.08607	23.9
97.06546	24.3
97.10176	17.5
98.30057	1.6
99.08154	1.7
105.04566	1.9
105.07042	32.2
107.04984	8.1
107.08602	83.8
108.55341	1.7
109.06512	5.1
109.08467	1.5
109.10168	13.2
111.08102	3.6
117.06989	9.3
119.08584	20.5
121.06545	2.2
121.10143	14.0
122.09769	1.4
123.08064	5.6
123.11712	4.3
125.09637	18.9
131.08582	14.3
133.06534	1.8
133.10141	22.3
135.08046	5.3
135.11690	13.4
137.05957	7.5
137.09618	3.5
143.08548	3.1
143.10706	1.9
145.10130	16.9
147.11707	13.0
149.09628	17.0
149.13274	3.1
151.11172	5.3
157.10138	3.5
159.08089	1.7
159.11682	7.9
161.09677	1.8
161.13263	4.7
163.11215	5.7
163.14830	1.7
165.09091	4.5
171.10185	2.8
171.11752	4.1
173.13307	5.9
177.12784	2.1
181.12280	2.1
183.11786	2.1
189.11223	13.4
196.93826	1.6
229.19478	2.9
239.17992	5.1
241.00217	1.5
247.20609	4.6
251.19533	1.3
257.19034	10.2
275.20081	100.0
293.21146	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	3.4
55.01876	6.4
55.05516	23.8
57.03438	3.6
57.07069	1.9
63.53342	1.4
65.03951	2.0
67.05511	45.4
69.03430	2.8
69.07073	20.8
70.12806	5.6
70.13150	1.3
71.04989	3.5
79.05499	38.4
79.35535	1.5
81.03412	5.8
81.07061	100.0
83.04967	5.6
83.08625	11.9
85.06509	2.1
91.05486	33.0
93.07050	28.6
95.04969	14.1
95.08607	28.6
97.06531	9.3
97.10156	6.1
98.20849	1.7
99.08099	1.8
103.05514	1.3
105.07033	37.2
107.04977	7.0
107.08600	29.3
109.06522	22.3
109.10171	15.2
111.08083	6.6
116.24232	1.2
117.06998	7.9
119.08589	31.8
120.66666	1.3
121.06549	7.6
121.10150	13.4
121.75380	1.2
123.08076	13.7
123.11703	6.2
125.09653	4.9
125.66852	1.5
129.07001	2.5
131.08572	13.7
133.10141	22.9
135.08072	8.5
135.11688	6.0
137.09639	8.5
143.08556	1.8
145.10135	11.1
147.11710	17.8
149.09593	11.8
149.13234	6.1
151.11208	4.0
157.10141	3.9
159.11690	9.8
161.09610	1.6
161.13228	3.8
163.11165	9.3
165.12729	4.5
171.11664	3.6
173.13286	4.6
175.11174	3.5
175.14818	1.7
177.12758	3.1
183.11684	1.4
187.11215	2.8
187.14735	1.8
189.11215	3.0
189.12881	2.0
191.14380	1.9
191.86015	1.4
193.12352	2.6
209.75839	1.3
215.17953	1.9
219.13806	1.8
223.13318	1.4
229.19566	3.1
239.17911	5.9
240.33397	1.7
245.90710	1.4
247.20630	5.1
249.75533	1.6
257.18954	11.2
265.21918	1.9
271.92395	1.5
275.20090	74.2
286.53705	1.4
293.21109	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03945	3.7
55.01878	10.8
55.05321	1.6
55.05522	19.4
56.85879	1.5
57.03444	9.4
65.03942	1.6
67.05513	25.1
69.07077	32.4
70.24346	1.5
70.91458	3.7
71.04998	2.5
79.05500	44.4
81.03425	4.8
81.07061	33.4
83.04990	4.1
83.08629	10.6
83.28003	1.5
85.06538	5.4
91.04913	2.0
91.05486	37.3
93.07055	45.4
95.04990	24.5
95.08619	22.0
97.06546	9.8
97.10172	8.3
99.08109	2.1
105.07041	37.5
107.04966	8.5
107.08600	55.3
109.06535	9.6
109.10161	9.9
111.08087	2.2
117.07027	10.9
119.08595	26.3
121.06502	5.3
121.10155	15.0
123.08057	4.2
123.11726	3.1
125.09637	6.2
129.07039	3.7
131.08569	18.0
133.10143	20.1
135.08096	9.0
135.11684	5.8
137.09650	2.9
139.11192	2.4
142.50697	1.6
143.08560	4.7
145.10138	14.6
147.07986	2.1
147.11702	14.7
149.09647	11.8
149.13254	1.7
151.11205	4.4
157.10162	4.7
159.11737	14.2
161.09624	2.6
161.13226	9.8
162.55666	1.5
163.11224	5.7
165.09142	2.2
169.10104	1.9
171.11693	3.1
173.13281	7.1
175.11183	2.3
175.14786	2.5
177.05470	12.3
177.12773	4.7
178.06314	8.1
183.11740	4.8
185.13263	13.4
187.11256	3.2
189.11188	5.1
191.07019	3.9
197.13356	2.1
201.16397	3.0
203.14366	10.0
205.12257	2.1
207.13667	1.8
219.17421	19.6
221.15405	15.0
225.14879	2.6
229.19487	3.0
233.11748	12.8
237.14905	10.0
239.15628	1.6
239.17917	9.0
247.20488	2.4
257.19022	12.2
275.20093	100.0
293.21152	37.9
302.36990	1.7
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
53.03945	4.3
53.17030	1.6
55.01873	16.7
55.05513	39.8
57.03427	2.6
57.07076	7.8
59.04990	2.2
59.79289	1.7
66.01790	1.3
67.05187	2.2
67.05510	33.4
69.03427	4.3
69.07072	18.3
69.58706	10.3
71.04998	2.9
79.05495	41.3
81.03417	6.8
81.07065	32.0
83.04567	1.7
83.04967	9.8
83.08622	20.7
85.02911	2.9
85.06550	2.1
91.05484	25.6
93.07047	29.8
95.04971	64.6
95.08613	21.2
96.64980	1.7
97.06539	15.8
97.10175	20.7
105.07037	32.0
107.04976	9.8
107.08603	60.1
109.06496	8.0
109.10180	11.5
109.10818	1.7
111.04429	3.8
111.08089	5.1
117.06999	9.4
119.08587	19.7
121.06494	5.3
121.10146	13.8
123.08099	8.2
123.11709	3.1
125.09637	18.8
126.22208	1.9
129.07037	2.9
131.08574	15.1
133.10146	21.6
135.08041	5.4
135.11690	8.6
137.05980	7.1
137.09561	2.1
137.93707	1.8
139.11176	1.7
145.06519	2.5
145.10129	14.3
147.08046	4.0
147.11688	11.4
149.09631	38.8
151.11180	4.7
153.05466	2.2
153.09131	3.0
157.10130	4.4
159.11707	10.0
161.09605	2.0
161.13196	2.4
163.11200	18.8
165.09068	2.1
171.10246	2.6
171.11635	2.5
173.05939	1.7
173.09657	2.1
173.13298	3.6
177.12755	3.8
181.04965	2.0
187.11156	6.4
189.11249	16.8
191.10733	5.7
197.13243	1.9
205.12230	4.6
209.11740	8.3
221.08150	8.7
223.13303	35.3
229.19568	5.6
237.11221	17.3
239.17967	3.8
247.20602	4.2
257.18964	12.7
275.12927	2.8
275.20068	100.0
293.13968	2.3
293.17880	2.4
293.21140	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79326	1.5
61.22465	1.6
69.85464	7.1
69.85803	2.6
90.06072	1.6
93.59985	1.5
143.01848	1.5
161.99490	2.2
173.03018	1.7
180.54907	1.6
293.06339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.67668	0.7
53.03946	4.9
55.01875	8.8
55.05515	20.7
57.03429	2.1
57.07060	2.8
59.04985	0.8
65.03930	1.7
67.05509	39.5
69.03411	2.3
69.07073	20.4
69.77548	1.5
69.77975	3.3
71.04977	2.2
79.05499	34.6
81.03427	6.4
81.07061	65.6
83.04984	6.2
83.08623	13.6
85.02897	0.9
85.06533	3.2
85.79076	0.7
91.05485	25.4
93.06486	1.8
93.07050	28.6
95.04978	10.7
95.08617	28.3
97.02898	0.9
97.06532	12.8
97.10181	8.8
99.08105	3.4
105.06326	1.1
105.07039	28.6
107.04964	9.0
107.08603	34.3
109.06523	13.6
109.10158	17.0
111.08095	4.8
111.11732	1.0
113.09659	1.2
115.05462	0.9
117.07019	7.5
118.97367	0.8
119.08589	22.4
121.06538	4.9
121.10146	16.6
123.08093	6.4
123.11697	6.4
123.94734	1.0
125.09642	9.0
129.07018	2.7
131.08578	11.0
133.06514	2.3
133.10144	20.7
135.08032	5.2
135.11696	8.3
137.09636	4.5
137.13251	2.8
141.07050	0.8
143.08542	1.8
145.06459	1.4
145.10133	10.4
147.08018	2.0
147.11703	14.4
149.09628	13.3
149.13255	3.2
151.11198	5.1
153.09160	1.0
153.12730	0.8
157.10115	2.3
159.11696	10.2
161.09607	1.2
161.13260	4.3
163.11189	10.2
163.14891	2.1
165.09132	3.2
165.12747	3.1
169.10165	2.2
171.10333	1.1
171.11757	2.9
173.09596	1.2
173.13293	6.2
175.11205	3.8
175.14874	1.4
177.12791	3.3
179.14430	1.2
183.11716	2.5
187.11142	3.9
187.14816	1.4
189.11288	4.8
189.12720	1.2
191.10600	1.1
191.14386	2.4
193.12317	1.4
194.83266	0.8
197.13223	2.2
201.12802	1.1
205.12239	1.1
205.19618	0.8
213.16385	1.8
215.14410	1.0
215.17993	2.0
221.10220	1.0
223.13326	1.8
229.19545	4.6
233.15533	1.1
233.18918	1.6
239.17970	5.5
247.20642	6.2
257.19019	13.2
265.21750	2.6
275.20081	100.0
276.20532	0.8
293.11893	1.3
293.17844	1.6
293.21149	31.8
293.28348	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	2.5
53.23575	1.9
55.01867	9.9
55.05513	96.7
57.03444	10.0
57.07073	3.2
59.04991	3.8
64.86527	2.0
65.03909	2.4
67.05505	50.8
69.03423	9.2
69.07069	23.1
71.04996	2.9
79.05495	52.9
81.03408	2.9
81.07057	52.8
83.04980	9.2
83.08620	55.1
85.06560	5.7
91.05485	42.9
93.07047	34.5
95.04961	7.0
95.08614	27.6
97.06518	5.9
97.10174	100.0
105.07034	32.0
107.04942	6.2
107.08600	61.1
109.06535	9.1
109.10177	14.7
111.08063	4.7
117.07038	16.8
119.08591	16.9
121.06521	3.0
121.10143	19.6
123.08045	2.7
123.11766	2.9
125.09634	94.8
129.06975	3.1
131.08566	27.8
133.10123	24.6
135.08060	12.5
135.11731	6.0
137.09634	4.3
139.11185	2.9
143.08650	2.9
143.10703	4.5
145.10136	11.7
147.08075	2.2
147.11679	9.7
149.09642	11.4
149.13222	3.4
151.11259	2.8
153.09180	5.8
155.10713	2.3
157.10077	4.8
159.11732	11.0
161.13208	3.8
163.11194	6.2
169.10214	2.7
170.72768	2.2
171.10197	19.9
171.11615	2.9
173.11897	2.5
173.13278	8.1
181.12236	4.2
189.11220	81.1
193.70561	2.2
197.13345	2.6
201.16377	3.5
203.22308	2.2
223.13304	2.2
229.19556	3.8
239.17949	8.8
257.19025	10.2
275.20062	89.9
293.21082	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
56.96566	87.9
60.95845	1.2
61.02923	2.3
69.03432	3.1
70.06597	1.3
70.92558	0.9
70.92886	1.9
70.98120	57.2
71.01408	1.1
71.95264	3.3
72.08154	8.8
73.02908	2.0
73.92670	1.4
74.97613	1.3
77.38860	1.1
81.03433	1.5
84.08143	6.0
84.96028	4.7
85.02905	5.9
86.09713	2.2
88.99160	11.9
91.05481	1.8
92.97507	1.1
97.02899	4.2
98.97585	71.7
100.99152	1.3
101.00885	3.1
103.00647	3.8
103.03880	1.0
108.85638	1.1
110.97574	16.5
113.00846	1.3
115.00669	1.2
115.02387	1.5
116.98619	26.1
117.01874	2.1
118.03657	1.1
119.00190	1.1
119.01913	4.1
119.04961	2.2
121.01656	5.0
121.06522	1.1
124.02885	1.0
124.95482	2.2
124.99110	2.5
125.29699	1.1
126.97058	1.8
127.03901	2.5
128.98608	22.1
130.55112	1.1
130.93297	1.0
131.00179	2.5
131.01871	1.5
133.01649	1.9
134.99635	6.9
135.03198	1.8
138.54912	1.4
139.55724	4.0
140.98625	3.2
143.00169	4.1
143.01918	4.3
145.01587	3.1
146.99675	15.6
147.04405	8.8
147.55441	1.2
148.04735	3.3
149.01186	1.2
149.02971	1.3
152.54630	2.1
152.98619	2.4
153.55450	2.7
154.96509	34.5
158.01228	1.1
158.99678	8.4
161.03017	4.8
161.09523	1.5
161.55144	6.7
162.55933	9.1
163.02704	2.5
163.03932	1.6
165.00737	5.5
166.03035	1.1
168.01825	1.0
170.96001	5.2
170.99666	3.1
172.94481	2.7
172.97589	97.6
173.01328	2.5
173.02992	2.8
174.99239	2.6
175.00986	0.9
175.02771	2.3
175.04434	1.9
175.05745	6.9
177.00732	6.9
177.04044	1.3
182.99643	1.1
184.04904	2.4
184.06284	12.9
186.99107	3.7
188.97058	5.5
189.00735	2.8
189.02374	2.1
190.98636	90.5
191.02286	4.3
193.03752	1.2
195.99283	1.3
200.97078	10.7
201.00644	4.9
202.55476	4.6
202.98738	2.9
203.02248	1.3
203.03990	4.2
204.10254	3.4
205.00238	13.9
205.01987	1.9
205.03691	2.6
205.10495	1.7
206.98074	1.5
208.99718	12.8
214.98601	19.4
215.00487	1.5
218.98131	33.5
219.01425	5.7
220.99693	3.4
223.01253	5.4
232.56523	3.4
232.99692	100.0
236.99196	9.4
237.02811	5.6
247.01282	3.5
250.26048	1.0
251.00764	53.6
251.04434	10.6
253.56940	2.8
256.01288	1.9
256.96561	4.0
260.99222	1.4
261.02890	2.0
262.95990	1.0
263.05939	2.1
268.99146	1.3
269.01886	4.6
269.05338	5.2
274.97501	18.6
275.00732	14.0
279.03961	2.6
292.20358	1.6
292.98563	7.8
293.01880	14.5
293.05545	13.9
293.20523	1.7
311.06256	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.2
61.93700	2.3
69.53125	2.2
70.35448	6.6
98.97569	6.9
101.00872	4.3
109.58443	2.5
122.01419	2.7
126.18069	2.4
128.98570	2.8
131.01866	2.9
138.63864	2.5
143.01894	7.6
155.01849	2.8
158.99641	2.8
161.02942	10.7
161.99530	2.7
173.03020	6.7
191.03975	3.0
203.03984	3.8
263.06107	2.7
293.06314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03948	1.6
55.01870	1.4
55.05512	16.4
57.03439	1.1
57.07081	6.5
59.04999	0.8
64.59033	0.6
65.03930	1.3
67.05508	25.7
69.03423	2.0
69.07071	34.8
69.28761	4.8
71.04980	2.5
71.08628	2.4
73.06535	0.6
76.50214	0.6
77.03915	0.6
79.05498	15.5
81.07059	100.0
83.04958	1.5
83.08240	0.5
83.08624	15.1
85.06546	5.3
91.05482	5.8
93.07047	26.7
95.04977	1.3
95.08611	76.4
97.06528	5.4
97.10169	8.1
98.97598	0.9
99.08078	3.7
105.07034	7.0
107.08597	30.0
109.06523	1.9
109.10161	47.0
111.08086	7.2
111.11720	5.6
113.09674	1.0
116.98680	0.6
117.07025	0.6
119.08592	7.1
121.06506	0.8
121.10143	17.9
123.08131	1.4
123.11716	28.3
125.09630	3.0
125.13276	1.4
127.11250	0.8
131.08536	1.5
133.10141	4.8
135.08020	0.7
135.10698	1.1
135.11696	15.9
137.09647	0.9
137.13274	11.1
139.11185	3.2
145.10149	0.6
146.45526	0.5
147.11707	6.1
149.09706	0.9
149.13261	19.0
151.07509	0.9
151.11230	0.8
151.14832	4.9
153.05429	0.8
153.12776	3.9
161.13231	3.5
163.14830	12.4
165.12779	1.5
165.16347	1.3
167.14297	2.5
171.11693	0.5
175.14838	1.5
177.16403	5.7
179.14246	0.6
179.18016	1.0
181.15912	1.2
189.16414	1.6
191.03433	0.9
191.17953	3.2
193.19510	0.9
195.17480	0.8
203.17973	2.1
205.19501	1.3
206.75244	0.5
207.13774	0.7
209.18954	0.9
217.19594	3.5
220.51750	0.5
221.18947	0.8
222.43344	0.5
231.21123	0.8
233.08115	0.7
233.15273	0.9
235.20584	1.1
245.22629	0.6
247.24109	1.0
249.11270	1.2
252.61856	0.6
273.18384	2.0
273.25787	8.7
291.19678	5.6
291.26840	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2685
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03948	1.5
55.01886	1.7
55.05275	1.5
55.05512	20.9
57.03437	1.5
57.07077	10.3
59.04992	4.1
65.03939	1.5
67.05511	27.0
69.03425	3.2
69.07073	51.6
69.28825	7.7
71.04999	2.3
71.08623	3.7
73.06548	1.3
77.03947	1.4
79.05502	13.9
80.41693	1.3
81.03414	1.2
81.07063	94.1
83.08623	20.7
85.06544	6.8
85.10155	1.7
91.05473	7.9
93.07049	28.7
95.04954	1.8
95.08616	100.0
97.06572	5.7
97.10168	9.6
98.21458	2.0
99.08098	6.6
105.07035	9.4
107.08603	34.5
109.06515	3.1
109.10162	44.2
111.08094	11.1
111.11727	9.1
113.09705	1.4
115.05428	1.3
119.08596	11.3
121.09335	1.9
121.10157	25.8
123.08074	2.3
123.11717	39.1
125.09620	3.0
125.13212	2.1
127.11174	1.6
133.10139	8.7
135.08076	1.5
135.11714	22.1
137.09616	1.8
137.13271	39.6
139.11188	5.8
145.10123	2.4
147.11674	10.2
149.09596	1.7
149.13272	23.9
151.07518	1.4
151.14804	5.7
153.12732	5.8
159.11696	1.3
161.13287	6.6
163.14828	17.0
166.15306	1.1
166.37624	1.1
167.10762	1.9
167.14288	3.4
175.14835	2.7
177.16393	9.5
183.60486	1.4
189.16441	5.5
191.17924	6.7
203.17924	6.9
205.19571	3.5
209.18909	1.3
217.19531	6.0
221.18970	1.7
231.21001	1.2
255.01294	1.2
273.18573	2.6
273.25812	17.7
283.70889	1.3
291.19675	8.6
291.26849	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	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03921	1.3
55.01863	2.3
55.05513	19.7
57.03428	1.1
57.07079	9.7
59.04985	2.7
65.03923	1.2
67.05505	31.8
69.03435	4.7
69.07069	43.2
71.04976	4.0
71.08615	2.7
79.05497	13.4
81.07056	100.0
83.04998	2.1
83.08617	22.0
85.06546	6.9
91.05484	8.0
93.07044	30.4
93.80309	1.0
95.04961	3.1
95.08610	78.8
97.06530	7.8
97.10172	10.2
99.08100	3.0
105.07038	16.4
107.04976	1.8
107.07880	1.9
107.08592	33.7
109.06532	4.9
109.10158	62.6
111.08079	9.8
111.11732	7.3
113.09598	1.6
117.07030	2.3
119.08593	12.4
121.06483	1.7
121.09329	1.8
121.10147	24.6
121.11028	1.2
123.08097	4.6
123.11707	76.4
125.09644	2.1
125.13291	2.6
129.06998	0.9
131.08595	2.8
133.06512	1.4
133.10138	7.6
133.81392	1.2
135.08049	4.8
135.11691	17.7
137.13258	17.0
139.11156	3.7
141.12764	1.1
143.08525	1.4
145.10121	4.0
147.08063	1.9
147.11685	9.2
149.09656	1.5
149.13263	21.6
151.07550	15.1
151.14810	4.7
153.12735	8.7
157.10167	1.3
161.09596	1.8
161.13277	5.5
163.11209	1.1
163.14819	22.3
165.12823	2.5
165.16406	2.4
167.14281	2.1
168.59058	1.1
175.11209	2.2
175.14793	3.5
177.16411	13.6
179.10689	1.2
179.17981	4.8
189.12726	4.9
189.16425	4.2
191.17932	4.0
197.11722	2.3
203.18001	5.7
205.19504	1.6
207.13785	11.2
217.19504	8.4
221.19057	1.5
233.15376	2.1
254.28827	1.5
255.17426	1.2
273.18527	3.4
273.25781	18.1
291.10034	1.5
291.16531	1.6
291.19608	19.0
291.26819	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02388	0.9
51.50552	0.8
53.03948	4.1
55.01865	1.1
55.05516	18.7
57.07058	2.3
59.04993	1.1
65.03923	1.7
67.05511	38.6
69.03424	1.2
69.06743	1.2
69.07075	17.3
69.55955	1.3
69.56358	3.1
71.04974	1.2
71.08620	1.0
73.06535	0.8
77.03938	1.3
79.05499	70.0
81.03437	1.1
81.07060	44.3
83.04975	2.0
83.08242	0.8
83.08635	9.3
85.06528	3.4
91.05488	23.9
93.07050	100.0
95.04988	4.7
95.08612	29.6
96.66061	0.8
97.00169	0.9
97.06528	2.3
97.10175	4.8
98.20791	0.8
105.04518	2.3
105.07038	18.5
107.08603	56.9
109.06512	2.3
109.10158	16.2
111.08073	2.4
111.11766	0.9
115.07560	1.1
117.07017	3.2
119.08578	14.3
121.06452	1.1
121.10147	42.4
123.08065	3.0
123.11713	4.5
125.09635	1.9
129.07007	2.3
131.08583	5.6
133.10143	15.2
135.08040	3.6
135.11699	59.3
137.09618	2.5
139.11140	1.0
143.08543	3.9
145.10132	5.5
147.08078	0.8
147.11687	9.6
149.09610	4.3
149.13271	36.4
151.07578	2.9
151.11133	1.1
157.10135	3.2
159.11690	6.5
161.09619	1.6
161.13268	7.1
163.11165	2.2
163.14822	9.6
167.10643	1.6
171.11714	3.9
173.13275	3.4
175.11214	1.1
175.14850	6.1
177.12743	3.0
177.16365	1.3
181.12177	1.4
184.11890	0.8
185.13278	3.3
189.12732	2.7
195.13708	1.7
199.14806	1.5
203.14299	2.5
207.13857	2.9
209.15338	2.1
213.16426	3.0
217.15862	1.2
217.19510	2.2
221.15324	1.2
231.17430	1.8
233.15364	1.2
235.16927	2.8
241.19490	4.3
248.08342	1.0
249.18558	4.1
249.26654	0.8
252.25780	1.0
257.62888	0.9
259.20593	9.9
273.18521	1.8
282.66599	0.9
291.10080	3.2
291.19669	7.8
291.23178	83.0
292.23557	1.0
307.10806	0.8
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	sterculynic acid
Peak:m/z	Relative Intensity
51.02369	1.2
53.03962	5.5
55.01857	2.2
55.05516	20.0
57.07065	3.7
59.04990	1.4
59.45230	0.8
64.16064	0.9
65.03924	1.7
67.05511	37.5
69.03426	1.0
69.06730	1.1
69.07074	15.3
69.25147	7.4
71.05013	1.2
73.06569	0.9
77.03923	1.8
79.05499	72.7
81.07063	49.4
83.04990	1.7
83.08633	8.0
85.06541	4.3
91.05486	30.5
91.33200	0.8
93.07050	100.0
95.04981	4.6
95.08616	29.4
97.06507	2.0
97.10174	5.6
99.08065	1.4
105.04517	2.8
105.07033	20.2
107.04929	1.8
107.08601	53.7
108.04984	1.1
109.06510	3.7
109.10166	15.6
111.08078	2.1
117.07035	4.9
119.08586	16.4
121.06531	1.1
121.10152	47.5
123.08098	5.2
123.11721	3.7
125.09624	1.6
129.07014	2.1
131.08580	8.4
133.10133	15.0
135.08052	3.9
135.11705	52.8
135.32428	0.9
137.09598	2.2
139.11194	0.9
139.68709	0.8
143.08540	2.4
145.10109	6.8
147.08032	1.6
147.11703	11.2
149.09634	4.9
149.13274	29.0
151.07559	1.3
151.11128	1.5
157.10146	2.9
158.42365	0.8
159.11737	5.0
161.09581	1.6
161.13260	8.8
163.11218	4.2
163.14854	9.2
167.10753	0.9
171.11685	3.7
173.13274	2.9
175.11208	1.9
175.14828	3.3
177.12759	3.0
177.16336	1.5
183.11749	1.2
185.13246	5.2
189.12747	3.3
191.14339	1.8
195.13730	1.4
199.14734	2.0
203.14299	2.6
207.13739	2.3
209.15263	1.2
213.12785	2.8
213.16335	1.5
217.15924	2.1
217.19325	1.3
221.15265	1.2
231.13737	2.1
231.17432	2.1
231.21065	2.0
233.15338	1.5
235.16988	2.4
241.19572	5.2
249.18533	4.0
259.20575	10.6
273.18390	1.4
291.10071	3.1
291.19653	8.1
291.23169	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03926	3.6
55.01872	7.1
55.05512	28.5
57.03438	4.0
57.07063	6.7
67.05505	22.2
68.99802	1.6
69.03432	14.2
69.07069	14.4
70.06596	2.7
71.04980	5.3
71.08249	1.9
71.08636	37.5
71.51427	1.4
78.24625	1.4
79.05499	19.3
81.03421	3.7
81.07059	23.1
83.04988	47.7
83.08612	6.5
84.04491	3.6
84.08134	3.6
85.04826	2.2
85.06078	2.8
85.06547	30.3
91.05486	23.9
93.03423	2.9
93.07043	29.5
95.04978	14.9
95.08608	27.0
97.06538	5.7
99.04467	2.9
99.08100	50.2
99.08759	2.4
101.06002	2.7
102.26648	1.9
103.05470	1.8
105.07037	37.0
107.04964	6.6
107.08599	22.3
109.06533	11.7
109.10157	13.9
111.08098	21.6
113.06003	3.0
113.09657	3.5
114.09217	1.4
115.05434	3.0
115.07564	3.2
116.07095	1.9
117.07018	8.9
119.04991	2.8
119.08585	31.4
120.08124	2.8
120.99572	4.5
121.06520	5.6
121.10156	19.9
123.04394	4.1
123.08058	9.5
123.11698	4.8
125.06083	1.7
125.09634	17.4
127.07557	5.0
128.06245	3.1
129.06996	11.6
130.06535	5.0
130.07851	1.5
131.08597	12.8
133.06491	9.6
133.10143	20.9
135.08057	11.9
135.11691	5.4
137.05963	2.2
137.09644	15.1
138.10384	2.9
139.07620	2.1
139.11162	7.2
141.07016	5.6
142.07809	2.2
143.08560	17.1
145.06532	2.5
145.10127	17.3
147.08064	9.6
147.11703	13.9
149.06000	1.9
149.09624	12.5
149.13274	3.7
151.03925	2.3
151.07564	6.2
151.11171	5.8
153.09131	18.9
153.12753	29.4
155.08582	3.1
156.09349	5.3
157.06479	4.9
157.10139	12.6
159.08055	6.6
159.09198	2.7
159.11720	9.2
161.06007	4.4
161.09625	14.1
161.13260	11.1
163.03996	2.4
163.11201	7.5
165.06987	1.5
165.09109	2.5
165.12755	2.1
166.93355	1.5
167.08592	3.0
169.06514	2.8
169.10149	2.2
169.12233	6.5
170.10918	1.5
171.08040	2.0
171.11697	16.6
171.13895	2.4
173.05984	1.8
173.09668	5.0
173.13269	6.9
175.07596	3.7
175.11195	10.7
176.14349	2.2
177.09109	2.9
177.12718	2.5
179.07086	2.8
179.10680	5.2
183.04312	1.6
183.11629	2.3
185.09753	5.3
185.13298	15.7
186.14088	5.4
187.07588	8.0
187.11200	4.1
187.14780	4.6
189.09120	5.8
189.12756	25.3
189.16394	3.1
191.14328	5.4
193.12231	2.9
195.08110	3.4
195.11633	2.0
197.13301	5.0
199.07613	2.2
199.11226	9.7
201.05492	2.4
203.08505	2.8
203.14345	4.6
207.13815	5.2
211.11060	1.6
213.09166	6.0
213.12721	2.1
213.16382	4.6
215.07065	3.2
215.10773	3.0
215.14294	9.0
217.08617	7.0
217.12207	8.5
217.15817	3.4
227.18039	3.2
229.15942	2.4
231.08041	3.5
231.13858	2.4
231.17389	3.8
233.15382	9.9
235.13329	4.0
241.08670	7.6
243.10405	2.1
245.08165	4.7
245.11697	2.3
245.19186	3.5
247.16843	2.1
248.08327	4.1
249.11197	2.0
255.17313	8.0
259.09726	3.1
273.11511	4.9
273.18494	40.7
291.10349	10.8
291.13120	11.1
291.17047	4.2
291.19580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02385	1.4
52.58614	0.6
53.03947	3.8
55.01870	1.6
55.05511	6.8
57.03444	1.1
57.07067	1.7
58.13402	0.6
59.05009	0.7
65.03940	1.4
67.05181	1.0
67.05505	13.4
69.03422	2.9
69.07067	14.2
70.46071	1.7
71.04984	2.0
74.94294	0.7
77.03928	9.4
79.05491	15.3
81.03432	4.5
81.07058	13.1
83.04998	3.5
83.08626	3.8
85.06543	1.9
86.26578	0.6
91.05486	8.8
93.07049	26.8
95.04376	1.1
95.04967	16.8
95.08611	11.7
97.06524	5.9
97.10180	1.7
105.03393	11.5
105.04469	1.6
105.07044	12.2
107.04953	6.8
107.08600	11.4
109.05816	1.0
109.06515	14.7
109.10153	6.8
111.08073	2.8
111.11714	1.9
115.05479	0.8
117.07011	2.4
119.08580	5.1
121.06521	3.6
121.10146	36.1
123.04431	12.3
123.08061	5.4
123.11696	2.8
125.09646	3.4
129.06999	1.4
131.08585	4.1
133.06493	2.9
133.10167	3.5
133.10985	0.7
134.88957	0.7
135.08049	8.3
135.11688	5.1
137.09610	1.9
139.07549	0.9
139.11200	2.0
141.06955	1.0
142.07784	0.9
143.08536	2.2
145.06479	1.3
145.10150	4.3
147.08090	1.6
147.11694	2.1
149.09627	13.3
149.13223	1.7
151.07565	4.4
153.12718	1.2
155.08591	0.9
156.09262	0.8
157.10063	3.4
159.08034	1.4
159.11707	1.2
161.09589	1.6
163.11234	0.8
167.10678	100.0
171.08005	1.0
171.11713	2.0
173.09673	1.5
173.11961	0.7
173.13203	4.3
175.11252	3.2
177.12695	1.9
185.13383	0.8
187.14795	0.9
189.12753	2.2
191.10651	3.0
191.14334	3.9
195.13725	0.7
197.13252	1.8
199.11203	1.1
207.13803	2.9
211.14822	1.0
213.16344	1.2
215.14320	2.8
217.12320	1.0
217.15863	0.8
231.17409	0.9
233.15372	9.6
255.17502	2.2
273.18469	9.8
273.78946	0.8
291.19547	23.4
291.26779	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05521	7.1
57.07061	2.6
59.04990	2.7
67.05496	6.3
69.03413	1.5
69.07040	1.4
69.15501	1.3
70.46498	4.8
71.04997	2.7
79.05510	11.5
81.07037	7.6
83.04985	2.7
83.08618	7.9
85.02905	1.9
85.06516	1.9
91.05488	7.8
93.07049	11.6
95.04972	4.6
95.08617	14.1
97.06527	4.7
105.07045	10.4
107.04974	14.0
107.08588	9.1
109.06557	9.5
109.10149	3.8
111.08095	43.5
113.09629	1.6
117.07037	2.6
119.08582	9.2
121.06514	1.9
121.10136	6.1
123.08081	32.5
125.09624	2.1
129.07011	2.2
131.08603	7.6
133.06503	2.5
133.10132	10.3
135.08054	9.1
135.11708	2.0
137.09618	3.8
143.08565	4.2
145.10123	5.1
147.08095	3.5
147.11707	6.3
149.09607	5.4
151.07562	100.0
155.10706	3.8
156.09367	1.9
156.82329	1.6
157.10124	4.5
159.08167	1.6
161.09613	4.0
163.11223	3.4
171.11702	4.0
173.09587	1.6
173.13257	5.8
174.10387	1.5
175.11191	6.1
177.09178	2.0
179.10712	3.6
181.12430	1.5
189.12755	24.4
191.14352	13.1
192.11453	3.8
193.64218	1.3
197.11739	15.4
197.13318	2.3
202.53865	1.4
207.13809	62.1
211.13272	1.8
213.16360	2.3
215.14343	3.6
217.12273	4.1
231.17410	2.2
233.15384	50.7
235.13243	1.8
273.18478	11.1
287.94870	1.5
291.19565	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
52.93207	0.9
53.03938	2.4
55.01865	4.4
55.05271	1.4
55.05509	18.9
57.03443	2.8
57.07087	6.4
59.04998	2.9
65.03940	1.7
67.05179	1.6
67.05504	18.8
68.99791	2.8
69.03428	12.9
69.07066	11.1
69.26707	2.6
69.27113	8.2
71.04991	5.4
79.05499	15.6
81.03426	2.7
81.07057	19.4
83.04987	20.7
83.08624	8.9
84.08119	2.3
85.02902	1.7
85.06546	27.6
91.05482	18.8
93.03403	2.6
93.07050	26.7
95.04981	10.5
95.08620	18.7
97.06511	5.3
98.06061	1.7
99.08109	5.6
101.06067	2.0
105.03423	1.1
105.07034	37.2
107.04967	9.0
107.08595	27.2
109.06514	12.8
109.10172	10.0
111.04417	2.5
111.08080	17.5
113.05986	2.4
113.09657	3.1
115.05460	2.0
115.07556	2.1
117.07018	5.1
119.04934	2.4
119.08588	32.1
121.02857	1.3
121.06496	8.4
121.10146	20.3
123.04420	4.9
123.08057	7.1
123.11687	2.6
125.05997	2.4
125.09633	18.1
127.07574	6.5
128.06210	4.2
129.06982	12.2
130.06525	5.7
130.07782	1.5
131.08565	13.6
132.08092	2.6
133.06511	11.0
133.10133	22.5
135.08060	9.7
135.11697	3.9
136.00960	1.3
137.05954	1.5
137.09624	11.9
138.10355	1.7
139.07581	2.2
139.11195	7.0
141.07005	3.3
142.07793	3.6
143.08557	10.5
144.09261	1.5
145.06500	1.9
145.10135	15.6
146.06042	1.7
147.08044	12.1
147.11696	18.8
149.09648	13.0
149.13257	3.0
151.03986	1.7
151.07549	4.3
151.11176	7.1
153.09108	18.0
155.08577	1.9
156.05655	1.1
156.09351	4.5
157.06505	6.3
157.10144	11.6
159.08008	4.5
159.09206	4.1
159.11707	8.2
161.06030	3.8
161.09627	12.8
161.13261	7.7
163.11194	7.6
163.14832	1.3
165.09111	2.6
165.12746	1.6
167.04924	1.8
167.08582	1.6
167.10666	1.3
169.06412	1.1
169.10103	1.6
170.05984	2.0
170.10896	1.5
171.08055	1.8
171.11710	12.7
173.09650	4.1
173.13231	7.3
175.07507	1.7
175.11214	10.1
177.09174	2.4
177.12782	3.1
179.10680	7.3
181.10056	1.2
182.10966	1.2
183.11824	1.4
185.05890	1.4
185.07288	1.2
185.09639	2.9
185.13219	7.5
186.14037	1.8
187.07619	2.0
187.11221	2.8
187.14847	4.5
188.06978	1.9
188.08463	1.5
189.09105	4.5
189.12746	29.2
189.16391	6.0
191.14285	5.9
193.12198	2.3
195.11696	2.2
197.13303	4.7
199.07520	2.3
199.11205	7.8
203.10675	2.7
203.14301	3.1
207.13815	5.6
211.14731	1.3
213.12778	1.6
213.16414	3.3
215.07076	2.0
215.14294	13.9
217.08611	2.4
217.12283	10.4
219.13875	1.2
227.07054	1.9
227.17928	2.7
229.16023	1.2
231.08139	1.9
231.13748	3.2
231.17404	4.1
233.15369	10.5
235.13266	4.0
241.08545	2.1
243.17397	1.3
245.08235	6.9
245.19043	3.5
247.16698	1.3
248.08698	1.5
255.17488	7.8
263.20053	1.4
267.27637	1.3
273.07938	1.5
273.11768	1.6
273.18497	36.6
276.08041	1.6
291.08368	6.0
291.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.99342	0.6
53.03958	3.4
55.01876	8.8
55.05513	18.3
56.45218	0.7
57.03440	4.2
57.07065	2.2
57.20551	0.7
58.06567	0.7
58.07411	0.7
59.04981	0.9
65.03937	1.5
67.05509	21.0
69.03435	3.2
69.07072	11.7
69.85360	1.6
69.85762	1.9
70.06589	2.0
71.05000	3.4
71.06907	0.8
71.08646	1.0
79.05497	31.4
81.03423	5.5
81.07060	49.6
83.04989	4.2
83.08628	10.0
85.02901	0.8
85.06540	1.8
88.07619	2.6
89.07966	1.0
91.05486	22.3
93.06487	1.1
93.07052	20.7
95.04384	1.0
95.04973	17.5
95.08606	16.9
97.06522	3.9
97.10166	8.3
98.20860	1.3
99.04465	0.8
99.08051	1.0
102.09162	2.1
103.05471	2.3
103.09526	1.0
105.03368	1.3
105.07036	19.1
107.04964	10.3
107.08596	14.2
109.06519	11.0
109.10157	7.2
111.04441	2.0
111.08090	6.5
115.05463	2.1
116.06238	1.0
117.07020	13.7
118.28300	0.7
119.04948	1.7
119.08588	24.6
121.06512	13.6
121.10136	7.2
123.04399	1.3
123.08074	20.0
123.11709	1.6
125.09624	7.3
128.06223	1.3
129.07025	5.6
130.07803	1.0
131.08575	12.4
133.06523	5.1
133.10146	8.1
135.08060	13.3
135.11691	4.3
137.09628	4.4
141.06966	0.9
142.07785	1.3
143.08571	7.0
145.06445	1.1
145.10126	15.5
147.08040	15.3
147.11697	4.8
149.09642	7.9
149.13274	1.1
151.07549	15.3
151.11154	1.1
153.09117	2.7
153.12737	0.8
155.08588	1.2
155.10641	0.9
157.06499	0.8
157.10139	6.3
159.08078	3.1
159.11681	4.3
161.09619	7.8
161.13280	1.1
163.11200	9.5
165.09103	3.8
169.10115	1.3
171.10303	1.0
171.11674	3.8
173.09679	1.5
173.13242	2.2
175.11186	3.9
177.09103	1.3
177.12753	2.1
179.10632	1.3
181.10059	1.0
185.09821	0.8
185.13289	2.4
187.11182	2.1
187.14825	0.8
189.11208	3.3
189.12770	4.9
191.10654	0.8
191.14287	2.3
193.12271	3.0
195.11734	1.4
197.11731	3.9
197.13354	1.4
199.11249	1.0
203.14394	1.3
205.12161	1.3
207.02017	0.6
207.13815	9.9
209.13351	0.8
213.12723	1.7
213.16309	1.2
215.14377	0.7
217.15869	2.2
221.11678	1.5
223.13281	6.2
227.18002	1.9
228.23315	1.4
229.23561	10.6
231.13867	0.9
231.17448	1.1
233.15443	4.5
237.16399	1.1
245.19067	2.3
249.14819	5.4
255.17395	4.4
273.18515	30.9
273.26379	1.1
291.19553	100.0
291.27170	25.0
292.20093	0.9
312.33960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05492	3.9
57.07062	2.2
59.04990	2.4
59.36678	1.3
67.05494	4.6
69.03419	2.5
69.07059	3.0
70.91515	3.1
70.91869	1.6
71.04980	4.7
77.53699	1.1
79.05507	6.0
79.09923	1.2
81.07072	6.8
83.04967	1.9
83.08601	4.1
85.02904	1.5
85.06526	2.8
91.05478	3.7
93.07042	9.6
95.04954	3.8
95.08608	15.1
97.06513	4.8
105.07006	8.4
107.04949	7.0
107.08598	7.8
109.06525	7.0
109.10165	3.1
111.08088	24.2
113.09600	1.3
117.07014	2.9
119.08585	9.6
121.06531	2.8
121.10135	5.0
123.08062	34.1
125.09663	1.5
131.08580	5.2
133.06458	3.9
133.10179	6.5
135.08067	8.5
135.11678	4.3
136.01979	1.3
136.90378	1.2
137.09601	5.7
142.07730	1.4
143.08574	2.4
145.10130	17.2
147.08029	2.6
147.11661	8.5
149.09599	4.9
151.07542	100.0
155.10669	2.4
157.10121	5.1
159.08096	1.5
159.11699	4.7
161.09622	5.1
161.13281	2.6
163.11153	3.8
171.08290	1.3
171.11687	5.1
173.09644	1.9
173.13284	7.8
175.11179	4.2
175.64671	1.3
177.09204	1.3
177.12764	2.8
179.10681	6.2
181.12186	1.3
187.11139	6.3
189.12737	27.6
191.10693	1.4
191.14302	6.9
192.11484	3.1
197.11732	19.9
197.13315	2.1
203.14345	2.8
207.13799	74.2
211.14874	2.4
213.16386	3.8
215.14391	8.2
217.12256	3.2
231.17381	4.2
233.15352	23.0
255.17424	3.5
273.18524	12.4
291.19537	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	6.6
55.01875	11.6
55.05272	3.4
55.05514	41.4
57.03438	3.8
67.05506	29.8
69.03419	8.4
69.07060	8.3
70.80844	2.2
70.81194	5.7
71.05000	4.7
79.05080	3.7
79.05495	48.8
81.03426	2.7
81.07060	59.0
83.04951	7.8
83.08620	17.5
91.05489	56.8
93.07042	27.8
95.04960	14.5
95.08608	15.2
97.06512	3.6
97.10172	25.5
103.05469	2.3
105.03391	6.0
105.07032	27.2
107.04937	15.7
107.08598	24.1
109.06507	7.6
109.10189	11.8
111.08095	7.5
113.09218	2.0
115.05460	3.6
116.06238	2.8
116.56192	2.2
117.07025	26.1
119.04945	2.5
119.08585	68.6
121.06470	12.9
121.10143	9.1
123.08079	14.3
125.09644	21.1
128.06213	2.6
129.07033	10.7
131.08565	28.5
132.05728	2.2
133.06522	5.8
133.10095	11.2
135.08052	23.3
135.11690	4.4
143.08565	17.1
145.10124	32.2
147.08044	45.0
147.11707	4.5
149.09673	8.3
149.13315	2.5
151.07553	26.1
157.10132	9.0
159.08067	3.9
159.11693	7.9
161.09605	9.3
161.13261	2.9
163.11200	5.9
169.10173	2.9
171.10324	3.2
171.11703	9.9
173.09729	2.5
173.13339	3.2
175.11182	6.0
176.96207	2.2
185.13278	5.9
189.11201	15.4
189.12766	7.4
197.11722	5.4
199.11256	2.5
199.14912	2.7
200.07912	2.1
207.13794	14.0
213.12677	3.2
223.13335	3.3
227.18007	2.4
231.13623	3.7
237.16406	2.6
245.18953	6.7
249.14880	7.2
255.17459	11.2
273.18488	100.0
291.19543	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.75084	2.1
53.03949	5.9
55.01871	6.1
55.05271	3.7
55.05515	41.2
57.03461	2.4
57.07073	9.7
59.04990	2.6
59.47962	2.0
65.03954	2.5
67.05508	46.3
67.05848	4.6
69.03432	33.7
69.07069	27.3
70.11285	6.1
70.11700	4.6
71.04990	10.0
79.05489	28.1
81.03418	8.3
81.07059	66.8
82.04185	3.1
83.04983	43.6
83.08638	13.7
84.04505	3.3
85.06548	45.9
91.05484	33.7
93.07043	43.8
95.04975	15.4
95.08614	65.7
96.05745	5.5
97.06532	13.4
97.10185	6.4
98.21429	2.4
99.04451	7.2
99.08093	29.7
101.06026	4.8
105.07040	43.2
107.04948	6.3
107.08597	46.8
109.02879	4.6
109.06518	16.5
109.10163	49.8
111.08086	16.8
111.11713	4.1
113.09641	19.3
115.05388	3.8
117.07026	9.5
119.08577	38.6
121.06522	11.6
121.10142	41.9
123.08060	13.4
123.11707	26.2
125.09644	28.8
128.06268	3.8
129.07022	7.9
130.07779	2.9
131.08569	20.4
133.06494	3.7
133.10136	43.2
135.08060	71.6
135.11681	18.0
137.05991	2.9
137.09630	33.8
137.13254	6.4
138.10402	7.9
139.07544	8.2
139.11160	11.2
141.06999	3.2
142.07756	5.1
143.08559	14.9
145.06520	2.5
145.10120	23.0
146.07361	3.8
147.08008	11.9
147.11723	15.0
149.09621	23.5
149.13245	13.6
151.07564	10.2
151.11191	5.4
153.09125	15.4
155.08524	2.5
155.10683	6.6
156.09309	11.4
157.10115	17.7
158.07382	2.8
159.08060	29.3
159.11684	14.3
160.08878	3.2
161.09621	41.4
161.13260	13.3
163.11145	5.5
163.14842	5.3
165.09111	22.1
169.10117	4.0
170.10904	7.2
171.08057	5.7
171.11693	22.9
172.08830	3.1
173.09676	13.8
173.13228	13.2
174.10416	3.7
175.07581	2.8
175.11217	13.5
175.14836	8.5
177.09103	3.7
177.12762	5.2
179.10680	3.5
181.10153	3.6
183.11729	4.3
185.09547	11.5
185.13295	17.6
187.11247	6.3
187.14839	15.2
189.09151	6.3
189.12766	36.4
191.14305	20.8
195.11752	4.9
197.13300	8.7
199.11235	15.7
199.14760	2.9
200.11951	4.2
201.12726	6.8
203.14343	9.9
207.11896	2.9
207.13768	3.9
213.12758	29.5
213.16483	3.1
215.14330	20.0
217.12297	7.4
217.19469	3.1
227.17978	5.3
231.13687	5.4
231.17548	2.7
233.15399	9.5
237.16255	5.6
245.19066	16.4
248.08337	3.9
249.11444	2.8
255.17485	22.7
263.20200	3.4
273.07263	2.4
273.18500	75.8
273.25787	2.5
291.10236	10.5
291.19559	100.0
291.26660	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	291.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.0
53.03942	2.4
55.01873	14.4
55.05280	1.9
55.05519	27.9
56.05035	2.0
57.03431	1.3
59.05006	2.9
61.01141	1.5
67.05511	22.1
69.03429	5.2
69.07085	12.5
69.66746	7.8
70.06584	2.3
71.04997	15.7
72.08142	5.8
73.02891	1.6
76.87712	1.4
79.05505	18.9
81.03413	2.9
81.07060	26.1
83.04987	14.7
83.08624	23.2
84.04498	2.2
84.08147	3.3
85.02902	3.5
85.06551	9.7
86.54987	1.4
87.04477	10.9
91.05481	16.9
93.07055	25.5
95.04951	8.9
95.08606	16.3
97.06540	19.2
99.04462	3.0
101.06028	16.7
104.05338	1.9
105.07041	11.8
107.04964	13.3
107.08592	17.7
109.06525	8.5
109.10172	7.2
110.07109	2.3
111.04449	12.8
111.08109	9.8
113.06033	2.0
113.09641	7.3
114.09176	2.3
115.03954	5.8
115.05428	1.8
117.07021	5.9
117.19819	1.5
118.06560	2.8
119.04974	4.5
119.08620	10.5
120.08107	3.4
121.06522	12.2
121.10148	8.9
123.04427	4.3
123.08109	4.1
123.11713	2.2
125.06002	14.7
125.09637	62.4
127.07602	2.4
129.05482	15.7
129.06973	2.6
129.09129	4.1
130.06561	10.7
131.08585	11.5
132.08084	4.2
133.10138	3.3
135.08063	13.3
135.11697	3.2
137.05991	6.5
137.09613	3.4
139.07539	8.2
141.06972	2.7
143.07024	2.7
143.08565	2.2
144.08118	1.8
144.09285	1.8
145.06491	2.2
145.10133	7.3
146.06017	4.2
147.04419	3.7
147.06519	4.7
147.08054	3.5
147.11725	7.5
149.05998	18.2
149.09602	3.9
150.05901	2.8
151.07544	4.2
153.09106	6.7
155.07024	2.9
155.08707	1.8
155.10684	2.3
157.10103	4.8
159.08029	2.2
159.09180	6.5
159.11703	8.1
160.07677	1.7
161.09682	1.9
161.13356	1.8
163.07639	3.7
163.11101	1.9
165.09123	1.6
167.07083	7.5
167.10648	2.0
170.06007	3.7
171.11746	2.9
173.13272	16.3
175.11082	2.2
177.12793	4.3
179.10631	4.2
181.08739	1.9
183.11743	5.8
184.07581	2.6
185.07155	4.3
187.14795	1.7
188.07083	7.3
189.12766	5.3
191.14342	11.2
200.07062	1.6
201.10301	2.1
201.12781	10.2
207.13802	3.3
209.15373	4.3
215.14380	3.5
219.13795	21.3
227.08249	4.5
231.13922	1.8
231.17567	2.6
233.15500	6.2
234.92094	1.6
237.14870	100.0
245.09418	11.4
255.15849	23.1
273.16977	5.9
273.19107	2.0
291.10049	5.0
291.13260	4.4
291.19794	17.3
301.16290	1.4
305.97775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03934	0.6
55.01877	3.7
55.05512	5.0
56.96552	0.7
57.03455	0.7
60.04528	0.5
61.01138	0.6
62.06095	0.8
65.03951	1.5
67.05518	5.0
68.99783	1.7
69.03419	1.5
69.07076	6.1
70.06574	1.0
70.81984	1.3
71.04990	2.1
72.04511	0.7
72.08155	0.5
79.05507	3.7
81.03426	1.2
81.07056	5.1
83.04986	4.2
83.08624	2.4
84.04505	1.7
84.08138	2.4
85.02911	5.3
85.04848	0.7
85.06533	2.1
86.09715	1.7
87.00822	0.6
87.04471	1.5
91.05485	5.0
93.03423	0.7
93.07054	3.8
95.04983	3.8
95.08617	3.0
95.74505	0.5
97.02899	1.3
97.06526	3.3
98.97601	1.2
99.04462	0.8
101.06014	1.5
103.05472	0.6
105.03386	0.6
105.07036	2.3
107.04951	2.5
107.08601	2.4
109.02892	1.4
109.06557	1.0
109.10155	1.1
110.97594	1.2
111.04444	4.7
111.08099	2.0
113.05998	0.5
115.03924	0.7
115.05482	1.8
116.98684	0.5
117.06996	1.5
118.06540	2.1
119.04961	5.0
119.08556	1.5
120.08119	0.6
121.06508	1.4
121.10149	1.3
123.04434	61.3
123.08064	1.1
125.06003	1.6
125.09637	5.5
127.03923	1.8
127.07548	0.7
128.98645	1.0
129.05461	1.7
129.06978	0.7
129.09131	0.6
129.12743	0.9
130.05595	1.0
130.06535	14.2
131.08556	2.1
132.08093	5.4
133.02863	1.9
133.06500	1.7
135.04460	0.8
135.08075	1.9
135.11693	0.7
137.02330	1.2
137.05969	1.8
137.09618	0.6
139.03912	100.0
141.12759	0.7
142.06566	1.8
143.04916	2.4
144.08092	0.8
145.10150	1.4
146.06042	2.4
147.03258	1.0
147.04425	19.6
149.05972	2.9
151.03922	2.2
151.07578	1.5
153.05499	0.7
153.09174	0.8
157.06444	0.8
157.07602	0.8
157.10176	0.7
158.08409	1.1
159.09189	12.8
159.11674	1.0
160.07620	0.8
161.05995	7.9
163.03923	1.4
163.07599	1.3
165.05498	13.8
167.07114	1.6
169.05019	1.4
170.05997	5.1
170.99596	0.6
173.13264	2.4
177.05469	1.0
179.07079	3.0
181.05106	0.8
183.11728	0.9
184.07523	2.6
185.07146	5.1
187.08707	0.6
188.07076	5.6
189.00763	1.5
189.05495	1.7
191.14325	1.3
195.13875	1.0
195.57939	0.9
199.90970	0.5
200.07071	1.3
201.10199	2.1
201.12753	1.9
202.07722	0.6
207.06519	6.4
211.15331	1.6
212.13637	1.0
219.13831	3.6
227.08176	6.7
229.16321	3.1
231.08000	0.9
237.14870	14.2
245.09239	14.8
245.19516	0.6
248.08513	0.7
249.07664	1.3
255.07928	1.0
255.15781	2.7
273.08377	2.4
273.11707	0.6
273.16818	0.6
273.18994	7.0
291.08490	8.4
291.12961	0.7
291.19617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
50.29770	0.9
68.99786	1.0
70.32864	3.0
87.00842	1.2
88.03999	2.0
99.35341	0.9
112.78595	1.0
115.05461	4.2
116.04908	1.0
117.05799	1.2
118.06538	12.8
130.06525	97.2
132.08087	34.0
142.06512	12.6
143.07327	1.9
144.08046	5.5
146.06003	17.1
152.78908	1.0
156.02948	2.4
156.08063	5.3
157.07634	5.2
158.06075	1.8
158.08424	3.4
159.09175	93.6
160.07567	6.8
167.06102	2.7
169.07611	2.8
170.06010	32.6
171.09157	1.0
172.07635	1.5
174.03856	1.5
181.07599	2.3
182.05975	1.2
183.09190	5.6
184.07568	16.1
185.07106	40.6
187.08665	3.4
188.07065	40.0
188.08801	1.5
199.08638	2.1
200.07079	9.5
201.10220	13.4
205.09665	1.2
209.07056	1.5
210.05638	1.1
227.08151	46.9
228.08379	1.1
229.09804	3.7
231.07645	3.6
245.09222	100.0
255.07629	4.3
273.08694	13.7
291.09665	4.9
291.16916	2.1
311.90436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38561	0.4
55.05506	0.5
56.05032	0.6
61.01151	14.6
62.05132	0.3
64.53506	0.4
67.05509	0.5
69.07112	0.6
69.55042	1.9
70.06603	1.5
71.05004	0.9
72.04522	4.1
73.82741	0.3
79.05505	0.6
81.07072	1.0
83.04974	0.4
83.08600	0.5
84.04510	0.7
84.08147	84.0
85.02876	0.5
85.06558	0.4
86.06080	0.6
86.09217	0.4
86.09707	1.8
91.05482	0.8
93.07056	1.0
98.21496	0.7
98.24296	0.4
105.06983	0.4
107.08616	0.7
110.80108	0.3
111.08043	0.4
117.07037	0.5
125.09612	1.0
130.06535	3.1
131.08636	0.5
132.06589	4.9
132.08432	100.0
135.08095	0.6
137.05774	0.4
147.04401	0.8
159.09195	3.0
170.06032	0.8
173.13304	0.8
184.07695	0.6
185.07140	1.2
188.07077	1.0
198.11235	0.9
201.12805	0.5
215.13933	1.6
227.08151	1.6
228.10370	0.5
229.16145	0.5
231.13477	0.7
237.14792	1.8
243.17056	0.6
245.09259	2.6
246.11685	0.6
247.17346	0.6
273.12338	1.5
273.18842	0.4
273.82993	0.4
291.10263	0.8
291.13489	2.0
291.17371	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
56.96569	92.7
57.03430	4.8
61.02922	3.6
69.03425	5.5
70.06593	5.0
70.55465	6.9
70.98117	5.6
72.08133	5.4
72.95985	1.8
73.02899	5.4
74.97611	3.9
81.03414	3.4
84.08141	12.0
84.96042	12.4
85.01420	2.2
85.02922	9.5
86.09705	13.2
86.97626	2.3
87.10024	7.7
97.02899	6.0
98.97590	100.0
100.99144	9.5
103.02422	8.0
110.96949	2.7
110.97583	28.4
112.99156	6.0
113.00842	2.3
115.00681	2.0
115.67025	2.8
116.98621	32.3
119.00169	2.8
119.01919	4.7
124.67567	1.9
124.99113	21.8
126.09163	2.3
126.96994	3.6
127.00669	3.6
127.03850	3.1
128.98608	23.0
131.00163	7.6
131.01895	6.2
132.98056	2.0
133.03493	2.7
134.54996	1.8
134.99628	4.8
136.07507	2.0
137.05962	3.7
138.05484	2.0
139.00726	1.8
140.98593	7.8
141.02177	2.0
143.00192	28.4
143.01929	2.9
144.10197	4.5
144.98062	7.6
145.01711	6.8
145.04935	2.4
146.99641	9.8
147.01422	3.0
147.03355	4.1
147.04343	4.8
148.35841	2.2
149.01241	9.9
151.00778	2.0
152.98584	6.4
155.01884	2.3
156.98071	7.0
157.03450	6.4
157.13396	5.1
158.13737	5.2
158.99666	28.9
159.75122	1.9
161.01231	15.6
161.02946	4.6
162.99120	5.3
163.02707	2.6
163.03981	3.4
165.00676	3.8
167.02240	2.6
169.01715	4.4
170.99637	16.9
171.03316	2.5
172.09673	4.5
172.97571	4.4
173.01228	3.4
173.02951	5.9
174.99139	18.3
175.00552	2.8
175.02464	2.2
175.04509	2.6
177.00731	21.9
181.00218	2.1
185.01227	6.6
185.02803	3.4
186.13237	4.8
186.55205	2.9
186.99226	3.1
187.02750	3.6
189.00784	11.8
189.02296	3.3
189.04315	3.3
190.98665	11.2
191.02161	2.9
191.03864	2.8
191.54143	5.8
193.00162	11.6
195.55797	3.1
200.04404	6.8
200.54570	12.1
201.00743	6.4
201.02420	2.1
201.04994	3.0
201.53783	2.0
203.02309	3.4
203.04030	3.8
205.00208	5.5
208.99638	12.4
213.00635	6.3
215.02312	2.2
217.00269	4.9
219.01730	16.4
219.03613	3.1
223.01237	5.0
229.02074	3.7
230.98212	3.0
231.01785	7.0
231.05424	2.9
233.03352	2.2
235.01202	4.6
237.00716	3.9
237.02798	15.6
248.99117	4.2
249.02771	10.7
255.01733	7.3
261.02814	4.5
267.03879	3.4
273.03055	10.0
273.05447	2.0
279.04187	3.0
291.00278	5.3
291.03891	16.2
291.08130	26.8
309.04935	15.8
309.08575	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	290.2115
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01875	0.9
55.05521	0.7
57.03431	0.1
57.07081	0.6
58.86934	0.1
59.04991	0.2
67.05495	0.2
68.99803	0.1
69.06738	0.1
69.07076	2.2
70.06602	1.2
70.69015	0.2
71.19052	0.1
73.02924	2.5
73.06561	1.4
79.05492	0.2
81.03412	0.2
81.07041	0.4
83.78687	0.1
84.04512	2.4
84.08144	0.2
85.02902	0.4
87.00825	0.1
88.07159	0.1
88.07643	1.2
91.05484	0.3
93.07034	0.3
95.04940	0.1
95.08593	0.3
97.06516	0.3
101.05994	0.2
103.03947	0.3
105.07033	0.3
106.08653	0.2
107.08616	0.2
109.06528	0.1
110.03493	0.1
114.09159	0.4
117.07006	0.1
118.06551	9.0
119.07319	0.3
119.08582	0.2
120.08097	0.2
122.10491	0.2
126.05513	0.5
129.01846	0.1
130.06583	0.1
132.08101	3.1
132.10216	1.6
133.08885	1.8
133.09964	0.2
134.09642	0.8
135.08075	0.1
146.09647	3.0
147.10429	0.3
150.11259	1.3
160.11266	0.4
161.11969	0.3
168.06551	0.2
176.14357	40.5
177.14734	0.1
189.03958	0.2
202.15933	0.8
214.21649	0.2
232.13351	0.8
233.13972	0.3
234.14891	0.2
244.21097	0.1
246.14928	0.9
246.24272	0.4
247.15680	0.5
260.16528	0.6
290.21164	100.0
290.26794	7.7
291.21872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2117
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.05497	1.1
56.05009	0.3
57.03424	0.4
57.07082	3.6
58.92516	0.3
59.04992	0.7
61.02925	0.5
67.05493	1.0
68.99783	0.4
69.03423	0.5
69.07072	4.2
70.06599	6.7
71.04964	0.4
71.08617	1.0
72.08114	0.3
73.02902	0.3
73.06567	2.4
77.33342	0.3
79.05482	0.8
81.03407	0.7
81.07034	1.4
83.08615	0.5
84.04512	10.0
84.08121	0.6
84.57326	0.3
85.02914	1.6
85.10183	0.8
87.00816	0.6
88.07639	6.7
91.05441	0.7
93.07041	0.7
95.04976	0.4
95.08584	1.4
97.02880	0.4
97.06520	0.4
98.06059	0.3
102.09185	0.6
103.03951	1.6
104.81388	0.3
105.01850	0.4
105.07034	0.4
106.08679	1.0
107.08588	0.6
109.10162	0.9
114.09182	2.4
118.06554	12.6
118.08672	1.0
119.07308	0.4
119.08605	0.3
120.08076	0.4
122.10426	0.3
123.11733	0.3
126.05534	2.1
129.01828	0.8
131.08548	0.3
132.08113	5.3
132.10208	10.6
133.08859	2.8
133.55734	0.3
134.09645	0.8
136.72685	0.3
137.13243	0.4
145.03398	0.3
146.09651	4.2
147.02911	0.5
147.10403	0.5
148.12045	0.3
150.11272	8.1
153.05328	0.3
160.11252	0.4
161.11926	0.3
163.14809	0.3
168.06587	0.6
176.14360	71.0
177.14737	0.3
189.03954	0.5
214.21683	0.5
228.23253	0.4
229.42294	0.3
246.24309	3.3
272.07553	0.4
285.09915	0.3
290.08759	2.1
290.21185	100.0
290.26788	45.1
291.21472	0.7
291.27045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	100.0
58.99861	1.0
60.04538	0.8
68.79792	0.7
69.78276	3.4
70.06601	1.1
71.95272	3.4
72.96059	0.7
74.97619	1.8
84.08153	2.3
84.96038	16.4
84.96542	1.2
85.01413	6.7
97.02899	1.0
98.97589	83.2
101.00893	2.9
102.97009	0.8
103.02457	11.9
105.00206	1.0
106.98113	1.7
108.99687	1.0
110.97607	2.4
112.99126	5.3
113.00860	3.9
115.00723	3.0
116.98626	34.1
117.31816	0.7
119.01939	4.3
121.03489	4.5
123.01196	0.7
124.99126	52.0
126.97075	1.6
127.00705	4.1
128.98642	2.1
129.00386	2.2
129.03972	2.9
131.00247	3.9
131.01910	7.2
133.01743	0.9
134.99683	8.0
139.00677	2.2
139.02373	1.2
140.98631	2.2
141.02235	5.4
143.00174	72.2
143.01974	3.3
144.98103	3.8
145.01700	1.9
146.99628	0.8
147.01419	5.1
147.05080	2.9
148.99147	1.2
149.01332	0.8
149.03023	1.2
151.00723	4.3
152.98589	15.3
155.01915	1.4
156.96632	1.1
156.98022	0.8
157.01747	2.8
157.03476	10.3
158.99704	3.8
159.03290	4.5
159.04961	0.7
161.01234	33.5
161.02953	5.1
162.99217	2.1
165.02339	0.9
166.01779	1.6
167.00166	7.4
167.01567	1.1
168.98152	2.3
169.01744	10.3
170.99666	40.9
173.01540	1.3
173.02995	8.1
174.97786	3.7
174.99077	1.3
175.04562	2.8
176.98599	0.9
177.00793	2.7
179.02325	2.0
182.99738	1.4
183.01347	1.4
185.01245	32.1
185.02892	2.2
186.99211	6.7
187.02785	6.2
188.97177	1.0
189.00746	31.5
189.02444	2.4
192.98705	1.6
193.00250	0.9
193.02011	1.0
194.99675	6.0
198.01357	1.7
198.97719	0.7
199.00906	0.9
200.99173	1.2
201.00768	2.6
201.02492	4.0
202.98706	1.0
203.02287	19.1
203.03944	1.4
204.02243	0.8
204.97043	0.7
205.00244	12.5
206.98227	0.8
207.01750	4.2
211.00948	0.9
212.97507	0.9
213.00722	22.9
213.02759	1.4
219.01836	1.8
219.03589	3.2
221.03403	2.7
221.05290	1.5
223.01233	5.6
223.53024	0.9
227.02371	0.8
229.00287	1.1
229.02017	8.0
229.03941	0.8
229.08751	0.8
230.98389	3.7
231.01756	35.2
237.03018	0.9
239.06151	1.5
241.97173	2.0
243.96619	1.5
244.98470	0.8
245.03284	4.1
245.46770	0.9
247.01189	4.2
248.99187	4.4
249.02737	34.9
250.97473	1.6
251.47351	1.2
254.03586	1.0
255.96753	1.9
256.96680	1.4
262.99222	0.9
263.04129	3.3
264.97153	11.2
265.47296	4.1
265.97147	3.3
267.00308	5.1
267.03909	21.0
267.97397	1.0
272.94659	1.2
272.98068	1.5
273.00443	1.8
273.03156	11.4
273.97742	2.2
274.47711	1.5
274.97437	1.0
276.48160	2.2
276.98148	2.4
285.04907	9.7
285.48624	1.0
290.98645	2.5
291.03925	62.1
296.96277	1.0
309.04941	62.6
314.95496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1752
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05505	1.6
56.05040	4.0
56.96560	1.1
57.07073	3.3
58.06593	2.3
60.04519	0.6
65.03935	1.2
67.05187	0.8
67.05508	9.2
69.07080	3.6
69.53268	2.8
70.06596	0.9
71.08631	1.3
74.06089	3.8
76.74316	0.6
79.05489	2.2
81.07049	2.2
82.06586	3.2
83.08630	0.7
84.04533	0.7
88.07637	12.2
91.05480	1.2
93.03411	2.6
93.07068	3.4
95.08619	2.0
97.06523	2.0
98.21486	1.1
105.07030	0.9
107.08585	2.4
109.10143	1.0
110.06052	31.4
111.04443	6.5
118.08655	1.9
122.08161	2.3
123.04443	1.5
127.03942	0.6
133.10141	0.8
135.11700	3.9
137.06044	0.9
138.05508	100.0
139.05899	0.5
149.47145	0.6
157.49681	0.5
163.07558	1.1
164.35635	0.5
182.10414	0.6
187.14772	0.5
197.12888	1.2
212.15195	1.6
226.11089	2.4
228.23250	0.5
230.16209	3.1
242.24811	14.7
244.12201	1.0
248.17506	0.8
267.08963	0.9
272.25827	0.9
290.17691	8.0
290.26913	43.1
291.19812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05511	4.3
56.05019	3.4
56.05264	0.7
56.96555	1.0
60.04512	2.4
61.02908	0.8
62.05795	1.1
62.06092	17.3
67.05509	5.7
69.03421	1.3
69.07073	3.5
69.65292	2.4
69.65706	2.0
70.06600	8.9
71.04974	3.1
72.04520	8.8
72.08144	3.4
72.08504	0.7
74.06082	2.7
78.14864	0.7
79.05503	6.3
80.05019	2.5
81.02971	0.6
81.03415	4.3
81.07063	9.6
82.06570	2.7
83.04994	3.8
83.08594	2.3
84.04511	16.7
84.08133	4.1
85.02908	4.1
85.05296	1.0
85.06513	0.8
86.06062	1.4
86.09695	3.4
87.00818	0.9
88.03975	0.8
88.07639	3.8
91.05511	4.3
93.07055	6.7
94.06561	2.1
95.04954	2.5
95.06088	0.9
95.08636	3.9
95.65444	0.7
96.04484	1.1
96.08134	1.7
97.02859	1.5
97.06533	3.1
97.10160	0.9
98.06067	6.4
98.09700	1.0
98.97568	0.9
99.61951	0.8
100.07619	5.5
103.03938	2.4
105.07009	3.4
106.07301	0.9
107.04944	0.8
107.08593	4.3
109.10163	1.6
111.04395	0.9
111.08076	1.7
112.07597	1.5
114.05550	1.5
114.09151	1.8
116.07133	5.2
116.98613	1.0
118.96734	1.4
119.08569	1.6
120.08135	3.7
121.06552	1.3
121.10155	2.6
123.04429	5.9
123.08076	0.8
124.07621	1.3
125.09565	0.9
126.05524	3.1
127.03925	1.2
129.01855	1.0
129.10216	1.0
130.06482	1.9
131.08524	1.7
133.10129	2.3
134.30794	0.7
135.11649	2.0
138.12778	3.0
139.03899	9.2
146.11761	1.4
147.04381	1.9
147.08057	0.9
147.11714	1.0
149.09578	2.2
157.10110	1.7
159.09155	1.4
159.11566	0.8
165.05490	1.0
165.12752	1.2
168.06528	1.5
174.05576	0.9
182.15419	4.1
184.07610	0.8
185.07184	0.9
186.15001	1.6
188.07094	1.0
192.13873	1.7
193.12288	3.5
195.07768	2.4
198.14894	0.9
204.08456	0.9
207.06532	1.1
208.16931	1.0
210.14903	28.7
211.13306	13.3
226.18066	2.7
227.08096	1.1
228.15964	59.1
236.16498	1.7
244.19215	4.4
245.09325	1.1
246.17030	15.9
254.17572	8.1
272.18588	100.0
290.08737	3.3
290.19641	1.6
309.75281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1712
Annotation	Leu-Ala-Ser
Peak:m/z	Relative Intensity
55.01871	0.5
56.05019	0.6
56.96567	8.8
57.03437	0.6
57.97756	0.4
60.04523	1.2
60.95829	0.6
61.02925	0.5
69.03432	1.2
69.07069	4.7
69.64146	0.9
69.64554	1.8
70.06602	1.2
70.98128	1.8
71.95261	0.7
72.08154	1.8
73.02922	1.4
74.06087	0.6
78.45753	0.4
81.03416	0.8
83.99895	0.4
84.04510	0.8
84.08136	1.0
84.31402	0.4
84.96044	0.9
85.02934	2.2
86.09709	100.0
88.04011	0.5
89.07158	1.3
97.02908	1.0
98.97588	11.1
99.04470	0.6
100.99163	0.5
101.00881	2.0
101.07099	0.5
102.00961	1.9
103.00631	0.4
106.05025	1.4
107.00153	0.5
109.02884	0.7
110.97585	2.5
111.49485	0.4
114.09151	1.0
115.02470	0.4
116.02529	0.7
116.86169	0.4
116.98639	4.3
117.53667	0.4
119.01903	3.8
120.02013	4.4
121.01693	0.7
124.99144	0.7
127.03937	0.7
128.10759	0.4
128.98618	2.6
129.10202	0.7
131.01915	1.2
132.02010	0.8
132.10139	0.6
133.01642	0.7
133.03499	1.5
134.03607	1.4
134.99620	0.9
137.02850	0.7
137.05960	0.8
143.00186	0.9
143.01883	1.1
144.02016	1.0
144.98058	0.6
145.01631	0.5
145.03476	0.7
145.99792	0.5
146.03558	0.7
146.99619	1.5
147.01447	0.5
147.03226	1.0
147.51357	0.5
148.01517	0.8
149.02960	0.6
155.02864	1.6
156.98125	1.0
157.13370	68.9
158.01360	0.4
158.03519	0.4
158.99701	1.2
159.01414	1.0
159.07739	0.4
160.01424	0.6
160.02812	0.5
161.01262	0.8
161.02908	1.5
162.03099	1.4
162.99182	1.2
165.00685	0.9
168.01967	0.7
168.52005	0.9
169.99979	0.9
170.03297	0.5
170.99663	0.8
171.01329	0.5
172.01523	0.5
172.97566	1.1
173.02977	0.8
173.12866	1.3
174.03117	0.5
174.99164	3.5
175.00786	0.8
176.00917	0.9
177.00725	0.7
178.03897	0.5
183.99751	0.5
185.03084	0.5
185.12866	25.3
186.03146	0.6
186.99159	0.6
187.00798	0.5
187.07211	0.8
188.00995	1.4
189.00691	0.9
189.02386	0.9
189.04298	0.7
190.02515	0.9
190.98657	1.2
191.03836	2.2
192.04218	0.5
193.00194	2.8
199.99261	0.4
200.01067	1.2
200.04439	5.4
200.54613	0.5
201.00687	0.7
201.02472	1.0
201.12349	1.3
202.02469	0.6
204.04167	0.5
205.00204	0.8
206.06966	0.8
207.01688	0.6
208.99850	0.7
216.00499	0.7
217.01906	0.7
217.51984	1.1
217.99083	0.5
218.02002	3.5
219.01654	0.5
219.03490	0.6
219.13387	1.4
220.03651	1.3
230.01936	0.5
230.07024	1.9
232.03569	0.4
237.02740	0.8
247.97081	0.5
248.03151	1.2
248.08104	3.6
249.02783	1.1
266.04321	0.5
266.09247	0.7
267.06940	0.5
272.16074	2.0
272.99026	0.5
277.03976	0.5
290.04303	2.5
290.07663	0.6
290.11426	0.6
291.00204	1.0
291.03653	0.7
308.05249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0915
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
55.01875	0.4
56.05046	0.9
56.96569	13.8
57.03448	0.6
57.05839	0.3
58.06606	0.5
60.04527	0.9
60.05637	0.4
60.95849	0.5
61.02935	0.6
69.03428	0.9
69.07069	3.5
70.06591	1.6
70.12613	0.3
70.98126	1.5
71.01349	0.4
71.21484	0.4
71.95272	1.1
72.08159	3.1
72.96053	0.7
73.02925	1.2
74.06074	1.8
74.09699	0.4
74.97618	0.5
81.03400	0.6
82.99879	0.3
83.97621	0.4
84.04506	0.9
84.08153	1.4
84.96035	1.0
85.02911	1.7
86.09711	100.0
88.03993	0.4
88.99173	0.4
89.07150	0.8
97.02885	1.4
98.97591	25.9
99.97950	0.2
101.00872	2.6
101.07148	0.5
102.00946	2.3
102.05550	0.4
102.96890	0.5
106.03355	0.3
106.05014	1.5
106.96550	0.2
107.04962	0.3
109.02832	0.3
110.01304	0.6
110.97584	2.3
112.11289	0.3
112.99152	0.3
113.00862	0.3
114.00958	0.4
114.09171	0.9
115.02448	0.7
116.00222	0.5
116.02546	0.7
116.03391	0.3
116.07121	0.4
116.98632	13.2
117.02047	0.3
117.03342	0.2
119.01918	4.4
120.02022	4.2
120.06575	0.3
120.08160	0.3
121.01694	0.5
124.99156	0.4
125.01038	0.3
126.02316	0.5
127.02507	0.3
127.03923	0.6
128.02325	0.4
128.10736	0.6
128.98592	2.0
129.10254	0.5
130.93347	0.2
131.00142	0.4
131.01079	0.3
131.01886	1.4
131.08148	0.3
132.02019	0.8
132.10220	1.2
133.01704	0.4
133.03445	1.3
134.03598	1.9
134.99669	4.4
135.04427	0.3
137.02937	0.9
137.05983	0.4
138.03087	0.7
139.00723	0.3
140.00143	0.4
140.03809	0.5
142.01683	0.3
142.05403	0.6
143.00192	0.7
143.01892	1.0
143.11787	0.7
144.02016	1.0
144.03163	0.3
144.98099	0.3
145.01682	0.3
145.03484	0.4
145.99818	0.3
146.02374	0.5
146.03519	0.4
146.99644	1.3
147.01451	0.3
147.03294	0.3
148.01465	0.7
148.05196	0.3
148.99414	0.3
149.02971	0.4
150.03110	0.4
150.99146	0.4
151.04515	0.3
153.00697	0.3
155.00337	0.4
156.98085	0.5
157.03491	0.4
157.13374	63.9
158.03717	0.3
158.04892	1.2
158.99675	1.4
159.01411	0.4
159.07660	0.7
160.02843	0.3
160.06500	1.2
161.01318	0.4
161.02980	1.8
162.03055	2.3
162.99178	0.7
163.02658	0.4
163.03922	1.0
165.00652	0.9
167.00383	0.3
168.01927	0.5
169.99968	0.8
170.03423	0.6
170.04913	0.7
170.99744	0.3
171.01405	0.6
171.03307	0.9
171.11261	0.5
172.01524	0.6
172.94389	0.7
172.97606	0.7
172.99149	0.3
173.01286	0.4
173.02994	0.8
173.12856	2.1
174.03180	0.7
174.97845	0.3
174.99118	1.2
175.11987	0.3
176.00960	0.5
176.06032	0.4
176.99606	0.3
177.00793	1.8
177.08752	0.4
178.01071	0.3
178.07501	0.4
181.00171	0.5
185.12868	25.3
186.03070	0.4
186.99275	0.3
187.00911	0.7
187.07170	0.5
187.14543	0.4
188.00897	1.9
188.05971	1.4
189.00688	1.0
189.02472	0.6
189.04318	3.2
189.99684	0.3
190.02647	1.1
190.95444	0.7
190.98627	0.5
191.03908	3.1
191.10257	0.4
192.04243	0.4
193.00227	0.6
197.01360	0.4
199.00858	0.3
200.01241	1.2
200.04457	5.3
200.06151	0.4
200.54651	0.4
201.02437	0.3
201.12323	2.3
202.02643	0.6
203.03992	0.6
205.00269	0.5
205.02026	0.3
206.02090	0.8
206.07030	3.9
206.10190	0.4
207.05347	1.6
208.99699	0.5
209.01428	0.6
209.06641	0.3
211.00243	0.3
216.00558	0.9
217.01968	0.9
217.51990	0.3
217.99158	0.3
218.02060	3.5
218.95070	0.3
219.01736	0.6
219.03554	0.4
219.13400	1.4
220.03706	1.4
224.08133	3.3
230.02113	0.7
230.07039	10.2
232.03773	0.3
235.03183	0.5
237.02814	0.8
247.03029	0.7
248.03198	1.5
248.08096	18.7
249.02806	1.1
250.04878	0.3
258.04956	1.1
260.08206	0.5
265.04028	0.5
266.04224	0.7
266.09085	1.3
267.05673	1.6
271.09567	0.7
272.09836	0.4
272.16101	2.2
276.06000	1.0
277.03937	0.6
278.09058	1.0
290.04279	2.4
290.07828	0.7
290.16656	1.0
290.20712	0.4
304.03726	0.4
307.96863	0.4
308.05548	1.3
308.08820	0.3
308.13477	0.4
309.04742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.98072	1.3
53.03936	2.8
53.68326	1.3
55.01875	3.5
55.05276	2.0
55.05515	25.8
57.03418	2.1
57.07080	7.6
58.64926	1.2
58.91555	1.1
59.04975	1.3
67.05508	27.8
69.03426	3.9
69.07075	55.6
69.85897	5.7
71.04981	3.4
71.08617	1.5
79.05498	16.9
81.03414	1.4
81.07062	87.4
82.07363	1.3
83.04961	3.0
83.08627	24.3
84.04533	2.0
85.06541	8.8
91.05493	11.8
93.07047	45.9
95.04988	6.8
95.08613	66.1
97.06525	7.6
97.10159	7.2
99.08083	4.0
105.07037	34.2
107.04949	2.5
107.08604	50.4
109.06517	4.5
109.10162	43.7
109.91553	1.4
111.08088	9.9
111.11719	9.4
113.09646	2.5
117.07024	2.8
118.01540	1.1
119.04961	1.2
119.08587	28.1
121.06487	3.6
121.10152	49.8
123.08073	4.0
123.10836	2.8
123.11720	54.7
125.09641	4.2
127.03924	2.8
127.11187	2.2
129.07013	1.8
131.08559	5.7
133.10152	20.5
135.08060	1.9
135.11705	32.9
137.09608	6.0
137.13271	10.3
139.07567	1.7
139.11221	8.7
143.08650	1.5
145.10141	9.5
147.11693	20.7
149.09511	1.5
149.12077	1.4
149.13266	26.1
151.11200	5.4
151.14836	2.8
153.12753	2.2
157.10201	2.0
159.11722	12.4
161.13264	19.3
163.11101	1.9
163.14851	14.1
165.12753	6.8
167.14391	3.0
171.11716	1.9
173.09523	2.0
173.13246	9.5
175.14827	14.9
177.12709	2.3
177.16357	11.2
179.14319	4.2
187.14839	9.6
189.16403	8.9
191.14362	2.4
191.17987	3.9
193.15903	2.8
201.16377	6.3
203.17946	5.4
205.15814	2.3
207.17519	4.8
215.17966	7.0
217.19522	6.5
219.17455	3.3
229.19539	2.9
231.21085	2.0
233.19035	4.3
245.22668	18.3
271.16693	2.5
271.24307	18.8
279.34360	1.3
289.18307	8.4
289.25278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03931	3.8
55.01867	2.2
55.05271	1.8
55.05509	24.8
57.03418	2.6
57.07079	9.0
67.05507	32.7
69.03423	6.2
69.07071	45.9
69.63889	8.4
71.04984	3.8
71.08625	3.2
79.05500	26.1
81.07057	100.0
83.04991	7.3
83.08620	17.1
84.04462	2.2
84.86237	1.3
85.02888	2.2
85.06531	5.7
91.05476	16.8
93.07049	60.3
95.04949	4.9
95.08609	75.9
97.06535	7.6
97.10191	10.2
98.20785	1.4
99.08072	4.9
105.07035	39.0
107.04891	1.7
107.08594	84.6
109.06524	4.3
109.10158	62.7
111.08074	9.0
111.11688	5.6
113.09636	1.9
117.07027	3.8
118.06531	1.5
119.08581	33.5
120.08112	3.5
121.10142	62.4
123.08041	4.0
123.11710	38.7
124.07607	1.8
125.09625	4.7
127.03924	3.0
127.11152	1.6
131.08560	10.9
133.10133	25.2
134.06030	1.3
135.08107	1.6
135.11696	40.0
136.07603	1.9
137.09619	4.7
137.13271	11.2
139.11183	5.0
143.08586	1.7
143.71822	1.3
145.10135	13.4
146.06052	1.6
147.08052	1.5
147.11691	18.3
148.07570	4.1
149.13246	52.9
151.11145	3.1
151.14796	1.8
153.12766	2.5
153.94112	1.3
159.07933	2.1
159.11678	21.3
161.13255	22.0
162.55244	1.4
163.14827	23.2
164.07083	28.4
165.12799	6.5
167.14345	1.6
173.13243	12.9
175.14853	13.4
177.12773	1.9
177.16397	9.7
179.14348	2.4
183.11630	1.2
187.11171	1.7
187.14763	7.4
189.16367	11.0
191.17940	8.9
193.15819	3.0
201.16377	9.8
203.17955	5.4
205.15846	1.8
205.19623	2.1
207.17415	1.7
213.16315	1.6
215.18001	10.1
217.19518	1.5
219.17482	1.9
229.19562	4.4
231.20934	3.6
233.19008	2.7
243.14864	1.6
243.20996	2.2
245.22574	6.8
261.25760	1.4
271.14398	4.8
271.17026	2.5
271.24216	32.8
289.15421	19.6
289.18240	5.4
289.22147	3.7
289.25253	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.61117	2.7
55.05517	34.4
57.07067	4.5
59.05013	61.4
63.94580	3.0
67.05496	10.2
69.07066	7.8
69.35382	2.7
71.52768	4.2
73.06591	3.2
79.05489	12.5
81.07077	15.8
85.06554	100.0
91.05490	20.8
93.07060	25.5
94.26812	2.5
95.04971	3.6
95.08608	24.8
97.06574	3.4
99.08092	17.9
105.07033	15.2
107.08595	12.9
109.10181	4.9
111.08118	6.2
117.07054	5.4
119.08578	26.0
121.10165	8.3
123.11774	4.1
125.09642	19.8
127.03930	17.3
129.07036	4.9
131.08566	20.3
133.10127	17.1
135.11804	4.3
137.09666	3.6
141.06955	4.5
142.07840	8.3
143.08569	13.9
145.10152	15.1
147.11705	10.6
149.09641	4.8
151.11200	12.6
155.08595	8.1
156.09358	3.5
157.10167	31.2
158.10904	6.4
159.11703	19.7
161.09679	5.1
166.79013	2.6
168.09349	4.8
169.10132	12.5
171.11726	14.4
173.09624	3.2
173.13277	39.1
175.11177	4.1
177.12819	4.4
183.11711	29.2
185.13303	4.0
189.12691	4.6
191.14267	4.2
197.13219	15.3
198.14146	3.8
199.14894	8.2
201.12791	11.5
209.13246	4.3
211.14928	6.0
215.14474	5.4
217.15833	3.3
224.15637	3.4
239.17955	27.1
257.19019	12.7
259.16925	4.9
271.20642	8.4
274.15417	2.7
289.18356	7.3
289.21677	95.3
289.25110	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	289.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48862	0.6
51.02357	0.7
51.76173	0.7
53.03954	2.6
53.35653	0.6
55.05511	11.0
56.05030	0.8
57.03437	0.9
57.07090	5.3
59.05011	0.9
65.03931	1.5
67.05509	37.6
69.03441	0.9
69.07076	11.5
70.06600	1.9
71.08633	1.7
71.12580	1.3
79.05495	18.0
80.29610	0.6
81.03403	1.8
81.07061	100.0
83.04978	1.7
83.08628	7.9
84.08061	0.7
85.06561	1.8
88.07638	3.0
91.05493	13.4
93.07051	22.9
95.04988	3.7
95.08614	77.8
97.02941	0.8
97.06550	3.1
97.10197	3.6
99.04459	6.3
105.07037	17.0
106.08685	2.0
107.04959	1.9
107.08592	17.6
109.06561	3.4
109.10165	55.1
111.04462	4.1
111.08099	2.9
111.11709	0.8
117.07033	4.7
119.04958	0.9
119.08589	11.6
121.06515	2.8
121.10146	9.4
123.04453	3.2
123.08083	2.9
123.11715	80.6
125.05982	4.6
125.09656	2.6
127.03926	5.6
129.06987	1.0
131.04907	0.9
131.08582	7.8
133.06554	1.2
133.10147	9.0
135.04443	2.7
135.08044	2.4
135.11703	4.5
137.05966	4.1
137.09604	1.5
137.13268	8.9
138.05527	1.4
139.07552	6.7
143.08591	1.4
145.06506	1.1
145.10141	7.3
147.08076	2.6
147.11685	6.2
149.05945	1.8
149.09674	1.5
149.13263	1.8
151.07564	2.5
151.11121	1.3
151.14853	1.1
153.09109	10.6
155.08585	1.1
157.10112	1.9
159.08054	1.7
159.11691	4.5
161.09634	2.1
161.13275	3.3
163.07571	1.8
163.11151	1.2
165.09138	2.4
167.10696	7.9
169.10133	1.1
173.09641	2.5
173.13303	2.3
175.11208	2.2
177.09123	2.7
179.10670	11.8
181.12206	2.1
183.11676	0.9
187.11197	2.4
187.14833	1.5
189.12743	2.4
191.10663	7.7
191.17937	3.4
193.12236	10.5
195.13779	0.8
201.12752	1.7
203.14287	0.9
203.17998	1.7
205.12241	10.3
207.13791	8.1
215.14359	2.4
219.13811	17.2
221.15405	2.0
229.15695	0.8
233.15379	18.4
233.18933	0.8
242.24725	1.2
247.16959	0.9
271.17322	1.4
271.20569	11.0
271.23318	1.3
289.18127	7.9
289.21619	77.6
289.29248	19.2
290.26904	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01862	3.0
55.05515	32.5
57.03439	24.4
57.07077	2.5
67.05509	47.6
67.27777	0.8
69.03434	1.7
69.07074	32.0
69.68044	3.8
71.05000	18.8
79.05498	22.6
81.03439	1.0
81.07062	89.6
83.05004	4.2
83.08157	1.3
83.08624	20.2
85.02888	1.2
85.06547	16.6
87.04444	0.8
91.05482	19.1
93.07050	29.8
95.04972	3.1
95.08612	100.0
97.06538	22.6
97.10180	5.1
99.08096	8.2
101.06017	1.1
105.07039	21.0
106.19388	1.0
107.08603	17.5
109.06500	4.6
109.10155	19.0
109.10847	1.4
111.08102	6.7
113.09644	2.0
115.07602	1.2
117.06991	1.3
119.08582	25.3
120.59592	1.0
121.10154	10.4
123.08062	7.4
123.11716	3.5
125.09675	2.2
127.03947	1.2
127.07614	1.8
129.05501	1.5
133.10138	19.0
135.11694	11.1
137.09624	5.0
137.13287	8.6
139.11143	1.0
141.09183	1.0
145.10172	1.4
147.11755	2.3
149.13260	9.2
157.12260	1.2
159.11726	2.1
161.13264	48.7
163.14911	1.4
167.14384	0.9
179.14333	32.8
193.11697	1.2
197.15375	12.5
215.16354	2.0
253.18103	5.6
258.39001	0.9
260.00565	1.0
271.19101	40.8
280.14612	1.1
289.05994	3.8
289.20142	67.4
289.24902	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	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01867	3.0
55.05514	25.7
56.94175	1.0
56.96563	1.4
57.03440	13.9
57.07069	4.0
65.03925	1.4
67.05510	36.8
68.21156	1.0
69.03435	3.8
69.07072	25.4
69.54609	7.6
70.06616	1.2
71.04998	19.7
72.08135	1.4
72.66419	0.9
73.06547	1.4
75.25777	1.0
77.58941	1.1
79.05501	22.9
79.76937	1.1
81.03407	2.0
81.07059	77.9
83.04988	5.0
83.08626	18.2
84.04494	3.8
84.08128	1.1
85.02900	1.6
85.06545	21.4
91.03365	1.3
91.05487	20.9
93.06493	1.6
93.07050	25.9
95.04975	4.9
95.08612	100.0
97.05923	1.7
97.06536	25.1
97.10171	6.3
98.06837	2.2
98.21481	2.2
99.08099	8.2
105.07038	22.9
107.08602	13.3
109.06543	5.3
109.10159	12.6
111.08090	6.2
113.09645	3.5
114.01597	1.0
115.07536	1.7
117.07016	2.5
117.23811	1.1
119.01895	1.4
119.08591	33.3
120.08057	1.3
121.10153	13.1
123.08088	8.6
123.11690	2.6
127.03930	2.5
127.07578	1.6
131.08578	2.5
133.10135	25.2
135.08121	1.9
135.11708	16.4
137.09618	3.7
137.13277	13.0
141.09106	1.7
143.08487	1.3
145.06541	1.1
145.10112	1.4
147.08138	1.1
147.11662	2.9
149.13277	2.2
151.11250	1.8
159.11700	2.2
161.13263	65.5
179.14328	47.1
184.11137	2.5
187.11201	1.1
190.11163	1.7
193.11734	1.6
197.15378	18.5
199.11736	5.5
215.16469	1.5
229.15855	1.3
253.18024	4.0
261.81598	1.1
265.13882	1.8
271.19064	95.7
289.11600	1.6
289.14807	4.4
289.20343	21.9
289.25122	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	289.2163
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
53.03935	4.4
54.19535	2.7
55.01870	3.3
55.05522	24.3
57.07078	18.1
59.04998	3.8
61.23167	2.4
67.05508	23.4
69.03454	2.5
69.06731	4.0
69.07071	52.1
71.05006	4.2
71.08617	11.7
71.53349	2.7
75.42724	2.8
79.05493	16.2
81.07063	35.5
83.04984	27.3
83.08613	10.9
85.02878	2.6
85.06544	7.2
85.10173	5.6
88.52084	2.7
91.05488	17.6
93.07052	35.6
95.04956	5.7
95.08616	55.6
97.06564	14.1
97.28276	2.6
98.46614	2.5
101.06006	6.6
105.07044	37.0
107.08605	21.0
109.06531	5.8
109.10151	25.8
111.08099	5.0
115.07565	3.1
117.07043	6.3
119.07806	4.9
119.08585	55.7
121.06503	5.4
121.10162	18.4
123.08111	5.9
123.11710	37.5
125.09628	3.4
127.03924	16.6
128.06238	3.3
129.07021	6.1
131.08563	22.6
133.10129	41.9
135.11696	10.5
136.98483	2.7
137.09619	5.5
137.13327	2.8
139.07561	3.0
142.07762	3.2
143.08549	9.0
145.10139	39.6
147.08060	4.2
147.11703	20.8
149.09570	4.1
149.13326	3.2
151.11218	3.3
156.09373	4.7
157.10153	15.6
158.10899	3.3
159.11699	30.2
161.09659	4.6
161.13271	39.1
163.11176	3.7
165.09116	19.2
169.10152	3.5
171.11678	14.8
173.09554	2.7
173.13281	26.0
175.11208	4.0
175.14838	69.7
176.15482	5.0
177.16418	6.3
183.11676	6.0
185.13220	7.8
187.11285	5.1
187.14862	11.9
189.12741	9.8
189.16405	6.7
197.13329	7.4
199.14897	6.1
201.12761	10.7
201.16354	19.1
203.14499	3.7
211.14824	2.9
213.16397	13.5
215.14438	5.7
215.17908	20.8
217.19528	3.7
220.44112	2.8
227.18002	7.6
229.19516	2.9
232.74667	2.7
243.21136	19.8
245.19090	9.6
253.19518	7.6
271.20581	30.1
283.47296	3.0
289.18451	4.5
289.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01865	4.7
55.05516	14.9
57.03426	6.5
57.07073	8.6
58.41715	1.8
59.05001	3.8
67.05505	23.5
68.99790	3.0
69.03440	12.7
69.07080	12.6
70.06577	5.1
70.36364	6.5
71.04992	7.6
72.08151	4.7
79.05505	22.9
81.03404	11.3
81.07063	38.3
83.04987	30.9
83.08630	7.6
84.04506	3.5
84.08150	6.4
85.02911	4.6
85.06551	31.8
86.09727	5.1
91.05487	33.6
93.07049	34.2
95.04989	14.8
95.06084	6.3
95.08610	23.9
97.02902	4.8
97.06522	5.7
97.10130	3.2
98.97609	3.3
99.04431	4.8
99.08071	2.6
105.07044	45.0
107.04967	4.6
107.08599	29.2
109.06526	22.4
109.10169	14.7
111.08085	17.0
112.08707	2.6
115.05419	3.3
117.07017	16.8
119.04967	2.5
119.08588	56.6
120.08109	5.7
121.06503	15.1
121.10161	20.0
123.04445	9.6
123.08064	9.0
123.11733	5.1
124.07596	3.0
125.06020	2.9
125.09673	8.9
127.03925	12.9
127.07540	16.6
128.06177	5.4
129.07001	12.0
130.07794	3.8
131.04964	2.4
131.08589	19.6
133.06522	4.3
133.10114	14.0
135.08069	25.6
135.11659	10.0
137.06024	3.7
137.09637	11.2
139.07549	3.3
141.07048	4.5
142.07811	3.5
143.08574	16.5
144.09372	4.8
145.06503	5.8
145.10138	50.6
147.08060	99.6
147.11717	17.2
149.06061	2.6
149.09618	11.5
149.13277	8.4
151.07599	2.9
151.11208	4.6
153.09108	16.4
154.07755	2.9
155.08545	6.3
156.09328	5.6
157.06483	3.2
157.10150	12.2
157.12244	3.8
158.07254	3.3
159.08093	6.8
159.11716	30.5
161.05997	2.3
161.09671	10.9
161.13269	7.7
163.07581	3.5
163.11246	15.9
164.07088	3.7
165.09099	2.3
169.10112	12.4
170.10930	8.3
171.08020	3.2
171.11696	13.6
172.08856	2.7
173.09657	16.1
173.13264	3.1
175.07599	6.0
175.11220	5.3
177.09164	3.3
177.12747	3.3
179.10699	14.5
182.08430	2.1
183.08070	2.3
183.11728	10.9
185.09659	2.5
185.13266	13.1
187.11197	31.4
189.12770	6.5
191.10741	6.7
193.12134	2.2
195.10094	2.7
195.11807	6.6
196.12529	2.9
197.09624	4.3
198.10522	3.5
199.11391	2.9
201.12692	11.2
201.16434	2.6
203.14363	8.6
205.12219	22.0
205.15971	2.3
210.07915	4.0
211.14841	6.3
213.12788	19.9
215.10736	10.0
218.07278	2.2
219.13870	5.2
225.10400	3.1
225.16371	4.3
226.49333	2.3
229.12404	3.0
229.15923	15.4
231.13826	63.1
233.11768	9.9
243.17540	7.9
247.17023	7.0
253.15923	7.1
259.16888	2.1
261.18518	3.6
271.10815	37.0
271.14191	4.8
271.16922	44.1
271.24341	2.5
289.11414	8.1
289.15308	7.3
289.18048	100.0
289.25262	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	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03948	1.7
55.01886	5.4
55.05519	41.1
57.03434	2.5
57.07083	2.4
57.41639	1.1
59.05012	2.7
67.05507	19.3
69.03429	3.2
69.07072	8.3
69.74232	4.2
69.74645	2.3
70.06602	1.5
70.18118	1.2
71.04977	1.5
71.06934	1.2
72.41516	1.0
79.05067	2.3
79.05498	23.6
79.05924	2.1
81.07066	21.3
83.05002	3.2
83.08629	14.3
85.02964	1.2
85.06543	3.0
88.07645	4.3
88.76823	1.3
89.07970	1.9
91.05487	12.2
93.07068	9.5
95.08617	5.9
97.02901	2.6
97.10181	19.9
98.20847	1.9
105.07041	6.5
106.08685	7.2
107.08575	16.7
109.06528	2.4
109.10192	5.8
115.05469	13.8
117.07030	62.8
119.08597	12.2
121.06546	2.6
121.10175	1.7
125.09647	16.1
127.03946	8.6
128.06230	2.7
129.07014	4.7
131.08592	10.3
133.10144	4.5
135.08098	7.0
141.07011	1.6
142.07785	2.4
143.08595	13.1
145.06500	68.5
145.10138	5.9
147.08043	1.7
147.11716	1.9
153.09119	3.2
155.08566	4.7
157.10138	9.5
159.08102	4.3
159.11681	3.7
161.09683	1.6
169.10121	5.7
171.10252	2.0
171.11774	2.2
173.09624	2.5
173.11850	1.5
183.11716	4.1
185.09671	1.4
185.13335	1.5
189.11227	10.4
189.12773	1.3
211.14890	2.4
215.17888	1.2
225.16403	9.1
228.20366	1.7
235.14902	2.0
243.17430	5.4
243.21217	1.2
253.16060	7.1
256.77737	1.7
265.81738	1.1
271.16962	100.0
289.18045	12.5
289.21655	5.7
289.25293	2.3
289.29285	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	289.18
Annotation	2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
53.03939	5.4
55.01870	5.2
55.05513	15.2
57.03439	2.4
57.07063	4.1
57.92060	1.5
65.03944	4.0
65.90155	1.4
67.05511	26.7
69.03089	2.3
69.03436	33.9
69.07077	14.3
69.32563	4.4
69.32973	10.5
71.04993	11.6
72.08137	2.9
74.07636	1.8
77.03909	2.5
77.43359	1.7
79.05499	32.8
81.03416	4.5
81.06587	3.2
81.07058	45.6
83.04987	12.9
83.08613	7.8
84.08170	2.5
85.02908	15.0
85.06540	7.7
86.09694	2.5
91.05493	36.1
91.06049	1.2
93.07048	100.0
95.04971	10.6
95.08615	42.4
97.02882	3.5
97.06554	10.9
97.10154	3.2
99.04454	15.4
99.08080	2.3
103.05495	3.7
105.06402	3.0
105.07041	34.9
107.04951	7.0
107.08601	57.4
109.02876	4.4
109.06522	23.8
109.10149	15.6
111.08106	10.4
113.05985	7.9
115.05460	2.7
117.07021	6.6
119.01918	2.0
119.08584	33.9
121.02892	1.8
121.06506	12.3
121.10154	60.3
123.08085	15.3
123.11736	10.0
125.06007	23.0
127.03915	4.9
127.07592	12.1
128.06256	4.4
129.06989	4.3
131.08569	13.2
133.06523	3.1
133.10133	22.2
135.08078	14.3
135.11729	13.6
136.37111	1.7
137.05984	5.5
137.09628	4.3
137.13316	2.1
139.07539	6.1
139.11189	3.2
141.09129	2.3
142.07758	5.5
143.08560	12.5
144.09291	2.5
145.04951	5.8
145.06477	2.0
145.10135	23.0
147.08026	7.1
147.11694	16.1
149.02316	3.7
149.06013	2.9
149.09628	14.6
149.13271	8.7
149.14311	1.9
151.07536	6.3
153.01854	4.4
153.09103	2.5
155.08542	5.0
156.09367	7.8
157.10139	14.5
158.07285	2.6
159.08057	6.7
159.11720	12.3
161.09651	14.2
161.13255	8.8
163.07541	2.6
163.11208	4.3
163.14824	4.9
165.12857	2.8
167.07094	12.3
169.08640	38.7
169.10103	4.5
170.10912	2.6
171.11699	22.4
172.08856	3.1
173.09749	4.1
173.13275	7.7
175.11192	5.3
175.14799	5.1
177.09106	7.6
183.07948	2.0
183.11700	4.2
185.09584	3.1
185.13249	13.1
187.11177	7.5
187.14828	7.7
189.09149	2.7
189.12738	23.0
191.10625	3.3
191.14204	3.7
195.02904	1.8
195.10158	9.9
195.11697	3.5
196.12555	2.4
198.10507	3.9
199.14796	4.3
201.12759	3.4
201.16443	3.4
203.10701	3.1
203.14319	3.6
211.14806	6.8
213.12770	12.5
215.06979	4.3
215.10608	3.6
215.17941	2.2
221.11734	7.0
225.16418	3.8
227.14412	2.5
229.15932	10.2
231.13817	16.7
243.06638	3.0
243.17413	4.2
247.16890	3.5
253.15901	3.3
259.16818	4.0
271.16882	21.7
271.24301	2.1
289.10995	2.7
289.15533	1.9
289.17999	51.3
289.25208	13.8
299.03479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1801
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03946	5.7
55.01865	4.7
55.05516	14.9
57.03426	6.5
57.07073	8.6
58.41715	1.8
59.05001	3.8
67.05505	23.5
68.99790	3.0
69.03440	12.7
69.07080	12.6
70.06577	5.1
70.36364	6.5
71.04992	7.6
72.08151	4.7
79.05505	22.9
81.03404	11.3
81.07063	38.3
83.04987	30.9
83.08630	7.6
84.04506	3.5
84.08150	6.4
85.02911	4.6
85.06551	31.8
86.09727	5.1
91.05487	33.6
93.07049	34.2
95.04989	14.8
95.06084	6.3
95.08610	23.9
97.02902	4.8
97.06522	5.7
97.10130	3.2
98.97609	3.3
99.04431	4.8
99.08071	2.6
105.07044	45.0
107.04967	4.6
107.08599	29.2
109.06526	22.4
109.10169	14.7
111.08085	17.0
112.08707	2.6
115.05419	3.3
117.07017	16.8
119.04967	2.5
119.08588	56.6
120.08109	5.7
121.06503	15.1
121.10161	20.0
123.04445	9.6
123.08064	9.0
123.11733	5.1
124.07596	3.0
125.06020	2.9
125.09673	8.9
127.03925	12.9
127.07540	16.6
128.06177	5.4
129.07001	12.0
130.07794	3.8
131.04964	2.4
131.08589	19.6
133.06522	4.3
133.10114	14.0
135.08069	25.6
135.11659	10.0
137.06024	3.7
137.09637	11.2
139.07549	3.3
141.07048	4.5
142.07811	3.5
143.08574	16.5
144.09372	4.8
145.06503	5.8
145.10138	50.6
147.08060	99.6
147.11717	17.2
149.06061	2.6
149.09618	11.5
149.13277	8.4
151.07599	2.9
151.11208	4.6
153.09108	16.4
154.07755	2.9
155.08545	6.3
156.09328	5.6
157.06483	3.2
157.10150	12.2
157.12244	3.8
158.07254	3.3
159.08093	6.8
159.11716	30.5
161.05997	2.3
161.09671	10.9
161.13269	7.7
163.07581	3.5
163.11246	15.9
164.07088	3.7
165.09099	2.3
169.10112	12.4
170.10930	8.3
171.08020	3.2
171.11696	13.6
172.08856	2.7
173.09657	16.1
173.13264	3.1
175.07599	6.0
175.11220	5.3
177.09164	3.3
177.12747	3.3
179.10699	14.5
182.08430	2.1
183.08070	2.3
183.11728	10.9
185.09659	2.5
185.13266	13.1
187.11197	31.4
189.12770	6.5
191.10741	6.7
193.12134	2.2
195.10094	2.7
195.11807	6.6
196.12529	2.9
197.09624	4.3
198.10522	3.5
199.11391	2.9
201.12692	11.2
201.16434	2.6
203.14363	8.6
205.12219	22.0
205.15971	2.3
210.07915	4.0
211.14841	6.3
213.12788	19.9
215.10736	10.0
218.07278	2.2
219.13870	5.2
225.10400	3.1
225.16371	4.3
226.49333	2.3
229.12404	3.0
229.15923	15.4
231.13826	63.1
233.11768	9.9
243.17540	7.9
247.17023	7.0
253.15923	7.1
259.16888	2.1
261.18518	3.6
271.10815	37.0
271.14191	4.8
271.16922	44.1
271.24341	2.5
289.11414	8.1
289.15308	7.3
289.18048	100.0
289.25262	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	289.1799
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03938	5.4
55.01865	6.6
55.05510	24.5
57.07074	4.2
65.03928	3.9
67.05174	4.4
67.05505	47.1
69.03122	2.9
69.03437	26.3
69.07071	20.2
71.04999	14.3
71.52627	3.2
72.08132	8.7
79.05500	34.0
81.03425	9.2
81.07063	57.5
83.04990	23.7
83.08627	8.4
84.04498	3.1
84.08141	5.5
85.02905	9.5
85.06535	9.8
87.04494	3.5
87.74553	2.5
91.05483	33.4
93.07047	100.0
95.04974	27.2
95.08610	92.5
97.02894	3.2
97.06529	9.3
97.10152	3.0
99.04460	4.8
99.08096	7.0
101.06039	6.6
103.05421	4.0
105.06400	4.1
105.07042	47.5
107.04946	3.9
107.08600	51.9
109.02892	4.1
109.06510	19.4
109.10163	46.1
111.07371	2.5
111.08079	11.7
117.07031	7.6
119.08591	47.4
121.06499	17.8
121.10152	99.6
121.11048	5.1
123.08076	32.7
123.11703	11.0
125.05973	5.3
125.09649	5.9
127.03882	13.4
127.07558	5.2
129.06981	4.7
131.08554	21.0
133.06459	4.9
133.10136	27.2
135.08081	20.1
135.11708	20.4
137.06012	5.8
137.09612	11.4
137.13277	3.7
139.07542	9.8
139.11194	4.1
141.06961	2.7
141.09125	5.8
143.08560	13.5
145.10135	19.9
147.08046	10.8
147.11703	24.8
149.05989	4.9
149.09621	31.0
149.13231	10.0
151.07539	31.1
151.11157	2.7
153.06964	3.4
153.09099	3.3
155.08546	4.9
156.09395	7.9
157.10104	9.8
158.10852	4.7
159.08134	6.5
159.11679	30.3
161.09592	9.4
161.13264	22.1
163.07549	3.3
163.11148	6.1
163.14806	8.9
165.07103	3.4
165.09196	6.9
169.08595	22.8
169.10136	11.0
170.10954	3.0
171.07971	3.3
171.11693	13.3
172.08830	5.6
173.09631	14.3
173.13280	29.1
175.11197	12.7
175.14822	5.8
177.09094	7.5
183.11714	5.7
185.13286	10.1
187.11179	15.0
187.14835	8.3
188.12102	2.8
189.12721	11.1
191.10757	3.7
191.14310	11.4
195.10190	7.0
197.13358	3.0
199.11276	3.2
201.12727	11.9
201.16371	6.1
203.10698	4.2
203.14334	2.9
210.14075	4.3
211.14827	3.8
213.12721	11.4
215.17953	7.7
217.12219	4.0
221.11803	8.0
225.16397	7.7
229.15884	12.0
231.13777	9.6
243.17426	16.1
247.17136	3.2
253.15857	8.9
261.18518	4.9
271.16962	23.4
271.24307	4.6
273.28577	2.6
289.15396	3.1
289.18021	70.4
289.21384	5.7
289.25208	22.3
307.89014	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	289.1436
Annotation	Decompostin
Peak:m/z	Relative Intensity
53.03955	0.7
54.14458	0.5
55.01859	0.6
55.05273	0.8
55.05511	7.3
57.03422	0.6
59.04993	0.7
67.05487	1.4
69.03429	10.1
69.07055	1.7
69.62805	2.3
69.63207	0.8
79.05475	1.8
81.07046	1.7
83.04982	50.5
83.08610	0.6
85.06555	1.0
86.69272	0.6
88.07623	0.8
91.05457	2.9
93.07044	1.9
95.04953	1.9
95.08607	1.4
97.06491	1.1
105.07038	3.1
107.08581	1.6
109.06508	3.2
109.10096	1.0
112.64763	0.5
117.07046	1.3
119.08572	4.4
121.06494	2.6
123.04435	0.7
123.11694	0.6
127.03915	4.0
129.06972	1.8
131.08549	3.2
133.06477	1.0
133.10109	1.2
137.06041	0.7
141.06955	1.2
142.07755	1.4
143.08559	1.8
144.09392	1.3
145.06490	5.3
145.10110	2.4
147.08060	5.4
147.11707	1.0
153.07022	1.1
155.08586	4.8
157.10117	1.6
158.07387	0.6
158.10966	0.8
159.04410	2.1
159.08051	5.6
159.11691	2.4
161.13234	1.4
167.08504	1.4
168.09341	4.4
169.06479	0.7
169.10158	0.7
171.08031	1.5
171.11700	0.6
172.08859	1.8
173.05995	5.6
173.09612	2.3
173.13272	3.6
178.07748	1.1
181.06421	1.7
181.10123	0.9
182.07254	1.8
183.08049	1.6
183.11687	7.7
185.09647	2.1
186.10344	2.8
187.07573	1.2
187.11214	4.3
193.10118	2.0
195.08070	0.9
196.08832	7.0
199.11189	0.9
200.08347	0.8
201.12755	10.6
211.11177	17.0
214.09967	1.5
229.12244	42.4
247.13298	100.0
266.12854	0.6
271.20477	0.7
288.28931	1.3
288.31943	0.7
289.14645	0.9
289.18039	2.3
289.21597	3.2
289.29269	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	288.1918
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.01894	0.8
55.05515	7.5
56.05037	1.4
60.04533	1.8
67.05509	1.4
69.03445	1.1
69.07085	2.0
70.06596	8.4
71.05008	0.9
71.51161	0.8
71.51530	1.1
72.08160	100.0
81.07072	1.1
82.06561	0.8
84.04511	0.8
84.08144	6.4
85.84966	0.6
86.06077	2.3
86.09711	82.3
87.04475	1.7
87.10032	0.8
88.04009	1.2
91.05486	2.1
93.07067	5.6
95.04982	1.1
97.06573	0.9
98.06048	5.1
98.97603	1.4
102.05550	0.7
104.07111	3.3
107.08617	0.9
112.80775	0.6
113.07164	1.0
118.08642	4.7
120.06595	0.8
120.08086	1.1
121.10180	3.1
123.04531	1.0
124.07614	4.4
126.05575	1.0
129.10249	88.8
130.06580	0.8
132.10225	17.5
132.11183	1.1
143.11807	31.0
143.74847	0.9
149.09668	2.1
153.10304	1.1
157.09740	32.3
157.13359	14.3
166.08731	0.8
167.10687	1.3
171.11311	10.1
175.11975	1.2
182.39159	0.8
184.13408	1.6
185.12877	5.9
189.12399	3.2
207.10875	0.8
217.15648	0.8
221.07544	0.8
224.16476	0.8
252.16100	2.8
260.15494	0.9
265.11270	3.8
288.06039	1.0
288.18256	3.9
288.22964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96351	1.2
56.96571	14.0
61.02908	2.0
70.06593	3.0
70.98136	4.2
70.99849	4.3
71.51488	1.5
72.08130	1.9
82.99845	10.7
85.02940	1.9
86.09707	3.2
86.99297	1.3
94.60484	1.6
95.62135	1.7
97.01382	5.7
98.97598	35.1
101.00891	90.2
108.04240	1.4
110.97581	3.2
112.99049	2.0
113.00882	10.4
113.01541	1.4
115.02437	19.8
116.98641	8.0
119.01929	100.0
120.02016	2.3
126.98748	2.5
127.02411	4.2
128.98624	2.4
129.03981	5.8
130.93309	2.3
131.00211	1.9
131.01918	22.8
133.03476	37.2
134.99609	2.8
137.02988	8.6
137.68658	1.4
142.03534	1.9
143.00229	2.0
143.01900	21.9
144.99837	2.8
145.03490	9.0
147.01462	2.6
147.05034	3.9
149.02951	4.3
151.04544	3.6
155.01892	2.0
157.03485	4.4
158.35957	1.6
159.01375	3.0
161.02968	51.9
168.99820	11.8
171.01405	12.8
171.45258	1.7
172.94333	6.9
173.02969	13.8
175.00836	3.4
175.04486	2.6
177.00810	1.8
177.02440	3.2
179.04025	4.9
180.99785	2.7
185.02962	6.3
187.00887	27.7
187.04503	3.2
189.02501	7.5
190.95441	3.4
191.03976	8.6
196.99316	5.5
199.00906	20.0
199.04622	1.6
201.02432	6.4
203.04082	3.2
205.00136	2.8
205.01949	23.2
207.03482	2.3
215.00369	28.1
216.96994	2.8
217.01979	25.3
219.01595	2.1
219.03502	13.5
223.03055	4.1
229.01994	13.3
230.06908	2.1
231.03600	2.9
233.01360	4.1
235.03134	2.5
246.97964	4.1
247.00516	1.9
247.03026	30.5
256.96469	2.2
257.01410	3.7
259.02896	4.8
265.03937	4.6
274.97556	9.6
277.04099	6.5
288.95782	1.7
288.99030	2.9
289.04037	13.2
289.07272	10.1
289.20428	3.1
292.98471	4.2
306.96408	2.4
307.05057	6.8
307.08374	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
56.96566	5.9
57.03428	4.2
58.43404	1.0
61.02928	6.7
66.92474	1.1
69.03424	7.2
70.03738	1.6
70.05103	3.8
70.06583	3.0
70.98808	1.0
70.99846	2.2
72.08150	2.0
73.02924	7.4
77.00898	2.1
81.03431	2.7
82.99807	5.7
83.05011	1.2
84.08141	2.6
85.02914	13.5
89.00897	1.8
91.02479	1.5
94.93007	1.2
97.01396	3.8
97.02886	5.3
98.97596	5.9
99.04486	2.3
101.00881	52.0
102.95076	1.0
105.02814	1.1
109.02838	1.3
110.01264	1.7
110.97569	1.6
113.00867	5.7
115.02436	19.1
116.98596	2.3
117.04070	1.5
119.01922	100.0
121.01606	1.2
123.02893	1.2
127.02431	2.1
127.03912	12.2
128.02338	3.2
128.98587	2.2
129.03957	8.4
129.10214	1.7
131.01909	15.3
133.03476	29.7
135.05067	2.0
137.02950	18.2
137.05956	4.8
142.03506	2.3
143.00188	1.6
143.01894	19.0
144.02026	1.6
144.99812	4.7
145.03458	6.5
145.04906	2.0
146.99637	2.3
147.01344	2.3
147.05045	7.7
149.02954	4.6
151.04524	3.8
154.02866	1.8
155.01889	3.4
157.03497	6.0
157.07550	1.5
159.01399	3.3
161.02943	43.6
162.03099	1.7
168.99800	12.3
171.01329	5.7
173.02950	11.9
174.03023	1.5
174.04492	1.5
175.00896	1.6
175.04480	2.7
177.00665	1.1
177.02412	2.6
177.04048	1.9
179.02274	1.5
179.04012	3.3
181.03496	1.4
183.02374	2.0
183.05017	5.5
183.55161	2.7
184.04897	1.8
185.01476	1.3
185.02954	6.5
186.04675	1.9
187.00894	32.2
187.02606	1.7
187.04446	1.6
189.00768	1.8
189.02425	11.5
190.04028	5.8
190.98743	1.7
191.04013	11.2
191.54021	1.5
192.05573	4.1
192.55667	5.2
193.00142	1.4
193.05603	3.4
196.97838	1.4
196.99280	6.5
198.55679	1.4
199.00917	8.4
199.04510	3.8
199.06262	1.7
199.63087	1.2
201.02490	3.7
203.00288	1.4
203.02274	1.4
203.04065	4.8
205.02005	10.3
207.03581	2.9
208.99680	1.5
213.03365	4.2
215.00372	39.3
215.03629	1.5
217.01927	11.4
217.05502	1.5
219.01718	1.0
219.03578	8.1
221.05072	4.2
222.03809	2.7
223.02946	2.1
227.04115	1.7
229.01918	14.0
231.03537	2.7
233.01498	2.0
237.02786	1.5
239.06105	3.8
241.02075	1.4
247.03024	40.8
257.01620	2.3
259.03030	2.4
265.04013	9.0
284.82034	1.2
289.04022	9.9
289.07208	4.8
307.05228	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	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
50.47678	1.0
53.41120	1.1
55.01881	1.4
55.05514	5.7
56.96528	1.1
57.07079	6.4
59.04988	3.2
60.80242	1.1
66.54758	1.1
67.05508	12.7
69.03451	2.6
69.07073	9.5
69.69850	4.1
69.70256	1.6
71.04984	2.2
79.05488	11.9
81.07054	13.1
83.04959	4.0
83.08600	2.3
85.02927	1.2
85.06537	4.1
85.79508	1.0
89.68262	1.2
91.05483	12.3
91.29400	1.1
93.07045	20.3
95.04974	15.6
95.08605	16.9
97.06534	12.7
103.05466	1.4
105.07041	17.9
107.08601	23.3
109.06503	6.2
109.10162	11.2
111.08067	1.3
113.40417	1.2
115.05436	1.8
117.07015	7.0
119.08585	22.2
121.06489	3.8
121.10143	19.4
123.08065	4.4
123.11668	3.2
125.09650	1.8
128.06239	1.3
129.07018	6.3
130.07780	1.8
131.08562	18.6
133.06508	1.3
133.10138	14.6
134.10905	2.5
135.08063	5.4
135.11684	6.5
137.09637	2.3
139.07521	1.8
141.06987	2.6
142.07758	5.0
143.08554	13.4
144.09346	3.0
145.06573	1.1
145.10126	20.6
145.11230	0.8
147.08028	3.5
147.11717	6.8
149.05978	2.9
149.09607	11.9
149.13274	2.7
151.11116	1.9
153.09056	2.8
155.08565	3.4
156.09315	6.1
157.10146	16.8
158.10925	6.1
159.11699	18.6
161.09599	5.6
161.13246	5.6
163.11166	1.6
168.09319	1.1
169.10161	5.8
170.10925	6.2
171.08035	1.9
171.11696	17.6
172.12468	2.8
173.09633	3.4
173.13260	20.6
175.01598	1.3
175.11214	2.2
175.14830	2.9
177.12817	1.6
180.09221	1.2
181.10146	2.8
182.10919	1.8
183.11723	4.8
184.12444	1.4
185.09634	1.8
185.13232	11.9
186.14044	3.3
187.11227	5.7
187.14859	9.3
189.12759	5.1
191.07030	12.6
191.10641	4.9
191.14301	4.8
193.10156	1.3
195.11700	6.6
196.12466	1.7
197.09563	1.8
197.13257	2.2
198.10362	1.8
198.14046	1.3
199.11235	2.9
199.14830	4.7
201.12846	1.7
201.16403	2.5
203.14383	5.5
205.12306	1.3
207.11629	1.4
209.13211	3.3
211.14873	5.3
213.12775	15.2
213.16266	1.4
217.12279	1.8
219.13785	1.8
221.13280	1.2
227.14308	4.6
227.18008	1.9
229.15895	4.3
231.13789	11.3
237.12166	1.1
241.15935	1.5
241.19522	4.0
251.17998	4.1
269.19006	45.7
287.05487	10.4
287.08060	1.4
287.13229	8.7
287.16592	3.2
287.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05516	2.2
56.05042	1.3
56.96570	13.6
57.03424	1.0
60.04545	1.2
61.02929	1.6
62.28408	0.8
63.00041	1.1
66.82378	0.6
68.31421	0.6
69.03426	3.5
69.04611	0.7
69.07079	1.7
69.97160	3.7
70.06599	100.0
70.98121	2.1
71.06937	2.4
71.95262	0.8
72.08160	9.3
73.02927	1.9
73.06544	1.2
74.06074	0.7
74.97675	0.9
79.05505	2.0
81.03405	1.0
81.07067	1.1
84.04520	2.7
84.08160	6.4
84.95992	1.0
85.02905	5.4
86.09731	3.9
87.10040	0.8
91.05499	1.2
95.06086	1.1
96.06895	1.7
97.02917	2.5
98.21426	0.9
98.97588	8.9
98.98541	1.0
99.04511	0.8
101.02423	0.8
107.05028	0.8
107.06114	1.4
110.07166	1.7
110.97582	1.8
111.04506	0.9
112.07613	82.4
113.07957	1.3
115.08652	0.7
116.07121	1.9
116.98597	4.2
119.01888	1.1
119.04973	0.9
123.04413	1.1
125.06197	1.3
125.07129	10.3
127.03970	2.2
128.02386	1.3
128.98627	2.7
129.10252	2.3
129.59131	0.7
130.05046	2.4
134.99669	0.9
137.06021	2.1
140.01682	0.8
140.07076	58.7
143.00215	1.5
143.11841	1.6
146.99712	2.6
153.01868	1.8
155.04747	0.8
157.06538	0.7
158.02754	0.8
158.99712	2.6
161.04753	2.5
161.05963	0.7
162.05331	1.0
163.02690	0.9
163.03970	1.6
165.00745	1.4
171.07683	4.7
177.00821	2.1
181.37769	0.8
185.01285	1.3
186.99191	0.9
189.00735	0.9
191.05927	0.8
193.04463	0.8
197.05603	0.8
201.01019	0.7
203.02309	5.4
205.00305	1.9
211.42834	0.9
213.05580	1.2
215.06657	0.8
219.01805	1.6
221.03304	1.6
223.01294	1.3
224.26224	0.7
237.02972	1.1
239.15182	0.9
241.11896	1.0
245.03300	1.5
263.04388	3.6
269.04498	1.4
269.11765	1.0
269.15112	1.5
270.29916	0.8
281.05548	1.1
287.05508	15.8
287.10754	6.7
287.16263	4.5
309.08414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2008
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03938	2.0
55.01868	2.5
55.05512	9.8
57.03425	1.8
57.07076	4.5
59.04994	1.6
65.03936	1.8
65.91977	1.0
67.05508	15.8
69.03409	3.4
69.07067	13.7
71.05003	3.0
71.08626	0.9
79.05500	16.9
81.07062	17.9
81.57213	1.1
83.04979	3.9
83.08620	5.2
85.06541	4.4
91.05481	17.4
93.06487	2.1
93.07050	32.0
95.04977	14.2
95.08610	24.0
97.06552	11.5
99.08138	1.5
105.06397	2.0
105.07038	21.6
107.04939	1.2
107.08604	31.3
109.06516	4.9
109.10165	14.4
111.04457	2.2
111.08094	2.2
111.98363	1.3
115.05468	1.5
117.07025	9.7
119.07720	1.3
119.08581	22.2
121.06495	4.0
121.10152	32.2
123.04427	1.3
123.08071	4.1
123.11696	4.9
125.05995	3.1
125.09621	3.6
128.06232	2.2
129.06989	5.4
130.07732	2.1
131.04980	1.3
131.08574	18.9
133.06508	1.5
133.10139	17.0
134.10959	1.3
135.04390	1.5
135.08049	3.8
135.11687	12.5
137.09630	2.5
137.13225	1.1
139.07474	2.4
142.07793	6.9
143.08559	11.5
144.09335	3.9
145.06491	1.9
145.10132	17.1
147.08052	3.1
147.11691	9.2
149.05969	3.8
149.09625	9.3
149.13249	3.3
151.11279	1.3
153.09119	4.3
155.08521	3.5
156.09319	6.3
157.10143	13.5
158.10931	4.0
159.08047	1.5
159.11700	16.2
161.05960	1.4
161.09641	4.5
161.13251	4.9
163.11259	1.8
169.10167	4.0
170.10918	4.5
171.08092	2.0
171.11688	14.3
172.08937	1.4
172.12410	1.8
173.09621	4.4
173.13268	16.8
175.11198	3.8
175.14822	2.7
177.06758	6.4
179.10646	2.1
180.09361	1.5
181.10100	2.4
183.11711	3.5
184.12433	1.4
185.09677	3.5
185.13260	12.9
186.13992	4.0
186.63446	1.1
187.11230	5.4
187.14836	7.0
189.12737	4.8
189.16444	1.3
191.07021	21.3
191.08670	1.9
191.10670	11.7
191.14337	3.3
193.12218	2.3
195.11679	4.5
196.12416	1.6
197.13354	1.8
198.10419	2.2
199.11229	2.3
199.14900	3.0
201.12862	2.1
201.16389	2.4
203.10707	3.5
203.14333	5.6
205.12267	3.3
209.13260	1.8
211.14848	4.5
213.12755	11.4
213.16301	1.7
217.12175	5.5
219.13728	1.6
225.16414	2.3
227.14282	4.8
229.15857	3.8
231.13870	11.6
241.15892	2.5
241.19449	5.7
245.15393	2.0
251.17931	2.3
269.19016	37.2
287.05521	12.9
287.08063	1.5
287.13123	13.2
287.16595	4.6
287.20074	100.0
287.23593	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	287.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05505	4.5
56.05030	3.8
56.96569	78.0
57.03438	10.0
61.02925	12.1
65.03914	1.7
67.05498	5.6
69.03436	26.7
69.07050	1.5
70.06598	49.0
70.98119	6.1
71.01356	1.9
71.04984	4.6
71.06925	3.3
71.51771	2.3
71.95261	2.1
72.08158	20.2
73.02925	13.2
74.06103	2.8
74.97626	2.8
76.42004	1.7
79.05504	2.2
81.03430	11.4
81.07056	2.7
83.04988	4.6
83.06094	2.3
84.04500	7.3
84.08140	21.2
84.96024	7.1
85.02910	55.9
85.06539	3.7
86.09693	5.5
87.04463	4.9
88.03986	2.2
88.99177	2.8
89.03902	1.8
90.04144	1.5
91.03907	1.6
91.05495	2.0
95.04975	5.6
95.06137	1.7
97.02892	21.8
98.97591	65.8
99.04456	7.6
106.06579	4.3
107.04964	4.7
107.06178	2.4
107.06901	7.0
109.02895	4.7
110.01321	5.1
110.06055	1.8
110.07163	9.0
110.97566	13.1
111.07497	3.9
112.07615	22.9
112.08752	3.0
112.99122	2.1
113.06040	4.3
116.07110	3.9
116.98642	24.1
119.01820	12.0
121.02884	2.2
124.03970	2.8
124.07605	5.5
124.99150	3.4
125.01774	2.1
125.05936	1.5
125.07116	5.6
125.07940	4.5
126.97002	2.0
127.00652	2.0
127.01536	2.6
127.03932	16.4
128.00204	1.6
128.02325	5.5
128.98596	17.9
129.10251	3.1
130.93320	4.3
131.00145	3.6
131.01828	2.8
132.98155	2.6
134.02336	2.3
134.99651	7.8
135.04422	3.5
136.06168	2.7
137.06004	3.7
139.00641	2.2
139.01555	2.4
140.07083	16.5
140.98602	7.3
141.02252	2.4
143.00192	7.5
143.11832	2.2
145.01784	3.3
145.04964	8.6
146.02313	2.8
146.99629	11.5
147.03255	4.3
150.99153	4.7
152.02335	3.0
152.04167	2.5
152.98601	2.1
153.05498	1.9
154.01988	2.4
155.00150	2.7
157.01707	2.4
158.99666	22.0
159.03279	5.3
160.01930	2.0
161.01248	7.7
161.02815	5.8
161.04698	4.8
162.00885	3.3
163.02745	3.5
163.03845	10.5
164.12692	6.0
165.00717	3.2
167.02936	2.0
168.98064	2.0
170.99631	8.8
171.07736	2.0
172.94376	4.6
173.01204	3.5
173.02718	2.0
173.06644	3.7
174.03616	2.1
174.99141	6.3
175.02791	2.9
175.04417	3.5
176.03484	2.4
177.00745	22.9
177.04362	4.9
182.03349	5.5
182.99673	3.8
183.04198	4.4
184.04266	2.5
185.01224	6.1
185.02914	1.8
186.99188	4.8
187.02867	2.3
188.03433	5.1
189.00722	10.3
189.04385	2.2
189.05995	2.6
190.03120	2.1
190.95407	6.0
190.98596	2.7
191.02373	3.7
191.03897	10.0
193.00212	8.6
197.03867	13.5
197.07793	1.8
200.04427	10.6
201.00653	8.9
201.04364	3.2
203.02293	17.9
203.03949	2.8
205.00267	4.4
205.03784	2.0
206.02682	2.7
206.04404	22.7
206.06189	2.0
207.01726	2.2
208.96527	3.2
209.05081	2.7
211.03619	2.1
212.04309	2.3
217.00218	4.9
217.03876	2.1
219.01686	11.5
219.05411	2.5
220.99779	2.9
221.03317	4.0
221.05109	4.0
221.27672	1.7
223.01268	2.6
229.03740	2.1
230.98010	2.0
231.01740	2.0
231.05138	2.2
232.96466	8.3
233.03419	6.5
235.01265	7.1
237.00674	2.4
237.02817	7.5
237.64311	2.1
244.99617	2.2
245.03317	6.3
249.02808	3.2
250.97490	3.2
251.04495	2.0
259.01230	3.4
259.06653	3.5
263.00784	5.9
263.04242	8.7
273.02658	3.9
281.05475	4.0
287.04822	8.1
287.11020	100.0
287.17950	13.9
298.85397	2.0
305.07300	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01887	0.1
55.05500	0.2
57.03431	0.1
58.06590	0.1
65.03937	0.3
67.01867	0.3
67.05507	0.5
68.99794	1.9
69.03416	0.2
69.07063	0.2
70.16253	0.2
71.01346	0.1
71.04996	0.1
79.05493	0.9
81.03428	0.5
81.07059	0.6
83.01337	0.1
83.04955	0.1
83.08621	0.2
84.08150	0.1
91.05473	0.3
93.07047	0.3
94.04192	0.1
95.01320	0.1
95.04944	0.3
95.08607	0.2
97.02888	0.1
97.06517	0.3
103.05458	0.2
105.03393	0.7
105.07012	0.2
107.04957	1.2
107.08599	0.2
109.02880	0.6
109.06541	0.1
109.10168	0.2
111.00807	1.4
111.04436	0.2
111.08025	0.1
115.05466	0.2
117.07020	0.2
119.04945	0.1
119.08546	0.2
121.02869	6.4
121.06481	0.2
121.10117	0.1
121.29305	0.1
125.09630	0.1
127.03946	0.2
128.06226	0.1
129.06984	0.4
131.08545	0.1
133.02859	0.9
133.10139	0.1
135.04440	0.4
135.08075	0.1
135.11670	0.1
137.02345	1.9
139.05441	0.1
141.06989	0.3
143.04910	0.1
143.08562	0.1
145.06497	0.5
145.19107	0.1
147.04408	1.3
147.08098	0.1
149.05965	0.1
149.13304	0.1
153.01830	9.8
155.06007	0.1
157.06487	1.2
159.08052	0.1
159.11673	0.1
161.02335	0.1
161.05956	0.4
163.03885	0.1
165.01840	3.5
166.02663	0.1
167.07323	0.1
168.05702	0.1
169.06487	0.2
171.03018	0.1
171.04399	0.7
173.05945	0.1
175.03903	0.1
175.07623	0.1
179.03317	0.1
179.23840	0.1
181.08505	0.1
183.02899	1.5
183.04517	0.1
184.05223	0.1
185.05972	1.2
189.05475	0.2
194.02121	0.1
195.13844	0.1
196.11176	0.1
197.06021	0.2
197.11543	0.3
199.03944	0.1
201.05548	0.1
203.03462	0.2
203.07053	0.3
213.05470	2.8
214.06107	0.1
215.12605	0.2
216.04187	0.2
217.04962	0.2
219.06541	0.1
227.14305	0.1
229.04951	0.4
231.06514	1.4
241.04962	1.7
242.05685	0.1
243.06496	0.2
245.04323	0.1
257.04456	0.1
258.05231	2.2
259.06055	0.8
263.05505	0.1
268.26471	0.1
269.04413	0.4
269.17542	0.1
269.26733	0.1
270.05215	0.1
286.27509	0.4
287.05493	100.0
287.27710	0.3
288.05829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01887	0.1
55.05500	0.2
57.03431	0.1
58.06590	0.1
65.03937	0.3
67.01867	0.3
67.05507	0.5
68.99794	1.9
69.03416	0.2
69.07063	0.2
70.16253	0.2
71.01346	0.1
71.04996	0.1
79.05493	0.9
81.03428	0.5
81.07059	0.6
83.01337	0.1
83.04955	0.1
83.08621	0.2
84.08150	0.1
91.05473	0.3
93.07047	0.3
94.04192	0.1
95.01320	0.1
95.04944	0.3
95.08607	0.2
97.02888	0.1
97.06517	0.3
103.05458	0.2
105.03393	0.7
105.07012	0.2
107.04957	1.2
107.08599	0.2
109.02880	0.6
109.06541	0.1
109.10168	0.2
111.00807	1.4
111.04436	0.2
111.08025	0.1
115.05466	0.2
117.07020	0.2
119.04945	0.1
119.08546	0.2
121.02869	6.4
121.06481	0.2
121.10117	0.1
121.29305	0.1
125.09630	0.1
127.03946	0.2
128.06226	0.1
129.06984	0.4
131.08545	0.1
133.02859	0.9
133.10139	0.1
135.04440	0.4
135.08075	0.1
135.11670	0.1
137.02345	1.9
139.05441	0.1
141.06989	0.3
143.04910	0.1
143.08562	0.1
145.06497	0.5
145.19107	0.1
147.04408	1.3
147.08098	0.1
149.05965	0.1
149.13304	0.1
153.01830	9.8
155.06007	0.1
157.06487	1.2
159.08052	0.1
159.11673	0.1
161.02335	0.1
161.05956	0.4
163.03885	0.1
165.01840	3.5
166.02663	0.1
167.07323	0.1
168.05702	0.1
169.06487	0.2
171.03018	0.1
171.04399	0.7
173.05945	0.1
175.03903	0.1
175.07623	0.1
179.03317	0.1
179.23840	0.1
181.08505	0.1
183.02899	1.5
183.04517	0.1
184.05223	0.1
185.05972	1.2
189.05475	0.2
194.02121	0.1
195.13844	0.1
196.11176	0.1
197.06021	0.2
197.11543	0.3
199.03944	0.1
201.05548	0.1
203.03462	0.2
203.07053	0.3
213.05470	2.8
214.06107	0.1
215.12605	0.2
216.04187	0.2
217.04962	0.2
219.06541	0.1
227.14305	0.1
229.04951	0.4
231.06514	1.4
241.04962	1.7
242.05685	0.1
243.06496	0.2
245.04323	0.1
257.04456	0.1
258.05231	2.2
259.06055	0.8
263.05505	0.1
268.26471	0.1
269.04413	0.4
269.17542	0.1
269.26733	0.1
270.05215	0.1
286.27509	0.4
287.05493	100.0
287.27710	0.3
288.05829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.72195	0.1
53.03937	0.2
55.01881	0.2
65.03951	0.3
67.01855	0.2
68.98089	0.1
68.99794	1.7
69.03429	0.2
69.40542	0.4
69.40960	0.6
79.05489	0.6
80.65767	0.1
81.03406	0.6
81.69921	0.1
85.02899	0.2
86.09696	0.2
91.05476	0.3
91.17181	0.1
95.04981	0.2
97.02896	0.2
103.05450	0.3
105.03393	0.9
105.89211	0.1
107.04966	1.3
109.02873	0.5
109.30680	0.2
111.00824	1.2
111.04444	0.4
115.05443	0.3
121.02876	6.2
121.03911	0.3
127.03950	0.2
129.07016	0.3
133.02884	1.0
135.04422	0.5
135.08060	0.2
137.02338	2.1
141.06993	0.4
142.72380	0.2
145.06474	0.5
147.04410	1.2
151.03857	0.2
153.01837	9.8
155.06053	0.1
157.06474	1.1
161.05882	0.2
165.00563	0.3
165.01860	3.4
171.04446	0.6
183.02902	1.7
185.05978	1.1
189.05534	0.3
197.06091	0.2
203.03404	0.2
203.07079	0.3
213.05495	3.2
217.04980	0.2
229.05003	0.4
231.06607	1.3
241.05011	1.7
242.11713	0.2
243.06734	0.2
258.05298	2.0
259.06146	1.0
269.04501	0.4
270.11279	0.3
287.05511	100.0
288.05957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01844	0.1
63.35355	0.1
65.03943	0.2
67.01862	0.2
68.79193	0.1
68.99791	1.7
69.03416	0.3
69.44490	0.2
69.44901	0.7
79.05504	0.6
81.03410	0.4
86.09685	0.2
91.05473	0.1
95.04956	0.2
95.08566	0.1
103.05451	0.3
105.03394	0.8
107.04958	1.0
109.02859	0.6
111.00808	1.8
111.04430	0.2
115.05517	0.1
117.06990	0.2
117.60429	0.1
119.04929	0.1
121.02872	6.1
121.03925	0.4
121.06408	0.1
127.03883	0.2
129.07028	0.4
133.02863	1.0
135.04390	0.4
135.08104	0.1
137.02345	2.0
141.06979	0.3
145.06505	0.6
147.04414	1.3
149.02350	0.1
153.01836	9.8
157.06480	1.2
161.05986	0.3
163.03925	0.1
165.01836	3.4
169.06502	0.2
171.04425	0.7
173.05968	0.1
183.02882	1.5
185.05974	1.2
189.05484	0.4
197.06029	0.4
199.03944	0.1
201.05399	0.1
203.03455	0.3
203.07126	0.2
213.05475	3.1
217.04974	0.1
229.04991	0.4
231.06523	1.1
241.04948	1.3
258.05240	2.2
259.06097	0.8
269.04507	0.3
287.05502	100.0
288.05801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01863	0.2
57.03444	0.1
58.30095	0.1
65.03916	0.2
65.41771	0.1
67.01858	0.2
67.05505	0.1
68.99443	0.2
68.99792	1.9
69.03422	0.3
69.07070	0.1
69.48377	0.6
71.04990	0.1
72.08134	0.1
79.05492	0.6
81.03426	0.6
81.07054	0.2
82.03742	0.2
83.08611	0.1
84.08138	0.1
84.69933	0.1
85.02913	0.1
86.09707	0.3
91.05484	0.2
93.36870	0.1
95.04965	0.3
95.08675	0.1
97.02895	0.1
97.06519	0.3
103.05464	0.2
105.03391	0.8
105.07021	0.3
107.04969	1.1
109.02886	0.7
111.00815	1.4
111.04430	0.3
115.05478	0.1
117.07013	0.2
119.04967	0.2
119.08577	0.1
121.02876	6.2
121.03930	0.4
121.06496	0.1
127.03924	0.2
128.06218	0.1
129.07007	0.3
131.04968	0.1
133.02870	1.0
135.04408	0.4
135.08109	0.1
137.02345	2.1
139.05455	0.1
141.06993	0.2
145.06474	0.4
147.04405	1.2
147.11714	0.1
149.09660	0.1
153.01839	9.5
157.06490	1.2
161.06018	0.3
165.01843	3.7
169.06502	0.2
171.04393	0.6
173.06062	0.1
175.03914	0.2
175.07635	0.1
183.02913	1.4
185.05988	1.1
188.36598	0.1
189.05486	0.2
193.12219	0.1
195.12704	0.1
197.05959	0.2
199.03958	0.1
203.03459	0.2
203.07056	0.3
212.04628	0.1
213.05475	3.1
216.04187	0.1
217.04977	0.2
229.04912	0.4
231.06564	1.0
231.87175	0.1
241.04951	1.6
243.06387	0.2
245.04507	0.1
254.20792	0.1
258.05280	2.2
259.06009	0.8
263.05508	0.1
269.04465	0.4
269.16824	0.1
270.05212	0.1
277.80051	0.1
286.04593	0.1
287.05508	100.0
288.05865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05276	0.5
55.05516	6.1
55.94456	0.3
57.07077	1.0
65.03946	0.6
66.55780	0.4
67.05509	16.5
69.07071	4.5
77.03934	0.6
79.05501	9.2
81.07059	34.2
83.08160	0.7
83.08628	10.3
91.05479	6.7
93.07050	22.7
95.04971	0.6
95.08614	31.1
97.10168	1.8
98.21517	1.1
105.07034	11.0
107.08602	19.1
109.10163	24.1
111.11731	0.5
113.19129	0.4
117.07030	0.6
119.08588	11.6
121.10151	35.0
122.80306	0.4
123.11713	10.8
131.08557	1.6
133.10139	10.8
135.11697	23.9
137.13287	3.4
145.10132	2.5
147.11705	12.0
149.13269	16.7
151.14824	1.2
159.11641	1.9
161.13271	12.2
163.14838	12.4
165.16423	0.4
173.13283	1.8
175.13306	0.9
175.14838	17.6
177.16397	5.2
181.31308	0.4
187.14815	1.4
189.16399	11.3
191.17946	0.9
201.16394	4.9
203.17975	12.0
215.17989	4.1
217.19606	1.1
222.39893	0.4
224.35164	0.5
229.19499	3.8
230.33232	0.4
243.21098	0.9
269.59598	0.4
285.07645	0.9
285.25775	100.0
286.26135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26107	0.3
53.03936	0.4
54.88709	0.3
55.05513	7.8
57.03425	1.2
57.07069	1.3
60.08156	1.3
65.03932	0.8
67.05510	17.4
69.06733	0.5
69.07076	5.8
71.08639	0.5
75.72308	0.3
77.03928	0.4
79.05497	9.9
81.03426	3.1
81.07061	33.6
83.04977	0.6
83.08623	11.8
85.02907	1.8
91.04919	0.4
91.05486	7.2
93.07050	22.6
95.04987	1.5
95.08614	31.9
97.10192	2.0
105.04551	0.5
105.07040	12.7
107.04975	0.4
107.08604	18.5
109.06529	0.4
109.10164	23.8
111.08092	0.8
117.07019	0.9
119.08588	11.8
121.10152	37.3
123.08081	0.3
123.11711	10.4
129.06969	0.5
131.08594	2.7
133.07841	0.3
133.09117	0.7
133.10143	12.1
135.11700	24.1
137.13252	2.8
142.64905	0.4
145.10103	2.3
147.11699	12.2
149.09702	0.3
149.13266	14.9
151.14816	1.0
156.71829	0.3
157.10162	0.7
159.11710	2.6
161.13263	12.7
163.14833	11.3
173.13272	1.3
175.11263	0.5
175.14838	17.6
177.16394	4.3
182.71045	0.4
187.14856	1.7
189.16394	10.6
189.72891	0.3
191.17889	0.8
193.12267	2.7
201.16383	4.2
203.17964	10.3
211.13287	1.6
211.31895	0.5
215.17957	4.5
217.19504	1.3
229.19527	3.2
229.35313	0.4
242.05708	1.0
243.21086	0.7
254.09338	0.5
267.15765	0.5
270.05231	0.5
270.08380	0.3
285.07587	4.2
285.11099	1.7
285.16968	2.5
285.25778	100.0
285.33273	7.7
286.26129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
56.96571	10.6
57.03428	1.1
57.07061	0.7
59.05004	2.2
61.02929	5.5
67.19661	0.5
68.05021	0.7
69.03430	1.1
69.72894	3.1
70.06599	12.9
70.98103	0.7
71.05000	4.6
72.08157	1.2
73.02919	0.5
79.05505	1.5
81.04537	1.0
81.07061	11.1
82.05320	0.9
83.06114	9.4
84.08152	1.1
84.10480	0.5
85.02911	1.6
86.80629	0.5
86.97619	0.6
87.08115	1.2
93.04530	6.7
95.06100	13.3
97.02909	1.1
98.97584	4.3
107.06100	1.9
110.07173	100.0
110.97594	1.5
111.05562	1.2
112.07611	10.9
112.08749	3.0
112.99096	0.6
114.89342	0.5
116.07099	0.9
116.98631	1.1
121.07657	1.5
122.97586	1.6
123.78843	0.5
124.07623	0.8
124.40292	0.6
127.03906	0.5
128.98643	1.3
132.98088	1.1
138.06650	0.6
139.04994	0.6
140.07071	8.1
140.98587	2.4
143.03767	0.5
150.99188	0.6
156.03291	2.1
156.07695	13.2
157.09749	0.7
158.99681	2.8
161.04848	0.8
163.03961	0.8
163.12315	52.2
166.06151	2.4
168.03427	0.8
174.04431	1.5
174.99146	1.4
177.00734	1.8
180.12637	0.9
186.04443	3.6
190.13402	9.1
193.13426	1.3
202.98701	3.4
204.05367	1.2
208.14476	12.0
209.12819	0.8
210.16138	0.7
212.15215	1.2
219.01845	0.7
219.11371	2.8
220.99780	3.7
224.07716	0.6
236.13956	8.7
240.17088	7.6
254.15021	21.6
263.00610	0.7
263.04440	1.0
268.16599	1.3
286.17630	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.65521	1.8
55.01854	2.8
55.05514	16.2
57.07078	2.4
60.12641	1.8
64.06531	1.6
67.05509	17.5
69.07072	45.9
69.15829	9.4
69.16262	9.0
71.04984	7.1
74.32811	1.8
79.05497	13.8
81.07066	29.9
83.04987	4.0
83.08619	6.4
83.34012	2.0
89.27435	1.7
91.05487	21.1
93.07050	30.7
95.04967	7.4
95.08615	35.6
97.06544	21.3
97.10162	6.1
98.21555	3.4
99.08154	2.8
105.07041	61.6
107.08604	35.5
109.06521	19.1
109.10169	24.3
111.08129	4.6
111.11695	2.5
117.07038	5.0
118.21567	2.2
119.08593	66.9
121.06516	9.5
121.10167	23.7
123.08119	4.3
123.11713	19.1
123.65269	1.6
129.06981	2.5
131.08571	9.8
133.10136	47.3
135.08061	8.2
135.11728	13.3
137.09630	3.6
137.13272	3.6
143.08565	5.3
145.10141	17.7
146.07275	6.2
147.08072	3.4
147.11711	17.7
149.09688	2.4
149.13251	4.8
155.08595	3.7
156.09328	2.0
157.10114	9.8
159.11678	9.3
161.09630	100.0
161.13280	4.7
169.10167	6.4
170.10904	2.2
171.11685	5.1
173.13289	6.4
175.11252	3.2
175.14844	58.4
177.16414	10.6
182.10918	3.3
183.11723	5.1
185.13277	11.5
187.14783	2.2
189.16385	4.1
193.15898	11.0
197.13255	8.0
199.14870	3.3
201.16356	3.3
203.14215	2.4
203.18011	3.1
211.14847	12.3
215.18015	3.8
267.21234	11.0
285.07724	3.9
285.22137	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	285.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05511	8.5
57.07078	1.0
63.32001	0.5
65.03941	0.6
67.05511	17.7
69.07071	5.2
77.07187	0.5
79.05070	0.8
79.05498	10.8
81.07062	36.3
83.08621	9.9
87.63022	0.5
88.44028	0.4
91.05483	7.6
93.07050	22.4
95.04975	0.4
95.08613	34.7
97.10173	2.4
98.21548	1.0
105.07039	13.9
107.08598	19.2
108.88102	0.4
109.10168	27.3
117.07011	1.1
119.07715	0.6
119.08581	13.0
121.10150	34.7
123.07292	0.4
123.11714	12.3
131.08571	2.1
133.10147	11.9
135.11702	22.2
137.13216	3.7
145.10120	2.6
147.11697	15.1
149.13271	16.8
151.14865	1.2
157.10081	0.5
159.11658	2.5
161.13277	14.3
163.14835	12.3
173.13286	1.9
175.14841	19.1
177.16425	4.0
187.14839	2.2
189.16397	13.6
191.17891	0.6
201.16377	5.8
203.17966	12.3
215.17969	4.8
217.19469	1.5
229.19531	5.3
238.49376	0.5
243.21095	1.8
252.35530	0.5
254.09586	0.5
257.22424	0.5
285.07800	0.8
285.11011	1.1
285.25781	100.0
286.26062	1.2
286.41949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99834	0.3
53.03946	1.3
55.05269	0.5
55.05513	7.1
57.07061	1.2
63.10906	0.3
67.05508	16.5
69.06730	0.5
69.07069	4.8
70.13417	0.4
70.13712	1.6
77.03941	0.4
79.05499	8.6
81.03406	0.8
81.07061	32.0
83.04952	0.4
83.08154	0.6
83.08623	10.1
85.02858	0.5
91.05482	6.3
93.07050	22.7
95.04979	1.1
95.08610	32.3
97.10161	2.5
105.06323	0.4
105.07038	11.5
107.08598	17.6
109.10159	22.9
111.11644	0.5
117.06989	0.6
119.08588	11.6
121.10151	36.7
123.10829	0.7
123.11709	11.6
131.08557	1.5
133.09126	0.7
133.10136	12.5
135.11693	23.7
137.13275	3.0
145.10123	2.2
147.11691	11.8
149.13271	16.3
151.14825	1.4
159.11700	1.7
161.13269	12.4
163.14836	10.9
173.13290	1.5
175.14832	19.6
177.16420	4.3
187.14856	1.7
189.16391	11.2
191.17932	1.0
193.12192	0.9
201.16386	4.2
203.17967	10.9
211.13264	0.5
215.17950	4.2
217.19484	0.8
229.19519	4.4
242.05580	0.4
257.22775	0.5
285.07602	1.3
285.10892	0.7
285.25769	100.0
286.26141	1.0
286.31232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
53.46196	1.0
53.65762	1.0
54.43204	0.9
55.01871	3.7
55.05516	8.3
56.96564	4.6
57.03436	6.5
57.07077	2.5
58.44004	1.0
59.50321	0.9
63.00055	1.5
67.05509	17.2
69.03429	3.1
69.07073	10.6
69.07425	1.6
70.06596	1.3
70.63642	2.4
71.04996	1.8
75.04485	1.1
76.17391	1.1
79.05500	17.0
81.03423	100.0
81.07059	19.7
83.04982	6.7
83.08621	21.5
85.02908	5.1
88.03872	0.9
91.05489	19.1
93.07050	10.5
95.04972	30.2
95.08615	10.9
96.36608	1.0
97.02896	3.6
97.06541	18.8
97.10155	2.8
98.98477	1.7
99.08113	1.0
105.07040	12.5
107.04954	6.6
107.08614	6.5
109.06525	3.9
109.10140	5.6
111.04476	2.0
111.08093	10.5
115.05397	2.4
117.07009	2.1
119.08581	14.5
121.06502	2.8
121.10156	8.7
123.08076	1.8
123.11712	3.5
128.06256	1.2
129.07005	8.3
131.08557	7.7
133.06497	3.2
133.10123	7.0
134.32405	1.1
135.11685	2.0
137.09648	2.0
142.07793	3.5
143.08496	2.3
145.10138	3.0
147.08051	2.7
147.11653	9.4
149.09633	4.4
151.11211	1.4
157.10139	12.7
159.08078	1.3
159.11722	2.3
161.06010	1.9
161.09718	1.6
163.03928	1.5
165.12755	3.3
171.11786	2.5
173.13365	1.6
175.11203	14.0
181.48376	1.2
183.11736	1.4
189.09140	2.0
190.98593	1.4
193.12254	57.4
199.07564	5.5
208.99757	2.6
211.07529	4.5
211.13239	7.3
225.09088	4.8
227.06805	1.9
239.07050	3.0
241.12274	3.7
242.05780	3.5
242.08983	3.7
243.06531	4.6
250.98750	1.0
253.08577	4.0
254.09354	7.2
255.06583	1.6
257.12891	1.7
259.09772	1.5
267.15933	14.5
270.05554	1.9
270.08759	4.5
285.07626	13.9
285.11157	18.1
285.18332	4.0
285.22241	2.8
285.25830	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01871	3.6
55.05517	7.7
56.96564	3.1
57.03447	7.2
63.00048	6.5
67.05508	15.1
69.03434	2.8
69.07071	6.2
71.04994	2.9
71.08643	1.0
71.52322	1.2
75.04485	0.9
78.96672	0.9
79.05498	16.3
81.03423	100.0
81.07063	15.6
83.05000	5.5
83.08630	21.7
83.09122	1.4
85.02899	3.5
85.06541	1.0
91.04918	1.2
91.05486	17.6
93.07049	8.3
95.04973	23.9
95.08616	8.5
97.02901	2.9
97.06538	13.9
97.10171	1.7
98.98476	6.2
105.07040	14.0
107.04945	7.7
107.08602	6.0
109.06530	4.2
109.10149	3.3
111.04473	2.3
111.08095	13.1
115.05475	2.1
117.07009	1.7
119.08601	12.6
121.06487	1.9
121.10151	6.7
123.11720	2.7
125.00008	2.5
128.06190	1.2
129.07018	10.9
131.08577	8.9
133.06523	2.4
133.10136	5.0
135.11714	1.7
137.09631	2.7
142.07770	2.4
145.10121	1.5
147.08058	3.5
147.11681	8.2
149.09592	5.1
155.08510	1.0
157.10107	10.1
157.11163	1.1
160.97670	2.5
161.06030	1.1
161.13321	0.9
163.11143	1.2
165.06990	1.3
165.12747	1.5
169.10136	1.1
175.11192	12.0
189.09125	1.1
193.12254	56.1
199.07559	1.6
210.06726	0.9
211.07545	2.0
211.13277	8.8
211.15005	1.1
222.96899	2.7
225.09096	2.1
227.06633	0.9
241.12187	2.4
242.05820	2.5
242.08986	1.7
243.06592	1.5
253.08594	4.0
254.09464	4.1
267.15918	14.3
270.05399	1.1
270.08679	1.5
284.96097	2.4
285.07614	9.5
285.11127	11.6
285.16931	5.0
285.22141	2.8
285.25955	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03935	2.9
55.01859	2.7
55.05518	10.2
57.03445	10.9
65.03970	0.9
67.05190	1.0
67.05513	14.9
69.03412	2.0
69.07060	2.8
69.21152	4.3
69.21574	2.7
71.04984	2.3
75.04485	1.0
76.71817	0.8
79.05496	14.9
81.03424	100.0
81.07064	17.0
83.04984	8.3
83.08624	21.4
85.02441	1.1
85.02911	13.7
91.05489	16.8
93.07058	9.5
95.04377	1.4
95.04978	25.3
95.08622	4.5
97.02889	3.2
97.06525	2.5
97.10140	1.4
98.20793	1.7
105.07037	14.5
107.04971	6.2
107.08645	5.2
109.06525	2.8
109.10126	1.7
111.04449	2.6
111.08093	12.5
113.06017	1.5
117.07009	1.1
119.04922	0.9
119.08587	12.4
121.06491	1.9
121.10147	8.2
123.08068	1.6
123.11736	0.8
126.00652	0.7
129.07021	8.0
131.08578	7.7
133.06516	2.8
133.10156	5.1
137.09583	1.8
142.07751	2.2
147.08044	3.4
147.11693	10.7
149.09628	6.2
157.10152	11.4
165.12764	2.9
169.08862	0.9
175.11203	17.0
193.12259	62.4
211.13315	16.9
212.14322	0.8
229.14326	2.4
254.09236	0.7
267.15921	15.6
285.07907	1.5
285.10989	1.7
285.16940	22.9
300.67859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03950	2.6
55.01861	2.2
55.05514	7.4
57.03441	9.6
63.63657	0.5
65.03936	0.7
67.05512	12.8
69.03445	2.7
69.07086	3.0
71.04988	2.2
71.40690	0.8
79.05497	12.9
79.05921	1.1
81.03423	100.0
81.07057	12.0
83.04987	5.7
83.08624	21.4
85.02913	9.3
91.04916	0.7
91.05493	14.8
93.07053	7.6
95.04373	1.3
95.04977	26.8
95.08619	4.7
97.02892	3.5
97.06528	1.1
97.10175	2.4
99.08177	0.7
105.07035	11.0
105.22369	0.6
107.04971	6.3
107.08595	3.5
109.06549	2.6
109.10151	1.7
111.04417	1.6
111.08092	10.5
113.06035	1.4
115.05457	1.3
117.07027	1.0
119.08586	10.4
121.06502	1.5
121.10153	6.1
123.08061	1.2
125.09703	0.6
129.07016	7.8
131.08565	7.4
133.06512	2.6
133.10126	4.7
137.09657	1.7
142.07817	1.7
145.10219	0.6
147.08113	2.9
147.11703	9.5
148.04765	0.7
149.09674	4.6
151.11172	0.6
157.10141	10.4
165.12729	3.1
168.08089	0.9
169.97632	0.5
175.11201	13.5
193.12256	59.7
211.13312	14.7
212.14404	0.8
229.14371	0.6
267.15930	14.6
285.11322	1.1
285.16974	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.96840	0.8
53.03949	4.1
55.01866	2.7
55.05519	9.7
57.03200	1.1
57.03444	15.1
65.03938	1.9
66.02452	0.7
67.05189	1.2
67.05512	16.7
69.03427	3.8
69.07072	3.7
70.48335	0.9
70.48694	2.6
71.04988	3.8
79.05041	0.6
79.05496	18.3
81.03425	100.0
81.07065	18.0
82.03718	0.8
83.04988	7.4
83.08628	24.4
85.02914	23.3
85.06509	1.6
91.04915	1.0
91.05491	23.8
93.07056	13.5
95.04977	29.1
95.08624	6.6
97.02891	2.2
97.06523	3.5
97.10158	2.4
99.08092	1.3
105.06331	0.8
105.07037	16.3
107.04959	6.8
107.08612	4.8
109.06496	4.0
109.10150	2.8
111.04453	2.4
111.08095	13.1
113.05994	1.7
115.05463	2.3
117.07012	2.3
118.87240	0.7
119.04867	0.8
119.08590	14.0
121.06501	1.7
121.10159	6.1
123.08061	2.1
129.07007	8.3
131.08574	10.0
133.06517	4.2
133.10147	7.2
137.09700	1.3
142.07756	2.5
147.08054	2.7
147.11699	11.0
149.09628	6.0
151.07526	0.9
157.10124	11.9
163.07542	1.5
165.12827	1.8
175.11201	16.4
193.12262	65.5
211.13332	22.9
254.09235	1.1
267.13394	1.3
267.15973	15.1
285.07767	1.7
285.10736	2.0
285.16977	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
54.57980	0.6
55.01870	1.8
55.05516	5.5
56.73970	0.5
57.03439	6.4
64.83061	0.6
67.05508	11.3
69.03428	1.6
69.07069	2.3
69.16212	0.5
70.21101	2.0
71.05005	1.6
79.05495	10.2
81.03420	100.0
81.07053	11.8
83.04977	4.8
83.08622	20.1
85.02912	4.7
91.05486	14.0
93.07064	6.3
93.17625	0.5
95.04974	25.7
95.08582	2.9
97.02911	2.2
97.06556	1.6
97.10184	1.1
105.07035	9.7
107.04967	5.6
107.08615	2.8
109.06533	2.9
109.10181	1.1
111.04495	1.1
111.08082	11.1
115.05407	0.9
117.07023	0.9
119.08594	8.4
121.06513	1.3
121.10158	5.2
123.08073	1.3
128.06204	0.5
129.07018	7.1
131.08566	6.6
133.06485	2.3
133.10149	3.4
137.09642	1.0
142.07790	2.5
145.10115	0.7
147.08072	2.3
147.11696	6.9
149.09615	4.1
157.10127	10.0
165.06941	0.6
165.12761	2.5
175.11183	12.8
193.12253	56.7
211.13293	8.3
212.14478	0.6
225.54121	0.6
267.15918	16.2
268.87460	0.7
285.07697	2.1
285.11197	1.0
285.16968	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01859	4.1
55.05516	9.3
57.03443	14.8
57.07050	1.9
63.88628	0.9
65.03930	1.2
67.05513	26.3
69.07071	11.5
69.33425	5.7
69.33841	2.2
71.04984	4.4
71.16541	1.0
79.05079	1.6
79.05500	20.8
81.03428	9.3
81.07061	57.6
83.04996	8.2
83.08631	7.2
85.02901	2.3
85.06563	4.6
87.04472	1.5
91.05493	31.4
92.40506	1.0
93.07050	15.2
95.04982	14.4
95.08617	13.8
97.02874	4.4
97.06538	14.5
99.08092	2.4
105.07040	32.3
107.04932	3.6
107.08601	14.0
107.91876	0.9
109.06528	9.4
109.10168	5.2
111.04409	1.8
111.08071	3.0
113.05978	3.3
115.05450	2.2
117.07032	1.8
119.08588	33.7
121.06519	1.7
121.10145	16.8
123.08055	3.4
123.11713	23.8
125.05936	1.4
125.09652	1.3
127.07543	2.3
129.07018	10.6
131.08575	9.1
133.06502	1.8
133.10156	12.8
135.08023	3.0
135.11722	1.9
137.13248	1.5
142.07773	3.5
143.08551	1.5
145.10114	3.0
147.08017	2.1
147.11699	77.1
149.09654	4.9
149.13232	1.3
151.11163	2.9
155.08559	1.4
157.10132	24.8
161.05962	1.1
165.06975	2.1
165.11418	1.9
165.12773	32.3
171.11703	1.5
175.11218	20.5
183.13869	1.7
193.06592	1.6
193.12260	18.2
210.06778	1.7
211.13254	3.9
212.08424	1.4
221.06021	2.3
225.09128	4.3
229.14371	100.0
241.12151	2.1
242.05641	2.5
253.08662	7.2
254.09442	1.2
267.15918	2.9
270.05359	1.2
270.08414	1.1
285.07581	6.7
285.11334	7.7
285.16959	47.7
285.22116	4.1
285.25571	1.8
287.10410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.56731	1.0
53.03937	3.9
54.08889	1.0
55.01860	3.8
55.05273	1.4
55.05514	17.6
57.03163	1.5
57.03437	28.5
59.04984	1.5
60.38675	1.1
65.03924	1.5
67.05506	25.8
69.03417	4.0
69.07059	4.8
70.47533	3.0
71.04993	6.3
71.36381	0.9
79.05495	25.0
81.03423	100.0
81.06593	2.1
81.07056	29.1
83.04977	12.3
83.08623	29.9
85.02908	42.6
85.06541	3.7
91.05486	29.2
93.07048	16.9
95.04968	39.2
95.08607	11.6
97.02885	3.1
97.06519	4.4
97.10147	3.3
105.07037	23.3
107.04968	7.6
107.08612	6.7
109.06522	3.9
109.10135	4.1
111.04405	2.9
111.08087	17.2
113.06017	2.7
117.06984	1.9
119.07803	1.7
119.08587	19.2
121.06516	1.4
121.10183	10.0
123.08047	3.2
123.11702	1.6
125.09591	1.5
129.06992	13.2
131.08583	12.1
133.06458	2.9
133.10132	11.0
135.11681	1.2
137.09657	2.3
142.07791	3.3
145.10123	1.8
147.08057	3.9
147.11688	16.2
149.09645	8.7
157.10146	16.2
163.11186	2.6
165.12744	3.8
166.77965	1.4
175.09766	1.9
175.11195	21.8
193.12253	87.7
198.62413	1.0
211.13312	34.7
267.15915	14.5
285.16949	55.9
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
53.03945	3.9
55.01859	2.6
55.05514	8.3
57.03435	9.0
65.03955	1.2
67.05505	14.4
69.03431	1.7
69.07061	3.6
69.47340	4.6
69.47758	1.9
71.04984	2.5
75.71616	0.8
79.05493	14.7
81.03419	100.0
81.07050	13.5
83.00823	0.7
83.04971	6.0
83.08617	20.2
85.02905	11.7
91.05480	15.2
93.07041	8.9
95.04968	26.7
95.08588	4.1
97.02898	2.8
97.06512	1.5
97.10153	1.5
99.08118	1.1
103.03812	0.9
103.05389	0.9
105.07030	13.9
107.04960	5.4
107.08598	3.2
109.06498	2.3
109.10155	2.1
111.04462	2.0
111.08085	12.3
113.05988	1.0
115.05421	1.6
119.08579	11.5
121.06526	0.9
121.10139	6.2
123.08076	1.8
129.07008	7.5
131.08569	7.7
133.06476	2.8
133.10152	5.7
137.09636	1.8
142.07770	2.6
147.08028	2.5
147.11700	8.3
149.09637	5.5
157.10127	10.7
158.95807	0.8
165.12811	2.1
168.48836	0.8
169.92473	0.8
175.11172	15.2
193.12242	62.8
211.13287	16.7
229.14432	1.0
267.15930	18.4
267.25058	1.3
269.95010	0.9
285.14044	1.6
285.16974	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01875	2.2
55.05511	6.8
57.02521	0.8
57.03443	6.0
65.03964	0.9
67.05509	12.0
69.03428	1.7
69.07063	2.7
69.73086	2.5
69.73499	1.6
71.04983	1.8
79.05499	13.3
81.03422	100.0
81.07059	12.6
83.04986	5.0
83.08624	18.7
85.02908	4.1
91.05480	14.6
93.07047	6.2
95.04970	26.1
95.08592	4.0
97.02912	1.8
97.06538	1.9
97.10202	0.9
105.07042	9.9
107.04980	6.1
107.08614	2.3
109.06511	2.1
109.10159	1.7
111.04454	1.8
111.08083	13.3
117.07035	1.1
119.08585	8.7
121.06501	2.0
121.10154	4.2
123.08102	0.7
123.11706	4.1
125.09578	0.7
129.07010	8.0
131.08560	7.7
133.06517	2.6
133.10149	4.3
137.09627	1.3
142.07802	1.3
147.08069	2.5
147.11703	7.0
149.09612	3.7
157.10098	10.8
165.12814	2.5
175.11180	11.7
193.12251	60.9
211.13293	7.0
212.14310	1.3
225.09169	1.0
229.14415	1.4
233.10106	0.9
253.08722	1.9
267.15897	17.6
285.11215	2.8
285.16870	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	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
53.04403	2.2
53.60339	2.2
55.01863	7.8
55.05503	6.5
57.03440	6.5
57.07069	3.6
60.51736	2.1
61.02916	6.8
67.05495	9.6
68.05833	2.5
68.99802	4.1
69.03433	30.8
69.07059	6.1
69.80385	10.2
71.05000	6.0
73.02911	10.1
76.04014	11.3
77.17474	2.3
79.05481	3.7
81.03419	29.0
81.07073	12.3
83.08604	4.8
85.02907	88.6
87.00830	37.8
91.03950	2.8
91.05480	3.5
93.07037	6.9
94.07436	2.2
95.08614	7.1
96.08936	4.2
97.02898	53.6
97.06548	4.1
98.21580	2.6
98.97591	2.5
99.04456	16.5
101.56229	2.3
105.01874	59.2
105.07064	3.2
107.08611	4.7
108.04479	10.7
109.02886	27.8
109.10133	2.4
113.87643	2.3
116.98536	2.2
117.01864	5.2
121.10159	3.5
122.06020	3.0
123.11710	3.1
126.05540	4.6
127.03925	100.0
129.01854	4.0
133.10101	2.5
134.10420	2.3
136.12003	3.5
145.04962	79.5
147.02878	3.5
159.02910	24.4
181.02437	2.1
181.06491	3.1
198.06862	3.3
213.04039	2.4
226.06207	7.1
228.13380	2.3
230.06679	4.0
231.05011	31.8
241.08585	35.6
248.07693	6.7
249.06140	12.5
269.08063	21.4
284.10358	45.3
284.15820	5.2
284.29495	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	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01869	0.4
56.96306	0.2
56.96569	2.8
57.03429	0.4
61.02926	0.3
62.96942	0.2
68.67219	0.2
69.03439	0.3
70.06622	1.1
70.54610	0.6
70.98110	0.6
73.02933	0.3
75.95430	0.2
82.99886	0.2
84.08160	0.4
84.96041	0.2
85.02907	0.8
87.04479	0.2
88.99129	0.3
89.31816	0.3
97.02929	0.2
98.96947	0.4
98.97591	7.3
99.04418	0.2
101.00887	2.1
102.96875	0.4
109.05122	0.4
109.95893	0.2
110.03524	2.5
110.07191	0.3
110.97555	0.5
113.00916	0.2
116.91518	0.2
116.98621	2.6
117.01902	0.3
119.01933	3.2
124.99152	0.3
127.03874	0.2
128.04572	0.6
128.98615	0.3
131.01917	0.6
132.98068	0.3
133.03464	0.3
133.04970	0.3
134.99695	0.6
135.03033	5.7
135.06822	0.2
136.06218	0.2
136.99124	0.2
137.03020	0.4
141.10231	0.2
143.01942	0.5
152.05685	100.0
153.04094	4.6
153.05295	0.2
153.98625	0.5
155.00186	0.2
158.99867	0.3
159.01326	0.3
161.02937	0.8
162.99103	0.4
169.09833	0.2
170.99704	0.4
171.99684	0.2
172.94370	0.5
173.01366	0.3
173.03006	0.6
174.97711	0.2
177.00943	1.2
182.99762	0.4
183.01378	0.5
187.04602	0.2
190.98676	0.6
201.00800	0.7
201.02477	3.3
205.00215	0.4
211.99181	0.5
212.04193	0.4
216.98970	0.2
217.04134	0.3
219.01797	2.4
219.03642	0.7
220.02223	0.2
220.99716	0.3
221.04857	0.3
225.00964	0.2
231.03627	0.3
237.02806	0.3
239.97081	0.3
243.01828	1.5
260.95871	0.4
260.99670	2.2
261.03110	11.7
262.03244	0.3
269.08142	0.4
272.26096	0.2
279.00662	2.9
284.05005	0.3
284.10321	0.6
284.16348	0.3
299.38727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	4.7
54.73338	1.4
55.01862	5.1
55.05515	22.2
57.03442	40.1
60.26774	1.3
65.03923	2.8
67.05510	35.2
69.03407	5.1
69.07069	8.9
70.38238	1.5
71.04994	11.6
71.22163	3.0
79.05077	2.7
79.05499	37.4
81.03424	81.6
81.07064	45.9
83.04993	16.1
83.08622	29.1
85.02911	66.1
85.06537	2.9
91.05486	39.9
93.07045	22.7
95.04978	38.0
95.08615	20.3
97.02893	3.7
97.06528	7.0
97.10158	3.1
99.08084	3.6
100.11219	2.0
105.07039	35.5
107.04955	6.3
107.08594	11.7
109.02902	1.6
109.06530	7.7
109.10138	5.5
111.04440	3.9
111.08091	19.8
113.06002	4.1
115.05432	1.9
117.07042	3.3
119.08595	26.0
121.10143	13.1
123.08065	5.3
123.11707	4.1
125.09648	1.8
129.07014	13.0
131.08591	13.3
133.06496	4.7
133.10138	16.0
137.09604	2.7
142.07762	3.5
145.10115	3.3
147.08061	4.3
147.11713	23.0
149.09654	8.6
149.31578	1.5
157.10135	21.1
161.05911	2.3
165.12752	5.5
168.08095	6.3
169.08844	3.5
171.11678	2.1
175.11188	24.4
193.06599	2.1
193.12257	88.9
211.13315	50.7
212.14413	8.0
225.09146	4.3
229.14262	1.9
253.08600	6.8
254.09300	1.8
267.15967	9.9
285.07663	4.0
285.11343	5.4
285.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2422
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
53.03939	1.1
55.01868	0.5
55.05264	0.6
55.05513	5.8
57.07074	0.8
62.37692	0.4
65.03957	0.5
67.05508	11.5
69.07071	4.5
69.85644	1.9
71.64832	0.4
79.05074	0.7
79.05499	8.3
81.07060	20.7
83.04959	0.5
83.08617	4.7
89.06019	1.1
91.05486	8.9
93.07050	18.1
93.07647	0.9
95.04970	0.6
95.08611	15.5
97.10152	0.8
105.07037	18.3
106.96622	0.3
107.08598	12.1
107.73105	0.4
109.10165	13.6
109.87124	0.4
111.04433	0.7
115.05398	0.5
117.07018	4.2
119.08586	14.2
121.10146	12.0
123.11712	4.8
125.95457	0.4
129.07014	1.6
130.07759	0.5
131.08580	10.2
133.09122	0.7
133.10135	13.2
135.11705	11.8
137.13310	0.8
138.24118	0.4
143.08586	4.2
144.09366	0.6
145.10129	14.3
147.11697	21.1
149.13277	9.0
156.09348	0.4
157.10139	3.6
158.10881	0.5
159.11702	17.2
161.13261	15.8
163.11215	1.2
163.14877	2.0
170.11026	0.5
171.11726	3.3
173.13266	13.7
175.14828	7.0
183.11594	0.4
183.80634	0.5
185.13304	5.0
187.14839	7.9
189.16466	2.6
197.13321	0.4
198.14066	0.5
199.14813	8.7
200.15555	2.4
201.16382	15.7
209.11646	0.6
213.16402	7.2
214.17210	0.8
215.17960	4.8
227.12778	0.9
227.17967	5.8
241.19495	2.0
255.21022	0.9
283.15582	1.8
283.24219	100.0
284.24496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2422
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
51.20917	0.8
53.03951	1.5
55.01889	0.9
55.05510	5.0
57.03421	1.3
57.07062	1.3
59.76474	0.8
64.00174	0.9
64.32036	0.9
65.03943	1.2
67.05510	12.9
68.45007	1.0
69.07069	5.4
71.53056	1.2
79.05496	11.5
80.37782	1.0
81.07062	38.5
83.04976	1.0
83.08630	5.6
86.76390	0.9
89.06017	3.2
91.05480	11.4
93.07050	22.2
95.04988	4.5
95.08610	19.3
97.06511	1.7
97.10156	2.2
99.69755	0.8
102.46380	1.0
105.07040	22.7
107.08604	17.4
109.10170	13.3
111.04430	1.1
111.08089	1.4
117.07012	5.9
119.08591	16.0
121.10158	13.4
123.08077	0.9
123.11729	4.3
129.07045	2.2
131.08578	12.3
133.10138	17.9
135.11700	13.8
137.13289	1.2
142.07768	1.3
143.08559	4.2
144.09282	1.2
145.10139	16.8
147.11702	25.9
149.13289	9.5
157.10121	2.5
159.11702	18.2
161.13277	13.0
163.11139	1.1
163.14816	1.5
171.11720	5.3
173.13260	16.3
175.14900	6.2
175.21021	1.0
183.11653	1.1
185.13266	7.2
187.14809	9.9
189.16411	3.1
199.14789	8.1
200.15605	2.4
201.16403	19.9
202.82431	1.1
209.13243	1.0
213.16397	7.1
215.18011	5.8
227.12738	1.7
227.17976	6.1
241.19600	3.2
254.20473	1.0
255.20992	1.6
283.09503	1.5
283.15494	4.0
283.20673	10.8
283.24197	100.0
284.25760	1.4
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
50.96093	1.9
53.03936	2.0
55.05516	10.1
57.07073	3.7
59.38243	1.6
65.03937	2.3
67.05511	23.5
69.03426	9.9
69.07073	13.3
71.04659	2.0
71.05000	21.5
71.78772	1.6
78.29338	1.9
79.05489	19.4
81.06591	3.2
81.07058	43.2
83.04976	4.0
83.08614	5.6
91.05484	31.7
93.06490	2.8
93.07050	40.3
95.04976	16.1
95.08620	24.9
96.87259	1.8
97.06522	8.9
97.18504	1.8
100.06611	1.7
103.05465	3.5
105.07038	63.2
107.08593	35.7
109.06509	10.6
109.10159	18.2
111.08108	2.0
115.05478	2.5
117.07018	13.4
119.08588	46.8
121.06549	9.0
121.10146	95.1
123.08056	6.9
123.11706	6.7
125.09607	2.3
128.06227	7.4
129.07037	9.6
130.07771	7.7
131.08575	39.7
133.07596	3.6
133.10135	46.0
135.08083	9.8
135.11682	13.0
137.09615	2.0
141.06979	3.4
142.07782	6.5
143.08568	21.5
144.09363	2.8
145.10127	54.6
146.07292	3.5
147.08046	3.8
147.11674	12.9
149.09596	3.4
149.13260	3.3
155.08566	3.3
156.09319	4.2
157.10118	22.2
158.10902	8.7
159.08043	5.9
159.11678	19.2
161.09624	34.0
161.13243	7.6
163.11172	8.2
163.14771	1.7
167.08519	4.4
168.09375	2.7
169.10130	7.1
170.10954	2.9
171.11697	18.7
172.08934	2.0
173.09630	3.8
173.13277	68.1
175.11183	5.2
175.14822	6.1
179.08557	6.1
180.09341	3.1
181.10106	5.5
183.11703	7.7
185.13261	10.2
187.11252	2.1
187.14864	11.5
189.12689	2.4
191.14380	4.1
193.10039	5.2
194.10960	5.0
195.11742	9.7
197.13297	5.2
199.11211	4.3
199.14862	11.8
201.12790	2.4
201.16394	3.4
207.11713	2.4
208.12532	2.3
209.13258	12.6
211.14845	3.3
213.12741	4.5
213.16406	5.2
221.13373	2.0
223.14748	9.7
225.16304	4.8
227.14278	6.6
228.95337	1.9
241.15973	2.5
255.21161	8.9
265.19556	21.4
283.20575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2421
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
53.03947	1.2
55.05516	4.4
57.07063	0.8
65.93905	0.5
67.05190	0.8
67.05510	10.9
68.10640	0.5
69.07076	3.7
71.08620	0.7
79.05504	7.7
81.07058	21.7
83.08629	3.5
87.08483	0.5
91.05486	8.6
93.07053	16.3
95.04996	0.7
95.08609	14.6
97.10166	1.3
98.21516	1.4
103.05493	0.7
105.07037	21.1
107.08604	13.4
109.10165	12.3
114.39758	0.5
117.07023	3.9
119.08586	14.1
121.10146	11.6
123.11702	5.4
129.07004	1.8
130.07753	0.7
131.08568	11.4
133.10139	16.4
135.11691	10.6
143.08598	4.4
144.09326	1.0
145.10133	14.2
147.11699	18.5
149.12195	1.0
149.13274	9.5
156.09297	0.6
157.10141	4.2
158.10997	0.6
159.11702	18.1
161.09560	0.8
161.11995	0.9
161.13269	13.1
163.14793	1.2
169.10193	0.7
171.11655	3.8
173.13278	15.7
175.14842	6.6
181.10300	0.5
183.11748	0.7
185.13300	6.0
187.14827	8.6
189.16394	2.3
199.14835	7.8
200.15593	2.4
201.16383	14.3
209.13371	0.8
213.16409	6.6
214.17099	0.8
215.17976	4.4
225.16376	0.7
227.17972	6.3
228.18883	0.6
241.19531	2.3
253.14571	0.6
254.20325	0.5
255.21100	1.2
265.19495	1.5
268.22208	0.7
283.24216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03936	4.6
55.01865	4.0
55.05277	1.5
55.05515	14.1
57.03423	2.2
57.07068	3.9
57.70892	1.3
65.03927	1.8
67.05191	1.7
67.05509	27.5
69.03439	10.2
69.07069	18.6
69.34455	1.2
69.86024	7.3
71.04996	20.6
72.95084	1.5
79.05496	25.4
81.06593	2.8
81.07058	52.4
83.04962	3.9
83.08621	9.2
85.06532	1.7
89.06036	2.6
91.05486	32.3
93.07043	50.4
95.04979	13.7
95.08608	31.8
97.06535	7.6
97.10158	2.3
103.05452	1.6
105.04487	2.4
105.07035	71.6
107.04934	2.0
107.08595	40.9
109.06515	9.4
109.09467	2.5
109.10159	27.9
111.08079	2.6
115.05439	2.4
117.07038	15.2
119.06100	1.8
119.07719	1.5
119.08585	47.7
121.06514	5.7
121.10151	100.0
123.08067	7.2
123.11707	7.0
128.06230	5.1
129.07010	7.2
130.07768	5.3
131.08574	40.0
133.06453	1.7
133.07597	2.6
133.10139	44.3
135.08058	8.7
135.11705	18.3
135.90109	1.4
141.07008	2.4
142.07764	4.7
143.08556	18.3
144.09337	2.3
145.10133	56.2
146.07323	2.2
147.08043	4.1
147.11693	27.9
149.09662	2.4
149.13222	10.8
155.08504	2.6
156.09299	2.7
157.10132	17.9
158.10954	7.2
159.08102	2.6
159.11702	27.3
161.09634	27.3
161.13251	16.5
163.11194	8.3
163.14778	2.3
165.06921	1.8
167.08618	2.2
169.10136	4.6
171.11678	13.2
172.12343	1.9
173.09615	3.9
173.11765	3.4
173.13272	70.4
175.11177	3.0
175.14841	14.3
179.08559	2.8
181.10123	3.0
183.11693	5.5
185.09546	2.6
185.13260	10.4
187.11238	2.0
187.14833	16.7
189.12726	3.3
189.16531	1.5
191.14288	3.7
194.10869	3.0
195.11719	7.6
197.13254	5.3
199.11154	1.7
199.14851	15.1
200.15706	2.0
201.16399	16.2
203.14339	1.8
203.18024	2.0
209.13303	10.7
213.12906	2.7
213.16327	8.9
215.14185	2.2
215.17972	4.6
223.14816	5.9
225.16304	3.4
227.14394	2.7
227.17915	7.5
241.19461	3.7
255.21065	5.2
258.35522	1.5
265.19516	15.0
283.09784	1.6
283.15347	4.7
283.20557	66.2
283.24176	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1904
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03956	2.9
55.01632	1.9
55.01873	21.5
55.05515	50.9
56.96547	2.6
57.03423	4.6
57.07064	2.1
57.45615	1.3
59.69934	1.6
60.26683	1.3
67.05511	24.6
69.03445	2.9
69.07076	27.8
69.07431	3.3
69.82380	6.3
71.04977	5.9
73.06566	2.0
79.05073	2.9
79.05498	35.1
81.03419	4.8
81.07059	34.1
83.04985	11.3
83.08621	78.2
85.02901	5.3
85.06551	2.0
89.06008	2.2
91.05486	32.4
93.07048	53.4
95.04994	8.4
95.08611	22.5
97.02863	2.5
97.06518	6.1
97.10159	6.3
98.97581	3.9
99.04475	7.2
99.08089	2.3
105.07034	18.9
107.04935	2.4
107.08598	65.3
109.06516	5.6
109.10175	11.5
111.04427	12.5
111.08086	21.4
113.82452	1.4
115.05489	1.6
117.07017	25.9
119.08587	15.7
121.06503	4.0
121.10164	21.3
123.08080	2.1
123.11725	2.9
125.08792	1.8
125.09637	25.1
129.07037	1.9
129.09103	1.8
131.08578	22.1
133.10159	9.7
135.08092	10.6
135.11662	11.6
137.09650	12.3
139.11177	10.0
143.07010	3.0
145.10129	15.6
147.07988	2.4
147.11703	6.5
149.09631	29.1
149.13254	2.3
151.11156	2.4
153.09126	18.0
153.12730	2.9
158.99657	2.6
159.11700	10.3
161.13257	3.6
163.11192	13.2
165.09116	2.6
167.10681	4.2
173.13266	5.0
175.14824	3.5
177.09108	5.2
177.16434	2.0
181.08633	3.7
181.12245	2.4
191.10620	3.8
195.10161	4.0
201.16380	39.7
209.11774	3.6
211.14862	1.7
219.17453	100.0
227.12749	6.5
229.15926	6.3
238.43936	1.6
239.51753	1.5
240.07689	2.1
241.14313	1.8
247.16927	28.7
265.18011	29.2
283.09695	5.0
283.15442	12.7
283.19095	20.6
283.23859	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	283.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00561	1.3
53.03943	2.8
53.98282	1.6
55.01880	16.7
55.05514	16.9
56.96569	1.9
57.03436	5.8
57.07066	3.3
61.02896	1.4
61.82566	1.6
62.50191	1.4
65.03931	1.7
67.05511	41.4
69.03440	3.5
69.07075	60.4
69.58158	6.6
71.05001	7.3
73.02960	1.4
73.06557	5.3
79.05499	70.1
81.03419	5.3
81.07063	66.0
83.04974	13.4
83.08617	13.2
85.06557	4.0
89.06052	2.3
91.05489	40.8
93.07053	42.7
95.04984	9.6
95.08612	40.5
95.09180	2.8
97.02905	3.3
97.06532	18.3
97.10181	6.2
99.04459	2.7
99.08086	4.9
105.07038	25.1
107.04967	6.6
107.08604	100.0
109.06522	5.2
109.10165	15.3
111.04456	6.5
111.08076	6.7
113.05998	3.1
115.07552	1.8
117.07036	17.7
119.06038	1.8
119.08588	25.7
121.02854	2.4
121.06530	2.6
121.10148	37.3
123.08070	4.8
123.11707	4.6
125.06001	5.7
125.09641	46.0
125.10561	2.4
129.07054	6.8
131.04878	1.4
131.08578	60.6
133.10132	21.0
135.08096	6.8
135.11691	14.2
137.09615	7.9
139.11217	9.1
143.07050	18.5
143.08600	3.7
145.06459	2.1
145.10123	24.1
147.11716	8.0
149.09634	22.8
149.13280	3.3
151.11205	1.8
152.36115	1.5
153.09125	15.5
155.08536	2.1
157.10181	3.1
159.11703	12.5
161.08121	5.0
161.09584	3.9
161.13289	4.7
163.11217	9.7
163.12462	2.1
163.14859	2.9
165.09247	2.4
167.10669	10.6
169.10196	2.6
171.11693	2.7
173.09634	4.3
173.13292	18.7
175.14836	4.2
177.09129	4.2
181.12202	2.1
183.10196	2.2
183.11681	1.6
185.13286	4.1
187.11217	2.2
187.14873	2.4
191.10719	4.4
191.14369	1.6
191.17998	2.7
195.10199	5.6
199.14731	1.8
201.16383	39.4
209.11670	2.8
211.14816	2.5
213.16351	1.7
219.17459	17.7
225.61267	1.5
227.12799	3.3
227.17862	1.9
229.16034	7.2
240.07735	1.9
241.08571	3.5
247.13243	1.6
247.16956	21.5
265.17926	17.0
283.06583	1.7
283.09659	9.4
283.15765	8.4
283.19516	4.0
283.20575	4.1
283.24164	12.5
284.10480	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79434	2.4
52.62054	2.2
52.99507	2.2
55.01868	4.6
55.05513	12.0
57.03428	11.7
57.07070	5.9
67.05508	17.0
69.07060	11.1
69.14739	15.0
69.15178	10.5
79.05502	25.8
81.07061	22.8
83.04966	3.6
83.08616	9.8
89.06030	10.4
89.89164	2.3
91.05476	8.1
92.63791	2.2
93.07056	37.1
95.04968	5.8
95.08616	42.0
97.02914	5.9
97.06560	3.7
98.20650	2.7
99.04459	4.6
105.07067	5.1
107.04970	9.9
107.08614	26.6
109.06564	3.9
111.08039	2.9
113.06013	2.5
117.07005	9.5
119.08575	9.4
121.06525	6.2
121.10104	12.5
133.08627	4.4
133.10123	3.2
135.10054	4.1
135.11696	45.9
139.07446	2.1
145.10103	23.3
153.15588	2.4
160.28926	2.3
163.11208	55.3
181.12277	12.3
213.17046	2.5
221.30539	2.4
227.12796	100.0
266.25330	3.6
279.90723	2.7
283.15381	34.1
283.22574	15.5
283.28183	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	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
55.29308	0.2
56.05035	0.3
57.07087	0.2
63.67714	0.2
63.73488	0.2
65.03931	0.3
67.05488	0.6
68.05031	0.5
69.03442	0.3
69.07058	0.6
69.47923	1.6
70.06570	0.6
71.05017	0.3
79.05487	1.2
80.05009	2.0
81.03425	0.4
81.07052	1.4
82.06573	0.5
84.04474	0.6
84.08119	0.6
85.38506	0.3
85.42661	0.2
86.06068	0.9
87.04466	15.1
89.72327	0.3
91.05479	3.2
93.07045	3.4
94.06563	0.5
95.08593	1.0
96.08118	0.8
97.06526	0.5
98.06064	1.6
98.09675	0.4
98.20827	0.5
105.07018	0.3
107.08596	1.5
108.08119	1.5
109.08869	0.6
109.10152	0.3
110.09682	2.1
112.07639	0.3
116.07120	0.4
117.34964	0.2
119.04947	7.6
120.08115	0.7
121.02796	0.5
122.09669	1.5
123.10504	0.3
123.11687	0.5
124.07578	0.4
124.11227	0.8
133.10068	0.3
135.04465	0.3
135.11693	3.3
136.07556	1.0
136.11215	1.2
137.05884	0.5
137.13182	0.4
138.09099	0.3
145.06557	0.6
147.04410	30.5
150.12764	2.9
151.13487	0.6
152.14340	13.8
161.05994	0.7
162.05565	0.5
162.09232	0.3
164.10747	0.5
166.07310	0.3
166.08603	3.2
180.10202	0.4
181.11000	0.6
184.09727	1.1
184.13251	1.1
194.11768	2.2
196.13347	2.6
208.13307	4.3
209.14093	1.0
210.14882	0.6
220.16953	0.4
233.11671	0.3
236.16447	0.7
238.18011	100.0
239.18410	0.7
240.19557	0.9
263.64783	0.4
264.23346	0.3
282.20627	85.7
283.20944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05508	0.4
55.27203	0.3
56.96584	0.4
57.03430	1.0
59.04999	0.6
59.66196	0.3
61.02917	0.3
67.05505	0.4
69.07067	3.4
70.06590	1.1
71.04977	0.3
71.51794	0.4
72.08163	0.7
79.05496	0.5
84.04522	0.6
84.08142	0.9
85.02914	0.9
85.06549	0.6
86.09716	0.5
87.04465	0.3
88.04009	1.1
91.05500	0.5
92.05833	0.5
94.04055	0.9
95.06104	0.6
97.06560	2.3
98.97591	0.9
102.05397	0.3
103.05472	0.4
103.07585	2.8
110.07211	0.6
116.98621	0.5
119.03545	2.0
120.04468	0.9
120.08112	3.2
121.08450	2.2
122.07182	0.3
123.07944	1.3
124.08341	1.4
125.55346	0.3
126.72769	0.3
128.98651	0.4
129.09132	0.6
129.10229	0.3
131.06845	0.4
134.09644	0.3
136.06195	100.0
137.04590	1.2
137.05646	0.3
137.06660	0.7
145.05045	0.5
145.10132	0.6
146.05998	0.3
148.03944	2.3
150.07756	8.6
158.99734	0.3
163.04456	0.4
165.05513	1.0
167.08945	1.1
172.11229	0.5
173.09596	0.5
176.09106	0.4
177.00647	0.4
186.99310	0.3
188.98506	0.3
198.96989	0.5
201.07465	0.8
206.11853	0.6
219.08174	0.4
225.98613	0.3
236.10941	0.9
236.12900	1.6
237.65891	0.3
247.07805	0.5
250.13016	21.3
254.11620	0.4
258.98950	0.5
264.14676	0.4
282.11044	3.0
282.15643	51.8
283.16061	0.5
297.17389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.03445	0.4
59.04997	1.2
61.02922	2.2
70.06634	0.2
71.05002	3.2
71.09837	0.5
72.23151	0.3
79.05495	1.4
81.07060	4.9
83.88783	0.3
87.08112	0.5
91.05485	1.2
99.08089	0.4
101.86153	0.3
103.05429	0.4
105.07047	0.7
108.08141	0.3
109.05117	0.7
110.03553	3.4
113.09631	0.8
119.04951	2.1
119.58176	0.3
120.08080	2.1
123.04441	0.4
128.04565	0.9
132.08102	0.5
134.04613	0.4
135.03024	8.9
147.04417	9.3
147.05550	0.6
152.05679	100.0
153.04082	7.0
153.05956	0.3
166.07280	1.0
174.12776	2.2
197.31349	0.3
210.36734	0.3
220.13388	2.5
232.11876	0.7
250.13055	2.4
282.15616	33.6
283.15930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13307	0.2
52.28409	0.2
55.05516	3.8
59.04998	3.4
61.02919	0.6
70.06596	0.5
70.69640	0.2
70.83905	0.5
71.01339	0.4
71.04999	7.7
72.08138	0.3
79.05507	0.4
81.07053	1.9
83.04984	3.5
84.04494	0.3
84.08146	2.4
88.04002	0.3
89.02421	0.3
91.05488	2.6
95.04975	2.8
97.02894	0.2
101.06024	4.9
103.05458	0.9
107.04958	0.4
109.05140	0.6
109.06496	0.2
110.03540	3.5
113.09645	4.2
116.03453	0.2
118.10928	0.2
119.04949	7.5
120.04469	0.7
120.08115	7.7
121.06516	0.3
123.04434	12.7
128.04555	0.9
130.08588	0.5
131.04916	0.3
134.04691	0.3
135.03026	4.8
136.01462	0.3
136.07573	2.2
137.09604	0.3
145.33966	0.2
147.04416	6.0
148.03935	2.1
148.07578	0.8
152.05679	100.0
153.04082	5.1
153.05896	0.2
165.05489	16.3
166.07210	0.5
166.08641	1.0
167.03383	0.2
173.09645	0.2
182.08072	0.2
183.08022	0.3
189.09143	0.4
190.08588	0.4
200.10757	0.7
201.09109	0.5
205.08565	0.3
218.11761	6.0
219.10219	0.5
232.11969	0.5
236.09308	1.2
236.12827	12.6
250.12949	0.4
264.12189	0.5
264.14691	0.4
265.10776	3.3
282.13257	3.0
282.15674	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	282.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72420	0.5
55.05505	1.1
56.59526	0.5
69.07056	0.7
69.55930	3.4
70.06591	9.0
72.08116	2.2
83.08582	0.5
84.04494	1.0
84.08141	3.1
86.09663	1.9
86.89519	0.5
88.03951	0.5
91.05472	1.3
92.40575	0.5
93.07019	0.6
95.89974	0.6
97.17275	0.5
98.21480	0.7
105.07021	0.6
107.04932	0.8
109.02884	1.2
110.07046	0.6
112.08668	0.8
116.07067	0.9
119.04929	1.7
120.04406	0.9
120.08106	4.0
121.06516	0.5
122.06037	0.6
123.04441	2.8
131.04901	1.6
136.07565	0.6
137.05940	1.6
138.09929	0.6
141.33952	0.5
145.06422	1.4
145.10130	27.6
147.04419	1.0
147.08043	17.4
148.03911	2.4
153.10931	0.5
155.08513	1.7
158.07239	1.6
159.08032	0.6
165.05486	42.5
166.08615	0.6
172.11215	34.4
173.09637	27.9
190.12276	11.9
190.13950	0.7
193.08604	9.8
201.09117	2.1
218.11760	0.6
219.10158	7.6
236.12828	100.0
237.13066	0.6
264.12308	1.3
282.13394	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21929	0.7
53.03940	0.8
55.05515	15.0
59.05007	11.7
65.03931	1.1
66.83424	0.8
70.64151	1.6
70.64484	0.9
71.05004	7.8
72.08160	0.7
81.07043	2.1
83.04996	13.7
84.08166	1.4
91.05488	11.4
92.04953	0.8
93.07036	1.4
95.04972	11.9
97.02895	1.0
101.05387	1.6
101.06023	22.3
103.05476	2.3
107.04956	1.2
109.24090	0.8
110.03525	4.5
110.68533	0.9
111.28923	0.7
113.09683	4.4
119.04953	33.2
119.07327	1.2
120.04441	3.9
120.08116	12.5
121.06539	1.1
123.04441	57.5
135.03015	5.0
135.06818	1.1
136.07579	9.8
147.04419	23.2
148.03937	13.0
148.07568	3.3
152.05687	100.0
153.04091	5.2
155.08611	0.9
159.04399	1.3
165.05487	70.9
166.07207	1.6
166.08533	1.0
172.29298	0.7
183.08076	1.9
190.08641	0.9
200.10727	2.2
201.09081	1.8
218.11772	25.3
219.10179	1.3
236.12833	54.4
247.09677	2.7
250.13026	1.0
264.12262	1.4
265.10739	16.1
282.13309	16.1
282.15759	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41143	0.2
53.21555	0.2
55.01870	0.5
56.96566	12.7
57.03435	1.2
57.49003	0.2
60.74850	0.3
60.95835	0.3
61.01139	0.5
61.02917	0.6
69.03426	1.3
69.07057	0.5
69.88968	0.5
69.89361	0.7
70.06600	1.9
70.98122	1.1
71.95271	2.5
72.08159	0.6
73.02924	1.3
73.09029	0.3
74.06085	0.5
81.03423	0.3
83.01472	0.3
84.08158	1.6
84.96044	0.3
85.02913	2.3
86.03257	0.3
86.09215	0.4
86.09709	4.0
86.67901	0.2
87.05576	0.4
88.03989	0.8
88.99162	0.4
97.02882	1.5
98.97586	100.0
99.04499	0.5
99.97940	0.6
101.00871	0.7
101.97176	0.5
102.96846	0.7
104.10741	0.6
105.03696	0.3
107.96046	0.6
109.02883	0.5
110.01302	0.5
110.97562	1.4
112.08717	0.3
113.00928	0.3
115.04105	0.2
116.98624	45.7
119.01900	1.2
119.03606	0.3
120.98061	0.4
127.03883	0.8
128.98616	1.6
129.10263	0.5
130.93280	0.5
131.01888	0.6
132.10179	1.2
132.96616	0.3
133.05074	0.6
134.99663	12.7
137.06003	0.5
139.98959	0.2
140.00183	1.2
143.01924	0.3
145.99821	0.4
146.99651	0.4
150.07751	55.4
150.97145	0.5
153.00664	0.7
155.00237	0.4
158.01268	0.4
158.99620	1.6
161.02992	0.5
162.99146	1.0
163.03969	0.4
164.00772	0.4
167.00304	0.4
167.08238	0.4
168.98090	1.4
170.99634	0.7
171.99855	0.5
172.94336	0.4
172.97597	0.3
173.02913	0.3
174.97652	0.7
176.01022	0.5
177.00699	1.1
180.95706	0.3
182.53397	0.3
183.04996	0.7
186.99106	1.5
188.05917	0.3
189.00719	0.6
190.98679	0.4
191.03926	1.3
191.54021	1.4
192.05586	1.7
192.08769	0.4
192.98607	0.4
193.03532	0.3
194.99716	0.3
198.99290	0.5
199.00931	0.3
199.02654	1.0
200.04291	1.3
200.54646	1.3
201.00668	0.4
201.02498	0.5
201.04533	0.9
202.98651	0.5
205.00307	0.4
206.07027	0.4
211.52846	0.4
216.98575	0.7
217.00261	0.7
219.01724	0.8
226.13097	0.3
227.02145	0.9
231.03568	0.4
234.99658	0.6
237.02794	0.5
240.98656	3.8
241.05617	0.4
247.51279	0.5
250.06017	0.7
255.03906	0.7
258.99765	46.1
259.06793	3.2
259.10254	0.8
259.56842	0.3
268.07059	1.0
277.00824	56.9
278.01172	0.3
279.04016	0.4
282.01276	0.8
282.04800	0.8
282.11984	5.6
288.06195	0.6
295.01782	0.4
300.02423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	8.3
55.01878	5.0
55.05512	34.0
57.03442	28.1
57.07066	4.1
58.49005	0.9
59.05005	1.2
62.56952	0.8
65.03923	4.2
67.05508	82.6
69.03416	3.2
69.06733	1.6
69.07072	22.3
69.44214	1.8
69.44610	7.2
70.06544	1.2
70.07402	1.8
70.49940	0.9
71.04975	2.9
71.08631	1.8
73.06551	2.6
77.03890	1.3
79.05495	100.0
81.03420	13.4
81.07059	69.2
81.20496	1.0
83.04984	39.4
83.08244	1.0
83.08630	14.1
84.08118	1.1
85.06542	5.2
88.42605	1.0
91.04904	2.3
91.05486	68.2
93.07049	78.3
94.07376	1.2
95.04967	22.5
95.08612	46.1
96.08920	1.6
97.02894	1.9
97.06531	7.2
97.10159	7.2
99.04471	1.2
99.08084	2.5
103.05508	1.6
105.04570	1.5
105.07036	53.9
107.04967	7.5
107.08592	28.7
109.06530	9.5
109.10159	14.2
111.08085	3.0
112.12006	1.2
115.05441	1.7
117.07015	11.6
119.08586	31.0
120.08113	0.9
121.06486	4.0
121.10152	7.9
123.08063	8.8
123.11745	1.4
125.06050	1.2
125.09574	1.8
127.07568	2.2
128.06213	2.5
128.90343	0.9
129.07011	19.2
130.07799	1.0
131.08498	4.9
133.06488	2.4
133.10133	15.6
135.08043	1.4
135.11713	5.2
137.09615	3.0
137.13295	1.4
139.03923	1.9
141.09056	1.7
143.08557	12.2
145.10106	11.3
147.08054	4.3
147.11693	44.4
149.02313	1.4
149.13242	1.6
150.02663	2.8
151.02908	2.3
151.11102	1.7
156.09369	1.1
159.11623	2.1
161.09630	6.7
161.13278	16.6
163.11171	1.0
165.09117	1.6
166.99088	0.9
171.11694	38.8
177.12697	1.1
178.21852	1.0
179.14386	1.6
189.12746	14.5
200.78973	1.0
207.13795	18.0
225.67984	1.1
261.55441	0.9
263.16400	1.4
263.23785	1.7
281.17456	76.6
281.22525	3.4
281.27689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02374	1.4
53.03946	9.3
53.67640	1.0
55.01881	7.1
55.05515	36.7
57.03441	27.1
57.07084	5.4
59.05007	1.5
62.49314	1.0
65.03922	4.8
66.04695	1.0
67.05508	84.3
69.03423	4.5
69.06741	1.5
69.07074	19.5
70.06583	1.4
71.04977	4.8
71.08630	1.9
73.06538	3.5
79.05498	100.0
81.03425	18.7
81.07059	76.2
83.04497	1.8
83.04986	37.3
83.08626	11.8
84.08131	1.1
85.02921	1.2
85.06538	6.0
91.05486	71.9
93.07052	77.5
95.04377	2.3
95.04974	28.5
95.08609	51.7
97.02894	11.6
97.06528	8.1
97.10147	7.0
99.08066	1.6
103.05452	1.9
103.85799	1.3
105.04504	1.7
105.07038	52.3
107.04958	11.8
107.08601	27.7
109.02885	5.3
109.06530	11.5
109.10163	9.2
111.08087	3.1
115.05423	3.8
117.07009	11.9
119.08591	39.4
121.06492	4.3
121.10146	9.9
123.04488	1.4
123.08085	9.9
123.11697	3.4
125.05999	1.5
125.09657	2.5
127.07542	2.7
128.06223	2.8
129.07022	17.7
130.07814	1.3
131.08562	6.0
133.06534	2.3
133.10146	18.1
135.08055	5.7
135.11693	3.9
137.09627	2.7
137.13251	1.9
141.09097	1.9
143.08586	11.5
145.10110	14.0
147.08012	3.9
147.11702	41.1
149.02383	1.3
149.13254	2.2
150.02689	3.3
151.02773	2.0
156.09364	1.7
157.10141	1.6
159.11710	2.8
161.09634	7.5
161.10817	1.3
161.13251	18.5
163.11150	2.3
165.09180	1.4
169.10068	1.4
171.11690	36.5
179.14304	2.4
189.09064	3.0
189.12737	17.2
195.32956	1.3
207.13786	15.4
225.11099	2.6
228.67380	1.2
263.16296	2.1
281.14261	3.2
281.17447	64.8
281.22607	4.4
281.28217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12324	1.1
52.13773	1.3
53.03949	6.1
55.01884	7.0
55.05516	33.4
56.90097	1.1
56.96567	1.1
57.03439	33.4
57.07053	5.0
59.04983	1.8
61.54359	1.2
64.34196	1.1
65.03924	5.4
67.05508	85.7
68.71868	1.2
69.03434	9.0
69.06740	1.5
69.07068	18.6
70.06591	1.3
71.05004	6.1
73.06540	2.8
77.23245	1.3
79.05495	100.0
81.03419	12.5
81.07056	72.3
83.04984	32.5
83.08625	15.3
85.02899	3.1
85.06532	5.4
87.04456	1.4
89.13066	1.2
91.04903	2.4
91.05483	70.4
93.07047	90.4
95.04967	25.2
95.08607	51.3
97.02306	1.9
97.02895	28.5
97.06538	9.2
97.10173	7.4
99.04459	2.5
99.08067	3.3
103.05468	1.8
105.04501	2.8
105.07031	50.4
105.82989	1.2
107.04953	8.4
107.07888	1.9
107.08599	33.2
109.02847	1.5
109.06512	15.0
109.10168	16.2
111.04375	2.8
111.08042	3.5
113.06009	1.4
115.05440	3.1
117.07005	14.3
119.08584	60.8
121.06492	6.3
121.10144	14.9
123.08076	8.4
123.11686	2.6
125.05984	1.1
125.09602	5.0
127.07516	1.8
128.06221	2.7
129.07004	22.3
131.08585	5.7
133.06483	2.0
133.10112	15.3
135.08067	11.1
135.11665	5.1
137.09540	2.5
139.11192	1.6
141.08960	1.5
143.08594	11.6
145.10124	15.3
147.08081	5.7
147.11699	44.6
149.02318	2.3
149.09630	2.5
150.02672	2.7
151.02847	1.4
151.11119	1.5
155.05983	1.6
156.09280	1.7
157.10124	1.5
159.07925	1.4
159.11684	3.6
161.09605	5.9
161.13260	18.7
163.11160	5.3
165.09137	2.1
165.12657	2.0
169.10095	2.1
171.10320	1.8
171.11696	33.2
179.14278	2.1
189.12727	14.9
191.10680	1.3
199.14749	1.8
207.13797	17.7
223.07220	1.4
225.14825	1.3
233.50609	1.4
245.15208	1.4
263.08826	1.3
263.16312	1.7
263.23663	1.6
281.00443	1.5
281.07755	1.4
281.17444	65.3
281.22330	2.6
281.28384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	9.2
55.01866	5.1
55.05512	33.1
57.03439	29.2
57.07077	2.1
65.03922	3.8
67.05506	80.7
69.03410	3.1
69.07068	21.0
69.29283	12.5
70.06618	1.8
71.04995	3.6
72.08154	16.8
73.06565	2.2
77.03912	1.5
79.05493	100.0
80.05007	3.0
81.03416	19.6
81.07056	77.7
83.04500	2.0
83.04981	32.9
83.08625	11.0
83.68533	1.4
85.06531	4.5
87.04470	1.4
87.46223	1.5
91.05485	75.3
93.07043	82.8
95.04967	27.9
95.07988	2.2
95.08606	46.2
97.02888	4.6
97.06522	7.0
97.10159	6.1
99.08111	2.1
105.04519	2.7
105.07033	57.8
107.04961	9.0
107.08598	29.5
109.06517	10.2
109.10166	13.2
111.08094	2.0
113.09647	2.0
114.72922	1.6
115.05441	2.4
117.07025	10.7
119.08588	35.5
121.06512	6.8
121.10162	9.7
122.09685	2.3
123.08064	11.5
123.11736	1.7
127.07553	3.0
128.06184	2.3
129.07007	21.0
131.08568	3.8
133.10135	16.0
135.11652	2.4
137.09599	2.6
137.13260	1.8
139.07597	1.6
143.08540	11.3
145.10103	14.5
147.08029	3.9
147.11691	43.9
150.02715	1.6
151.02838	1.6
151.07492	1.4
157.10213	1.5
159.11705	3.4
161.09641	6.9
161.13269	18.0
163.11168	2.9
165.09100	2.5
166.63112	1.3
171.11694	42.3
177.28589	1.5
189.12747	16.8
192.13817	2.0
207.13815	18.8
210.14923	3.9
245.15364	1.7
246.18567	2.4
264.19595	6.4
281.17484	78.7
281.22046	14.5
283.08759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
53.03948	10.1
55.01852	6.3
55.05511	39.0
57.03439	24.6
57.07065	3.3
65.03916	4.5
67.05508	76.1
69.03411	6.2
69.06744	2.2
69.07070	32.7
69.89576	7.3
71.04990	7.3
71.08652	1.7
73.06538	2.6
77.03885	1.7
79.05494	100.0
79.13249	1.4
81.03418	19.0
81.07056	82.0
81.16807	1.6
83.04982	34.3
83.08617	13.4
85.02888	2.2
85.06539	6.6
91.04916	2.2
91.05484	64.6
93.07046	75.8
94.19292	1.6
95.04968	29.7
95.08612	47.6
97.02918	8.1
97.06539	13.0
97.09640	1.8
97.10172	19.0
98.21503	2.0
99.04447	1.8
99.08047	3.3
100.11239	5.7
105.04494	2.2
105.07032	52.0
107.04951	10.7
107.07894	1.9
107.08592	30.1
109.06499	13.0
109.10159	14.6
111.08064	3.8
111.11678	4.9
113.05946	2.2
113.09604	1.8
115.05441	3.2
117.07016	10.8
119.08579	30.5
120.85132	1.4
121.06481	5.1
121.10142	14.9
123.08070	14.1
123.11668	5.6
125.09583	3.7
127.07536	2.1
128.06172	3.3
129.07011	19.9
131.08600	8.7
133.06441	6.1
133.10129	18.4
135.08023	5.9
135.11636	3.9
137.09587	5.1
139.07483	1.6
139.11191	9.9
141.09071	2.2
142.07765	2.4
143.06973	4.2
143.08553	11.1
145.10114	10.0
147.07994	6.9
147.11690	37.0
149.09642	8.2
149.13261	2.0
150.02632	2.7
151.02827	2.9
151.07516	1.5
151.11171	2.2
155.08484	1.8
156.09317	2.9
157.10133	2.0
157.12225	2.4
159.08022	3.3
159.11664	3.4
161.09628	7.5
161.13292	20.5
165.09058	3.9
171.10310	2.0
171.11694	36.0
175.14809	1.5
177.09148	3.3
177.12808	1.7
182.15442	1.5
183.11604	1.7
185.13274	1.4
189.09108	1.5
189.12767	15.2
195.10039	2.4
199.14752	3.1
199.18040	2.6
207.13762	15.3
217.15729	2.6
225.12796	1.6
245.15292	3.9
263.16415	9.2
263.20178	1.9
263.23566	2.5
281.00620	2.7
281.17386	67.4
281.22311	8.2
281.24701	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.4
55.01867	6.1
55.05513	33.5
57.03165	1.8
57.03439	35.9
57.07065	2.4
65.03920	4.5
67.05507	85.8
69.03416	2.0
69.06736	1.5
69.07072	21.7
70.20958	3.4
71.04988	4.8
73.06580	1.5
79.05497	100.0
81.03416	12.5
81.07059	70.3
83.04987	37.9
83.08622	12.1
85.02918	1.8
85.06524	5.4
87.04475	1.2
91.04903	2.9
91.05483	64.7
93.07047	79.7
94.48994	1.1
95.04967	24.6
95.08614	43.2
97.02873	2.6
97.06522	6.9
97.10172	4.1
99.08105	1.5
103.05458	1.3
105.04504	2.6
105.07037	50.9
107.04963	5.8
107.08597	22.6
109.06523	9.6
109.10156	11.8
111.08075	2.7
113.06001	3.8
117.07003	9.4
119.08585	31.8
121.06485	4.7
121.10134	5.5
123.08070	9.4
125.09637	2.6
127.07536	2.4
128.06195	3.7
129.07013	16.2
131.08557	5.7
133.10139	14.5
135.07974	2.1
135.11671	3.6
137.09593	2.1
143.08588	10.7
145.10121	12.5
147.08049	5.0
147.10513	2.1
147.11694	44.1
149.02336	2.2
149.13243	2.1
151.11226	1.4
159.11630	1.5
161.09627	6.2
161.13261	16.5
165.09076	1.9
171.11690	37.4
189.12732	13.7
195.13622	1.5
207.13829	16.7
221.13138	1.4
244.74217	1.3
263.23611	1.4
281.17477	63.0
281.24686	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	281.1749
Annotation	brefeldin A
Peak:m/z	Relative Intensity
51.72096	0.5
53.03928	0.4
55.01871	1.2
55.05504	1.8
57.03440	20.5
57.07073	0.9
65.03934	0.8
67.05509	16.4
69.03457	0.4
69.07069	4.3
70.63990	1.5
71.04990	2.7
79.05499	3.8
81.03415	0.7
81.07060	4.1
82.56956	0.4
83.04967	1.1
83.08611	1.0
85.06548	22.8
90.91452	0.5
91.05487	4.0
93.07048	3.6
95.04974	30.4
95.08615	3.1
97.06531	1.4
98.97593	0.9
99.08143	0.4
105.07029	1.8
107.04948	2.5
107.08585	2.5
109.06503	2.8
109.10159	1.4
111.08049	0.4
113.06009	100.0
117.07073	1.1
119.08597	1.6
121.06470	0.6
121.10148	1.6
123.04437	1.1
123.08062	0.4
125.06024	0.6
125.09627	0.7
126.94089	0.4
129.07031	0.8
131.08556	1.3
133.10135	1.6
135.08080	2.5
135.11627	0.5
143.08563	1.1
145.10120	2.0
147.08080	1.0
147.11644	0.6
149.09628	2.6
150.02640	0.6
151.02895	0.6
151.11185	0.4
155.08539	0.5
157.10146	0.9
159.11691	0.6
161.09618	0.9
161.13335	0.8
163.11153	0.6
165.09087	1.4
169.10225	0.5
171.11734	1.6
173.09627	1.0
177.05403	0.4
189.12808	2.0
191.10686	1.9
199.14882	1.3
217.15891	2.0
227.14311	1.5
245.15408	10.9
263.16473	7.6
263.23691	0.6
281.13815	0.7
281.17606	1.2
281.24792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.91685	1.5
53.03941	11.1
55.01860	4.2
55.05515	32.0
57.03444	31.0
57.07061	2.5
57.94235	1.4
65.03954	3.5
66.12437	1.4
67.05509	78.9
69.03432	2.1
69.07071	17.4
69.86737	1.5
70.04082	6.4
71.04978	4.4
73.06557	3.2
79.05499	100.0
81.03431	18.0
81.07063	64.5
83.04985	36.5
83.08614	10.6
85.06524	3.8
85.18578	1.3
91.05487	64.7
93.07047	78.7
95.04980	27.2
95.08615	39.0
97.02880	2.5
97.06532	8.6
97.10166	4.8
99.08088	2.2
99.48278	1.3
105.04508	2.9
105.07040	55.0
107.04939	9.5
107.08592	24.7
109.06525	11.2
109.10177	9.0
111.08061	1.8
117.07018	9.5
119.08587	33.3
121.06493	3.4
121.10158	5.8
123.08082	7.7
127.07526	2.6
128.06223	3.8
129.07002	19.9
131.08554	2.7
133.10152	17.3
135.11700	2.8
143.08580	10.8
145.10135	11.2
147.08095	2.8
147.10503	2.3
147.11703	40.5
159.11803	2.0
161.09616	6.5
161.13287	14.6
165.09171	1.3
171.11708	33.2
189.12799	11.2
207.13826	19.0
231.40034	1.5
281.17484	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	1.7
55.04250	1.9
56.05040	0.4
56.96590	0.4
69.07047	0.4
69.91393	1.1
70.06588	0.8
72.08132	1.1
74.52364	0.3
75.00841	0.3
81.04544	12.1
82.04855	0.6
82.05324	7.5
84.04490	0.4
84.08136	1.1
85.02914	0.5
86.09707	0.6
87.05590	0.4
91.05473	0.7
98.97599	0.5
103.38219	0.4
104.05280	0.4
108.05592	0.4
110.07182	0.8
119.04935	0.3
120.08112	1.3
121.07629	0.5
121.08444	0.5
122.07159	21.4
123.07938	100.0
129.10219	0.6
136.06175	5.2
136.07295	0.5
147.04416	1.4
150.02654	0.4
160.04297	1.1
162.04143	1.3
165.07719	6.1
166.08662	0.4
191.03806	0.4
200.07054	0.3
201.07430	0.7
222.09692	0.4
234.96275	0.3
247.08018	0.6
263.13943	0.6
281.10684	82.4
299.06107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29168	2.3
52.70560	2.3
53.03940	4.5
55.05521	20.4
56.94198	2.6
57.03437	6.4
57.04986	2.2
57.07081	83.1
59.04997	8.0
63.04500	31.1
67.05513	18.2
69.03439	14.2
69.07068	5.3
70.06594	7.5
70.10950	8.9
71.05010	4.0
72.08148	3.0
79.05499	12.3
81.03448	5.1
81.07062	19.5
83.04578	2.5
83.04998	19.9
84.04494	7.1
84.08150	10.6
84.54077	2.5
85.02447	3.7
85.02914	40.5
86.09681	5.6
87.04475	3.1
91.05493	16.6
93.07048	17.0
95.04997	17.5
95.08592	7.9
97.02892	10.2
97.06524	6.0
99.04453	2.9
101.06015	8.6
101.09684	3.7
103.03962	4.8
103.05442	3.1
105.07030	12.2
107.04965	3.8
107.08596	11.3
109.02887	3.8
109.06522	10.3
109.10175	24.3
117.07050	3.1
119.08594	15.6
119.10712	100.0
120.08109	20.8
121.06502	8.6
121.10152	10.1
123.04423	5.0
123.08076	3.6
123.11673	3.0
125.06050	5.5
125.09626	3.5
127.03927	5.3
128.06227	3.9
129.06964	4.6
130.05028	5.6
131.08543	4.8
133.06494	4.7
133.10092	7.2
135.08046	7.9
136.06161	2.7
136.07594	3.2
137.06050	2.7
137.09627	70.2
145.04996	3.7
145.10086	7.4
147.04448	2.8
147.08038	8.5
147.11676	2.5
149.02299	2.9
149.09650	2.9
150.02626	5.8
150.71162	3.0
151.02905	4.1
151.07561	3.0
152.14354	6.5
159.11679	4.0
161.09602	9.7
161.13150	2.9
163.11203	16.7
165.09138	38.7
174.12839	3.9
175.14792	2.6
179.10722	6.2
181.12259	13.7
189.09105	4.6
200.10892	2.8
207.10197	8.1
217.01836	3.1
220.13319	4.6
240.03065	3.0
245.15390	7.2
263.16464	10.9
264.16129	5.4
281.10843	3.7
281.14212	6.0
281.17456	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
52.07946	3.1
53.03944	6.4
53.19785	2.6
55.01864	8.9
55.05515	20.4
57.03439	3.6
57.07076	6.6
65.03937	4.0
67.05510	49.8
69.03442	6.5
69.07074	100.0
70.41014	7.0
71.04983	3.5
71.08652	4.2
73.06563	8.8
79.05495	62.2
81.03431	7.6
81.07065	70.7
83.04984	10.3
83.08626	4.7
85.06533	2.9
91.05486	69.2
93.07050	51.8
95.04982	17.2
95.08070	3.6
95.08622	37.5
97.06554	21.4
97.10129	4.3
99.08109	3.6
105.07034	38.8
107.04958	13.7
107.08604	28.4
108.73015	2.9
109.06542	9.2
109.10178	14.0
115.07555	4.1
117.07024	14.5
119.08580	65.5
119.09373	4.9
121.06512	4.2
121.10162	37.5
123.08072	23.5
125.05986	9.9
125.09687	5.6
129.07014	22.9
131.08577	47.2
133.10159	23.6
135.08049	7.1
135.11620	3.6
137.09604	10.8
139.11168	3.3
142.07774	4.2
143.07039	25.5
143.08542	23.0
145.10139	14.6
147.08047	32.2
147.11720	14.6
149.02322	3.9
149.09637	27.1
150.02698	10.7
151.02882	9.0
151.07584	4.5
151.11244	3.8
153.09100	8.0
157.10117	25.5
159.11725	11.7
161.08118	7.2
161.09648	11.2
161.13261	8.2
165.09041	15.9
169.10094	4.1
169.80298	3.1
171.11705	6.5
173.13286	5.5
175.07562	6.0
175.11240	4.8
175.14844	4.6
177.09151	9.8
179.07074	4.7
180.09900	3.2
187.14825	3.9
189.12883	3.9
189.16377	23.6
195.10178	5.0
199.14835	38.7
207.13992	3.8
209.13332	3.6
217.15874	38.6
227.14284	22.6
237.14861	4.4
238.71545	2.9
245.15387	36.1
263.16443	40.5
263.20087	5.1
271.09317	3.1
281.17706	15.3
281.25864	6.2
287.96136	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	280.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.05512	0.9
57.04552	0.3
57.07061	0.6
59.04994	0.5
60.04522	0.4
61.02927	1.1
69.07056	0.6
70.06590	1.8
70.34846	0.8
71.04990	0.9
72.08143	0.8
79.05508	0.6
81.07064	2.3
84.04499	1.0
84.08146	3.6
86.09705	2.4
88.03951	0.3
88.83541	0.3
94.04033	1.0
94.29090	0.3
98.20840	0.4
102.05550	0.6
105.07043	0.4
105.91991	0.3
108.05614	0.4
109.05133	2.5
116.01669	0.4
116.07076	0.4
119.03562	0.3
119.04961	0.4
120.08125	0.9
123.06718	0.4
129.10258	1.3
130.05009	0.7
132.08112	0.5
133.05104	2.5
136.06165	0.4
143.11880	0.3
147.04440	0.8
148.06114	0.4
149.02361	3.8
150.02693	3.4
150.07756	100.0
151.08020	0.4
153.12587	0.2
162.02231	0.5
163.02580	0.3
163.03877	0.3
164.04247	0.4
164.09306	0.3
177.37659	0.3
190.12344	0.3
248.15086	27.5
262.14462	0.3
280.17697	63.7
281.18042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09592	0.3
55.05519	1.6
57.07077	0.8
58.99567	0.3
59.05001	0.5
60.05639	0.4
61.02912	1.2
63.64732	0.3
67.03036	0.3
70.06603	1.6
71.05000	0.8
71.40480	0.3
72.08144	1.0
72.97953	0.3
75.47363	0.3
76.75591	0.3
79.05482	0.7
81.07069	2.8
82.12762	0.3
83.08620	0.7
84.04530	0.6
84.08134	2.6
84.08960	0.5
86.09698	2.2
88.03999	0.5
94.04053	0.9
103.05437	0.3
109.05129	2.5
112.08791	0.4
116.01681	1.4
117.02029	0.6
120.08117	2.2
121.08453	0.4
127.05045	0.4
128.05537	0.3
129.10243	1.8
130.08612	0.4
133.05113	2.2
144.01115	0.4
149.02374	2.9
150.02693	3.1
150.07755	100.0
162.02196	2.0
163.02507	1.4
163.03867	0.6
164.04231	0.5
177.14783	0.3
186.12395	0.6
187.10822	0.4
190.12326	0.6
236.10945	0.3
248.15085	28.9
262.32907	0.3
263.11444	1.2
280.17691	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01881	0.5
55.05515	2.7
56.59809	0.3
57.03454	0.7
59.12064	0.3
61.75243	0.3
65.03962	0.7
67.05509	21.9
69.03441	1.7
69.07082	1.5
69.41800	0.3
69.61008	0.8
69.61419	1.6
71.01364	0.8
71.05007	0.4
71.89102	0.3
79.05499	3.2
81.03450	0.4
81.07064	9.3
83.04997	0.6
84.08147	0.8
85.02915	0.6
85.06554	0.6
85.37122	0.4
86.19764	0.3
91.05482	4.2
93.07052	7.4
95.04969	3.8
95.08614	6.4
96.55893	0.4
97.02900	6.5
98.20717	0.4
99.00819	3.6
99.08135	0.4
105.07040	1.3
106.39173	0.4
107.08618	2.9
109.02908	0.8
109.06506	2.6
109.10167	35.7
111.08093	0.5
117.07038	1.2
119.07719	0.5
119.08585	10.2
121.06493	0.7
121.10201	2.1
123.08041	0.5
127.07536	0.5
131.08595	0.9
133.10149	0.9
135.08044	0.7
137.09628	100.0
138.09952	0.4
146.31100	0.3
147.08070	0.9
149.09650	0.5
150.02657	0.5
161.09622	0.6
163.11209	0.5
165.09126	70.8
171.11786	0.5
181.05066	0.4
183.10143	0.4
189.09106	0.5
193.98013	0.3
205.12170	0.5
217.17783	0.5
245.15288	0.5
263.09161	0.5
263.16541	0.7
281.14105	0.6
281.17523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.7
53.03936	0.5
55.05519	1.5
57.03450	0.5
65.03931	0.5
67.05505	21.8
69.07076	0.9
70.70738	0.3
70.96243	0.6
71.01371	0.5
79.05499	2.1
79.20686	0.4
79.21133	0.4
81.07063	7.9
83.05005	0.5
91.05503	2.8
93.07047	3.5
95.04972	3.7
95.08608	6.1
99.00814	3.5
100.70591	0.4
105.07056	0.5
107.08588	2.1
109.06511	2.4
109.10161	34.5
117.07045	0.5
119.08604	3.9
128.52824	0.4
137.09621	100.0
138.10001	0.5
147.08083	0.5
165.09117	66.1
166.09439	0.5
183.10258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1375
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
53.03943	0.7
55.05513	34.8
57.07064	1.3
58.99297	0.9
58.99588	15.5
61.01146	0.6
61.71491	0.5
63.01593	0.5
69.84422	1.8
69.84830	1.0
73.01145	1.6
76.02233	4.9
76.04008	3.3
78.65356	0.5
83.08621	27.2
84.08128	0.5
86.99055	12.5
88.02224	3.7
101.09641	1.6
102.60371	0.6
107.08604	0.8
115.05830	0.8
116.01682	55.0
120.32931	0.5
121.02808	0.8
130.04985	0.6
144.01149	26.6
149.02351	13.6
153.83574	0.6
159.08403	9.0
162.02208	100.0
179.04831	0.7
202.00790	0.5
205.05049	0.6
244.10120	1.1
262.11093	28.8
275.82590	0.6
279.13736	4.7
279.16379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
51.05745	0.5
55.01872	0.8
57.07082	10.8
62.44954	0.5
65.03957	1.0
67.05505	1.2
70.06604	1.6
71.43475	0.6
71.43814	0.7
79.05493	1.9
81.07070	0.9
83.59914	0.6
84.08159	1.6
86.09711	100.0
91.05496	1.1
91.76895	0.6
93.07043	1.6
95.08592	1.0
97.02885	0.8
103.05475	2.0
105.07031	0.9
107.99221	0.6
109.10169	1.1
112.00323	0.6
120.08110	42.6
121.02901	3.4
121.03817	0.6
129.10294	0.6
132.10255	0.9
136.07428	0.8
144.05817	0.5
149.02351	90.6
149.27872	0.6
150.02603	0.6
159.08125	0.7
162.07826	0.6
166.08655	10.9
167.03429	2.0
181.05067	0.6
191.08386	0.9
205.08543	0.7
210.76978	0.5
233.09459	0.6
233.11758	0.6
233.16541	2.1
279.09735	2.0
279.17126	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	279.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06505	0.5
50.06730	0.6
55.01848	0.7
55.05504	2.5
56.96566	0.6
57.03432	1.4
57.07079	14.0
57.30409	0.5
58.99583	0.6
59.59113	0.5
60.30728	0.5
65.03931	1.0
67.05511	8.3
69.03411	1.4
69.07061	1.6
69.38314	3.8
69.38724	1.1
69.73009	0.6
70.06596	2.8
71.04993	19.4
71.08632	0.6
72.08139	1.8
79.05494	3.8
81.07056	7.5
83.04991	0.9
83.08611	1.5
84.08136	2.7
85.02906	0.9
85.04064	0.6
85.06548	18.0
86.09715	6.1
91.05494	8.0
93.07047	3.4
95.04960	1.3
95.08616	2.3
97.02898	0.9
97.06528	0.7
98.97556	0.7
99.04462	0.7
102.05554	1.0
103.05473	0.9
104.03387	1.4
105.03415	0.6
105.07045	4.6
107.04969	0.8
107.08604	4.8
109.06513	1.6
109.10159	7.0
116.01686	1.5
117.11413	0.6
119.04962	0.7
120.08112	5.8
121.02860	4.7
123.08064	0.7
123.11680	1.0
129.10207	0.9
131.08630	0.7
133.10132	11.8
135.08112	0.8
136.07541	1.8
144.01152	0.8
146.06015	1.3
147.04460	0.7
149.02347	100.0
151.11198	11.2
161.36270	0.6
162.02200	2.6
167.03415	2.0
169.12233	11.8
205.08629	1.9
207.06013	1.2
243.15927	19.7
243.18336	1.3
248.27614	0.6
251.10313	2.5
261.16934	1.2
262.11111	1.3
279.10074	0.7
279.13031	0.9
279.15842	0.8
280.63226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37597	0.4
56.96301	0.6
56.96568	7.6
57.07068	1.4
59.57839	0.4
60.74624	0.4
62.14790	0.4
69.03421	0.9
70.12042	1.7
70.98118	0.9
71.01294	0.4
71.95265	1.1
73.02905	0.7
75.17558	0.4
84.96031	1.6
85.02908	1.1
97.02867	0.7
98.20807	0.5
98.97590	100.0
110.97578	25.1
112.99148	1.6
116.98628	26.6
119.01827	0.8
124.99123	3.1
128.97691	0.8
128.98615	13.2
131.00151	1.0
134.99678	4.1
138.76704	0.4
140.00208	1.2
140.98590	1.9
143.00165	3.7
145.94307	0.5
146.99681	4.1
149.02347	7.3
155.00243	0.5
158.99664	42.3
161.01299	1.4
170.99664	12.3
171.01086	0.8
177.00723	31.9
178.05003	0.4
182.99759	0.9
189.00728	18.5
191.03937	0.5
195.01828	1.7
200.02301	0.5
201.00719	1.1
207.01767	7.5
219.01775	10.2
232.99689	0.6
237.00502	1.0
237.02838	18.4
249.02898	0.8
255.03886	9.6
279.03897	13.3
297.04913	5.2
297.07996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82121	1.8
56.96549	5.6
69.14688	2.0
70.35262	5.2
70.35619	4.1
71.95280	3.4
81.19265	1.8
98.97591	100.0
102.76402	2.0
110.97571	29.8
116.98631	29.6
128.98615	17.3
134.99712	3.3
143.00166	2.8
146.99615	2.9
157.96523	2.0
158.99680	46.5
170.99622	13.0
177.00722	32.5
189.00740	21.1
195.01814	2.7
197.85355	1.8
207.01765	7.3
219.01773	6.1
236.92493	1.9
237.02885	13.8
255.03876	6.2
279.04718	36.6
293.53790	2.1
297.05374	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
56.05028	1.0
56.96573	2.0
57.07077	14.0
59.06213	0.5
61.02932	0.6
65.03945	1.6
67.05515	2.2
69.03433	1.9
70.06596	29.6
71.05006	0.5
71.08636	1.1
71.23782	0.8
72.08150	1.0
78.94824	0.4
79.05484	2.5
81.03418	0.7
81.07050	2.2
84.04494	1.3
84.08147	4.6
85.02899	1.6
86.09717	1.0
91.05481	17.7
95.08613	1.2
97.02895	1.4
98.97585	8.9
99.04409	0.7
100.03958	0.4
107.04980	0.6
109.06524	0.7
109.10085	0.5
110.07172	0.7
110.97587	1.4
111.04447	0.5
114.05532	2.8
116.07097	63.8
116.98634	3.1
118.06530	0.5
119.04941	12.4
121.02865	4.8
121.03680	0.6
121.03964	0.5
121.06506	1.2
123.04448	0.5
128.98628	1.4
129.10228	1.6
132.95837	0.5
134.99712	0.6
135.02281	0.5
136.07582	71.4
141.10191	0.7
146.99667	0.6
147.04416	3.0
149.02345	100.0
151.03952	0.8
158.99641	2.9
160.57156	0.5
165.05609	0.4
167.03447	2.9
170.99640	1.0
172.96927	0.5
177.00716	4.3
181.81863	0.5
189.00710	2.0
203.11096	1.6
205.08618	1.2
207.01762	0.6
215.13951	0.7
217.07208	6.6
219.01788	1.1
219.06056	0.5
223.09789	0.5
233.13152	0.4
234.11261	0.5
237.02768	1.5
243.01758	0.9
261.07645	0.8
262.10852	2.2
278.55902	0.4
279.00961	1.1
279.03790	0.9
279.09357	1.5
279.13394	15.1
279.15939	1.0
279.23215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03940	4.5
55.01868	1.5
55.05519	15.1
57.07062	3.0
61.77190	1.2
65.03935	2.0
67.05511	34.8
69.07070	14.0
70.26097	2.0
70.26500	3.8
71.04996	3.0
77.03927	2.0
79.05499	70.4
81.06598	1.9
81.07060	36.5
81.07534	2.6
83.04972	2.3
83.08630	7.4
85.06544	1.3
90.45602	1.1
91.05483	31.1
93.07050	100.0
93.64781	1.2
95.04945	3.8
95.08607	23.5
97.06526	3.0
97.10153	4.3
105.04527	1.7
105.07045	13.6
107.08598	50.0
109.06507	1.7
109.10167	15.2
114.73847	1.1
117.07082	2.5
119.08568	8.9
121.10152	47.4
123.08139	1.5
123.11704	3.7
125.09635	1.6
129.06964	1.5
131.08565	4.6
133.10127	12.9
135.11703	58.0
137.13339	1.6
143.06332	1.3
143.08592	1.4
144.71860	1.4
145.10101	3.1
147.11676	6.8
149.09612	1.4
149.13269	23.6
157.10176	1.9
159.11707	4.7
161.09700	1.4
161.13278	4.7
163.11153	1.3
163.14828	6.9
171.11661	2.8
173.13231	1.3
175.14847	1.6
185.13243	2.2
189.12830	2.0
193.12263	1.8
195.13846	2.8
204.89563	1.2
207.13728	2.5
213.16437	2.8
221.15398	2.3
231.17455	1.5
235.11299	1.2
235.16995	3.5
241.19496	3.0
259.20563	4.3
277.21634	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.26316	0.8
50.91213	0.7
53.03940	2.5
55.01876	38.8
55.05514	23.7
57.03424	1.1
57.07078	4.2
57.76537	0.8
65.03937	2.1
67.05505	29.8
69.03426	0.9
69.07069	13.8
71.04983	2.3
71.08647	4.3
71.08968	0.8
71.38291	0.9
71.38614	1.0
79.05499	29.6
81.03401	2.3
81.07060	36.5
83.04985	6.2
83.08624	18.0
85.02891	1.5
85.06576	1.8
85.10179	2.7
88.59901	0.8
91.05489	21.7
93.07046	39.4
95.04974	5.9
95.08611	28.0
97.06537	11.1
97.10185	3.8
99.08104	3.8
105.04489	1.2
105.07031	16.4
107.04970	2.5
107.08599	21.0
109.06521	4.4
109.10170	10.4
111.08085	48.7
111.11663	0.9
111.76537	0.8
113.09668	2.3
117.07004	3.9
119.08589	9.7
121.09336	1.4
121.10154	18.3
123.08035	3.8
123.11705	3.3
125.09571	1.8
127.07528	0.9
129.07007	2.5
131.08554	3.5
133.10138	18.9
135.08090	1.3
135.11700	18.3
137.09607	2.6
137.13301	1.4
139.11183	3.3
143.08568	2.3
143.15114	0.8
145.10146	3.4
147.08078	0.9
147.11697	9.3
149.09645	3.7
149.13255	13.0
151.11169	7.7
153.12724	2.6
157.10147	2.1
159.11752	4.2
161.09610	1.1
161.13257	6.5
163.11186	3.5
163.14845	3.6
165.12746	8.7
167.10732	1.1
171.11703	2.6
173.13245	1.9
175.11224	2.5
175.14845	5.1
177.12805	1.3
177.16374	0.9
179.10797	1.1
179.14287	4.2
185.13203	1.6
187.14754	1.0
189.12749	2.5
193.12236	2.4
193.15961	1.1
195.13884	1.1
199.14751	1.0
207.13808	1.9
210.10963	0.8
221.15392	2.7
231.21086	3.5
235.16913	2.6
241.19492	3.8
249.22144	5.5
259.20575	6.9
277.21649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0935
Annotation	Ranunculin
Peak:m/z	Relative Intensity
55.01866	0.3
55.05502	0.2
57.03427	0.4
67.05502	0.2
69.03432	0.2
69.07067	0.4
70.06580	0.7
70.95131	0.5
72.08167	0.2
84.04501	0.6
84.08133	0.8
85.02898	0.4
86.09682	0.7
91.05482	0.3
92.04980	0.2
93.07030	0.2
98.97588	0.3
99.00551	0.2
104.04979	0.9
110.07179	0.2
115.05404	0.2
119.06071	2.4
120.08092	0.6
127.44735	0.2
129.04474	0.4
130.05040	0.3
136.06081	0.2
136.07576	0.6
144.05635	1.1
146.06036	0.4
146.07123	4.2
147.04385	0.2
161.05998	0.4
163.03851	0.2
164.08217	3.8
172.05064	0.7
173.08290	0.4
174.06699	1.6
178.59322	0.2
188.07028	0.5
190.06133	10.2
192.07722	2.2
199.06140	0.7
200.04546	1.5
204.91502	0.2
217.07225	100.0
218.05627	4.1
218.07475	0.3
231.06442	0.3
233.06802	0.2
235.16943	0.5
254.12334	0.3
259.06009	0.3
277.00253	0.3
277.09177	0.2
277.11935	0.3
277.17999	0.8
277.21094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62481	0.5
56.05033	2.0
57.03444	0.5
63.75779	0.5
67.05517	0.6
69.40266	3.1
78.24382	0.5
79.05501	0.8
80.36792	0.4
81.07066	0.5
84.04516	43.7
84.85812	0.5
86.09717	0.6
91.05503	1.5
93.07029	1.3
97.06555	0.5
103.05479	3.8
105.07065	0.6
107.04976	1.9
109.06581	0.5
115.71903	0.4
120.08120	100.0
121.10197	0.5
131.04950	2.1
142.30743	0.4
145.10098	0.6
147.04407	0.6
149.06065	1.0
166.08661	39.6
169.06505	0.6
169.80479	0.4
186.09171	5.2
187.07556	0.7
189.41737	0.5
213.09122	0.7
215.07072	1.3
231.11317	26.9
249.08992	0.5
259.10120	1.6
277.11935	9.5
277.14941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84635	2.1
70.06592	0.5
72.04534	2.1
80.26506	0.4
86.02430	2.2
91.05487	1.5
98.20793	0.4
99.57024	0.5
115.05478	1.9
117.05766	2.3
117.07030	2.4
118.05163	0.9
118.06548	35.2
130.06558	1.9
132.08099	28.3
142.06569	2.8
143.07327	4.7
144.04424	0.6
144.08093	22.6
145.06592	0.5
146.06020	79.3
146.78722	0.4
154.06491	1.0
155.05984	0.6
158.08397	6.7
160.07529	1.2
170.06020	6.5
171.09166	3.6
188.07079	100.0
231.11296	12.4
277.04785	0.4
277.11844	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03938	5.7
55.01867	2.7
55.05512	16.5
57.07047	3.3
63.02344	1.5
67.05502	30.2
69.07077	17.7
69.76088	8.8
71.04985	3.1
76.79162	1.5
77.03892	2.4
79.05496	72.9
81.07061	32.6
83.04980	3.2
83.08604	6.1
91.05478	25.9
93.07046	100.0
95.04967	4.0
95.08617	24.7
97.06503	2.9
97.10132	2.0
105.07027	15.0
107.08595	47.9
109.06502	1.6
109.10168	14.9
117.06951	2.4
119.08598	8.9
121.10146	47.5
123.11729	3.9
125.37195	1.6
131.08536	4.3
133.10158	13.0
135.11699	48.9
143.08554	2.6
145.10094	2.1
147.11728	8.4
149.13260	25.9
157.10100	2.3
159.11717	3.6
161.13235	5.2
163.14796	7.1
169.99980	1.5
171.11696	3.3
173.13216	2.1
175.14844	1.9
195.13875	2.7
207.13765	2.0
213.16269	2.1
221.15401	4.5
235.16890	4.2
259.20660	4.0
277.21640	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02385	1.3
53.03952	8.0
54.96362	0.8
55.01865	3.8
55.05513	15.4
57.03439	4.1
57.07076	4.4
65.03944	4.9
67.05509	34.8
69.03426	2.4
69.07074	13.1
69.50668	5.4
71.05000	8.5
71.08633	2.9
77.03928	2.5
79.05499	100.0
81.03426	3.7
81.07061	41.7
83.04996	3.7
83.08620	7.9
85.06545	2.8
91.04906	1.4
91.05484	25.2
91.65522	1.0
93.03417	6.6
93.07050	47.9
95.04974	16.8
95.08614	35.7
97.06531	5.9
97.10165	3.0
98.20797	1.9
99.08083	3.2
103.05437	1.1
105.03449	1.4
105.04517	3.7
105.07036	20.1
107.04964	54.6
107.08599	27.5
109.06522	4.6
109.10155	11.9
111.08083	2.5
113.09664	3.0
117.07008	5.6
119.08589	13.5
119.09393	1.4
121.06533	5.5
121.10152	25.0
123.08114	5.2
123.11677	4.2
125.09677	1.4
129.07013	4.0
131.08571	8.1
133.10135	14.8
135.08070	4.9
135.10703	2.1
135.11703	21.6
137.09616	2.8
137.13268	1.0
139.11159	0.9
143.08559	2.9
145.10109	6.2
147.08057	1.1
147.11726	8.1
147.47588	0.9
149.02376	6.6
149.09659	4.7
149.13277	13.2
151.11192	3.9
151.14818	1.0
157.10107	3.2
159.11685	4.6
161.09642	1.5
161.13260	6.9
163.11208	3.3
163.14798	4.4
165.12788	6.6
171.11722	3.7
173.13295	5.6
175.07632	1.4
175.11249	1.7
175.14861	3.7
177.12801	2.1
179.14348	1.8
185.13275	2.4
187.14844	3.5
189.12788	2.5
191.14316	2.7
193.08586	1.4
193.12207	1.0
199.14844	2.0
205.15912	1.4
207.13835	2.3
217.19550	2.1
221.15370	2.3
221.18924	1.1
235.13200	1.9
235.16908	4.2
241.19597	3.4
246.10481	0.9
259.09735	1.7
259.20621	12.1
277.18454	3.2
277.21649	95.5
277.28281	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	277.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64816	0.5
53.35678	0.5
56.96571	8.9
64.03912	0.5
70.35950	2.0
70.98125	8.7
71.95267	0.7
79.49481	0.6
84.04515	0.6
84.08144	1.5
84.96039	0.9
86.22421	0.5
88.99168	1.3
96.15686	0.6
98.97591	92.0
100.57674	0.6
110.97566	1.7
116.98630	17.6
124.99110	0.6
128.98602	6.3
131.00179	5.8
134.99666	1.6
139.38121	0.5
140.98595	3.3
143.00206	1.8
144.98067	1.0
146.99675	3.7
148.40083	0.6
149.01262	2.2
156.98070	0.9
158.99664	41.5
161.01192	0.6
163.03943	0.6
165.00726	0.7
173.01361	0.5
174.99115	0.7
177.00726	100.0
189.00696	2.1
193.00264	0.6
195.01785	29.4
198.10295	0.8
200.02342	2.0
205.00183	0.7
207.01750	1.7
217.00185	6.1
217.01965	0.7
219.01768	19.0
234.98973	1.0
235.01242	7.8
237.02861	5.9
253.02267	0.9
259.01175	0.9
277.02292	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99019	14.0
56.68378	13.9
56.96562	21.1
57.66352	14.6
69.86897	17.0
69.87619	54.9
98.97593	86.0
101.00864	21.6
110.97591	15.0
116.98648	26.5
119.01932	32.4
135.49677	17.8
136.77635	15.7
161.02983	47.9
197.93146	18.0
258.99933	16.9
277.03314	100.0
277.07553	51.6
283.45331	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	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
52.51688	9.9
69.42673	25.7
69.43076	33.2
77.24395	9.4
94.55224	10.5
98.21489	21.4
98.97559	11.0
101.00872	11.0
117.39060	10.4
153.47649	9.6
166.93428	10.7
173.02925	12.4
277.03247	100.0
277.07071	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.55626	0.6
53.03939	1.7
55.01864	2.9
55.05273	0.7
55.05512	10.4
56.07925	0.6
57.03440	3.5
57.07054	0.9
63.86184	0.7
65.03944	0.8
67.05508	19.4
69.03423	1.4
69.07074	9.5
70.96989	1.6
71.04980	2.4
79.05495	20.5
81.06596	1.4
81.07059	24.5
83.04974	2.6
83.08602	4.7
85.06551	1.2
91.05485	35.2
93.07049	20.0
95.04963	2.9
95.08006	0.7
95.08604	13.1
97.06525	2.1
97.10156	2.3
103.05475	1.8
105.04517	0.8
105.07037	49.8
107.04969	4.1
107.08593	13.3
108.27715	0.6
109.06538	5.6
109.10155	5.7
111.08077	1.6
115.05458	1.4
116.00139	0.7
116.54857	0.6
117.07029	8.3
118.07791	0.7
119.08589	30.9
119.15060	0.6
121.06505	3.8
121.10154	6.9
122.60867	0.6
123.08080	6.0
123.11685	2.0
123.73495	0.6
125.09610	1.4
127.76447	0.6
129.07021	2.8
131.08572	12.1
133.10136	40.8
135.08063	6.4
135.11699	5.1
137.09637	2.5
141.06897	0.7
143.08525	1.9
145.10130	10.9
147.08043	1.6
147.11687	16.0
149.09624	5.9
149.13248	2.0
151.11160	1.5
155.08546	1.5
157.10107	2.9
159.08035	0.8
159.11723	7.6
161.09634	1.6
161.13245	4.5
163.11246	4.2
165.09143	1.0
165.12750	0.8
169.10124	1.6
171.11707	3.0
173.13246	4.4
175.11070	1.6
175.14806	1.3
177.12726	1.5
183.11673	2.2
185.13217	2.0
187.11258	1.0
187.14790	1.2
189.12715	1.4
197.13246	2.8
201.12772	0.9
201.16409	2.0
203.14311	2.1
211.14746	1.0
213.16470	0.9
215.14386	0.8
215.17986	1.4
219.13788	0.9
219.17531	0.7
229.19553	2.8
233.15378	1.3
236.95897	0.7
239.17955	4.8
247.20686	3.7
257.18994	8.8
257.85117	0.6
275.20071	100.0
275.27762	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	1.6
55.01872	3.5
55.05281	0.8
55.05520	9.9
57.03436	0.8
57.07076	1.8
58.07401	0.6
65.03932	1.4
65.98310	0.7
66.62364	0.7
67.05507	18.7
69.03408	1.1
69.07067	9.2
70.06575	1.9
71.04987	1.9
79.05496	19.3
79.16998	0.7
81.07061	19.5
81.65182	0.6
83.04977	2.9
83.08627	6.4
85.06532	1.3
88.07637	2.7
91.05485	31.7
93.07046	22.1
95.04964	3.1
95.08611	14.1
97.06538	4.5
97.09243	0.7
97.10165	3.6
99.08110	0.9
103.05455	0.9
105.07034	41.3
106.08644	0.9
107.04942	3.1
107.08596	16.9
109.06528	3.9
109.10171	7.6
109.64995	0.7
111.08088	3.0
115.05419	1.0
117.07021	9.4
119.08585	29.8
121.06506	3.7
121.10145	10.9
123.08067	2.8
123.11726	1.5
125.09644	2.4
129.07007	2.0
131.08575	12.6
133.03519	0.9
133.06456	1.9
133.10139	29.7
135.08067	5.7
135.11699	6.0
137.09639	4.2
139.11185	0.7
141.06975	1.9
143.08556	3.6
145.10126	16.1
147.08044	1.9
147.11697	14.2
149.09636	15.0
149.13239	2.2
151.11172	4.2
155.08522	1.3
157.10089	4.0
159.08015	0.9
159.11708	9.9
161.09613	2.8
161.13295	6.3
163.11174	9.7
165.12776	1.7
167.10614	0.8
169.10097	4.0
171.11696	2.5
173.13248	4.9
175.11169	1.8
175.14812	1.8
177.12709	2.5
183.11697	3.1
185.13269	1.2
187.14838	1.6
189.12750	1.7
191.14357	1.9
197.13258	3.3
199.14897	0.9
201.12708	1.9
201.16339	0.9
203.09967	0.8
211.14769	1.3
213.16383	1.5
215.14287	1.5
215.17937	2.5
229.16011	1.4
229.19435	4.6
230.15263	0.7
239.17964	11.2
247.20593	2.9
257.19034	16.7
257.26706	1.5
275.04758	1.7
275.20071	100.0
275.27747	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	275.2008
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.01869	1.0
55.05503	2.8
57.03423	0.9
61.53357	0.7
67.05512	3.7
69.03418	1.3
69.06729	0.9
69.07075	11.0
69.23042	7.6
71.05016	3.9
72.62580	0.8
74.45668	0.8
78.13539	0.7
79.05501	3.5
81.07068	6.3
83.04984	1.3
83.08615	2.1
85.06544	3.8
89.36017	0.8
91.05489	6.8
93.07050	10.8
95.04983	1.9
95.08610	9.0
97.06557	1.1
98.21548	1.4
99.08092	1.2
105.07047	9.1
107.08614	8.8
109.06526	3.5
109.10149	7.8
111.08091	17.3
111.11742	1.1
113.09660	6.7
117.06999	2.7
119.08592	10.7
121.06504	2.7
121.10162	8.4
122.07256	2.8
123.08067	12.1
123.11691	2.6
127.11217	0.9
128.06209	1.0
129.06949	1.1
131.08580	13.0
133.10133	6.6
135.08067	23.0
135.11684	4.4
137.09618	2.2
139.11195	4.8
141.06973	0.9
142.07779	1.2
143.08553	4.3
144.09346	1.2
145.10136	9.9
147.11694	9.2
149.09621	3.5
149.13240	1.3
154.75044	0.7
155.08620	0.9
156.09387	4.2
157.10149	4.9
158.10857	1.0
159.11711	11.5
161.09650	2.2
161.13249	1.2
163.11185	3.0
165.12764	2.6
169.10121	1.3
171.11699	23.3
173.13289	8.2
175.11131	1.0
175.14861	2.4
176.11957	4.4
177.12790	1.6
181.12251	16.5
181.93060	0.7
183.11720	2.8
185.13190	0.9
187.14864	2.5
189.12772	4.6
189.16434	1.4
191.14322	100.0
197.13286	1.8
199.14830	9.7
201.12711	1.6
213.16370	3.1
215.14552	0.9
215.18005	5.7
217.15875	10.7
224.15572	1.0
231.17429	1.2
239.18019	3.2
257.19031	15.9
267.28598	0.8
275.20090	55.7
275.27713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05506	6.8
57.07079	7.1
58.07418	1.9
64.56454	1.7
66.36840	1.7
67.05511	7.3
69.03427	2.0
69.07069	4.2
69.67289	4.9
69.67702	4.4
70.06583	6.9
71.05010	10.6
71.06931	2.4
71.08633	2.3
72.08985	1.5
75.73125	1.3
79.05497	9.1
81.07078	7.4
83.04978	5.9
83.08622	2.7
85.06547	7.2
85.49930	1.5
88.07645	11.5
89.07995	2.1
91.05481	10.9
93.07047	16.9
95.04961	2.6
95.08611	18.3
97.06535	3.5
102.09214	2.6
105.07037	17.1
106.08647	3.6
107.08569	18.2
109.06526	11.6
109.10186	8.8
111.08099	12.0
115.05434	1.6
117.07000	7.9
119.08586	26.4
121.10174	22.9
123.08079	2.4
123.11721	5.7
128.06245	2.1
129.07033	5.1
131.08588	21.0
133.10143	19.0
135.08064	20.4
135.11708	2.0
137.09651	13.3
142.07765	4.9
143.08603	9.9
145.10118	16.5
147.11693	7.0
149.09645	3.3
149.13271	2.8
155.08612	1.9
156.09380	2.1
157.10155	16.0
158.10921	7.4
159.11714	27.9
161.09669	3.4
161.13258	1.8
163.11201	3.0
168.09363	2.0
169.10138	3.4
171.11649	8.0
173.09566	2.1
173.13271	41.5
174.14038	4.5
175.11211	7.3
175.14900	3.7
177.12709	8.8
183.11729	9.8
184.12457	4.0
185.13145	2.0
187.11337	3.0
187.14870	8.3
191.14345	6.7
197.13266	5.2
199.14835	18.4
201.12740	9.6
213.16350	8.7
215.14308	3.1
215.17953	4.8
217.15936	4.2
224.15417	1.5
239.17964	4.9
257.19006	17.8
257.26672	5.4
275.20074	29.6
275.27762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.78171	0.5
53.03936	1.8
55.01857	2.1
55.05276	0.8
55.05513	12.2
56.02751	0.5
57.03437	1.3
57.07064	1.7
57.57263	0.5
65.03942	1.0
67.05508	14.3
69.03442	0.5
69.07069	8.4
69.82387	1.0
69.82796	1.9
70.06577	2.2
71.04980	2.4
71.06927	0.6
71.08631	0.6
73.06562	0.6
77.85406	0.5
79.05498	14.6
81.03410	1.2
81.06599	1.0
81.07060	16.6
83.04977	1.9
83.08620	4.5
85.06541	0.8
88.07635	2.7
89.07935	1.0
91.05486	36.3
93.07045	14.1
95.04969	1.8
95.08611	11.3
97.06525	2.3
97.10164	3.0
102.09241	0.8
103.05490	1.3
103.09455	0.5
104.62206	0.5
105.07034	57.0
106.08630	1.2
107.04954	2.4
107.08587	11.9
109.06514	1.9
109.10166	3.6
111.08068	0.9
111.99980	1.4
115.05441	0.8
117.07020	7.1
117.44173	0.6
119.08581	28.1
121.00511	1.0
121.06494	1.9
121.10147	5.4
123.08020	1.2
123.11678	0.7
125.09601	1.4
129.07033	1.6
130.07733	0.6
131.08572	13.2
132.09320	0.9
132.51282	0.6
133.06468	0.8
133.10138	36.0
133.34169	0.5
135.08044	1.9
135.11630	2.5
137.09644	1.2
141.06987	1.4
143.08563	2.2
145.10120	14.3
146.10889	0.9
147.08102	0.6
147.11688	19.7
149.09645	4.7
149.13231	0.9
151.11136	0.7
155.08557	1.2
157.10124	2.9
159.08095	1.0
159.11711	6.9
161.09618	0.6
161.13223	3.8
163.11179	2.4
167.99704	1.2
169.10126	1.7
171.11652	3.3
173.13258	4.1
175.11198	1.8
175.14835	0.8
177.00175	1.4
177.12726	0.9
179.10661	0.5
183.11665	2.8
185.13283	1.6
187.11111	0.7
191.14377	0.7
193.12129	0.5
197.13304	2.7
201.12755	1.2
208.02052	1.1
215.17960	0.6
217.02563	1.7
217.15869	1.2
219.13805	0.7
229.15872	0.8
229.19489	1.4
233.15303	0.9
239.17871	3.7
247.16949	0.6
247.20630	0.8
252.04591	1.5
252.54721	0.8
257.19016	9.2
257.26703	1.5
263.55563	0.6
275.20078	100.0
275.27759	24.7
276.20612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.43061	0.7
53.03934	2.0
55.01862	2.0
55.05273	1.0
55.05516	9.2
57.03438	0.9
57.07076	1.0
62.50679	0.6
65.03938	0.9
67.05508	13.7
68.45162	0.8
69.07072	7.4
69.92764	1.7
69.93183	1.8
71.04994	1.6
77.03924	0.9
79.05080	1.1
79.05499	16.4
81.06595	1.2
81.07063	22.3
83.04974	1.9
83.08612	5.5
85.06555	1.2
91.05487	28.9
93.07048	16.1
95.04971	3.5
95.08614	12.7
97.06527	3.1
97.10182	1.6
103.05456	1.0
105.07040	37.6
107.04927	2.6
107.08595	13.7
109.06544	4.5
109.10159	6.4
111.08115	1.7
117.07030	7.3
118.07794	0.8
119.08586	27.5
121.06521	3.3
121.10155	7.0
123.08049	1.9
123.11680	1.2
125.09633	1.4
128.06194	0.7
129.07021	2.0
131.08582	12.0
133.06468	1.1
133.10138	29.4
135.08058	3.9
135.11713	3.5
137.09605	3.0
139.11110	0.9
141.07016	1.0
143.08569	2.3
145.10130	10.5
145.11186	1.2
147.08069	1.4
147.11691	16.9
149.09660	5.6
149.13260	1.5
151.11188	2.5
153.83597	0.7
155.08560	1.6
157.10088	2.5
159.11702	7.1
161.09618	2.0
161.13277	4.2
163.11174	5.4
165.12788	1.9
169.10115	1.5
171.11662	2.0
173.09622	1.2
173.13283	4.1
175.11212	0.9
175.14880	1.4
177.12733	2.1
183.11693	2.5
187.11145	1.2
187.14754	1.2
191.14275	1.4
197.13266	2.2
201.12918	1.0
205.12323	0.9
214.05573	0.8
215.17915	1.6
229.19550	3.3
239.17960	6.5
247.20566	3.4
257.19031	11.5
275.20081	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.07676	1.2
55.05505	5.0
57.07075	7.5
67.05502	7.3
69.03423	1.4
69.07059	5.6
69.86591	6.9
70.06600	6.5
71.05002	12.4
71.06933	2.3
71.08619	2.4
74.37776	1.2
74.41194	1.1
74.69513	1.1
79.05499	7.1
81.07076	9.3
83.04977	5.3
83.08625	3.7
85.06554	8.0
88.07639	12.5
89.07972	3.1
91.05485	8.1
93.07058	18.0
95.04961	4.2
95.08619	17.0
97.06516	2.6
98.20833	1.8
102.09200	1.7
105.07030	17.4
106.08654	5.4
107.08567	13.6
109.06524	11.3
109.10165	7.5
111.08089	15.4
115.05450	3.0
117.07027	3.7
119.08591	19.1
121.10153	18.9
123.08028	2.6
123.11700	4.2
128.06218	1.4
129.06996	3.6
131.08580	18.8
133.10144	21.2
135.08063	21.2
135.11687	4.2
137.09625	10.9
142.07770	4.9
143.08563	11.6
144.09337	3.0
145.10138	20.7
147.11717	6.8
149.09630	4.0
149.13257	2.2
151.11156	2.0
155.08611	2.4
156.09375	2.7
157.10161	16.9
158.10918	5.9
159.11696	29.2
161.09619	4.6
161.13281	1.4
163.11121	2.6
168.09421	2.1
169.10182	4.4
170.10979	1.3
171.11682	10.7
173.11798	2.3
173.13283	46.0
174.14027	4.7
175.11182	5.8
175.14827	3.7
177.12791	5.7
181.10344	1.4
183.11693	10.4
184.12425	2.4
185.13203	2.6
187.11143	3.8
187.14781	6.0
189.12802	1.3
191.14322	5.8
197.13274	5.3
199.14818	15.3
201.12720	9.2
213.16385	5.4
215.14308	2.0
215.17981	6.0
217.15968	3.5
219.13559	1.3
239.17981	6.7
257.18991	20.7
257.26804	4.9
275.20102	27.6
275.27780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.91879	0.9
53.03935	2.2
55.01857	2.9
55.05275	1.0
55.05516	12.9
57.03444	1.4
57.07058	1.0
59.05003	0.8
61.31775	0.7
65.03942	1.2
67.05508	19.7
69.03424	1.1
69.07069	9.1
70.56770	2.1
71.04982	2.9
77.88375	0.8
79.05492	27.5
81.07061	21.7
83.04968	2.6
83.08617	3.7
85.06532	1.7
91.05483	44.8
93.07045	18.1
95.04987	4.9
95.08617	12.5
97.06538	3.6
97.10162	2.3
101.06021	2.4
103.05452	1.4
105.07039	48.2
107.04954	9.9
107.08590	9.3
109.06520	4.9
109.10163	5.4
111.08060	2.8
117.07021	10.9
119.08585	27.6
121.06493	4.0
121.10133	8.4
123.08077	1.9
123.11669	1.3
123.61512	0.8
125.09628	1.4
129.06969	4.2
131.08568	19.4
133.06505	0.8
133.10132	36.5
135.08044	2.5
135.11719	4.1
137.09612	2.2
141.06996	1.7
143.08577	2.3
145.10123	12.8
147.08043	1.1
147.11691	16.5
149.09628	7.4
149.13255	1.5
151.11212	1.5
155.08575	2.1
157.10181	4.6
159.08054	1.3
159.11705	11.7
161.09637	1.7
161.13232	4.4
163.11183	2.0
165.12726	2.2
169.10117	2.6
171.11702	3.8
173.09605	0.9
173.13260	4.9
175.11180	2.0
175.14755	1.5
177.12730	2.1
183.11707	3.5
185.13304	1.1
187.11172	1.8
189.12723	1.5
191.14279	1.5
193.12196	0.9
195.13867	1.1
197.13315	2.8
201.12698	1.2
205.11963	1.0
206.34807	0.9
211.14894	1.0
215.14383	1.6
215.18010	1.7
216.93243	0.9
219.13843	1.1
229.19501	1.8
233.15408	1.2
239.17979	5.1
247.20497	1.7
257.19003	9.1
268.49640	0.8
275.04840	1.2
275.20078	100.0
276.20529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.4
55.01863	3.8
55.05516	11.4
57.03437	5.3
57.07071	1.2
65.03934	1.3
67.05511	21.4
69.06800	0.8
69.07072	9.9
70.97151	1.1
71.04988	3.5
79.05500	21.9
81.03415	1.1
81.06599	1.5
81.07060	29.9
83.04981	3.3
83.08620	5.1
85.06538	2.7
91.05484	36.8
93.06484	1.6
93.07048	22.7
95.04964	3.1
95.08607	14.3
97.06522	3.3
97.10155	1.6
103.05467	1.0
105.07035	49.1
107.04944	5.7
107.08596	16.6
109.06527	8.2
109.10158	7.9
111.08067	3.7
115.05466	1.0
117.07027	10.6
118.07410	0.8
119.08585	31.8
121.06516	3.7
121.10160	9.9
123.08071	6.3
123.11696	1.7
125.09602	1.1
126.76401	0.8
128.06300	1.0
129.06998	3.5
131.08578	14.6
133.02423	0.8
133.06511	1.6
133.10141	34.5
135.08047	8.6
135.11693	6.9
137.09615	2.6
143.08592	4.3
144.09296	1.2
145.10138	16.6
147.08026	1.3
147.11684	17.9
149.09607	5.7
149.13266	1.5
151.11223	1.8
155.08511	2.4
156.09306	1.0
157.10106	5.9
158.10936	1.3
159.11716	13.2
161.09702	2.1
161.13248	5.7
163.11182	5.0
165.12865	1.4
169.10138	3.4
171.11746	3.7
173.13272	12.0
175.11203	3.2
175.14857	2.9
177.12733	2.9
183.11676	4.6
185.13272	2.6
187.11298	2.0
187.14766	1.8
189.12828	1.2
191.14360	2.2
197.13275	3.8
199.14821	2.7
201.12717	2.7
201.16510	1.4
203.14342	2.9
213.16444	1.5
215.18030	1.5
217.15968	1.4
229.19577	3.4
239.17921	6.5
247.20619	3.5
253.11617	0.9
257.19006	12.3
275.20078	100.0
275.27637	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85374	20.8
70.09172	58.5
70.09592	29.5
96.17319	20.0
103.48074	17.1
162.91777	22.8
175.41402	18.5
200.64542	20.7
248.99319	17.8
260.55447	17.1
273.70288	17.0
275.01672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	89.1
67.34245	6.7
69.49240	35.1
70.98127	100.0
71.95288	5.1
84.08141	5.3
88.99152	11.4
98.97589	92.5
110.97569	11.1
116.98632	21.8
128.98616	15.3
138.00739	6.3
146.99698	17.9
154.96524	37.3
156.98102	7.7
165.00755	9.1
172.97601	94.9
174.99149	16.1
186.99187	9.8
190.98647	55.5
193.00287	11.8
200.97112	11.1
203.04155	6.8
205.00255	14.8
214.98611	17.5
218.98132	21.1
232.99706	66.3
236.99159	11.1
251.00764	26.1
256.96451	11.6
274.97534	34.3
275.01633	24.6
286.36737	5.2
292.98587	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	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03947	3.4
55.01876	2.3
55.05518	15.7
57.03441	1.5
57.07068	4.6
65.03954	1.2
65.95433	1.1
67.05512	21.3
69.03436	7.1
69.07082	10.7
70.06620	1.3
70.30480	2.8
70.30843	2.4
71.04987	5.0
72.58372	1.1
79.05503	39.5
81.03410	2.4
81.07073	13.6
83.04983	14.2
83.08604	4.9
84.08141	2.9
85.06552	42.6
91.05491	13.2
93.07048	17.6
95.04971	5.5
95.08617	20.7
97.06532	3.6
97.10196	1.7
99.04444	2.7
99.08101	18.4
103.05450	1.5
105.07049	17.7
107.04973	22.3
107.08605	18.8
109.06510	4.5
109.10168	25.4
109.10929	1.4
111.08083	2.9
113.09676	2.6
117.07056	3.9
119.08595	24.2
121.06544	8.0
121.10156	40.3
122.07305	13.4
123.08089	6.6
123.11716	3.8
125.06004	3.0
125.09626	7.1
129.07039	2.9
131.08569	8.6
133.06508	1.3
133.10130	16.4
135.08057	9.0
135.11697	15.4
137.09630	100.0
139.11220	6.7
143.08582	4.3
145.06516	2.9
145.10127	15.5
147.08002	3.0
147.11697	9.1
149.09608	9.6
149.13280	3.5
151.11195	2.1
153.12727	1.6
155.08591	2.1
155.10675	1.1
156.09299	2.1
157.10181	5.5
158.10959	1.7
158.94014	1.3
159.08060	4.8
159.11719	11.4
161.09621	9.0
161.13286	5.7
163.07585	2.3
163.11198	13.5
163.14883	6.3
164.71472	1.3
171.11722	3.3
173.09688	3.0
173.13277	21.6
175.11218	4.4
175.14824	4.3
177.12781	4.1
179.10641	2.1
179.14401	2.6
183.11774	2.7
187.11253	3.0
187.14806	7.2
189.12814	2.3
191.14334	16.4
197.13260	2.8
197.15399	3.5
199.14848	4.5
201.12784	11.3
203.14250	2.0
213.16425	1.4
215.14319	6.6
215.17970	2.1
217.15933	10.5
219.13792	12.9
221.15378	1.8
229.19502	4.1
231.17430	1.8
239.16072	1.5
239.18172	2.7
257.19202	14.7
275.09222	2.8
275.20105	74.0
275.23230	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67315	0.3
56.96568	7.7
61.21006	0.3
61.60481	0.3
71.50906	0.5
71.51263	0.3
71.95267	2.7
80.02813	0.2
82.99862	0.5
98.97588	100.0
101.00888	3.9
103.00616	0.5
116.98626	34.2
119.01918	5.9
119.02717	0.4
120.02005	0.6
121.01665	1.0
124.02439	0.3
130.93304	1.1
132.95741	0.3
134.99666	6.9
137.02951	0.7
140.00195	0.7
140.33806	0.2
142.03499	2.3
143.01974	0.6
143.03539	0.3
154.93289	0.4
157.03502	0.4
158.01260	0.3
160.04594	0.6
160.99770	0.3
161.02991	0.8
172.94356	4.9
175.04625	0.3
177.00911	1.9
178.01181	0.3
179.00694	0.8
190.95457	2.5
196.94417	0.3
197.95134	0.3
208.96461	0.4
214.95424	3.3
219.01968	1.1
220.94496	0.7
221.94391	0.6
222.94330	0.5
228.98862	0.7
232.96474	5.0
238.95561	4.4
239.45564	0.3
239.95570	5.5
240.45586	1.0
240.49632	1.2
240.95308	4.2
240.98869	1.1
241.95665	0.4
242.45949	0.5
242.48633	0.5
242.95876	0.4
243.01938	0.5
248.46140	0.6
248.96077	7.7
249.46068	2.4
249.95934	0.8
249.99347	4.3
250.97401	1.6
251.46326	10.3
251.49190	0.8
251.96378	3.0
252.46252	1.0
256.96524	25.7
257.96811	3.7
258.96417	8.0
258.99890	0.7
259.96497	1.5
260.46857	8.4
260.96970	3.4
261.03107	2.8
261.46692	0.8
261.50146	1.0
262.47202	0.3
262.97141	3.3
262.99915	0.6
263.02725	0.5
263.47250	1.4
263.49722	0.4
263.97052	0.4
271.97629	2.1
272.47757	0.5
274.97513	72.4
275.97830	1.0
276.97513	1.4
283.00015	1.2
292.98563	27.4
294.99026	0.3
297.99069	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.44747	1.0
51.55281	1.1
53.03934	3.4
54.17368	1.2
55.05243	1.2
55.05516	24.8
56.96553	2.3
57.07074	7.3
65.03936	1.9
67.05187	1.6
67.05511	26.3
69.03442	1.8
69.07068	34.2
71.08624	2.6
71.52463	2.0
71.76408	1.2
73.48759	1.3
73.54005	1.3
79.05498	13.3
81.03398	3.8
81.07062	51.1
83.04965	4.5
83.08620	16.7
85.06518	1.2
91.05477	13.6
93.06491	2.1
93.07050	36.1
95.04971	2.9
95.08612	56.5
97.02892	1.2
97.06535	5.7
97.10178	7.8
99.00784	1.3
105.07039	29.5
107.04907	3.4
107.08604	41.5
109.06497	1.3
109.10164	51.2
111.08087	14.1
111.11706	3.9
117.07020	4.0
119.04933	1.4
119.08584	26.1
121.10154	36.5
123.04359	2.2
123.11712	23.9
125.09665	1.5
125.13243	1.3
125.98507	1.2
128.06145	1.6
129.06973	3.2
131.08562	4.3
133.06534	2.3
133.10132	22.6
135.11702	22.3
137.09535	1.4
137.13264	12.4
139.07535	8.1
141.10846	1.3
143.08566	2.9
145.10121	7.8
147.04391	6.3
147.08138	1.6
147.11700	22.1
149.09724	1.6
149.13271	30.3
151.14763	5.1
153.01842	16.3
153.06953	1.8
157.10144	3.5
159.08046	1.9
159.11700	5.8
161.13258	31.4
163.14838	25.4
165.16379	2.7
171.11665	3.5
173.09583	1.4
173.13219	3.4
175.11234	1.3
175.14839	13.7
177.16386	15.4
181.06589	1.1
185.13284	1.7
189.12764	1.5
189.16396	14.9
191.17987	8.2
199.11153	1.6
199.14899	1.5
203.16248	2.1
203.17966	18.9
213.09125	1.3
213.16357	2.6
217.19537	17.6
231.21059	5.1
255.17459	4.6
255.21144	7.1
273.07419	13.3
273.15564	2.4
273.18488	15.7
273.22238	14.3
273.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01874	1.2
55.05505	1.8
56.96569	1.0
57.07063	0.7
58.06589	1.0
60.04517	1.2
60.05640	1.5
61.01143	2.0
67.05500	0.8
68.05010	1.9
69.03419	1.5
69.07063	1.7
69.70065	4.2
70.02915	0.8
70.06599	18.8
72.07805	1.0
72.08156	9.9
76.95184	0.6
79.05511	0.8
81.07040	1.4
82.06580	0.8
84.04508	3.1
84.08148	5.0
84.97458	0.7
85.02919	0.9
85.86967	0.7
86.06075	7.6
86.09708	9.4
87.04472	33.2
88.03989	3.5
88.04927	0.7
88.07610	0.9
88.56260	0.6
91.05479	1.4
93.07048	7.3
93.12851	0.6
94.07307	0.8
95.06085	1.4
95.08580	0.8
97.02858	0.7
98.06055	8.2
98.97543	1.0
99.04459	1.6
102.05563	1.3
104.07087	1.1
106.08717	0.8
110.09677	6.4
111.04423	0.9
111.08065	1.7
111.95145	0.6
112.08708	2.2
115.08688	2.0
116.07083	1.9
116.98556	1.0
118.06886	6.0
120.08141	1.3
121.06490	1.5
124.07572	3.8
126.05477	1.9
128.07074	7.4
128.09807	1.4
128.10716	19.3
129.10254	3.0
133.06104	1.1
136.07542	1.3
137.05984	1.4
138.05470	1.8
138.09160	1.1
140.07059	1.4
140.08127	0.7
143.08130	2.1
143.11801	2.2
144.06540	2.2
152.07053	1.5
154.04997	1.5
154.07391	0.8
156.06566	1.2
157.13370	0.8
161.09213	2.0
168.06563	1.1
170.11754	2.5
175.11913	1.7
178.12311	3.7
183.55235	0.7
188.11423	0.7
188.12888	10.3
196.13344	2.4
206.11804	1.9
208.86790	0.6
214.09380	0.7
214.14386	21.9
215.03426	0.8
225.17198	0.9
231.08063	1.3
238.14514	1.1
257.44278	0.7
259.07605	0.7
265.64142	1.8
274.16479	100.0
274.27335	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03945	1.6
53.18383	1.0
53.70590	0.9
54.17781	0.9
55.05514	12.2
57.07080	7.6
57.54297	1.0
60.26678	1.0
62.09731	1.0
63.05354	1.0
65.03944	1.4
67.05182	1.3
67.05508	18.4
69.07072	31.1
70.01174	3.8
71.08603	2.0
79.05493	11.7
79.19683	1.0
81.07062	60.6
83.08628	12.9
85.10170	1.2
86.34097	0.9
91.05470	10.0
93.07048	32.5
95.04955	1.4
95.08610	69.9
97.10173	11.3
103.05437	1.2
105.06403	1.7
105.07043	22.4
107.08595	51.8
109.10163	54.0
111.11718	3.8
119.08579	21.7
121.10150	43.7
121.10886	0.7
121.11048	1.7
123.10838	2.3
123.11714	40.7
133.10136	13.9
135.11697	30.4
137.13246	11.8
147.11694	19.3
149.13264	49.2
151.14825	6.6
159.11708	2.0
160.12498	1.2
161.13254	27.0
163.14816	24.1
165.16376	3.2
175.14827	12.6
177.14867	1.1
177.16423	18.0
184.07623	1.1
189.16383	18.3
191.17946	10.8
191.19598	1.4
203.17969	15.4
217.19501	30.3
231.21071	4.2
245.22823	1.1
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03948	1.9
55.01884	1.2
55.05513	20.1
56.96574	1.6
57.03428	0.7
57.07074	4.1
65.03946	1.4
67.05508	30.7
69.07072	37.3
71.04997	1.4
71.08633	1.5
71.52816	1.3
75.46496	0.7
79.05497	21.7
79.46951	0.7
81.03420	1.2
81.07059	100.0
83.04990	2.2
83.08622	15.5
85.02877	0.9
91.05487	10.9
93.07048	43.8
95.05005	3.6
95.08611	76.2
97.06538	4.1
97.10175	13.0
98.97626	0.9
99.04463	2.6
103.05471	0.7
105.07038	22.8
105.98660	0.8
107.04951	1.4
107.08601	62.7
109.06525	1.8
109.10162	56.9
111.08077	2.6
111.11726	6.3
117.07030	2.6
119.06067	0.8
119.08593	18.4
121.06518	1.3
121.10149	42.5
123.08083	1.0
123.11713	30.3
125.13293	1.0
128.06235	1.3
129.07051	1.6
131.08572	4.5
133.06488	1.3
133.10138	12.8
135.07982	1.0
135.11697	33.6
137.09648	1.0
137.13264	9.0
139.07538	0.9
141.06943	0.9
142.07758	1.0
143.08545	2.2
145.10124	5.7
147.08014	1.3
147.11710	13.1
149.05989	1.4
149.13269	49.9
151.07608	1.0
151.14825	3.5
152.06171	1.0
153.07007	1.5
155.08549	1.1
157.10153	3.2
159.11713	4.4
161.09576	1.3
161.13274	21.2
163.03925	0.8
163.11197	1.4
163.14828	57.4
165.16420	1.1
169.10037	1.1
171.08173	1.1
171.11674	3.3
173.02344	3.3
173.09583	1.2
173.13223	4.6
175.11139	1.1
175.14844	8.9
177.05432	1.4
177.16406	26.4
181.06467	1.8
185.09624	1.0
185.13271	1.9
187.14777	2.0
189.12733	1.1
189.16394	8.4
191.17943	12.4
197.13222	2.0
199.11174	1.2
199.14630	1.1
203.17970	15.3
213.09087	1.5
213.16396	2.6
215.06993	1.9
215.14320	2.4
217.19528	15.4
227.17989	1.2
231.21039	2.8
241.08594	2.9
255.17453	3.5
255.21141	8.5
273.07431	1.3
273.11230	4.0
273.15524	1.4
273.18497	16.8
273.22192	13.1
273.25748	86.8
283.35959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta5-steroid
Peak:m/z	Relative Intensity
53.03947	0.8
55.05516	2.8
60.28386	0.3
65.03934	0.4
67.05512	6.4
69.07067	1.7
77.03925	0.5
79.05499	9.6
81.07065	12.0
82.69296	0.4
83.08625	3.4
91.05486	7.7
91.06033	0.7
93.07050	13.6
95.04943	0.5
95.08615	14.6
97.06545	0.5
97.10162	2.1
103.05473	0.4
105.07039	51.6
107.08600	14.2
109.06528	1.2
109.10165	6.8
111.08098	0.4
117.07010	3.3
119.08590	18.4
121.09331	0.6
121.10151	7.8
123.08085	0.9
123.11733	1.6
129.07022	0.6
130.07845	0.5
131.08583	6.5
133.09123	0.8
133.10143	15.5
135.11700	7.8
137.09628	5.5
143.08546	2.1
144.09334	0.8
145.10141	13.3
147.11694	18.2
149.13258	3.9
151.11189	1.4
157.10217	1.8
159.11705	17.4
161.13266	100.0
162.13629	0.6
163.11180	6.2
163.14883	0.5
165.12756	0.4
171.11658	1.8
173.13257	7.4
175.14859	0.9
177.12772	0.9
185.13268	3.4
187.14809	2.3
189.16342	0.5
191.14207	0.7
199.14865	5.1
200.15472	0.4
201.16426	0.4
203.17920	0.4
213.16377	4.3
215.17970	15.2
226.17085	0.4
227.17969	1.3
228.40613	0.4
229.19603	0.4
240.18845	0.5
255.21101	55.0
256.21347	0.5
273.22137	85.0
274.22507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78778	0.3
53.03947	1.1
55.01875	0.3
55.05510	4.2
57.07063	0.5
59.04998	0.3
65.03938	0.6
67.05503	9.1
69.07069	3.7
70.92672	0.3
71.04998	0.4
71.08625	0.3
77.03960	0.4
79.05493	10.2
81.07059	14.3
83.04998	0.6
83.08617	4.5
86.13320	0.3
91.05482	10.8
93.07046	14.5
95.04977	3.3
95.08611	17.1
97.06515	0.6
97.10184	3.0
103.05495	0.5
105.07033	61.2
107.04943	0.4
107.08600	15.1
109.06494	1.8
109.10161	7.6
115.05442	0.5
117.07018	3.6
119.08586	22.3
121.06518	0.5
121.10149	9.3
123.08064	1.0
123.11715	2.4
128.06229	0.5
129.06985	1.7
130.07761	0.5
131.08569	7.3
133.10132	16.4
135.08078	0.5
135.11688	8.7
137.09618	5.0
141.06937	0.3
142.07776	1.2
143.08571	2.7
144.09346	0.8
145.10127	14.2
147.11691	21.9
149.09634	0.5
149.13239	3.8
151.11203	1.4
156.09314	0.5
157.10150	4.9
159.11696	17.7
161.13258	100.0
163.11211	6.2
163.14836	0.7
165.12723	0.6
167.34525	0.3
169.10185	0.3
171.11700	3.2
173.13266	8.6
175.14824	1.3
177.12689	0.4
185.13252	3.8
186.14063	0.5
187.14861	1.8
189.16319	0.4
191.14317	0.9
199.14835	5.9
199.38295	0.3
201.16374	0.5
213.16402	11.4
215.17955	16.6
226.17220	0.4
227.17926	1.9
231.17387	1.9
255.21086	50.0
256.21405	0.4
273.18738	4.5
273.22116	80.7
274.22418	0.7
274.27432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta5-steroid
Peak:m/z	Relative Intensity
53.03942	0.6
54.52611	0.2
55.05511	3.0
58.25063	0.2
58.76096	0.2
63.78470	0.2
65.03933	0.4
67.05507	6.9
69.03419	0.2
69.07073	2.4
69.63960	0.4
69.64359	1.0
77.03917	0.4
79.05493	8.4
81.07059	11.7
83.04977	0.4
83.08617	3.2
87.27801	0.2
91.05482	8.9
93.07044	12.8
93.83150	0.2
95.04981	0.5
95.08610	14.0
97.06510	0.4
97.10170	1.7
103.05509	0.3
105.07034	47.2
107.08598	13.1
109.06532	0.7
109.10166	6.1
111.06792	0.2
117.07023	3.1
119.08585	18.1
121.10148	8.0
123.08064	0.9
123.11700	2.1
125.09670	0.2
129.07013	0.8
130.07803	0.3
131.08571	6.2
133.10133	13.2
135.08070	0.4
135.10695	0.4
135.11694	6.9
137.09608	3.5
142.07809	0.3
143.08571	1.6
144.09354	0.8
145.10126	10.4
147.11693	17.9
149.13258	3.2
151.11201	1.1
155.08463	0.2
157.10109	1.8
158.10847	0.3
159.11699	16.6
161.13257	100.0
162.13620	0.5
163.11201	5.0
163.14816	0.5
165.12823	0.5
171.11674	1.9
172.12436	0.3
173.13263	7.6
175.14827	0.9
177.12743	0.5
185.13268	2.8
186.14029	0.3
187.14809	1.9
189.16370	0.6
191.14320	0.6
197.13158	0.3
199.14822	4.7
200.15651	0.3
201.16348	0.3
211.14799	0.4
213.16408	3.7
215.17958	11.7
226.17155	0.5
227.18002	1.4
229.19478	0.4
246.55951	0.2
255.21086	44.6
256.21701	0.2
273.22125	71.2
274.22394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03947	0.7
55.05514	4.2
57.07057	0.3
63.02343	0.2
63.62260	0.2
65.03938	0.4
67.05509	8.3
69.07077	2.9
69.64172	1.4
71.05002	0.3
71.34769	0.2
72.08198	0.2
73.47401	0.3
77.03928	0.3
77.50169	0.2
79.05496	9.1
81.07060	13.2
83.08623	5.6
85.06542	0.5
91.04900	0.4
91.05485	10.0
93.07048	15.2
95.04982	1.7
95.08613	18.1
97.06514	0.8
97.10173	3.1
98.21490	0.4
103.05485	0.6
105.07037	67.5
107.04956	0.4
107.08596	14.2
109.06536	1.7
109.10159	7.9
111.08105	0.4
117.07009	4.1
119.02957	0.3
119.08585	23.3
121.10153	8.7
121.11046	0.4
123.08093	0.7
123.11705	2.7
129.07016	1.0
130.07777	0.6
131.08572	7.2
133.10139	16.9
135.08058	0.4
135.11705	7.6
135.12726	0.4
137.09627	6.8
143.08542	2.1
144.09337	0.6
145.10130	14.9
146.10936	0.3
147.11696	21.4
149.09624	0.6
149.13275	3.4
151.11176	1.1
157.10127	2.5
159.10678	0.4
159.11700	18.3
161.13260	100.0
162.13628	0.3
163.11192	6.9
163.14836	0.7
165.12770	0.4
171.11687	2.1
173.13269	10.2
175.14827	1.7
177.12747	0.8
185.13232	3.2
186.14008	0.5
187.14832	2.9
191.14317	0.8
197.13297	0.3
199.13005	0.4
199.14812	5.6
201.16370	0.4
213.16368	5.1
215.17963	22.2
226.17177	0.3
227.17921	1.9
229.19501	0.6
231.21103	0.3
240.18585	0.4
255.21088	55.8
256.21356	0.4
273.22131	77.5
274.22610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.01596	2.1
51.02380	9.3
53.03950	14.6
55.01864	4.7
55.05511	18.5
56.96560	5.9
57.03450	1.5
57.07077	2.4
64.25968	1.2
65.03941	4.6
67.05510	63.9
68.99765	1.8
69.03413	2.2
69.07075	13.6
69.76756	6.0
71.04988	3.7
77.03935	88.4
79.05489	19.8
81.03420	11.3
81.07059	32.5
83.04977	5.2
83.08620	5.9
85.06511	1.6
91.05485	45.7
91.89584	1.3
93.07056	15.7
95.04974	71.5
95.08611	35.1
97.02891	1.3
97.06529	5.0
97.10172	3.1
98.20760	2.2
98.97602	3.0
103.05485	2.9
105.03400	100.0
105.04417	7.7
105.07042	24.1
105.07716	2.6
107.04977	9.5
107.08588	11.7
109.06524	5.8
109.10159	20.1
111.04423	1.7
111.08108	3.2
115.05450	3.6
116.06282	2.1
117.07021	14.3
119.04932	1.8
119.08604	14.4
121.06514	8.3
121.10165	6.0
123.04434	38.7
123.08009	2.1
123.11742	3.6
128.06219	11.1
128.98680	1.4
129.07022	16.4
130.07741	1.6
131.04994	2.4
131.08574	20.2
133.06502	6.4
133.10136	9.2
133.74414	1.3
135.08075	7.8
135.11679	4.7
137.09633	3.6
141.06989	4.8
142.07788	3.2
143.08582	15.0
144.05717	2.4
144.98128	1.6
145.06506	8.2
145.10135	14.5
147.08052	6.8
147.11653	8.9
149.05919	2.3
149.09659	3.0
149.13271	4.4
153.06970	3.3
154.07814	2.0
155.06061	2.4
155.08562	3.7
156.09384	3.1
157.06516	4.6
157.10146	11.2
159.08073	10.7
159.11682	7.1
161.09642	4.6
161.13251	13.6
163.14828	1.9
167.08588	3.7
168.09267	1.8
169.10167	3.6
170.10857	1.8
171.08040	10.8
171.11697	7.0
173.09634	6.5
173.13277	6.6
175.11227	5.5
175.14923	1.6
181.10121	4.8
183.11703	1.8
185.09654	6.7
185.13304	3.2
187.14774	3.3
189.12767	5.6
195.11754	3.1
197.13277	3.1
199.11267	2.7
209.13234	1.7
211.14874	2.7
213.12660	1.5
213.16402	6.7
215.06468	1.8
215.14357	4.4
217.12227	2.2
227.17989	3.2
231.17477	4.8
237.16496	2.8
245.19112	2.2
255.17519	11.6
255.21104	3.8
273.07626	1.3
273.11279	2.1
273.15457	3.4
273.18518	80.2
273.22058	6.6
273.25992	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.35793	0.6
50.44786	0.5
53.03934	2.1
55.01862	3.1
55.05512	21.7
56.13741	0.5
57.03438	1.1
57.07074	1.0
59.05014	0.8
60.38296	0.6
65.03923	1.2
65.28095	0.5
67.05504	12.3
69.03450	1.3
69.07069	9.2
71.04975	1.7
71.52946	0.7
79.05490	13.2
81.03394	1.0
81.07059	16.9
83.04969	2.4
83.08624	8.4
85.06546	1.0
91.05486	28.3
93.06490	1.0
93.07047	14.1
95.04942	1.9
95.08608	12.5
97.06499	1.6
97.10185	6.0
99.08116	0.6
103.05459	1.9
105.03395	0.7
105.07033	29.6
107.04935	2.5
107.08601	8.4
109.06516	2.9
109.10187	3.6
110.97649	0.6
111.04367	0.5
111.08068	1.0
114.61186	0.6
115.05451	4.1
116.06216	3.9
117.07021	23.2
119.04954	1.4
119.08585	15.0
121.06518	2.2
121.10138	2.6
123.04423	0.6
123.08114	2.8
123.11708	1.0
125.09626	2.3
128.06219	7.5
129.07016	12.1
130.07785	7.9
130.08669	1.0
130.41145	0.6
131.08569	53.9
132.09306	0.9
133.06497	3.8
133.10130	7.8
135.08014	3.4
135.11661	1.9
137.09598	0.7
141.06978	2.5
142.07774	2.1
143.08565	46.1
144.09335	2.5
145.06470	2.1
145.10124	64.7
147.08055	7.2
147.11710	3.8
149.09602	2.7
155.05984	0.9
155.08554	2.5
156.09399	1.0
157.10143	12.2
158.10880	1.4
159.08073	4.0
159.11691	12.8
159.12891	1.1
161.09645	6.8
161.13266	8.4
163.07457	0.7
163.11195	2.0
165.07024	0.8
167.08594	0.8
169.10114	6.9
171.11678	9.5
173.09613	2.1
173.13287	3.6
175.11171	2.5
181.10143	4.2
183.11705	2.1
185.09645	1.3
185.13268	2.6
187.11159	1.0
189.12737	1.7
195.11690	7.1
199.11214	1.2
199.14796	1.4
201.12695	0.9
209.13202	1.8
211.14793	1.4
213.12813	1.9
213.16292	1.1
217.15829	0.9
227.17961	4.0
231.13840	0.8
237.16394	10.1
245.19064	2.9
255.17458	15.9
255.21095	2.9
273.18506	100.0
273.21863	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01867	0.9
55.05507	4.2
57.03445	1.0
57.07061	3.2
57.15009	0.7
64.20856	0.7
65.03931	1.1
67.05502	7.8
69.03429	1.4
69.07069	7.0
69.59178	5.1
71.04979	2.2
77.03947	0.9
79.05495	11.0
81.03397	1.4
81.07053	10.5
81.07483	1.3
83.04970	1.6
83.08605	2.8
85.06528	3.4
88.84451	0.8
89.86083	0.8
91.05471	13.5
93.07047	13.1
95.04976	4.9
95.08609	9.0
97.06528	2.8
103.05494	0.9
105.07034	26.1
107.04935	1.4
107.08609	15.1
109.05798	1.4
109.06519	18.1
109.10158	5.7
111.08068	4.3
115.05428	2.5
116.06207	1.1
117.07003	7.1
119.04933	4.1
119.08587	21.5
121.06489	1.7
121.10147	15.4
123.04430	1.0
123.08072	2.6
128.06223	3.6
129.07018	8.4
130.07759	3.1
131.08569	11.7
133.06511	9.6
133.10135	13.0
135.08054	6.9
135.11700	3.6
137.09621	2.2
139.07527	1.4
139.11160	0.8
141.06958	4.6
142.07797	6.5
143.08574	16.9
144.09331	2.2
145.06493	1.1
145.10121	16.6
146.07317	0.7
147.04428	7.4
147.08046	3.9
147.11681	9.8
149.09630	6.9
149.13243	1.9
153.01831	19.4
153.07092	1.1
154.07771	1.8
155.08566	12.1
156.09341	13.3
157.06505	1.3
157.10127	21.1
158.07289	2.1
158.10873	2.6
159.08058	3.0
159.11688	8.0
161.09662	5.5
161.13254	12.4
163.11169	1.3
163.14868	1.5
165.07011	3.0
166.07782	2.9
167.08592	5.0
167.10698	3.1
168.09328	1.7
169.10129	15.7
170.10892	4.9
171.11694	25.3
172.12520	1.9
173.09633	15.6
173.13216	6.7
174.10344	1.3
175.11194	7.0
180.09409	1.9
181.06517	1.0
181.10104	7.4
182.10945	7.9
183.11678	9.5
184.08920	1.2
184.12457	2.3
185.09657	1.8
185.13287	7.7
187.11195	3.3
187.14841	3.3
188.96034	0.8
189.12755	14.7
193.10126	2.1
194.10934	1.8
195.11739	7.4
195.84128	1.1
196.12433	4.7
197.09581	1.6
197.13272	33.0
198.13985	3.0
199.11169	15.1
199.14879	1.6
200.11964	1.6
207.11647	4.1
208.12469	2.4
209.13298	3.4
211.11266	1.4
211.14813	14.7
212.11993	1.5
212.15613	9.5
213.09100	1.0
213.12798	3.2
213.16370	21.9
214.13469	1.5
215.14354	8.5
217.12213	2.2
222.13937	3.7
225.12762	4.8
226.13469	1.4
227.14287	9.4
227.17897	1.8
229.15875	8.3
230.16699	2.6
231.17537	4.3
237.16367	6.7
240.15073	6.5
243.13878	1.3
255.17451	49.3
255.20966	4.5
273.07565	15.5
273.18512	100.0
273.21957	7.0
280.30954	0.9
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
53.03942	1.4
55.01885	3.0
55.05516	8.4
57.03440	1.5
65.03939	1.1
67.05511	14.7
69.03437	1.8
69.07074	5.6
71.04987	1.2
71.52346	0.9
79.05499	14.4
81.03430	1.0
81.07069	15.4
83.04991	1.9
83.08615	5.3
85.06532	0.6
91.05489	24.2
93.07053	15.5
95.04988	2.2
95.08613	15.2
97.06565	1.2
97.10168	2.4
103.05461	1.2
105.07040	42.5
107.04958	2.6
107.08603	12.4
109.06513	3.3
109.10175	7.2
111.04465	1.4
111.08101	0.7
115.05470	2.0
116.06258	1.5
117.07028	13.1
119.08586	25.5
121.06538	2.2
121.10158	5.3
123.08086	1.3
123.11736	1.6
125.09636	1.0
128.06252	2.2
129.07005	6.4
130.07788	2.9
131.08583	29.1
133.06490	3.0
133.10143	11.6
135.08089	2.1
135.11656	4.7
137.09633	2.8
141.07016	1.3
142.07765	1.4
143.08572	8.6
144.09386	0.8
145.06432	1.1
145.10132	26.2
145.12549	0.8
147.08060	10.0
147.11694	13.7
149.09650	2.3
149.13272	2.0
151.11209	0.8
155.08551	1.5
156.09439	0.8
157.06560	1.0
157.10150	7.1
159.08067	3.8
159.11707	14.2
161.09657	6.0
161.13268	63.4
163.07509	0.7
163.11214	4.9
167.08580	0.7
169.10132	1.4
169.11432	0.6
169.35049	0.6
171.11697	4.9
173.09619	3.0
173.13261	6.5
175.11209	3.7
175.14880	0.7
177.09128	1.5
177.12784	1.0
178.84877	0.7
181.10147	1.3
183.11711	1.4
185.09665	1.5
185.13292	2.6
187.11198	1.2
187.14856	1.7
189.12801	1.5
189.16386	0.7
195.11732	1.9
197.13277	1.1
199.11238	2.0
199.14896	3.5
203.10829	1.1
205.12277	0.9
205.97672	0.6
211.14870	0.8
211.20210	0.8
213.16461	3.7
215.17943	7.0
218.40581	0.6
223.74466	0.6
227.18007	4.2
237.16389	3.5
239.04161	0.7
245.18983	2.8
255.17487	9.5
255.21109	30.9
273.18527	100.0
273.22122	47.7
273.29996	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1853
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03940	5.3
54.62182	1.2
55.01874	2.7
55.05516	13.8
57.03426	2.0
57.07071	5.0
59.04995	3.6
59.13935	1.4
62.97661	1.1
65.03950	2.9
67.05510	25.4
69.03436	13.5
69.07073	12.6
69.68582	8.4
71.04986	4.6
72.08107	1.4
74.34586	1.4
77.03947	1.5
79.05498	20.7
81.07066	24.0
83.04990	12.7
83.08619	6.0
85.02932	1.4
85.06538	4.6
86.09702	3.2
91.05482	26.5
93.07054	44.1
95.04971	17.7
95.08619	23.4
97.02896	4.8
97.06536	4.5
98.97607	1.6
99.08098	1.7
103.05486	2.1
105.04569	1.4
105.07033	36.2
107.04955	1.8
107.08601	43.3
107.09315	2.7
109.06532	7.7
109.10155	12.8
111.04469	4.1
111.08089	30.6
115.05468	1.9
116.98677	1.5
117.07024	6.6
119.08593	39.9
120.09315	1.8
121.06515	12.3
121.10154	57.5
123.04455	13.4
123.08086	3.8
123.11739	4.7
125.09670	9.5
127.07565	14.2
128.06226	3.3
129.06999	4.7
131.08565	12.3
132.10214	2.4
133.06525	3.1
133.10146	18.3
134.07274	3.4
135.08051	7.6
135.11716	8.2
136.55804	1.4
137.06000	2.8
137.09631	2.8
137.13315	1.9
139.07539	3.1
141.06958	3.1
142.07756	3.4
143.08565	12.5
144.09355	1.7
145.06494	2.1
145.10146	16.8
147.04401	1.5
147.08041	7.6
147.11682	25.9
149.06006	5.4
149.09616	3.3
149.13292	7.2
151.11205	2.0
152.06148	1.7
153.01828	1.9
153.07111	2.1
153.09113	36.3
155.08566	3.6
156.09358	7.8
157.06482	1.9
157.10150	14.3
159.08105	6.6
159.11720	14.2
161.09633	6.4
161.13266	54.4
163.03828	2.8
163.07458	2.4
163.11177	4.5
163.14796	3.3
169.10132	3.3
170.10959	2.7
171.11682	21.7
172.08917	1.6
173.02338	2.7
173.09642	2.9
173.13286	9.7
174.10416	1.8
175.11209	5.3
175.14908	3.8
177.09094	2.0
177.16360	2.4
179.10670	8.2
181.06442	5.5
184.08820	1.8
185.09677	2.0
185.13309	13.3
186.14034	3.4
187.11223	5.4
187.14795	3.5
189.05519	11.9
189.12741	13.0
195.11674	2.0
197.13239	2.4
199.11200	4.9
199.14766	3.6
203.14330	5.9
203.17932	2.2
205.12305	9.1
207.11613	1.6
211.14922	2.6
212.15724	1.5
213.09192	2.6
213.12823	3.1
213.16454	7.8
215.07141	2.3
215.14328	3.2
217.12257	5.1
217.19469	2.7
218.12953	3.8
227.17940	5.4
231.13899	2.0
231.17447	2.0
235.01358	1.4
237.16449	3.1
241.08714	2.4
255.17534	8.1
255.21085	19.0
273.07669	9.1
273.11288	5.9
273.18518	100.0
273.22119	34.7
273.25797	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	273.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01871	1.6
55.05510	3.0
56.05033	1.9
56.96557	3.4
57.03423	2.0
59.04989	1.6
60.31379	1.3
61.02929	4.4
66.11102	1.1
67.05511	1.4
69.03418	2.4
69.07057	1.4
70.06608	5.8
70.17888	2.5
70.18294	2.5
71.04984	4.5
72.08168	6.0
79.05482	2.5
81.04547	38.8
81.07068	12.2
83.04961	1.8
83.06103	2.4
84.04485	3.7
84.08150	8.1
85.02889	1.9
86.09711	7.3
91.05450	1.9
95.06097	27.7
97.02894	2.5
97.06545	1.5
97.93361	1.1
98.97563	2.6
102.05527	1.2
102.87725	1.2
109.10085	1.5
111.04467	1.3
111.05590	1.6
114.09205	1.3
115.08695	1.4
116.07089	1.7
121.06496	2.3
125.07121	37.2
127.03967	1.5
129.10239	4.7
130.04994	1.9
143.08170	37.8
151.07585	1.9
153.05452	1.7
153.07042	1.2
161.74615	1.2
163.07550	1.4
163.12323	2.5
182.99019	1.3
183.07961	1.4
193.13371	2.1
205.13345	1.9
207.01945	1.4
211.05559	1.3
213.05498	3.0
223.14493	6.5
231.06606	2.0
241.15480	28.4
245.09471	1.5
248.97043	1.2
255.17010	1.6
273.07489	3.8
273.18112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.32041	1.5
51.02358	1.8
53.03720	1.8
53.03950	33.1
55.01868	9.1
55.05277	2.0
55.05516	23.7
56.96563	3.1
57.03445	3.7
57.52176	1.7
65.03931	4.4
67.05508	39.8
69.03419	5.7
69.07069	21.8
71.04983	7.9
71.08627	1.8
77.03928	3.2
79.05077	3.3
79.05499	44.8
81.03423	74.9
81.06600	2.3
81.07059	40.9
82.07387	1.5
83.04979	8.6
83.08622	3.5
84.27343	1.7
85.06535	7.5
89.03813	1.9
91.05484	62.4
93.03427	3.3
93.07047	29.6
95.04967	17.0
95.08613	19.9
96.09363	2.0
97.06530	6.7
97.10194	2.6
98.97591	4.3
99.08090	3.3
103.05473	6.6
105.03381	5.4
105.04535	3.1
105.07034	42.3
107.04960	41.6
107.08620	17.1
109.06519	5.7
109.10148	6.2
111.04485	2.3
111.08109	5.6
111.11684	2.6
112.99046	1.7
115.05431	9.6
117.06210	3.4
117.07021	31.2
119.04932	2.8
119.08576	22.7
121.06515	10.9
121.10164	11.0
123.04440	3.0
123.08099	2.9
125.09631	5.7
128.06242	13.6
129.07016	22.2
130.07814	2.7
130.50404	1.6
131.04930	7.4
131.08575	33.9
133.06503	15.3
133.10123	11.3
135.08028	7.3
135.11726	8.5
141.07011	12.2
142.07770	4.9
143.08586	21.2
144.05817	4.3
144.09358	2.5
145.06465	15.3
145.10110	21.9
146.07236	2.5
147.08049	14.1
147.11717	7.8
149.09613	4.8
149.13322	3.1
152.06241	2.7
153.06982	4.2
153.09140	3.3
154.07750	2.8
155.05962	1.9
155.08577	8.8
156.09328	3.2
157.06496	6.8
157.10139	14.7
158.99667	2.7
159.08070	14.8
159.11696	12.4
160.08861	4.5
161.09578	9.7
161.13248	8.7
165.07042	3.1
166.07832	3.0
167.08597	6.8
169.10132	6.4
171.08093	7.2
171.11671	10.5
173.01205	3.1
173.09627	9.5
173.13243	6.1
175.11174	6.6
177.12718	2.2
181.10132	6.9
183.11678	3.1
184.08876	1.9
185.09601	9.1
185.13274	4.4
187.11166	6.6
187.14813	4.3
189.12749	4.9
191.02423	1.9
195.11731	4.5
197.13322	2.0
199.11226	9.1
199.14853	2.7
201.12883	1.9
209.13205	1.9
211.14896	2.1
213.12724	3.5
213.16394	4.2
215.06537	2.4
227.17876	3.9
229.03270	2.2
231.17435	2.4
237.16429	5.5
245.18964	3.1
255.17545	13.4
255.21182	3.1
273.18527	100.0
273.22031	5.7
273.25882	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	272.2224
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
53.03928	0.4
55.05270	0.3
55.05514	4.0
56.05034	0.5
57.07074	0.5
58.06316	0.3
58.06603	6.9
67.05504	7.7
68.96109	0.2
69.03429	0.5
69.07069	2.9
70.06592	1.1
70.46248	0.3
70.74653	0.6
71.04982	1.3
71.08637	0.3
72.08155	1.2
79.05490	2.4
81.03404	0.2
81.07059	8.7
83.04969	0.6
83.08620	1.5
84.04529	0.4
84.08128	0.9
85.06523	0.6
86.09692	0.9
91.05497	0.7
93.07047	4.1
95.04996	0.3
95.08615	7.0
97.02899	0.2
97.06554	0.4
97.10165	0.8
98.09693	0.6
105.07026	0.7
107.08595	2.4
109.06509	0.3
109.10162	3.2
119.08568	0.7
121.06512	0.3
121.10153	2.9
123.08118	0.4
123.11707	1.0
124.29253	0.2
131.08546	0.6
135.08070	0.4
135.11739	1.8
137.09596	0.3
140.14316	0.3
142.12250	0.4
145.10170	0.4
149.09627	0.7
149.13193	0.4
159.09215	0.3
159.11597	0.4
163.11203	0.6
177.16437	1.0
210.22179	8.9
212.20110	7.2
212.22163	0.4
226.50804	0.3
236.20096	0.7
254.21140	1.5
272.22208	100.0
273.22565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2058
Annotation	Clathrin B
Peak:m/z	Relative Intensity
52.13194	0.4
53.03930	0.5
55.05510	3.3
65.03904	0.4
67.05504	10.3
67.39152	0.3
69.03397	0.4
69.07073	2.7
71.04987	0.4
71.52136	0.5
79.05495	8.9
81.03378	0.4
81.07059	14.4
83.04979	0.4
83.08617	3.6
87.88783	0.4
91.05486	10.5
93.07047	16.4
95.04952	0.9
95.08612	16.7
97.06478	1.0
97.10126	0.8
103.05429	0.4
105.07037	18.5
107.04930	0.7
107.07889	0.7
107.08598	13.4
109.06523	1.7
109.10155	10.7
115.05447	0.6
117.06384	0.4
117.07020	5.0
117.12354	0.3
119.08586	10.1
121.06473	0.9
121.10147	16.4
123.08057	1.3
123.11670	1.6
126.95492	0.4
127.03889	0.4
128.06221	2.3
129.07019	6.7
130.07770	1.4
131.08577	19.4
133.06451	0.6
133.10138	14.0
135.08011	0.5
135.11708	6.9
137.09633	3.3
141.07001	2.9
142.07776	5.6
143.08568	17.9
144.09315	1.5
145.10123	19.2
146.07303	0.3
147.08098	0.9
147.11694	24.0
149.09599	1.7
149.13220	1.4
149.54825	0.5
151.07495	1.5
151.11156	1.8
153.06955	0.6
155.08546	5.1
156.09319	1.5
157.10132	35.6
158.10751	0.5
159.11697	27.0
161.08328	0.7
161.09624	11.4
161.13260	4.4
163.11194	3.5
167.08612	0.4
168.09326	0.8
169.10155	5.8
170.10876	0.5
171.11694	13.5
173.13271	8.0
175.09795	0.5
175.11194	6.1
175.14818	0.7
177.12704	1.1
181.10150	0.8
182.10915	1.7
183.11708	7.3
184.12492	1.0
185.13271	6.5
186.13976	0.9
187.11128	0.6
187.14845	2.2
189.12726	2.8
195.11691	1.4
196.12466	1.2
197.13277	14.0
198.14006	1.5
199.14848	2.1
201.09120	0.4
201.16376	0.9
209.13301	1.3
211.07520	0.6
211.14828	9.6
212.15527	1.2
213.16385	20.5
215.10701	0.5
215.14378	1.5
218.56107	0.4
223.14906	1.7
224.15617	2.8
225.16368	3.9
226.04688	0.4
227.17912	3.4
228.07310	0.5
229.19495	1.7
238.17134	2.9
242.16704	0.7
243.20959	0.6
251.17822	0.4
253.19519	83.9
256.06894	0.5
271.06030	2.0
271.09399	1.1
271.20569	100.0
272.20914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05625	1.9
52.29192	1.8
53.03941	2.9
55.05515	61.9
57.03419	2.7
57.07080	20.4
57.92194	2.0
59.53964	2.0
65.03946	1.9
67.05504	51.0
69.03438	2.3
69.07071	100.0
69.98537	4.4
69.98924	4.2
71.04987	7.5
71.08631	7.0
72.89193	1.8
79.05505	21.9
81.07059	80.4
83.04971	4.6
83.08618	55.5
84.14085	2.2
85.06539	9.5
85.10177	3.1
86.06102	2.2
89.56705	2.1
91.05489	19.1
93.06489	2.4
93.07049	31.4
95.08613	67.0
97.06535	9.4
97.10170	64.0
98.97556	5.3
99.08064	5.7
105.07018	20.5
107.08598	26.6
109.06519	2.5
109.10160	33.5
111.08089	5.7
111.11731	26.0
117.06979	2.3
119.08598	23.2
121.09356	2.5
121.10151	31.3
123.08068	6.0
123.11698	13.8
125.09636	5.3
125.13249	8.3
129.06985	2.2
133.10138	25.8
135.11699	32.1
137.09605	7.5
137.13263	9.3
139.11153	8.2
139.14806	2.2
143.08470	3.7
143.10677	2.2
145.10132	4.1
147.11693	20.3
149.13245	7.4
151.11220	9.1
151.14832	7.1
153.12695	10.3
155.10680	2.7
157.12242	3.5
159.08044	2.8
159.11653	4.0
161.13235	17.2
163.14862	2.7
165.12708	9.3
175.14819	8.9
179.14336	10.0
189.16357	4.4
191.17952	3.5
193.19495	6.5
211.07568	2.7
217.19498	43.0
235.20558	38.0
253.19485	3.4
253.21649	18.1
271.05988	7.3
271.09656	7.4
271.17407	2.7
271.20441	6.9
271.24231	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	272.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
55.05518	1.9
56.05039	1.2
56.96569	100.0
57.03433	3.0
59.04989	0.8
61.02920	1.5
65.03947	1.0
69.03424	3.8
69.07078	1.5
70.06599	13.6
70.26284	2.3
70.98121	1.8
71.04977	0.8
71.95309	0.8
72.08162	2.9
73.02920	2.3
73.06567	0.8
74.97613	17.2
78.74414	0.6
79.05495	1.2
81.03439	1.0
81.07059	5.2
82.05316	1.2
82.53490	0.6
83.06106	4.1
84.04515	2.6
84.08147	2.8
84.96050	3.0
85.02907	5.0
86.03235	0.8
86.09698	3.7
86.97601	13.3
87.04477	1.3
89.03929	0.7
92.05031	0.8
92.62545	0.6
92.98640	1.5
93.04543	3.8
95.04993	0.8
95.06100	9.8
96.04507	1.0
97.02890	3.2
97.96781	0.7
97.99228	0.8
98.06093	0.8
98.97591	13.3
104.98651	1.1
110.01360	1.1
110.05990	1.7
110.07174	47.7
110.97591	3.1
112.08705	3.1
112.99143	1.6
113.05969	1.0
114.05527	2.5
114.97061	9.1
115.41602	0.6
116.07085	3.7
116.62224	0.9
116.98624	2.6
118.01036	1.0
119.01830	1.2
119.04961	0.9
121.33257	0.6
124.03958	1.6
124.08779	1.5
124.99120	1.3
126.97039	0.8
127.00668	2.1
127.01514	0.9
127.03934	1.6
127.08717	4.0
128.02351	0.9
128.98639	1.9
129.02249	23.7
129.10231	1.2
130.05020	0.7
131.00215	0.9
132.98103	26.8
135.04376	0.7
139.01686	0.7
140.98613	1.9
142.05020	0.8
143.00169	2.8
144.98013	0.7
145.01712	2.3
145.04994	0.8
146.02257	0.8
146.04218	1.1
146.99719	0.9
147.03305	38.8
147.04384	2.4
148.08632	0.7
150.99156	41.9
153.03050	0.6
155.04674	2.8
155.08167	2.1
156.07710	5.8
158.99643	4.5
159.03264	1.5
161.01187	2.6
163.02748	0.9
163.03943	1.7
163.12311	4.4
165.04370	9.0
169.00217	11.9
170.03311	0.9
170.04842	1.3
170.99672	2.1
173.01239	1.3
173.09221	2.2
174.00803	0.8
175.11940	0.7
175.56886	0.6
177.00690	2.0
177.04327	1.1
181.02574	0.9
182.03423	3.2
183.03128	0.6
186.98984	0.9
187.02827	1.4
189.00726	2.0
190.13373	1.7
191.02235	3.6
191.03928	2.8
191.07521	0.9
191.28526	0.8
193.13542	0.8
198.13655	0.7
200.04466	1.5
201.00635	1.5
205.00319	1.1
205.03876	6.9
205.05603	1.2
207.01761	0.6
208.14491	7.7
209.03331	3.3
212.08099	1.0
213.00639	0.7
217.00041	0.9
219.01730	3.9
221.03215	1.1
223.01286	0.9
223.05003	2.0
226.07164	2.0
226.15500	12.3
227.06841	1.4
227.13844	1.0
231.01788	4.6
237.02856	1.1
248.99133	1.2
248.99902	1.1
249.02832	21.7
254.15073	6.6
261.02771	0.9
263.06006	1.1
267.00800	0.8
267.03912	7.9
272.04153	1.0
272.07516	1.3
272.16049	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
57.03443	0.5
60.04512	0.4
65.68694	0.3
67.05500	1.4
69.07066	2.2
69.88467	1.8
70.06596	53.1
71.05006	0.5
79.05513	0.9
81.03437	0.5
81.07063	1.4
83.05016	0.4
84.08226	0.3
85.06541	0.4
86.09708	27.1
90.13480	0.3
91.05492	0.8
93.07059	0.5
95.04929	0.5
95.08612	1.6
98.17749	0.3
105.07040	0.7
107.08606	0.7
109.06516	0.4
109.10156	2.1
112.07610	5.6
112.44027	0.3
116.07097	100.0
119.08577	0.5
121.10162	0.5
123.08032	0.5
125.09653	0.4
128.10722	18.5
133.10162	0.4
140.07072	3.9
143.08588	0.5
147.11794	0.4
155.08534	0.4
156.10202	2.7
165.06970	0.8
181.06635	0.5
183.08043	0.8
193.43748	0.4
211.07550	0.9
249.91502	0.4
271.06033	1.2
271.09805	2.5
271.14603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1906
Annotation	Trichocarane D
Peak:m/z	Relative Intensity
53.03929	2.5
55.01865	3.1
55.05506	8.1
56.96559	2.5
57.03446	8.4
57.07073	4.6
67.05508	20.9
69.03436	29.0
69.07076	19.7
69.79028	9.6
70.06587	8.0
71.04982	7.3
72.08151	4.3
79.05491	21.5
81.03414	7.9
81.07065	39.4
82.35158	1.6
83.04961	5.7
83.08621	4.6
84.08116	6.5
85.02895	6.2
85.06547	3.8
86.09712	6.2
87.04496	2.5
90.32502	1.9
91.05496	22.8
93.07047	37.1
93.96899	2.2
95.04966	6.1
95.08613	40.2
97.02880	3.1
97.06547	8.9
97.77682	1.8
99.04469	17.0
105.07040	46.8
106.61258	1.6
107.04935	2.3
107.08601	44.1
109.06514	10.7
109.10170	25.2
111.08076	7.4
117.07018	13.7
119.04929	2.1
119.08589	39.3
121.06512	3.8
121.10159	21.5
123.08053	4.1
123.11711	4.0
125.05975	1.7
125.09652	4.2
127.07573	1.6
128.06190	3.3
129.07001	11.1
129.10265	2.5
131.08568	28.1
133.06454	5.4
133.10149	37.3
135.08066	4.7
135.11711	39.3
137.05995	2.7
137.09631	3.3
137.13266	23.6
139.07599	1.7
141.07018	2.4
142.07765	7.6
143.08595	16.6
145.09053	2.5
145.10130	25.6
147.08058	5.4
147.11685	19.9
149.09619	4.9
149.13260	9.2
151.07544	2.3
151.11151	3.9
155.08536	2.5
156.09343	2.1
157.10129	27.1
159.11700	23.1
161.09633	6.4
161.13245	12.8
163.14993	1.8
165.07036	3.0
169.10153	2.0
171.11697	7.3
173.13240	7.4
175.11224	9.6
175.14803	8.8
177.12717	11.5
177.16339	4.3
179.10689	1.7
181.06372	2.2
183.08040	2.4
187.14850	19.3
189.12811	3.2
189.16385	26.7
191.14322	5.7
198.12814	2.0
199.14835	22.9
205.15909	24.8
207.17392	4.4
211.07658	4.3
217.15886	86.9
217.45953	2.0
223.17021	3.7
225.16040	3.3
235.16934	100.0
239.07024	3.7
253.17998	28.5
256.07147	3.0
271.06180	4.2
271.09647	11.0
271.16675	2.8
271.19067	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05507	1.0
67.05516	2.2
69.07069	0.8
69.15896	4.4
69.16312	0.9
77.44681	0.4
79.05508	2.5
81.05817	0.7
81.07070	2.8
83.08624	0.8
85.06577	0.5
89.02466	0.4
91.05482	1.6
93.05784	1.1
93.07040	1.2
94.06575	0.6
95.08612	1.1
96.08160	2.3
97.06545	0.4
105.07026	1.6
106.06574	2.1
107.08601	1.4
107.27783	0.5
108.07446	0.8
108.08129	9.8
109.10139	1.6
112.40052	0.5
117.07017	0.6
118.06561	0.6
119.07341	0.6
119.08577	1.8
119.26533	0.5
120.08117	1.0
121.10172	0.7
122.09647	1.5
129.06998	0.8
133.10121	1.3
134.06029	1.3
134.09644	0.5
136.07581	1.3
141.07043	0.6
142.07767	0.5
143.08575	0.9
144.08095	1.4
145.10098	0.8
148.07539	0.6
151.11319	0.6
153.06995	0.6
154.06473	1.0
155.08559	0.7
156.08170	0.8
156.09311	0.8
157.08867	0.8
157.10165	1.9
158.06056	0.6
158.09682	0.7
159.08064	1.9
159.09244	0.9
159.11717	0.9
166.07814	0.6
168.08112	4.5
168.09344	0.8
169.08862	4.1
169.10150	0.8
170.09648	1.2
171.11757	0.6
172.07593	1.5
173.09593	0.5
174.09166	1.4
181.10150	1.7
182.05978	0.7
182.09679	1.8
183.08015	0.9
183.10442	6.4
183.11816	0.9
184.09959	0.6
185.10739	1.4
186.09189	1.1
186.11520	1.9
196.05998	0.6
196.07556	3.8
197.08369	8.9
198.09166	1.4
198.12805	8.0
199.08664	6.5
199.12317	1.7
200.10956	0.7
200.13080	1.7
208.11258	0.9
210.09189	2.3
210.11665	0.7
211.07880	1.1
211.09952	14.3
212.09343	0.8
213.10286	13.3
214.11029	4.4
215.15527	3.5
225.11595	0.7
225.13782	0.5
226.12296	27.1
227.08188	1.1
227.11816	17.2
228.12581	25.0
229.13054	0.6
239.11787	0.9
241.09680	1.6
241.13353	0.7
242.10516	1.7
243.14955	20.9
253.13440	4.4
253.15846	0.7
253.19481	0.9
254.11781	1.9
255.11305	23.2
256.12100	26.9
269.12354	0.4
271.06601	3.0
271.09583	2.6
271.14435	100.0
272.25946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85946	1.1
55.01867	2.8
56.96558	4.2
57.03428	2.8
59.05004	9.6
61.02925	2.8
64.44776	1.2
69.03419	5.9
69.67668	4.0
69.68086	4.1
70.06583	3.2
71.01355	1.8
73.02913	2.2
73.06561	100.0
73.34493	1.3
74.66114	1.4
75.04480	4.0
76.97048	1.4
81.03401	2.7
84.08126	3.0
85.02912	18.5
87.04486	11.6
89.06026	1.7
91.05479	1.4
91.07612	12.5
95.06095	1.9
97.02896	3.9
98.97581	6.5
103.03954	6.4
109.02869	2.3
110.07196	2.5
115.08535	1.3
119.01849	2.1
119.03441	9.0
119.04926	1.8
120.08126	4.3
127.03931	2.9
128.98621	1.9
131.03398	6.3
138.05484	7.2
138.07048	1.2
145.04970	3.8
146.60667	1.5
147.03328	1.7
147.04442	4.1
152.06969	1.3
161.04471	14.2
162.05428	1.4
212.04659	1.7
217.03447	41.5
219.01752	2.9
224.10786	1.6
224.12791	1.6
227.07086	3.7
235.04527	14.9
255.06511	3.7
270.08902	5.7
270.13593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
55.05510	0.4
55.60677	0.1
56.05033	0.3
56.41902	0.2
56.59180	0.1
56.96569	5.9
57.03159	0.2
57.03439	4.3
57.07068	0.8
58.99862	0.2
59.04998	0.4
61.02933	2.1
62.27538	0.2
65.03929	0.2
65.22715	0.2
67.05517	1.1
68.05038	0.2
69.03433	3.8
69.07070	0.7
70.06597	7.3
70.98128	0.9
71.01366	0.9
71.04997	0.4
71.51113	0.2
71.95261	0.4
72.08157	0.8
73.02919	2.6
73.06563	1.8
76.56613	0.2
78.03472	0.3
79.04246	0.5
79.05486	0.3
81.03416	0.6
81.07064	0.3
82.99863	0.2
83.05000	0.3
83.06104	0.5
84.04517	0.5
84.08141	2.3
84.96033	0.5
85.02911	8.0
85.06538	0.4
86.09719	0.4
87.04471	0.9
88.07629	0.3
91.03967	0.3
91.05504	0.9
93.04486	0.2
95.04993	0.2
95.06108	1.6
96.04507	1.0
97.02900	3.4
97.06536	0.5
98.06038	0.4
98.09654	0.2
98.97588	7.1
99.04420	0.4
100.02502	0.4
101.00895	3.2
101.02386	0.3
103.03946	0.5
103.05502	0.3
107.04948	0.2
107.08590	0.2
108.04489	0.6
109.02886	0.5
110.01324	0.7
110.07159	2.6
110.97581	1.5
111.07523	0.6
112.07608	0.3
112.08744	0.8
112.99138	0.3
113.00932	0.4
115.02426	0.7
115.03936	2.0
116.07127	0.3
116.98621	3.4
118.01041	0.3
119.01925	7.0
119.04938	0.8
120.08113	2.5
121.06541	0.4
122.06066	0.2
124.03945	0.5
127.01559	0.3
127.03939	1.7
127.07751	0.2
127.08688	3.8
128.98616	1.8
129.03961	0.2
129.10234	0.5
130.06613	0.2
130.08638	0.6
130.93323	0.6
131.00204	0.3
131.01912	1.7
132.98068	0.2
133.03462	0.7
133.04991	2.5
134.06013	0.2
134.99701	1.4
136.07599	0.5
137.02925	1.1
137.05957	0.3
138.05510	100.0
139.05879	0.3
140.07101	0.4
140.98619	0.6
141.00365	0.2
141.02222	0.3
142.01791	0.5
143.00194	0.5
143.01913	0.5
143.05597	0.2
144.54529	0.2
144.98105	0.4
145.01671	0.2
145.03468	0.3
145.03821	0.3
145.04967	2.0
145.07158	0.4
145.92802	0.2
146.99677	1.7
147.04387	2.6
147.11368	0.2
149.01164	0.3
149.02979	0.4
150.09169	0.2
151.04448	0.2
152.04106	0.6
153.03964	0.2
154.03523	0.2
154.04919	0.3
155.08177	2.6
156.03322	0.6
156.05116	0.2
156.07697	0.3
156.98103	0.3
157.03555	0.8
157.10887	0.7
158.06578	0.3
158.99643	1.9
159.01379	0.8
159.03276	0.3
161.01262	0.5
161.03085	0.9
161.04669	1.4
162.99184	0.3
163.06021	0.4
163.08203	0.7
165.00745	0.5
165.57536	0.2
168.01837	0.4
168.03296	0.3
168.97934	0.2
168.99919	0.3
170.99641	0.3
171.01392	0.2
172.94360	0.7
172.97609	0.4
173.01440	0.2
173.03000	0.6
173.06653	0.3
174.04410	0.5
174.99199	0.4
175.02853	0.2
175.04590	0.5
176.07460	0.5
177.00723	1.3
177.02458	0.9
177.04002	0.2
179.08574	0.3
179.11786	0.3
182.01466	0.2
182.03082	0.2
183.01347	0.2
183.14952	0.2
185.02930	0.5
185.06540	0.3
186.04399	0.9
186.99129	0.6
187.00906	0.6
187.02715	0.6
187.04453	0.3
188.05167	0.3
188.07602	0.2
188.99001	0.3
189.00766	0.6
189.04193	0.4
189.06067	0.4
190.01485	0.3
190.03035	0.2
190.95462	0.6
190.98695	0.6
191.03958	0.7
192.05524	0.3
194.03377	0.2
197.01160	0.2
197.48717	0.2
197.99374	0.3
199.10863	0.2
200.04405	0.5
201.00694	0.5
201.02444	5.8
201.04077	0.3
203.02229	0.2
203.03960	0.5
204.05522	0.5
205.00235	1.0
205.01888	0.3
205.03789	0.3
205.05750	0.4
206.12897	0.4
208.04724	0.2
210.02771	0.4
210.04626	0.9
210.55006	0.2
211.14433	1.2
212.04688	0.4
215.00467	0.8
217.00241	0.4
219.01729	1.0
219.03529	4.1
221.03142	0.2
223.01196	0.4
224.03882	0.2
224.10741	0.7
224.13901	1.6
226.03911	0.3
227.07004	1.7
228.03621	0.4
229.00092	0.5
229.01979	1.7
229.05820	0.5
232.99637	0.3
237.02768	0.9
239.02261	0.2
240.05771	0.3
242.19844	1.0
244.05042	0.2
247.01166	0.8
247.03242	1.9
247.06799	0.6
252.12437	0.3
255.04167	0.2
255.06512	1.2
257.05136	0.7
259.01340	0.2
261.06335	0.3
261.62360	0.2
264.95496	0.4
265.04016	0.6
270.08920	2.0
270.14511	4.1
270.18954	0.6
270.21600	1.2
275.00815	0.4
279.04382	0.3
293.10977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.22032	1.0
53.00331	0.9
53.03957	4.7
55.01860	3.6
55.05275	1.7
55.05515	23.9
57.03442	36.6
57.07063	4.3
59.11078	0.9
65.03931	3.3
67.05509	78.8
69.07077	32.3
71.05005	7.3
71.08607	1.1
71.38354	1.5
79.05499	47.9
81.03416	2.0
81.07063	100.0
83.04993	13.5
83.08164	1.2
83.08633	18.2
85.06552	8.6
87.40524	0.9
91.05488	26.8
93.07052	75.1
95.04980	6.8
95.08613	30.6
97.06541	16.0
99.04395	1.1
99.08094	4.7
105.07054	11.9
107.04970	1.4
107.08608	36.5
109.06528	4.1
109.10122	5.4
111.08083	9.4
111.11709	1.5
113.05992	1.2
113.09664	2.0
115.05420	1.5
117.07031	11.9
119.08571	4.0
121.06496	2.7
121.10155	22.1
123.08054	1.8
123.11682	3.2
131.08578	12.6
133.10146	12.4
135.08058	1.9
135.11710	12.3
139.11163	2.1
147.11662	1.6
149.09669	1.8
149.13272	47.1
151.11267	1.6
157.10190	1.3
159.11710	25.8
161.13309	1.7
167.14278	1.8
173.13385	1.1
177.12750	12.6
195.12006	1.6
195.13820	19.9
196.32047	1.1
213.14935	2.0
269.08167	1.9
269.17490	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03926	3.0
55.01854	4.1
55.05515	18.1
57.03437	33.1
57.07046	3.5
59.44839	1.3
65.03922	1.3
67.05508	76.4
69.07070	29.5
69.85715	5.9
69.86115	2.7
70.60748	1.2
71.05000	8.0
71.08636	1.3
79.05494	45.2
81.03385	3.9
81.07058	100.0
83.04976	9.9
83.08619	21.8
85.06561	6.4
91.05484	24.2
93.07047	70.9
95.04982	6.8
95.08604	30.9
97.06032	1.6
97.06536	17.8
97.10125	3.6
99.08064	3.7
105.07039	10.9
107.08595	39.8
109.06488	3.7
109.10147	6.0
111.08081	11.7
111.11715	1.6
117.06377	1.2
117.07016	13.8
119.08584	7.0
121.06469	1.7
121.09333	1.9
121.10146	24.0
123.11668	5.2
125.09602	1.7
129.06952	1.9
131.08574	15.1
133.10126	16.2
135.08051	2.8
135.11708	12.8
139.07469	1.6
139.11168	2.9
143.08522	2.5
145.10072	3.4
147.11670	2.6
149.13263	49.4
151.11211	1.3
157.10043	5.4
159.11690	27.8
161.13232	2.2
167.14307	2.5
171.11577	2.1
173.13197	3.5
177.12756	16.4
179.14224	2.5
183.11572	1.5
185.13271	2.0
187.14807	1.6
191.06931	2.3
195.12201	1.6
195.13837	16.2
211.14716	1.4
213.12730	1.5
269.07883	3.1
269.11591	7.2
269.17380	74.7
269.22324	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	270.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72246	0.7
51.27966	0.8
55.01868	2.8
56.96564	5.1
57.03445	4.7
58.99860	0.9
59.01973	0.9
59.05011	0.7
61.02915	3.8
68.98290	1.5
69.03430	4.8
69.07063	1.6
70.06598	8.9
70.95078	1.1
70.95406	1.1
70.99855	2.4
73.02905	3.4
78.07546	0.8
81.03402	1.3
82.01452	1.8
82.99850	6.6
83.06111	0.9
84.04504	1.0
84.08150	1.7
85.01401	0.8
85.02903	9.7
86.03295	0.8
86.99332	0.9
87.04478	0.8
93.07043	1.1
96.04475	1.0
97.01398	2.5
97.02903	4.8
98.97596	4.6
99.04470	0.8
100.02486	3.1
101.00887	54.1
104.10738	3.4
110.07171	2.7
110.97543	0.9
112.07576	0.9
113.00874	6.4
115.02438	11.1
115.03918	2.7
116.07152	0.8
116.98645	1.1
117.04002	1.5
118.01102	0.8
119.01926	81.9
120.02015	0.9
120.08202	0.9
122.01390	1.2
126.98807	3.4
127.03909	3.5
127.08722	3.7
128.98621	0.8
129.00336	1.4
129.03976	2.5
131.01901	14.1
131.02829	1.0
133.03484	12.4
133.04977	2.6
136.07594	1.1
137.01964	1.4
137.02956	9.0
138.05508	100.0
142.03525	2.8
143.01888	5.8
144.99826	5.5
145.03467	2.5
145.04936	1.5
147.01418	4.7
147.03044	1.1
147.05037	3.0
149.02986	1.1
151.04576	1.1
154.03561	1.6
154.04977	1.0
155.01877	1.6
155.08156	3.2
156.05112	1.0
157.03433	1.9
158.06691	1.9
159.01395	4.7
161.02922	7.8
163.08202	0.9
167.97360	0.9
168.99821	14.7
171.01447	1.7
171.05072	1.5
172.99348	1.8
173.02921	5.6
175.04549	2.1
177.00877	0.9
177.02466	3.0
180.04495	0.7
180.06360	2.0
182.03062	1.6
183.01299	1.2
183.05008	2.1
185.03026	1.3
185.07991	0.8
187.00903	27.6
187.02618	1.7
187.04478	1.1
188.07668	1.9
189.02448	4.3
189.04053	1.0
189.06148	1.2
190.36469	0.8
191.04019	2.8
192.05611	1.2
196.99318	11.4
198.06120	1.2
199.00890	1.8
201.02451	14.8
203.04010	1.9
203.07791	0.8
205.01950	7.0
210.02519	1.3
212.04111	0.7
212.07759	1.1
213.06015	1.3
215.00375	41.8
217.01947	2.5
219.01685	1.2
219.03540	12.5
219.05511	1.1
221.03027	1.7
224.13934	1.7
227.07043	1.3
228.03607	0.8
229.01930	8.4
229.05591	1.1
231.07167	1.2
233.01454	5.1
247.03004	21.4
251.02599	1.9
255.06656	1.2
256.03015	2.4
257.08829	1.7
265.04047	5.6
270.04520	0.9
270.08234	4.1
270.14563	4.1
274.04059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03927	3.0
54.14932	0.8
55.01850	2.6
55.05510	19.9
57.03439	29.0
57.07056	3.2
65.03921	2.4
66.40676	1.0
67.05505	81.6
69.07069	26.7
69.49258	3.4
69.49683	2.4
71.04993	6.4
71.08636	1.0
79.05495	49.5
81.03407	1.7
81.07056	100.0
83.04987	10.0
83.08165	1.1
83.08620	18.9
85.02874	1.3
85.06535	5.7
89.50834	0.8
91.04897	1.6
91.05480	29.2
93.07044	78.3
95.04968	6.3
95.08604	29.4
97.06535	17.3
97.10153	2.7
98.20886	1.9
98.21490	1.8
99.08109	5.5
105.04537	1.6
105.07029	12.1
106.75703	0.9
107.08595	35.4
109.06492	3.4
109.10184	4.3
111.08073	9.1
113.09619	1.5
115.05401	1.1
117.07018	12.3
119.08563	4.1
121.06494	2.4
121.10148	14.8
123.08060	1.8
123.11677	3.8
124.66750	1.0
131.08551	15.4
133.10126	16.9
135.08026	3.3
135.11690	14.4
137.42670	0.7
139.11134	1.8
145.17015	0.9
149.09648	1.9
149.13257	49.2
151.11140	2.5
159.11693	35.0
161.13254	4.9
167.14316	1.3
177.12758	19.2
179.14296	3.2
195.13802	19.8
211.14719	0.9
213.14883	2.1
251.16524	1.1
260.55573	1.0
260.73840	0.8
269.17456	94.7
288.40854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03926	5.8
55.01867	3.5
55.05512	19.7
57.03443	28.4
57.07047	4.5
59.12416	1.2
60.99299	1.3
65.03941	1.7
66.04680	2.0
67.05508	77.8
69.03402	1.3
69.07074	30.7
69.27290	11.6
71.04964	6.1
79.05495	44.0
81.03395	4.3
81.07061	100.0
83.04992	12.8
83.08627	18.4
85.06522	5.3
85.90662	1.6
91.05495	25.1
93.07050	68.8
93.07635	3.3
95.04932	6.1
95.08073	1.9
95.08613	26.8
97.06038	1.5
97.06533	16.4
97.10126	2.8
98.20712	2.3
99.08067	3.9
105.07037	13.2
107.07903	2.5
107.08600	36.6
109.06497	3.7
109.10131	7.0
111.04436	1.6
111.08080	10.5
111.11667	2.0
113.06010	2.0
113.09657	2.1
117.07045	13.3
119.08537	6.7
120.42677	1.4
121.10151	19.8
123.08012	2.2
123.11665	4.6
125.09577	1.5
130.74872	1.5
131.08565	12.9
132.93079	1.2
133.10150	15.0
135.07980	4.0
135.11710	12.4
139.11139	1.6
143.08504	2.3
145.10133	2.5
147.07944	1.2
147.11646	3.6
148.09795	1.3
149.13281	44.8
157.10124	3.3
159.10493	2.4
159.11707	30.1
161.09575	1.5
161.13304	3.3
173.13298	1.8
177.12790	15.3
179.14204	2.1
185.13190	2.2
195.13824	16.9
197.05843	1.8
227.06903	1.5
241.08510	1.8
258.65002	1.4
269.07895	4.1
269.17371	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02358	1.4
53.03931	4.0
55.01862	2.9
55.05515	48.0
55.17290	1.0
56.01720	1.1
56.96561	1.6
57.03444	30.5
57.07058	4.4
65.03920	1.3
67.05510	82.9
69.03459	1.2
69.07072	31.8
69.98402	5.4
71.04665	1.6
71.04998	18.2
71.08607	1.7
79.05500	40.0
80.91380	1.0
81.03415	2.8
81.07062	100.0
83.04984	12.6
83.08624	46.6
85.06551	19.4
91.04916	1.2
91.05487	25.1
93.07049	69.2
95.04991	7.0
95.08611	25.7
97.06541	15.9
97.10152	2.8
99.08070	4.6
105.04517	1.4
105.07030	14.6
107.07896	2.0
107.08601	39.9
109.06503	4.6
109.10167	11.9
110.48669	1.2
111.08086	10.3
117.07029	11.4
119.08591	6.1
121.06481	1.8
121.10159	19.4
123.08040	1.8
123.11709	5.6
125.09617	2.0
129.06976	1.6
131.08588	13.6
133.10143	17.6
135.08061	2.2
135.11713	14.5
139.11188	3.4
143.08577	1.4
149.13274	43.7
151.11130	7.4
157.10165	1.7
159.10480	1.9
159.11700	25.1
161.13306	2.3
163.95270	1.4
169.12251	19.2
173.13522	1.2
177.12738	14.6
179.14250	2.1
187.13275	2.7
195.13820	20.9
200.82916	1.4
213.14806	1.3
241.08667	1.6
251.20068	1.7
269.08011	2.4
269.17447	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03953	2.1
55.01864	2.8
55.05513	11.0
57.03440	14.2
57.07062	1.3
61.24678	0.9
65.03929	1.7
67.05507	68.1
69.03439	1.7
69.06721	0.7
69.07066	16.6
70.23148	1.8
71.04986	5.1
73.02927	1.2
79.05495	34.5
81.03424	2.1
81.07058	72.1
83.04987	7.2
83.08616	14.3
85.02920	1.1
85.06548	6.2
91.05484	35.0
93.07048	62.8
95.04970	7.2
95.08608	22.6
97.06535	18.1
97.10166	1.2
98.21557	1.3
99.04460	1.4
99.08091	7.6
99.30428	0.9
100.19979	0.9
102.30474	0.9
103.03928	2.1
103.05489	0.9
105.07027	10.8
107.08595	21.9
109.06529	3.3
109.10174	5.3
111.08086	9.1
113.05994	1.2
113.09633	1.4
117.07022	17.2
119.08582	3.7
121.06445	1.2
121.10120	8.9
123.08031	1.3
123.11700	2.2
129.06966	1.3
129.09067	1.2
131.08575	21.0
133.10133	17.5
135.08084	3.0
135.11703	12.9
139.02165	0.9
145.10086	1.4
147.11681	2.3
149.09619	2.4
149.13258	29.5
151.11162	4.3
155.06993	1.0
157.10043	1.4
159.11702	43.8
161.13239	6.2
173.13235	1.1
177.12750	33.4
179.14297	8.3
195.13821	11.6
251.16440	2.7
269.08185	3.1
269.17465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	3.0
55.01864	3.5
55.05513	20.3
57.03440	36.5
57.03867	1.6
57.07057	4.8
65.03915	2.7
67.05507	82.1
67.22987	1.6
68.35931	1.5
68.89906	1.6
69.03414	1.9
69.07072	33.4
70.80244	3.0
71.04975	5.8
79.05495	51.0
79.70732	1.4
81.03396	2.4
81.07060	100.0
83.04984	8.4
83.08145	2.3
83.08616	20.4
85.06526	5.4
91.04979	2.2
91.05486	24.3
93.07047	70.7
95.04949	5.7
95.08070	2.1
95.08616	29.8
97.06541	16.1
97.10162	2.3
99.08066	5.1
101.05951	1.3
105.04460	1.4
105.07040	9.5
107.08603	40.8
109.06519	4.4
109.10143	5.2
111.08075	12.5
111.11677	1.6
113.09681	1.4
117.07041	10.9
119.08561	5.1
121.06460	1.6
121.10149	25.3
123.11683	4.0
131.08539	9.6
133.10143	13.3
135.08058	3.3
135.11676	12.5
138.51735	1.5
139.11168	4.2
143.08568	1.7
145.10172	1.5
147.11668	3.1
149.09647	3.3
149.13261	54.5
151.11201	1.7
157.10092	1.4
159.11690	30.2
161.13293	2.1
171.11758	1.3
173.13300	1.8
177.12747	12.7
191.14337	2.6
195.13800	15.8
269.08185	1.4
269.11664	2.5
269.17459	69.2
269.22592	7.4
279.51785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03941	3.5
55.01863	2.7
55.05518	23.8
57.03154	1.2
57.03442	31.8
57.07073	3.6
65.03925	2.9
67.05511	87.6
69.03428	1.3
69.07075	27.8
69.43154	3.4
69.43578	2.7
71.05000	6.5
71.08608	1.5
72.67629	0.8
73.02970	0.9
79.05499	53.3
81.03415	2.2
81.07064	100.0
83.04990	12.3
83.08631	18.3
85.02908	1.7
85.06545	6.3
91.04916	1.0
91.05490	30.3
93.07051	81.5
95.04974	7.2
95.08614	26.1
97.05931	1.1
97.06541	18.3
97.10151	2.4
98.20769	1.6
99.08084	5.1
102.32964	0.8
105.04505	1.3
105.07041	12.7
107.07877	1.8
107.08604	34.8
109.06520	3.9
109.10167	5.7
109.54659	0.8
111.08094	10.0
113.06010	1.1
113.09648	1.6
117.07028	14.9
119.08605	4.1
121.06508	1.6
121.10155	20.3
123.11711	3.9
125.09556	1.4
129.07014	1.0
131.08574	12.8
132.65945	0.8
133.10146	18.4
135.08075	2.3
135.11697	12.6
139.11174	1.2
147.11642	1.5
149.09625	2.2
149.13277	47.3
151.11198	2.8
159.11699	34.1
161.13254	3.9
167.14394	1.3
177.12776	18.8
179.14267	3.2
195.13838	22.9
213.14949	2.1
242.90710	0.9
251.16367	2.2
269.07974	1.7
269.17496	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	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03937	4.7
55.01866	4.4
55.05241	1.4
55.05509	24.8
57.03440	23.6
57.07076	2.6
59.05024	1.7
65.03938	2.1
67.05510	86.0
69.03419	3.7
69.07072	27.5
69.55685	2.0
69.56098	5.8
71.04998	9.3
78.22778	1.4
79.05505	44.3
81.03426	2.4
81.07062	100.0
83.04989	11.3
83.08624	16.9
85.06554	7.4
86.09692	2.0
89.26859	1.3
91.05488	35.7
93.07050	73.6
95.04978	8.0
95.08617	26.0
97.06548	18.4
97.10172	3.7
99.04475	2.2
99.08076	5.7
102.08256	1.3
105.07039	14.2
107.04949	3.5
107.08601	34.3
109.06516	4.8
109.10194	6.2
111.08099	8.4
113.06011	1.8
115.05440	2.0
117.07030	15.8
119.08578	6.2
120.08094	1.3
121.06477	3.1
121.10156	14.4
123.08105	1.6
123.11694	5.1
125.09640	4.9
125.32726	1.5
127.07592	2.4
131.08577	17.2
133.10146	20.5
135.08047	2.2
135.11682	16.0
137.58270	1.3
139.11201	1.7
139.40633	1.2
143.08545	1.6
143.60510	1.3
145.10101	2.1
147.11690	2.5
149.09645	3.1
149.13268	45.0
151.11195	3.0
157.10141	1.7
159.11711	36.4
161.13284	2.9
167.14308	1.5
173.11769	1.3
177.12781	25.3
179.14299	4.8
181.06531	2.5
195.13814	15.2
213.14931	1.8
219.06473	1.4
226.06432	1.5
241.08604	3.2
251.09137	2.5
251.12621	5.1
251.16348	3.8
269.04419	1.5
269.08133	3.8
269.13571	25.9
269.17484	74.4
270.08521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.59535	0.8
53.03952	5.8
55.01866	2.6
55.05271	1.5
55.05516	19.8
56.96568	1.2
57.03192	1.3
57.03441	16.7
57.07072	2.6
65.03936	2.2
67.05509	73.2
69.03426	3.0
69.07072	20.4
70.21655	0.9
71.04993	14.2
71.52132	1.1
72.08135	1.0
79.05498	42.2
81.03416	3.0
81.07060	100.0
83.04978	7.3
83.08155	1.4
83.08619	17.7
84.08167	1.1
85.02894	1.2
85.06545	6.2
86.09698	1.0
91.05486	32.9
93.07047	63.8
95.04986	6.6
95.08610	31.3
97.02855	1.3
97.06539	16.9
97.10164	2.5
99.04431	1.5
99.08092	5.5
103.03967	1.3
105.07037	13.9
107.04954	1.4
107.07887	1.6
107.08596	28.7
109.06514	4.7
109.10167	16.2
110.07157	1.0
111.08115	6.4
113.05935	1.1
117.07020	12.3
119.08592	6.4
120.47657	1.0
121.06496	1.9
121.10147	12.8
123.08039	2.0
123.11681	5.3
125.09617	2.5
127.07550	1.2
129.06966	1.3
131.07625	1.3
131.08575	14.4
133.10144	18.1
135.08057	2.7
135.11716	12.1
137.09570	1.2
145.10182	2.4
147.11678	3.0
149.02385	1.1
149.09602	1.8
149.13277	31.1
151.11154	2.7
155.08514	1.2
157.10124	1.5
159.11711	30.7
161.13290	5.4
163.07578	1.2
163.11188	1.1
167.03482	1.3
167.14291	1.6
171.11755	1.2
173.11736	3.2
173.13165	1.7
175.11136	1.2
177.12762	20.7
179.14311	4.9
183.33762	0.9
191.06961	1.0
195.12125	1.6
195.13785	9.9
205.11986	1.1
215.17944	1.8
233.15469	1.2
241.19389	1.1
242.42281	1.0
251.06923	1.0
251.16475	1.9
251.20090	3.7
255.08722	1.0
269.07861	5.1
269.17480	67.1
270.17133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
62.63945	0.2
67.05498	0.3
69.67224	1.3
72.56504	0.2
79.05501	0.7
79.65401	0.2
81.03423	0.3
81.07051	3.4
84.04568	0.3
84.08143	2.2
91.05495	0.3
91.10020	0.2
103.65066	0.2
109.05150	0.7
110.03542	3.1
112.78430	0.2
120.08146	0.2
128.04591	0.9
130.08702	0.2
134.04610	0.3
135.03023	7.2
135.73161	0.2
136.06195	0.4
137.06038	0.3
142.26761	0.2
152.05679	100.0
153.04088	6.2
155.81599	0.2
164.44583	0.2
165.71756	0.2
176.07112	0.7
204.06580	0.3
232.06238	0.3
250.07123	0.8
250.12961	2.5
268.08212	1.0
268.14038	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85586	0.2
52.60217	0.1
53.03940	0.5
55.05514	4.7
55.05776	0.2
57.03424	0.3
57.07047	0.4
58.06602	8.1
64.93017	0.2
65.03932	0.4
67.05508	12.8
69.07075	3.7
69.58797	0.7
69.59213	0.3
70.06561	0.2
71.05004	1.6
72.08141	0.7
79.05496	3.6
81.03418	0.5
81.07060	10.9
82.03749	0.3
83.08624	2.0
84.08135	0.5
85.06541	1.0
91.05470	0.7
93.07050	3.4
93.07631	0.2
95.08611	9.4
97.10162	0.6
98.09685	0.7
105.07001	0.3
107.08598	2.2
109.10161	3.3
110.80999	0.2
117.06918	0.2
119.08562	0.2
121.10155	1.5
123.11719	0.8
135.11685	0.9
136.06195	0.2
137.13272	0.3
149.13245	0.5
173.30257	0.2
198.18573	0.2
235.05679	0.2
238.31323	0.2
240.73869	0.2
250.25374	0.6
268.26361	100.0
269.26678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27634	1.3
70.55833	1.4
71.42698	1.7
81.91528	1.5
94.93022	9.2
112.70091	1.5
112.89612	2.4
136.94020	4.4
148.94022	4.4
162.95593	3.7
166.95122	2.1
176.93533	7.2
208.53358	1.8
225.12349	1.6
235.56181	1.6
268.98264	100.0
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	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03940	5.2
55.01867	5.0
55.05513	19.7
57.03187	1.9
57.03442	18.7
57.07082	1.2
65.03948	2.9
67.05511	77.1
69.03426	2.7
69.06694	1.3
69.07072	26.3
69.66928	4.9
69.67349	2.7
71.05002	9.6
79.05499	47.5
81.03412	4.2
81.07066	91.8
83.04989	12.7
83.08624	16.8
85.02862	1.3
85.06540	10.1
86.09715	18.6
91.05487	35.2
93.07050	76.0
95.04975	9.6
95.08615	28.2
97.06541	24.1
97.10181	3.2
98.97565	1.6
99.04459	1.5
99.08105	8.0
105.04528	1.7
105.07039	17.3
107.08607	25.6
109.06499	5.7
109.10166	8.3
111.04476	1.4
111.08086	12.0
113.09629	1.6
117.07035	17.7
119.08605	6.6
121.06542	3.0
121.10164	12.8
123.08038	1.7
123.11707	5.0
125.09621	1.6
131.08583	22.9
133.10144	22.3
135.08084	4.1
135.11710	17.1
137.09598	1.7
139.02147	1.1
139.11189	1.2
141.12654	1.3
145.10181	1.8
147.11703	3.2
149.09665	1.9
149.13277	36.4
150.90399	1.2
151.11197	4.3
157.10083	2.8
159.11703	56.4
161.13258	6.3
165.09053	1.6
177.12769	36.0
179.14294	8.6
195.13826	12.2
213.14932	2.3
233.15480	2.3
233.19052	1.9
246.88676	1.2
251.12837	2.1
251.16457	4.7
251.20067	3.1
269.08157	5.9
269.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03945	3.3
55.01880	1.5
55.05514	7.1
57.03441	18.0
60.92036	0.7
67.05508	12.0
69.03426	1.8
69.07079	2.5
71.04991	1.8
79.05497	12.5
79.05927	1.3
81.03423	100.0
81.07063	13.6
83.04999	5.4
83.08625	15.4
85.06552	0.9
91.04916	1.1
91.05486	17.3
91.06029	1.5
93.07034	7.4
95.04977	21.6
95.08603	4.5
97.02905	2.1
97.06551	1.6
97.10172	2.2
98.20729	1.5
98.98493	1.6
105.07035	12.9
107.04970	4.0
107.08636	3.6
109.06522	2.5
109.10197	1.0
111.04449	1.6
111.08080	8.1
115.05479	1.3
117.07030	1.4
119.08585	12.5
121.10146	4.9
123.08092	1.9
123.11738	1.0
128.57191	0.7
129.07001	7.9
131.08598	7.0
133.06474	2.2
133.10114	3.8
137.09589	1.0
142.07761	2.4
145.10176	0.9
147.08070	3.4
147.11682	7.6
149.09633	4.2
157.10135	10.3
163.11275	0.9
165.12773	1.9
165.89084	0.8
175.11201	9.8
193.12265	22.9
211.13281	3.5
215.91003	0.9
239.02113	0.8
245.77942	0.7
249.14981	1.2
267.15945	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	267.1957
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.03947	2.6
55.01873	1.6
55.05513	8.8
57.03436	3.8
57.07075	1.8
66.85178	0.9
67.05511	15.3
68.60003	1.1
69.03416	1.4
69.07077	7.8
71.04987	1.4
71.08638	100.0
71.52896	1.4
79.05498	10.3
81.03428	20.4
81.07062	13.4
83.04982	4.3
83.08620	7.8
85.06567	2.1
85.30144	1.1
91.05502	16.2
93.07058	11.1
95.04964	7.0
95.08597	5.9
97.06526	1.8
98.98473	1.9
99.08102	91.1
105.03387	7.0
105.07043	5.9
107.04960	16.4
107.08608	4.8
109.06512	2.3
109.10189	6.3
111.08093	2.1
117.07032	1.1
119.08592	6.3
121.10136	5.1
123.08076	1.8
129.06996	2.0
131.08614	4.3
133.10136	12.6
135.08067	5.5
135.11731	1.6
137.09621	4.0
142.42131	1.0
143.07088	2.3
143.08578	1.6
147.08032	1.8
147.11713	4.4
149.06010	11.7
149.09631	22.3
151.11195	29.1
155.08632	1.4
157.10149	2.1
161.09647	4.6
165.09227	1.8
165.12711	1.5
167.10712	3.2
169.10114	1.6
171.11761	1.9
175.11230	1.3
183.10193	1.3
183.11697	2.6
189.16475	1.1
193.10292	1.7
193.12260	3.1
194.96967	1.2
195.11755	1.7
203.17929	1.9
215.66360	1.3
221.18900	1.3
223.14813	2.9
231.17436	5.1
249.18535	12.8
267.15457	2.0
267.17383	6.7
267.20013	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.03962	0.1
53.31090	0.1
55.01859	0.5
56.96567	4.0
57.03434	1.0
60.04528	0.1
61.02915	0.6
69.03435	1.1
69.89024	0.2
69.89417	0.4
70.06590	0.6
70.98119	0.3
71.01369	0.2
71.05001	0.1
71.95258	0.2
72.08147	0.2
73.02918	0.9
81.03416	0.3
81.11385	0.2
84.04496	0.4
84.08142	0.8
84.96020	0.3
85.02917	2.3
85.06504	0.2
86.09700	0.2
87.04482	0.2
89.77805	0.1
94.04030	0.4
95.06095	0.4
97.02881	1.1
97.06533	0.1
97.96857	0.2
98.97582	1.9
99.04459	0.2
107.04936	0.2
109.02882	0.5
109.95944	0.2
110.07178	0.3
110.97563	0.8
112.07620	0.3
112.99194	0.2
115.03941	0.2
116.98611	0.6
119.01826	0.3
119.03561	0.8
121.06490	0.7
122.07176	0.3
123.04424	0.2
127.03920	0.5
128.02304	0.2
128.98613	0.4
130.08667	0.3
131.00160	0.1
136.06190	100.0
137.02341	0.2
137.04573	0.3
137.05957	0.5
139.00684	0.3
140.98531	0.3
143.00168	0.3
144.98128	0.3
145.04970	0.2
146.02353	0.2
147.04466	0.2
150.05492	0.9
151.05846	1.4
155.04584	0.2
156.03305	0.4
157.01718	0.2
158.99725	0.7
161.01262	0.3
161.04807	0.1
164.02284	0.2
164.98505	0.1
170.99644	0.4
173.01263	0.2
173.02806	0.2
174.04399	0.3
177.00711	0.6
182.03392	0.4
182.99715	0.4
185.01233	0.7
186.04373	0.6
187.02817	0.2
188.05222	0.2
189.00742	0.2
189.04327	0.2
189.06142	0.2
189.54338	0.2
190.98711	0.2
191.03911	0.4
197.01181	0.1
197.05925	0.2
201.00705	1.0
202.05606	0.2
202.98578	0.2
203.02313	1.0
204.05409	0.4
206.11815	0.5
210.99181	0.3
219.01753	0.6
219.05196	0.2
220.99745	0.2
221.03337	0.2
227.02055	0.2
228.05431	0.2
229.00185	0.7
237.02887	0.5
244.99724	0.3
247.01222	0.1
253.00307	0.2
261.02817	0.2
263.00803	0.5
263.04343	0.7
268.10419	7.3
271.01373	0.7
286.42114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01864	0.3
56.05029	0.2
56.96568	10.2
57.03437	0.6
58.06252	0.1
60.04525	0.2
60.95856	0.2
61.02928	0.7
65.03933	0.3
67.05506	2.3
69.03427	0.8
69.07076	0.2
70.06583	0.5
70.98109	0.5
71.95261	0.3
72.08158	0.5
72.96057	0.1
73.02915	0.6
74.06081	0.2
74.97604	0.2
79.05485	0.4
80.05007	0.1
81.03413	0.4
81.04537	0.7
81.07002	0.1
84.04501	0.3
84.08155	1.7
84.96031	0.2
85.02425	0.2
85.02911	1.8
85.06542	0.2
85.08478	0.3
86.09711	0.8
87.04492	0.2
88.99151	0.1
89.00793	0.1
91.05481	0.2
94.06572	7.8
95.04970	0.2
96.01551	0.1
96.04482	0.2
97.02902	0.9
97.96869	0.1
97.99159	0.1
98.01339	0.1
98.97588	3.3
99.04462	0.1
100.03979	1.3
100.99120	0.2
101.00834	0.4
101.02372	0.5
102.05598	0.1
102.96856	0.2
104.10732	0.2
106.06554	2.6
107.00154	0.1
107.04960	0.3
108.05268	0.1
109.02882	0.3
109.05213	0.1
110.01274	0.6
110.07181	0.2
110.97589	0.9
112.99119	0.7
113.00936	0.1
115.02375	0.1
116.98627	1.2
118.01025	0.2
118.05000	0.9
119.01834	0.9
120.04494	0.2
120.08092	0.1
120.97923	0.1
121.06509	0.3
122.06030	6.5
122.07141	4.2
122.97562	1.3
123.07489	0.3
124.07876	0.2
124.95480	0.2
124.99125	0.2
124.99955	0.1
125.01763	0.1
127.03963	0.6
128.01476	0.1
128.02299	0.8
128.98621	1.2
129.10245	0.6
129.52437	0.1
130.08636	0.3
130.52490	0.1
130.93295	0.1
131.00114	0.5
131.01869	0.1
132.00786	0.1
132.98042	0.2
133.01625	0.2
133.06526	0.2
134.99641	0.5
136.07538	0.1
137.02859	0.5
137.05965	0.3
138.52957	0.3
140.02307	0.2
140.98592	3.3
141.01331	0.1
141.55328	0.1
142.96576	0.2
143.00148	0.3
143.01891	0.1
144.04927	0.2
144.98024	0.2
145.01642	0.2
145.04979	0.4
146.02417	0.2
146.04341	0.8
146.99635	0.5
147.04433	0.1
147.45952	0.1
148.03847	0.1
149.01242	0.3
149.05995	0.2
150.05508	100.0
151.05861	0.3
152.02312	0.2
152.94974	0.1
153.00641	0.1
153.98639	0.2
154.02052	0.2
154.55327	0.1
155.00203	0.1
155.02827	0.3
155.55022	0.1
156.98058	0.1
158.99666	4.4
161.01273	0.2
161.02798	0.2
162.99097	0.3
163.02644	0.3
163.54842	0.2
164.55595	0.1
165.00708	0.1
166.54266	0.1
167.08266	0.1
168.01765	0.1
168.03488	0.2
168.06561	1.9
170.03363	0.2
170.95993	0.4
170.99701	0.2
171.07666	0.1
172.97588	0.2
173.01350	0.3
173.02936	0.2
174.97742	0.2
174.99167	0.3
175.00655	0.1
177.00723	3.5
177.02345	0.7
177.04117	0.5
177.05431	0.3
178.01123	0.2
178.09525	0.1
181.00047	0.2
181.05009	0.2
181.54268	0.2
182.01350	0.2
182.03113	0.1
184.07373	0.2
184.97549	0.2
186.04620	0.3
186.06085	0.2
186.09976	0.2
187.10226	0.2
188.97096	1.3
189.00548	0.2
189.53029	0.2
190.53505	0.1
190.98705	0.6
191.00121	0.1
191.03896	0.8
193.00186	0.2
194.03108	0.2
195.01796	1.0
195.04723	0.1
197.99387	0.1
198.53679	0.2
200.02570	0.2
200.04424	2.2
200.54547	0.1
201.00775	0.3
202.01086	0.2
202.98637	2.8
203.03712	0.3
203.12596	0.1
204.05203	0.2
204.12886	0.2
206.53770	0.2
206.98097	0.6
207.01747	0.3
208.99669	0.3
209.04977	0.2
210.03981	0.1
211.98660	0.6
212.04138	0.5
212.54195	0.1
214.03842	0.1
215.54347	0.2
219.01877	0.4
220.02271	0.2
220.99710	6.4
221.04692	0.5
221.13667	0.9
221.15587	0.2
224.98964	0.2
225.05919	0.2
226.00330	0.6
227.57007	0.1
229.99702	0.2
231.54086	0.2
232.03407	0.2
232.99687	0.4
237.02846	0.5
239.00777	0.5
243.01758	0.1
244.01437	0.4
244.57526	0.1
245.53630	0.2
247.02025	0.2
249.02829	0.2
250.13478	0.1
251.00854	0.2
251.04074	0.1
253.53699	0.1
255.03931	0.2
261.03003	0.2
262.03140	0.8
267.03833	0.2
267.07245	0.2
267.09781	6.1
267.14139	0.7
267.16721	0.5
285.09805	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85081	0.5
53.79788	0.5
57.03436	0.7
57.15575	0.5
58.06623	0.6
60.07942	0.4
60.08175	4.8
61.02927	1.5
64.68884	0.4
69.03423	1.9
71.50356	0.7
73.02914	3.0
81.03409	0.6
85.02928	3.6
87.04470	4.8
91.03975	0.7
97.02894	1.5
99.04455	2.0
101.02348	0.7
104.10751	52.9
115.04125	0.5
119.28141	0.5
123.11819	0.4
127.03893	1.2
128.24237	0.4
141.23909	0.5
158.34961	0.5
266.16010	100.0
278.69058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.8
59.05008	0.6
61.02933	1.9
67.05500	1.1
69.77309	1.3
69.77711	0.4
70.58358	0.3
71.04997	1.3
75.01141	0.3
78.01524	0.3
79.05495	0.4
81.07064	3.1
85.06557	3.4
87.08112	0.8
94.04071	1.2
99.08129	0.3
119.03558	2.6
119.04939	1.0
123.04461	2.2
136.06190	100.0
137.04616	0.7
147.04387	0.5
150.07793	0.4
165.05478	4.2
220.13312	1.4
234.13518	18.9
249.11288	0.4
266.16138	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2479
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05498	0.8
56.05029	0.4
57.02516	0.3
57.03429	0.3
63.80326	0.4
67.05501	0.6
68.05022	0.5
69.03464	0.4
69.07055	0.7
70.06600	0.6
70.76404	0.7
71.08633	3.2
77.39998	0.3
79.05491	0.8
80.04996	1.3
81.07038	1.4
83.04961	0.8
83.08582	0.5
84.05296	0.5
84.08112	0.6
85.06524	0.4
86.09666	0.6
87.13299	0.4
91.05437	0.6
93.07031	1.6
95.04989	0.3
95.08585	1.8
96.08102	0.8
98.06055	1.1
98.09728	0.7
105.06999	0.5
107.08566	1.1
108.08143	0.5
108.08895	0.5
109.10135	0.5
110.09670	1.8
119.08573	0.5
120.08878	0.4
121.06503	0.5
122.09639	0.9
123.07495	0.4
123.10516	0.7
123.11743	0.5
124.11225	1.3
135.08061	0.7
135.11690	0.9
136.08392	0.7
136.11211	1.9
137.13246	0.7
150.11656	0.5
150.12785	5.6
152.14352	13.1
163.07568	0.7
164.07837	0.8
165.05368	0.3
166.15884	2.4
168.13846	6.5
168.17503	1.7
174.13562	0.9
178.15926	1.5
180.17494	0.7
188.11475	0.8
192.07454	0.4
192.17529	3.0
193.18294	1.2
194.19080	0.6
202.13063	1.0
206.09085	0.3
206.12535	0.4
220.20656	0.6
222.22174	100.0
223.22559	0.6
224.23807	0.6
230.12502	1.4
248.13654	2.3
256.16867	0.4
266.24799	93.4
288.46060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90048	0.4
57.03436	0.7
57.07079	11.2
57.12178	0.4
59.04992	0.8
61.02928	0.6
65.03947	0.5
67.05509	13.5
69.07053	0.4
69.13691	4.2
70.06596	1.2
71.04982	1.5
74.02458	0.6
79.05491	0.7
80.66488	0.5
81.03383	0.5
81.07060	3.0
84.08148	9.0
85.06548	46.6
86.09708	2.2
87.04471	0.6
91.05498	3.8
94.04051	1.2
95.04982	4.5
99.08124	0.5
107.04942	0.7
114.09194	0.4
119.03648	2.5
119.04936	11.9
121.06455	0.6
123.04434	23.0
130.08667	1.1
135.06784	0.4
136.06192	100.0
136.07539	7.0
137.04539	0.7
147.04417	10.4
150.07745	0.8
152.10722	0.7
164.97560	0.5
165.05482	52.6
168.06496	1.0
180.10225	1.0
182.08185	0.8
184.97101	0.4
206.82907	0.5
220.13342	27.4
234.13510	19.7
248.12788	0.5
249.11220	5.1
266.13797	17.7
266.16190	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94156	0.5
55.05496	1.1
57.03437	0.9
57.07075	7.1
59.05000	0.8
61.02915	1.6
65.03941	0.9
66.33890	0.5
67.05178	0.9
67.05506	10.8
68.83706	0.5
70.06604	2.6
71.04993	3.0
71.39481	1.1
72.08157	5.7
73.08481	1.4
74.02435	1.6
79.05489	0.6
81.07065	4.1
84.04498	1.1
84.08145	25.1
85.06547	34.6
86.09707	2.8
91.05485	8.6
94.04059	0.5
95.04959	4.1
103.05455	0.6
107.04978	0.9
109.05125	1.0
113.06011	1.8
113.09644	0.8
116.07062	0.6
118.06440	0.7
119.03561	1.6
119.04943	9.8
120.08143	1.1
121.06503	4.1
122.07034	0.6
123.04434	11.3
130.08650	3.0
133.06490	1.3
136.06194	100.0
136.07559	12.3
137.04642	0.7
142.07773	0.6
147.04391	4.7
147.08063	1.0
149.05988	9.6
150.07747	26.1
157.10204	0.8
159.08080	1.7
161.05980	1.1
162.07826	0.6
165.05481	27.3
170.07346	1.3
175.11165	3.7
177.09111	2.6
185.09656	5.5
192.06610	1.0
200.10745	1.2
202.12292	3.4
203.10696	2.6
220.13335	42.1
234.13496	1.0
248.12845	1.3
248.15056	6.8
249.11143	2.5
266.13843	41.9
266.16217	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47484	0.1
56.83949	0.1
60.38538	0.1
65.10119	0.1
71.45693	0.1
71.50788	0.1
71.51160	0.1
82.99834	0.8
88.76386	0.1
99.73645	0.1
101.00889	5.5
116.98829	0.3
119.01929	7.1
122.97824	0.2
134.99899	0.5
137.02933	0.7
140.98834	1.4
142.03499	0.1
158.99895	4.1
162.50702	0.1
165.99654	0.2
167.72975	0.1
175.03003	0.4
177.00963	15.1
178.01109	0.2
182.99861	1.4
183.01332	0.2
193.03995	0.2
199.03038	0.4
200.02702	0.1
201.00935	4.1
201.02470	0.3
209.98483	0.1
217.04091	2.8
219.02016	20.1
219.94478	0.5
220.02237	0.7
221.02357	0.1
225.00850	2.3
227.99434	0.1
234.00703	0.4
237.95547	0.1
242.03633	0.2
242.96173	0.5
243.01994	14.2
244.02242	0.1
261.03070	100.0
262.03275	1.1
263.03455	0.5
266.00491	0.2
266.03577	0.4
275.04547	0.2
284.04599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	N(alpha)-Benzyloxycarbonyl-L-leucine
Peak:m/z	Relative Intensity
55.01863	1.3
55.05497	2.2
58.44923	1.0
67.05483	3.3
69.76205	2.8
69.76600	2.1
70.06597	2.1
73.66283	1.1
83.20940	1.1
84.08139	6.4
85.06546	2.2
86.09694	1.5
91.05476	3.2
93.07067	1.2
103.05465	1.5
105.07031	3.9
107.04949	5.6
115.05447	2.1
117.06985	1.8
119.04942	1.9
119.08549	1.3
121.06512	7.3
128.06209	1.4
129.07027	5.7
131.04930	4.2
131.08569	5.9
133.06491	17.1
135.04448	6.4
135.06828	2.8
136.07578	1.3
141.06964	2.1
142.07796	8.5
143.08551	3.3
144.05739	2.7
145.06477	8.8
146.05956	1.2
146.07179	1.7
147.08034	3.3
148.07588	7.5
149.05988	12.6
150.07764	18.7
152.10666	1.4
156.05605	1.4
157.06494	5.8
157.10158	11.0
159.08061	15.6
160.07550	7.6
160.08717	1.3
161.06007	2.9
161.09621	20.0
163.07550	4.0
167.08591	3.2
170.07277	17.2
171.07994	1.9
173.09621	3.2
175.11189	30.6
176.10728	2.4
177.09103	6.8
185.09627	63.6
187.09769	1.7
187.11223	20.4
189.09116	10.8
196.70540	1.1
200.10689	16.8
202.12267	51.2
203.10666	35.0
203.12572	1.8
204.13817	3.9
207.10190	4.4
213.09084	5.2
220.13338	100.0
231.10184	22.6
248.12813	20.8
248.15132	4.3
249.11194	10.6
250.84419	1.1
266.13855	90.3
266.16214	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	265.1801
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.90505	1.1
53.03955	11.0
55.01880	9.3
55.05517	22.9
57.03429	1.6
59.15120	1.5
65.03950	1.1
67.05512	25.3
69.07075	100.0
69.86357	3.4
69.86767	2.2
71.05001	2.8
79.05505	23.9
81.03424	31.3
81.04545	1.6
81.06598	1.4
81.07063	19.9
83.04984	10.1
83.08636	11.5
85.06546	4.1
91.05492	22.5
93.07051	22.3
93.42259	1.1
95.01330	3.5
95.04974	17.6
95.08609	4.5
97.06548	17.4
97.09357	1.1
98.21617	1.2
99.08105	1.5
103.05470	1.6
105.07037	15.6
107.04963	20.1
107.05640	1.7
107.08599	19.3
109.06535	6.1
109.10177	3.8
111.04474	1.4
115.05478	1.2
116.06241	1.4
117.07043	12.6
119.08569	6.6
121.06513	3.8
121.10145	11.8
122.07178	11.1
123.08058	2.5
123.11673	1.3
125.06013	2.5
125.09650	1.1
129.07024	2.3
131.04939	1.4
131.08577	31.4
133.06522	12.1
133.10155	10.1
135.08066	12.0
137.09593	2.2
141.07013	2.3
144.04797	2.8
145.06476	1.4
145.10149	6.7
147.11780	1.3
149.09631	54.7
151.07460	0.9
151.11197	13.6
159.08084	12.0
159.11688	2.5
161.09621	2.2
161.13341	1.1
165.09157	2.5
169.10141	1.9
173.09692	2.1
177.09131	17.9
181.08539	1.2
183.10257	1.8
187.11237	3.5
187.14839	2.1
191.10730	3.0
195.10164	7.6
201.16385	4.2
219.17494	3.8
229.15968	4.7
231.57991	1.1
247.16969	10.5
265.00235	1.5
265.11890	1.2
265.17941	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	265.1801
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03956	3.7
55.01873	5.9
55.05517	42.2
57.03443	19.5
58.90044	2.4
67.05505	38.2
69.07074	15.4
71.04993	4.6
71.85102	2.4
73.06538	2.6
79.05495	23.0
81.03424	6.7
81.04552	7.4
81.07059	45.5
83.04997	7.0
83.08609	23.9
84.96059	2.6
85.06532	14.1
91.05486	29.1
93.07047	25.7
95.04956	15.1
95.08613	32.1
97.06525	3.7
97.57678	2.6
100.07642	2.7
105.07011	13.5
107.08612	16.6
107.88100	2.5
109.06524	12.0
109.10159	21.8
117.07063	13.1
119.08597	12.4
121.06553	3.2
121.10137	9.3
122.07170	59.0
122.99581	2.4
123.08075	2.8
123.11722	9.0
129.06989	3.7
131.08591	20.0
133.10127	8.0
135.08058	25.7
135.11668	4.0
137.09633	4.8
143.07051	3.9
143.08449	2.7
144.04779	15.3
145.10112	13.2
147.08011	3.7
147.11737	7.6
149.09641	12.8
149.13205	2.6
157.10136	7.0
159.11754	2.8
163.11186	2.8
165.09064	4.7
169.10173	2.8
173.13281	17.7
175.11229	13.9
175.86458	2.4
177.09178	3.1
191.14317	100.0
201.16492	3.6
229.15858	6.8
247.16878	14.1
265.17661	14.8
265.21808	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	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03936	2.7
53.73918	1.1
55.01865	4.1
55.05515	10.5
57.03428	3.5
57.07071	4.7
65.03945	1.3
67.05509	35.1
69.07068	11.6
69.26930	9.6
71.05006	2.1
71.08623	1.6
79.05497	14.4
81.03424	7.0
81.07059	23.5
83.04977	4.6
83.08620	2.6
85.06557	5.9
85.10184	3.6
91.05486	9.2
93.07043	16.0
95.04964	5.9
95.08610	100.0
97.06521	7.6
99.08128	1.5
105.07023	5.6
107.04974	1.7
107.08591	5.5
109.06553	2.5
109.10184	8.5
110.92740	1.4
113.09657	4.1
117.06997	2.3
119.08582	3.9
121.10164	4.3
121.69140	1.3
122.07149	5.9
123.08070	4.4
123.11661	1.6
131.08549	3.5
133.10158	2.8
135.11705	3.7
137.09583	1.2
137.13229	1.2
141.09093	9.0
141.10037	1.5
144.04752	1.5
145.10159	2.1
147.11642	1.7
151.11191	3.4
159.10172	17.3
159.11447	1.2
161.13271	2.2
163.11147	1.7
165.12769	4.6
195.13885	1.6
195.46117	1.1
196.96605	2.4
229.19643	1.7
241.98804	3.7
247.16965	1.4
247.20609	4.6
265.00479	1.9
265.15707	1.6
265.18726	2.1
265.21674	43.9
265.24747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
52.66102	1.5
53.03950	8.7
55.01877	15.8
55.05513	32.5
57.03440	3.8
57.07088	2.2
60.19685	1.7
62.85820	1.5
65.03950	2.0
67.05508	40.7
69.03422	4.7
69.07070	40.3
69.20206	5.8
69.20628	8.8
71.05001	8.8
71.08602	1.7
73.06542	1.7
79.05495	48.5
81.03425	18.4
81.07059	94.2
83.04973	7.5
83.08620	32.8
85.06535	5.8
89.18325	1.5
91.05480	34.4
93.07046	46.5
95.04984	25.7
95.08605	30.4
97.02872	7.2
97.06536	15.7
99.04420	1.7
99.08086	3.9
105.07034	22.5
107.04301	2.8
107.04961	32.7
107.08606	26.0
109.06521	37.1
109.10162	19.2
111.08082	9.7
113.05994	1.6
115.05437	3.3
117.07024	19.6
118.14798	1.5
119.08591	23.6
119.53913	1.5
120.61906	1.6
121.06518	11.5
121.10162	18.8
122.07171	8.6
123.04422	2.3
123.08060	10.5
123.11700	4.6
125.05981	2.2
125.09608	2.8
129.06950	3.1
131.08563	21.4
133.06476	6.0
133.10136	15.4
135.08057	44.4
135.11703	6.5
137.09613	12.8
139.11198	2.7
141.06946	1.8
143.06981	1.7
143.08554	3.2
144.04791	2.0
145.06529	10.7
145.10129	16.1
147.08061	3.2
147.11678	4.5
149.09622	42.7
151.07559	3.8
151.11186	8.9
153.09135	2.9
154.78864	1.6
157.10104	2.3
159.08127	3.6
159.11685	6.0
161.09618	4.8
161.13255	2.2
163.07567	8.5
163.11189	14.2
165.09145	6.2
165.12791	2.0
169.10147	5.0
173.09676	4.1
173.13306	4.4
177.09145	7.8
177.16335	1.6
179.10722	3.2
181.08504	2.4
183.10181	2.3
183.11688	2.0
185.13287	2.4
187.11240	4.1
187.14822	3.6
190.06322	1.8
191.10623	3.9
195.10115	3.4
201.16374	14.4
209.11679	3.6
211.14764	5.7
219.17464	11.6
229.15894	12.0
237.18497	1.7
247.16948	51.1
265.17987	100.0
266.18420	1.8
267.70380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03927	4.3
55.01877	16.6
55.05515	30.0
56.96546	2.1
57.03404	9.9
57.07042	5.3
57.86297	1.9
59.04954	2.3
67.05508	57.8
69.03387	9.4
69.07069	62.3
71.04951	10.2
71.12648	4.7
72.94460	2.0
73.06529	4.4
77.03892	2.6
79.05493	64.2
80.82552	2.4
81.03404	12.0
81.04491	8.0
81.07060	87.6
83.04971	12.2
83.08625	20.9
84.08091	6.1
85.02866	2.2
85.06489	8.0
85.06979	2.2
87.04440	2.7
91.05483	51.7
93.07050	64.0
95.04979	27.1
95.08611	50.9
97.02825	9.4
97.06541	30.5
97.10135	4.0
99.04432	2.4
99.08035	7.1
103.05431	5.3
105.06321	2.4
105.07028	39.1
107.04963	21.5
107.08594	63.2
109.06522	26.6
109.10157	26.5
111.04391	8.0
111.08008	9.2
113.05941	4.9
113.09604	2.2
115.05389	9.5
117.07028	46.0
119.08595	32.2
121.02808	3.4
121.06509	13.2
121.10154	25.7
122.07152	72.3
123.04357	2.6
123.08051	16.6
123.11622	6.3
125.05894	3.2
125.09566	6.9
127.07497	2.9
128.06171	3.6
129.06923	8.9
131.04854	2.7
131.08571	40.0
133.06401	5.3
133.10117	27.6
135.08055	36.2
135.11717	12.9
137.09628	17.1
137.13126	3.7
141.06956	2.5
143.07068	13.0
143.08488	6.3
144.04758	18.8
145.06488	50.4
145.10123	33.5
147.07951	7.4
147.11589	8.9
149.09625	50.0
149.13173	4.2
151.07500	6.2
151.11067	8.8
153.08986	9.4
155.05925	7.3
155.08495	4.0
156.05598	9.3
157.06406	2.8
157.10039	3.1
158.10979	2.2
159.07957	5.3
159.11700	17.4
160.98016	2.9
161.08078	4.1
161.09515	10.1
161.13168	2.7
163.07497	2.5
163.11209	15.1
165.09103	10.4
167.06966	5.4
167.10568	3.4
169.09988	9.9
171.11568	4.4
172.12122	2.6
173.05991	57.7
173.09540	4.3
173.13203	6.8
175.07549	3.4
175.11220	2.6
175.14752	2.8
177.09024	7.4
177.12680	2.5
177.16241	5.7
178.15787	3.8
179.10612	4.1
179.16095	9.3
181.09810	2.7
183.11613	3.4
185.13182	6.2
187.11099	9.9
187.14755	11.2
189.12546	2.5
190.06245	19.8
191.06963	2.6
191.14236	5.5
201.12721	2.5
201.16412	27.6
203.06891	7.2
203.14194	3.4
205.06580	5.7
205.08582	48.8
205.12010	3.1
205.15767	4.0
208.23878	2.4
211.14673	9.3
217.08662	26.5
219.10048	3.3
219.17450	18.4
222.06516	3.7
229.15874	36.1
235.09373	6.4
237.18318	3.6
247.09427	7.3
247.16939	100.0
265.08292	13.4
265.10840	5.2
265.14862	4.0
265.17767	76.8
265.19629	7.4
265.24622	10.2
265.28314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03957	3.9
55.01872	2.8
55.05515	45.2
58.22571	1.9
58.23033	1.8
65.03944	3.7
67.05508	55.4
69.03424	2.8
69.06733	3.2
69.07077	42.4
69.33024	17.4
71.04998	3.0
73.06558	7.2
79.05500	88.6
81.03416	5.6
81.07069	49.1
83.04977	5.4
83.08630	20.0
85.06551	3.6
91.05485	41.2
93.06485	4.0
93.07053	66.2
95.04983	10.9
95.08610	34.9
97.06531	14.6
105.07035	21.9
106.13801	1.9
107.04962	21.1
107.08603	50.5
109.06517	5.0
109.10152	15.2
111.08096	3.9
115.07567	4.2
117.07024	17.0
119.08591	39.8
121.10159	20.2
122.07158	27.1
123.08110	4.7
123.11681	5.8
125.06023	12.4
128.06259	2.4
129.07031	5.8
131.08575	47.4
133.10138	27.4
135.08040	3.9
135.11685	12.7
137.09627	2.8
141.06999	4.1
141.09117	3.1
143.07033	32.4
143.08551	5.3
144.04805	5.7
145.10124	31.1
147.08057	3.4
147.11696	4.0
149.09634	100.0
157.10117	7.3
159.11723	28.6
161.08099	10.1
163.11183	4.8
165.09142	4.4
165.81845	2.0
169.10162	3.7
173.13287	21.8
177.09111	3.8
183.10165	2.9
183.11678	4.5
185.13231	9.4
187.11237	6.0
191.14401	2.1
195.10176	4.5
201.16388	77.7
211.14810	9.0
219.17511	2.4
229.15878	25.1
241.98853	3.1
247.16986	22.8
265.11609	2.3
265.17877	23.8
278.57175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03934	2.1
55.01876	6.6
55.05272	1.1
55.05515	13.0
57.03423	2.3
57.07067	2.3
65.03930	1.4
66.75735	0.7
67.05508	33.7
69.03416	2.2
69.07072	38.3
69.48163	1.4
69.48567	4.1
71.04999	4.9
73.06534	1.4
79.05497	26.2
81.03410	2.6
81.04494	1.1
81.07060	37.6
83.04992	9.7
83.08626	4.5
85.06548	5.8
91.04917	0.9
91.05482	24.5
93.07049	28.3
95.04974	12.9
95.08614	23.9
97.06533	6.5
97.10183	0.9
99.08088	1.3
101.05350	0.7
101.05993	1.1
105.07036	29.9
107.04951	11.1
107.08598	18.7
109.06516	9.2
109.10168	11.1
111.08080	3.5
115.05418	0.8
117.07028	11.0
119.08585	19.1
121.06520	10.8
121.10145	17.4
122.07159	13.4
123.04443	0.9
123.08074	5.8
123.11712	3.9
125.06044	0.8
125.09641	1.7
128.06197	0.9
129.06995	2.5
130.07784	1.4
131.04982	0.9
131.08577	20.5
133.06496	3.1
133.10144	18.1
135.08067	6.9
135.11696	9.3
137.09631	4.9
139.07538	0.8
139.11168	1.2
139.30449	0.9
141.06979	1.5
143.08597	4.1
144.04793	2.9
145.06453	2.8
145.10132	27.5
147.08029	4.0
147.11700	6.2
149.09636	19.8
149.13264	1.9
151.07431	1.3
151.11191	14.3
155.08571	2.5
157.10130	1.5
159.08057	2.0
159.11685	9.1
161.09648	3.7
161.13260	3.3
163.11191	33.2
165.09120	1.5
165.12750	1.0
169.10109	3.4
171.11678	1.6
173.09642	6.8
173.13277	2.7
175.11137	2.1
175.14749	1.1
177.09138	1.6
177.12762	2.9
177.16377	3.1
179.10693	7.7
183.11612	1.2
185.13235	3.2
187.11177	5.3
187.14807	5.3
189.12743	1.7
191.10704	6.2
191.14287	0.9
191.18001	0.9
193.12212	0.8
195.19734	0.8
201.12788	1.1
201.16397	15.3
203.14360	2.7
205.12225	2.4
205.15919	1.0
207.13797	1.9
208.97079	0.7
209.11702	4.2
211.14845	5.4
219.17453	26.9
221.15315	1.3
229.15875	16.2
237.18471	2.4
241.98827	1.0
247.16945	59.7
265.17996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.05509	0.6
56.05056	0.4
56.96580	0.4
60.08171	0.3
67.05519	1.0
69.03423	0.5
69.07074	1.2
70.06593	2.8
70.09464	1.0
70.09833	0.6
71.05009	0.4
72.08160	24.3
79.05501	0.5
81.03409	0.3
81.04547	2.8
81.07047	0.7
82.07369	0.3
84.04507	1.4
84.08147	4.0
85.02913	0.6
85.06509	0.3
86.09708	4.2
89.03919	3.6
89.10796	12.6
91.05487	1.3
93.07047	1.6
95.05012	0.4
97.02906	0.3
97.06553	0.4
98.06030	0.7
98.09632	0.3
98.74731	0.3
99.04473	0.3
103.05499	0.4
105.07015	0.4
106.04185	0.5
107.04960	0.4
114.09146	0.6
115.08698	1.8
116.07063	0.5
117.03389	18.9
119.04927	0.4
119.08588	0.6
120.08110	1.4
121.06522	3.0
121.10172	0.4
122.07166	21.6
129.10263	0.6
130.05005	0.4
130.08603	0.8
134.03682	0.9
135.04411	1.0
135.07951	0.3
135.09970	0.3
144.04811	4.5
144.05840	0.6
145.02856	57.1
146.06032	0.5
147.04437	0.4
149.05981	9.3
152.05669	1.1
159.07968	0.4
163.03973	0.7
175.11903	1.2
177.05479	100.0
178.05879	0.3
186.05435	0.4
188.06961	0.4
203.10672	0.4
205.08568	0.5
219.15015	0.4
220.13310	1.5
229.09682	0.4
248.12851	6.2
265.15482	20.9
266.13712	0.5
267.01599	0.4
288.20209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.94673	1.7
53.03936	5.0
55.01881	17.6
55.05516	25.9
55.90450	1.7
57.03421	2.5
62.56530	1.6
63.56976	1.8
65.03946	3.8
67.05511	41.5
69.03429	3.1
69.07076	59.7
71.05002	9.6
71.25809	2.7
72.30128	1.9
73.06545	5.5
79.05502	68.1
81.03439	10.0
81.04530	4.2
81.07066	42.8
83.04969	5.7
83.08627	19.4
85.06543	14.3
91.05489	45.8
93.07062	48.9
95.04971	15.6
95.08615	33.1
97.05934	2.4
97.06537	35.9
97.10177	2.5
99.08110	1.8
105.07043	40.2
107.04975	10.3
107.08602	100.0
109.06525	13.1
109.10165	14.5
111.08066	4.8
113.05988	2.0
115.07569	4.2
116.57204	2.3
117.07027	17.7
119.08600	30.1
121.02884	3.2
121.06508	6.4
121.10153	19.8
122.06329	3.4
122.07166	47.6
123.08076	7.5
123.11694	4.1
125.05977	4.8
125.09632	2.6
129.06996	5.4
129.22849	1.9
131.08577	29.8
133.06529	4.3
133.10152	23.7
135.08076	19.7
135.11700	9.2
137.09619	6.1
141.06973	3.8
143.07053	26.4
143.08565	5.0
144.04799	11.9
145.06476	3.4
145.10143	35.8
146.23329	2.1
147.08032	6.0
147.11682	8.1
149.09636	30.5
149.13303	2.3
151.11157	4.2
153.09142	2.9
155.08553	4.2
157.10068	2.2
159.08057	2.7
159.11719	14.6
161.08128	4.4
161.09662	5.7
161.13281	2.3
163.11157	7.7
165.09039	4.3
169.10152	7.4
173.09624	4.9
173.13269	7.9
175.11119	3.1
177.09087	3.6
179.10701	1.8
183.11746	4.0
185.13277	5.3
187.11200	5.9
187.14830	6.9
188.08293	1.9
191.10670	2.0
191.14432	2.2
195.10043	2.6
201.16406	33.3
205.08482	4.2
205.15915	5.8
211.14790	9.5
219.17433	9.7
223.13242	2.0
229.15907	24.1
241.98650	2.2
247.13171	3.0
247.16956	71.7
247.20670	3.4
253.72070	2.0
265.14319	5.9
265.17987	45.4
265.21701	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	265.1071
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.05510	1.2
67.05503	2.4
69.03434	2.2
69.07066	1.4
69.79178	1.0
71.52299	1.8
72.08163	1.3
79.05479	4.8
81.03416	2.3
81.04531	2.8
81.07042	3.3
83.04965	1.3
84.08153	1.4
87.04449	1.5
91.05470	6.4
93.07057	3.1
95.04964	2.3
95.08609	1.5
97.02895	1.7
103.05463	5.1
105.07030	3.3
107.04969	3.1
107.08566	2.0
109.36401	1.1
115.03916	1.4
115.05461	21.3
117.07029	40.8
117.35555	1.0
119.08564	2.4
121.10145	1.7
122.07162	15.0
127.05406	2.1
128.06219	1.9
129.07008	4.2
130.04123	3.3
131.04950	2.5
131.08553	3.9
132.05708	2.6
133.10161	1.3
135.08043	1.6
135.11664	2.3
136.06171	3.6
143.04947	2.5
144.04785	3.9
145.06493	74.3
145.10121	2.4
147.04446	2.2
147.08014	4.8
149.09622	2.8
155.04993	1.6
155.06055	13.8
156.05708	18.7
157.06497	3.6
159.08047	3.1
160.05212	4.4
161.06042	8.1
163.11226	1.9
167.07184	1.4
173.05998	100.0
175.03932	1.6
175.07513	4.4
187.07544	3.6
189.09164	5.7
190.06259	38.5
201.12727	1.5
202.06281	5.2
203.07025	15.8
205.08620	80.3
217.08620	56.4
219.10068	2.3
222.06606	1.3
223.09602	1.4
229.12328	1.4
235.09688	9.3
247.05855	1.7
247.09671	3.8
247.13371	1.0
247.16914	1.8
265.08441	2.8
265.10931	3.4
265.14307	4.4
265.18079	1.4
273.76740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
67.05503	2.4
69.03434	2.2
69.07066	1.4
69.79178	1.0
71.52299	1.8
72.08163	1.3
79.05479	4.8
81.03416	2.3
81.04531	2.8
81.07042	3.3
83.04965	1.3
84.08153	1.4
87.04449	1.5
91.05470	6.4
93.07057	3.1
95.04964	2.3
95.08609	1.5
97.02895	1.7
103.05463	5.1
105.07030	3.3
107.04969	3.1
107.08566	2.0
109.36401	1.1
115.03916	1.4
115.05461	21.3
117.07029	40.8
117.35555	1.0
119.08564	2.4
121.10145	1.7
122.07162	15.0
127.05406	2.1
128.06219	1.9
129.07008	4.2
130.04123	3.3
131.04950	2.5
131.08553	3.9
132.05708	2.6
133.10161	1.3
135.08043	1.6
135.11664	2.3
136.06171	3.6
143.04947	2.5
144.04785	3.9
145.06493	74.3
145.10121	2.4
147.04446	2.2
147.08014	4.8
149.09622	2.8
155.04993	1.6
155.06055	13.8
156.05708	18.7
157.06497	3.6
159.08047	3.1
160.05212	4.4
161.06042	8.1
163.11226	1.9
167.07184	1.4
173.05998	100.0
175.03932	1.6
175.07513	4.4
187.07544	3.6
189.09164	5.7
190.06259	38.5
201.12727	1.5
202.06281	5.2
203.07025	15.8
205.08620	80.3
217.08620	56.4
219.10068	2.3
222.06606	1.3
223.09602	1.4
229.12328	1.4
235.09688	9.3
247.05855	1.7
247.09671	3.8
247.13371	1.0
247.16914	1.8
265.08441	2.8
265.10931	3.4
265.14307	4.4
265.18079	1.4
273.76740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
55.05506	7.6
55.05757	2.3
57.07066	2.4
67.05496	10.6
68.99781	4.7
69.03436	13.5
69.07060	10.4
69.37959	3.8
69.38361	15.2
71.05006	2.9
79.05489	13.7
81.04549	3.0
81.07043	17.6
83.04984	41.4
83.08620	6.6
85.06536	5.2
87.04430	2.7
91.05479	16.1
93.07038	20.1
95.04993	5.7
95.08610	14.6
97.02900	4.2
97.06522	5.7
97.10185	2.6
105.07017	18.7
107.08607	31.0
109.02869	10.5
109.06537	15.5
109.10172	9.8
110.85552	2.5
111.04459	23.7
111.08083	6.0
113.05998	7.6
115.05438	6.5
116.63109	2.7
117.07027	14.3
119.08597	23.3
120.29077	2.4
121.02921	2.5
121.06521	30.1
121.10131	10.9
122.07169	34.2
123.04530	2.7
123.08070	8.6
123.11700	4.7
125.09618	3.2
129.06917	4.7
131.08594	11.4
133.10130	8.2
135.04471	2.6
135.08063	65.0
135.11688	7.5
136.96190	2.5
137.05984	3.5
137.09627	7.3
137.13266	4.2
139.07596	2.5
143.08565	6.3
144.04764	13.1
144.09312	5.6
145.06461	12.8
145.10139	9.3
145.56580	2.5
147.08023	4.4
149.05992	6.0
149.09616	17.4
149.13313	3.4
151.07513	6.3
151.11266	3.1
153.09050	5.1
155.08554	3.3
157.10078	2.9
158.10957	6.7
159.08049	6.7
159.11697	23.1
160.08792	3.9
161.09653	6.9
163.07578	39.1
163.11229	12.1
165.09152	3.7
168.09300	3.1
170.10944	3.0
171.08142	3.3
172.08867	9.6
173.05969	9.6
173.09669	11.7
173.13261	23.0
177.12830	3.0
183.11739	6.7
186.10410	9.2
187.11221	61.6
189.09148	3.1
191.07008	21.0
201.12778	45.2
205.08618	7.3
205.12242	13.8
206.42140	2.7
209.08090	7.7
211.11235	7.6
214.09894	2.6
217.08632	5.4
219.13809	16.4
222.22206	6.5
229.12241	59.5
247.09604	4.1
247.13318	100.0
265.08423	3.3
265.11804	3.5
265.14401	12.7
265.25308	5.5
266.24890	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.72021	0.8
53.03956	2.0
55.05515	12.2
57.03444	2.3
57.07084	9.9
60.10141	0.8
65.03940	2.4
66.92776	1.1
67.05512	86.4
69.07077	16.4
69.85890	2.6
69.86276	1.8
71.04997	1.4
71.08636	7.0
79.05495	20.5
81.07065	100.0
83.08625	15.8
85.06551	3.0
85.10198	2.7
91.05492	15.2
93.07052	23.0
95.04978	2.3
95.08617	85.3
97.06544	7.8
97.10166	8.3
99.08097	6.0
105.07035	11.0
107.08605	15.0
109.06544	2.1
109.10168	43.5
111.08112	4.4
111.11736	1.2
113.09634	2.9
119.08584	11.9
121.10159	19.2
123.08044	2.4
123.11723	20.9
127.11217	1.3
133.10152	12.1
135.11711	10.3
137.09596	1.7
137.13266	5.9
141.12764	2.1
147.11708	9.2
149.13271	8.0
151.11118	1.5
151.14844	9.4
155.14349	1.9
161.13266	10.5
163.14847	9.4
165.16383	8.7
175.14833	6.9
177.16356	1.7
179.18048	4.2
181.15877	1.3
189.16299	4.4
203.17982	1.6
245.22681	38.6
247.11638	1.2
248.12331	1.0
263.10657	1.3
263.14484	7.2
263.23734	87.0
264.23795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.5
53.69366	0.7
55.05511	12.8
57.03438	2.1
57.07077	11.6
61.98926	0.7
63.78018	0.7
65.03944	2.2
67.05506	80.2
69.03447	0.9
69.07072	17.0
71.04993	2.7
71.08631	6.7
71.52551	1.0
79.05496	20.9
81.07059	100.0
83.04977	1.8
83.08620	15.8
85.06542	4.5
85.10201	3.0
91.05483	16.8
93.06484	1.5
93.07050	23.2
93.07642	1.2
95.04971	0.9
95.08611	84.4
97.06525	8.1
97.10178	7.3
99.08102	7.2
105.07027	9.4
107.08600	14.1
109.06548	1.6
109.10159	49.5
111.08078	3.7
111.11700	1.3
113.09648	2.9
119.08579	11.6
121.10149	17.2
123.08081	2.3
123.11713	21.4
125.09644	0.9
127.11237	1.4
131.08612	0.9
133.10138	15.8
134.43137	0.8
135.11693	11.5
137.09613	2.4
137.13251	8.5
141.12761	3.0
147.11708	9.6
149.13249	8.0
151.11195	1.6
151.14836	8.6
155.14301	2.7
161.13268	13.6
163.14795	9.8
165.16412	11.5
167.14282	1.4
175.14841	8.2
177.16417	2.3
179.14307	1.0
179.17982	4.7
181.15938	0.9
189.16336	4.3
203.17967	2.0
217.19499	1.4
241.46407	0.7
242.99158	0.9
245.22661	44.3
253.11900	0.7
263.10678	1.6
263.23712	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67882	0.7
55.05525	0.9
56.96569	100.0
57.03451	1.0
61.02929	1.6
68.05032	1.2
69.03439	1.1
69.07077	0.9
69.73845	1.4
69.74255	2.8
70.06595	2.1
70.98133	1.9
71.95255	2.2
72.08157	1.9
72.96053	5.1
73.02911	1.1
73.06550	2.7
74.97614	0.9
79.05478	0.8
81.03439	1.1
81.07041	1.8
83.04969	0.8
83.97646	5.0
84.04512	11.4
84.08165	1.5
84.96052	0.9
85.02908	4.3
87.04479	0.8
96.04514	1.4
97.02899	1.7
97.06540	0.9
98.06074	2.1
98.97588	24.8
102.05553	1.7
103.03953	1.7
110.07165	1.1
110.09691	3.6
110.97576	2.1
114.05535	5.6
116.98635	9.3
122.07191	4.2
128.02348	0.8
128.98630	2.3
130.05029	5.2
134.09653	0.8
134.99631	2.2
135.04440	0.9
138.09161	3.5
142.05003	5.3
144.04813	1.0
144.96866	1.7
146.04143	0.9
146.99686	0.8
147.01196	0.9
147.03316	1.4
147.05809	1.9
149.02722	1.0
150.07721	5.9
151.00627	0.9
155.04680	9.0
156.10165	6.2
158.99641	1.8
163.00670	1.0
163.03922	1.8
165.02269	3.8
165.04382	1.2
167.03745	1.1
176.02428	1.4
176.03853	17.2
177.00754	1.6
177.02280	1.1
178.05423	11.1
179.00160	2.0
181.01711	1.7
183.03299	7.2
184.09731	4.6
185.01231	1.0
186.02246	2.3
190.01761	3.3
192.03346	3.2
194.04907	6.0
196.06461	5.1
197.01234	2.3
201.04361	3.8
202.10762	36.0
203.02353	0.9
204.03223	12.5
208.02844	9.0
210.04506	1.3
219.03355	2.7
222.04396	92.3
226.03883	3.9
240.05452	59.8
245.06061	2.0
246.13387	3.3
264.05426	31.9
264.11899	0.9
264.14633	8.3
282.06418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46598	0.6
56.96307	0.9
56.96567	15.2
61.02918	0.8
69.03433	1.0
69.88352	3.2
70.98127	4.1
70.99844	1.9
71.95261	1.3
73.02921	1.1
77.00902	1.3
79.03500	0.7
82.99841	5.6
84.08128	1.4
84.96035	0.8
85.02905	1.7
86.99322	1.0
89.00884	0.8
94.99850	1.1
97.02882	1.9
98.06055	1.1
98.97585	14.8
99.22285	0.6
101.00883	41.1
103.00616	0.9
110.97514	1.4
112.99136	0.9
113.00875	10.0
115.02402	1.3
115.70647	0.7
116.98654	4.8
119.01921	31.2
121.01669	1.1
122.97552	1.0
124.95477	2.3
127.02414	2.3
128.98615	1.4
131.00163	0.8
131.01912	16.1
133.03467	1.0
134.99672	0.9
137.00870	0.7
137.02922	2.0
139.02414	2.5
140.98573	1.6
142.96605	1.6
143.01901	71.0
144.01988	0.8
145.03458	3.8
146.99681	1.4
154.03880	4.7
154.96556	0.9
155.01895	12.2
157.03485	7.9
158.99696	2.6
159.01390	1.5
161.02963	100.0
162.03055	1.0
162.78732	0.7
162.99040	0.8
163.04489	1.4
167.01959	3.4
169.03590	0.8
170.96019	4.7
172.97557	2.0
173.01456	1.5
173.02968	27.6
174.99142	1.0
175.00768	0.6
175.04538	1.8
177.00694	0.9
179.04021	1.4
182.03354	0.6
184.00006	0.6
184.04572	1.4
184.97568	1.1
185.02943	8.9
187.04405	1.1
188.97093	5.1
190.98679	2.2
191.02371	0.6
191.04018	16.9
197.03070	2.2
198.02498	1.3
198.99300	0.9
202.98729	4.5
203.02306	1.4
203.04008	36.0
206.98167	1.3
212.97183	0.9
214.98700	1.1
215.04025	1.3
217.00194	1.5
220.99655	2.4
221.03183	1.3
221.05060	8.3
221.07013	0.7
230.98129	2.7
232.99684	0.7
233.05026	2.3
239.00574	0.6
239.06111	3.1
240.03456	1.5
245.05116	1.8
248.99362	1.1
251.04399	1.6
251.07695	0.8
260.06244	1.0
263.06158	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1392
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.01876	0.5
55.05514	2.8
56.05844	1.8
58.99586	2.0
59.18752	0.3
67.05492	0.5
70.06597	30.5
70.84224	0.8
78.04885	0.3
79.05467	0.5
81.03376	0.3
81.07066	0.8
83.08621	1.4
84.08152	0.8
84.08956	1.4
86.09716	1.7
86.99051	1.6
91.05481	1.4
93.07072	2.4
95.04948	0.3
95.08610	0.9
97.06532	0.4
98.06039	0.4
103.05466	6.1
103.27420	0.4
105.07022	0.8
105.20917	0.3
107.08606	0.5
108.08124	0.4
109.04576	0.3
110.07144	0.3
115.64798	0.3
116.01698	3.6
116.07101	82.3
117.02040	1.3
119.08506	0.5
120.08112	100.0
121.06515	0.4
125.09574	0.4
131.04912	0.4
132.10229	0.4
136.07573	1.1
144.01154	1.4
145.01500	0.4
147.04327	0.4
162.02199	3.2
163.02519	3.0
224.71631	0.3
262.67291	0.3
263.06631	0.6
263.13931	19.8
270.39725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1644
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03915	2.4
55.01863	5.7
55.05516	42.4
56.75317	1.6
57.03430	2.6
57.07051	2.6
65.03947	3.0
67.05495	7.0
69.03423	4.3
69.07058	5.9
71.04973	3.7
71.52219	2.6
79.05488	14.0
81.07061	35.2
83.04980	4.0
83.08624	100.0
88.51910	1.7
91.05485	15.5
93.07056	19.3
94.04183	2.6
95.04982	12.3
95.08631	13.3
97.06512	8.8
105.07048	9.9
107.04940	4.4
107.07889	2.9
107.08603	39.7
109.06524	78.6
109.10171	2.7
110.50109	1.6
111.08105	12.1
113.09645	5.2
117.06981	2.6
119.04935	4.9
119.06071	1.6
119.08579	9.9
121.06529	2.8
121.10173	8.1
123.08070	8.2
125.06106	1.9
125.09637	12.9
127.07542	2.9
131.08553	3.7
133.10121	6.3
135.08081	2.2
135.11702	3.8
137.05966	19.5
137.09650	2.7
139.11191	16.4
143.08546	3.0
145.10146	5.6
147.08104	3.8
149.09630	2.1
149.13205	1.7
151.11150	1.9
153.09108	10.4
159.11711	8.3
161.09615	5.1
161.13280	2.0
163.11157	4.0
165.09013	2.2
177.12802	4.2
181.12244	11.6
185.13261	4.0
187.11171	7.4
202.07700	1.9
203.14368	11.3
205.12262	14.6
221.15344	18.8
227.14343	1.6
245.15399	9.6
263.10822	10.1
263.14279	1.9
263.16431	20.7
263.20279	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01876	0.5
55.05513	55.4
55.61618	0.4
56.05032	0.4
56.94322	0.4
57.98804	0.8
58.99588	38.2
60.04519	0.4
61.01149	1.5
62.04398	0.3
62.04721	0.4
69.03426	0.4
69.07056	3.1
70.06592	1.6
71.04984	0.5
71.51598	0.5
72.08169	1.7
73.01141	2.6
76.04004	5.2
76.50670	0.4
83.08621	39.1
84.04517	0.7
84.08132	2.7
86.09701	1.5
86.99054	29.1
88.02216	8.4
91.05482	0.7
98.97618	0.5
101.09661	1.0
103.05453	0.4
114.05582	0.4
116.01680	92.9
116.07092	0.4
120.08109	2.4
121.06520	0.5
123.08055	0.6
129.10271	0.6
130.04996	0.7
130.06548	0.6
132.08110	0.5
136.07556	0.5
140.07047	1.0
144.01149	41.5
146.07886	0.4
159.08386	0.6
162.02206	100.0
170.06091	0.4
171.06355	1.2
172.04303	0.7
188.07162	0.6
189.07307	1.9
216.06873	1.9
230.07732	0.3
230.13988	3.6
244.06174	0.5
244.09930	0.6
247.12192	0.4
262.11179	2.0
262.14151	0.8
262.16675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	2.0
55.05516	21.3
56.05019	1.7
57.03438	0.9
58.99297	1.0
58.99591	19.8
61.01134	1.4
62.06090	3.2
62.62917	0.5
67.05517	3.5
68.05032	0.5
69.07058	1.6
69.76748	2.0
69.77158	0.8
70.06588	1.9
71.04972	0.8
72.08141	1.8
73.01138	0.8
74.00655	2.2
75.69507	0.5
76.02210	2.1
76.03991	2.0
79.05501	3.0
80.05004	0.7
81.07060	9.8
82.06575	0.6
83.08154	0.8
83.08624	13.7
84.08147	2.6
85.00661	0.6
85.01137	8.1
85.02891	2.0
86.00657	26.3
86.09714	3.7
86.98549	0.8
86.99060	11.8
87.02706	7.0
88.02223	4.9
88.04001	2.5
91.05466	1.0
93.07035	1.4
94.06586	0.7
95.08609	6.1
96.08141	0.6
97.06525	0.6
97.08913	1.1
98.09692	5.8
98.20757	0.7
99.08098	0.9
100.02161	0.7
101.04255	2.5
102.03748	0.7
105.00078	1.6
109.10169	0.6
110.09681	1.7
113.03527	0.9
113.04244	10.5
116.01686	32.3
116.07059	1.9
120.01160	1.0
120.08089	3.9
122.02710	1.0
122.09709	3.2
123.08083	2.7
129.07350	8.9
129.10179	0.6
130.06851	0.6
131.01627	1.4
132.01161	40.5
136.06226	1.3
139.05786	1.4
144.01155	14.8
146.02676	0.8
156.08438	50.1
159.04773	23.2
162.02214	32.0
182.10512	0.5
185.06395	0.9
186.14934	1.9
192.03123	0.7
198.09496	14.7
198.14897	0.6
202.08983	100.0
216.10553	64.8
216.16096	0.7
230.14050	3.1
244.10008	4.5
262.11102	80.4
262.16837	1.6
262.20142	2.3
263.11383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07068	0.8
64.33904	0.2
68.32699	0.2
69.44235	1.0
69.44646	0.8
70.06594	2.1
71.08636	0.6
84.08153	0.4
87.04475	29.0
88.07648	2.5
98.52343	0.2
99.28255	0.2
100.23213	0.3
106.08685	0.5
111.28693	0.3
114.09174	1.2
118.06553	10.5
132.08102	3.9
132.10213	4.2
133.08882	1.7
134.09662	1.0
146.09637	3.1
147.10411	0.4
148.29659	0.3
150.11278	3.5
159.50864	0.2
160.11273	0.4
161.12099	0.4
176.14360	68.8
177.14682	0.4
184.72762	0.3
186.18617	0.2
204.10135	0.3
218.21193	0.7
262.18039	100.0
262.23770	19.9
263.18326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84281	0.3
53.19625	0.3
66.92540	0.2
70.69215	0.8
83.09856	0.3
87.04475	23.7
91.05484	0.3
98.97565	0.4
103.63058	0.3
118.06551	9.6
132.08084	1.7
132.10213	0.4
133.08846	0.9
134.09636	0.4
146.09647	2.1
150.11295	0.4
161.12035	0.5
176.14357	66.4
262.18036	100.0
263.18356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19339	14.6
56.85831	13.9
69.63018	100.0
88.43626	17.0
118.58458	18.0
128.00732	14.5
143.01955	44.6
147.00674	17.8
149.95248	14.4
161.03027	39.7
186.72379	15.2
205.79124	17.3
263.01572	90.1
263.06061	28.5
278.37790	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32957	10.8
51.43417	7.8
53.74070	9.6
62.72145	9.2
71.00444	13.0
84.44557	9.0
95.86227	8.9
101.00878	19.4
143.01913	34.9
161.02998	26.7
173.02942	15.0
203.04034	16.4
263.01678	100.0
263.06036	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76048	0.5
58.99856	0.7
59.75768	0.4
62.88800	0.4
69.63187	2.9
70.99837	1.1
77.00909	1.3
82.99844	2.2
88.08369	0.5
89.00894	2.3
91.44383	0.4
95.38454	0.5
97.01355	0.5
98.20654	0.5
101.00887	11.3
102.71130	0.5
113.00864	0.9
114.82471	0.5
115.02422	1.3
119.01920	8.7
127.02399	2.1
131.01910	1.2
133.03436	0.6
137.02890	0.9
139.02388	3.9
140.84668	0.5
141.00331	0.9
143.01904	6.4
145.03461	4.5
157.03477	11.2
159.01390	1.9
161.02968	10.0
167.01917	1.7
169.03439	0.6
173.03075	0.6
175.04524	1.9
176.46301	0.5
177.91531	0.5
185.02902	4.9
187.04555	0.8
203.03998	6.4
214.00775	0.6
221.05083	9.9
221.07071	0.8
231.87434	0.5
239.06108	6.2
245.05022	0.7
259.49417	0.6
263.06137	100.0
264.06311	0.5
281.07220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.99649	0.3
51.02391	0.3
53.03949	2.1
55.01865	0.5
55.05514	9.3
57.03436	1.2
57.07084	3.3
58.02277	0.3
65.03946	1.0
67.05508	27.7
69.07069	7.5
69.23049	1.5
69.23479	1.5
71.04989	1.9
71.08629	0.9
77.03928	0.7
78.19572	0.3
79.05496	36.6
81.07060	34.1
83.05002	0.9
83.08620	5.1
85.06541	2.6
91.04909	0.8
91.05489	17.6
93.07049	50.9
94.85119	0.3
95.04986	2.7
95.08614	25.6
97.06522	2.3
97.10166	2.3
99.08099	2.7
103.34482	0.3
104.89371	0.3
105.04505	0.9
105.07035	12.8
107.08601	33.7
109.06528	1.5
109.10164	10.4
111.08080	2.1
113.09669	1.2
117.07018	4.0
119.06084	0.3
119.08586	10.7
121.06491	0.4
121.10152	30.4
123.08077	1.3
123.11721	3.8
125.09634	1.0
125.18307	0.3
127.11240	0.5
129.07031	0.7
130.07706	0.4
131.08585	9.9
133.10144	9.9
133.10912	0.2
135.08069	0.7
135.11700	24.8
137.09622	1.5
137.13252	1.1
139.11195	0.8
145.10136	10.5
147.11705	8.1
147.12784	0.2
149.02359	0.7
149.09625	0.6
149.13266	21.2
151.11240	0.9
151.14851	0.5
153.12700	0.4
159.11702	7.7
161.13274	9.8
163.14836	14.9
165.12761	1.4
165.16380	0.4
168.85765	0.3
171.11755	0.4
173.13268	8.5
175.14815	3.1
177.16383	4.4
179.14325	1.3
186.36670	0.4
187.14830	4.9
189.16383	0.6
191.14374	0.3
201.16374	2.2
203.18004	0.5
205.15930	0.9
215.17984	1.4
219.17488	0.4
233.22662	1.3
243.21101	26.6
261.22150	100.0
262.22632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03944	2.1
55.01875	0.7
55.05515	8.9
57.03437	1.1
57.07079	2.8
65.03945	1.3
67.05508	29.5
69.03406	0.4
69.07069	9.8
71.05000	1.8
71.08643	1.4
76.96680	0.3
77.03922	0.8
79.05495	40.5
81.03437	0.4
81.07059	36.8
83.04984	0.6
83.08622	5.3
85.06547	2.8
91.05486	20.9
91.24524	0.3
93.07047	54.0
95.04971	2.3
95.08611	27.8
97.06537	2.2
97.10162	2.1
99.08096	3.2
103.05473	0.4
105.04527	1.1
105.07037	14.4
107.08599	40.0
109.06542	1.3
109.10159	12.0
111.08080	2.4
111.11700	0.5
113.09663	0.9
117.07020	4.4
119.06094	0.4
119.08588	11.3
121.06507	0.6
121.10150	34.4
123.08067	1.2
123.11725	3.9
125.09634	0.9
129.06990	0.6
131.08572	11.0
133.10139	11.0
135.08101	0.6
135.11694	26.6
137.09663	1.4
137.13271	1.4
139.11171	0.7
143.08630	0.3
145.10135	10.6
147.11699	9.9
149.02380	1.0
149.09592	0.9
149.13266	23.9
151.11203	0.9
151.14854	0.7
153.12785	0.6
159.11700	9.3
159.13034	0.5
161.13263	9.2
163.11258	0.6
163.14830	17.5
165.12753	1.1
165.16411	0.4
171.11601	0.4
173.13272	8.6
173.14725	0.6
175.14850	4.1
177.12692	0.4
177.16382	4.3
179.14365	1.4
187.14815	5.4
189.16301	0.7
191.14262	0.6
201.16402	2.5
205.14171	0.8
205.15900	0.7
215.17987	1.3
217.19608	0.5
219.17505	1.0
233.19092	0.4
233.22604	1.2
243.21095	28.1
261.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.81640	0.7
52.41055	0.7
53.03939	2.1
55.05513	8.8
57.07071	2.6
62.54740	0.7
65.03941	1.7
67.05508	27.4
69.07079	8.7
71.05003	1.1
71.08614	1.0
71.52392	1.6
72.18151	0.7
79.05499	33.4
81.07062	33.0
83.04990	0.9
83.08624	5.8
85.06545	3.9
91.05486	19.2
93.07049	51.4
95.04966	2.3
95.08614	25.8
97.06517	2.6
97.10145	2.3
99.08091	2.7
105.07037	13.2
107.08606	29.3
109.06509	1.8
109.10164	10.9
111.08102	2.3
113.09635	1.6
117.07018	5.4
119.08591	8.6
121.10156	32.5
123.08105	0.9
123.11700	4.7
131.08563	9.9
133.10149	10.5
135.11703	22.8
136.20772	0.7
137.09633	1.5
145.10136	10.6
147.11690	10.1
149.02344	1.5
149.13268	20.5
151.11276	0.9
151.14859	1.0
159.11707	7.9
161.13255	8.7
163.14838	17.1
165.12854	0.9
173.13255	7.7
175.14821	2.9
177.12695	0.9
177.16425	5.8
179.14377	0.9
183.17776	0.8
187.14836	6.4
201.16438	2.2
203.18004	1.2
215.17970	1.4
219.17548	0.9
236.45227	0.9
243.18561	1.1
243.21094	30.8
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	0.8
53.03941	2.7
55.01871	1.0
55.05514	11.8
57.03438	1.2
57.07079	5.6
65.03939	1.6
66.04695	0.4
67.05507	36.5
69.03416	0.4
69.07068	11.1
70.63750	0.7
70.64098	0.4
71.04996	1.9
71.08643	2.7
77.03940	1.4
79.05495	59.5
81.03408	0.7
81.07059	39.6
82.30962	0.4
83.04980	1.1
83.08153	0.6
83.08619	6.1
85.06552	2.8
85.10181	1.3
91.05482	26.6
93.07047	74.8
95.04981	3.8
95.08611	30.3
95.09261	0.5
97.06538	3.0
97.10184	2.0
99.08091	4.3
103.05489	0.6
105.04514	1.5
105.07036	16.8
107.04964	0.5
107.08597	45.2
109.06510	1.9
109.10164	11.3
111.08094	2.3
113.09628	2.1
115.05468	0.6
117.07024	7.4
119.06079	0.7
119.08585	14.0
121.06505	0.5
121.10148	33.2
123.08061	1.6
123.11723	3.2
125.09640	0.8
129.07011	0.8
131.08574	17.3
133.10138	10.0
135.08058	1.2
135.11696	26.4
137.09584	0.9
137.13240	1.7
139.11176	0.4
144.09445	0.5
145.10127	13.8
147.11699	9.8
149.02322	0.5
149.09608	1.5
149.13261	21.5
151.11203	0.3
151.14833	1.2
153.12758	1.5
157.10069	0.5
159.11697	10.4
161.13261	8.3
163.11206	1.1
163.14828	13.7
165.12749	1.0
171.11681	0.6
173.13266	9.8
175.14836	3.4
177.12750	0.6
177.16402	5.6
179.14294	0.9
185.13332	0.4
187.14825	6.5
191.14330	0.7
201.16357	2.8
205.15894	1.2
215.17914	1.6
217.19519	1.1
219.17470	1.1
233.22627	2.6
243.21094	27.8
244.21309	0.4
261.22141	100.0
262.22318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03947	1.9
55.01857	0.4
55.05269	0.6
55.05515	7.6
57.03439	0.9
57.07085	2.9
65.03943	1.4
67.05508	28.2
67.67069	0.3
68.72881	0.3
69.07072	8.3
71.05003	1.7
71.08636	0.9
73.82668	0.3
77.03932	0.7
79.05498	37.4
81.07061	33.9
83.05000	0.8
83.08623	5.9
85.06549	2.6
85.10218	0.3
85.77097	0.3
91.05485	20.2
93.07050	49.9
95.04966	2.2
95.08613	26.9
97.06537	2.3
97.10185	2.3
99.08105	3.1
101.28677	0.4
105.04524	1.3
105.06332	0.4
105.07040	13.4
107.08602	33.0
109.06541	1.1
109.10165	9.7
111.08088	2.5
113.09586	0.7
117.07024	5.3
119.08590	10.4
121.10152	30.9
123.08057	1.1
123.11729	3.8
125.09627	0.7
130.07861	0.4
131.08582	10.4
133.10144	10.8
135.08080	0.5
135.11700	25.2
137.09625	1.1
137.13226	0.9
139.11227	0.6
145.10127	10.7
147.11700	8.7
149.09625	0.6
149.13266	21.9
151.11118	0.5
151.14812	0.8
153.12755	0.8
159.11702	7.0
161.13271	9.0
163.11197	0.5
163.14835	17.0
165.12747	1.1
165.16360	0.4
173.13275	8.1
175.14813	3.7
177.12773	0.4
177.16408	4.9
179.14331	1.2
185.13177	0.4
187.14836	6.0
189.16393	0.6
201.16408	2.6
205.15947	0.9
215.17972	1.5
217.19615	0.6
219.17436	0.6
233.22681	0.9
243.21100	28.2
261.22150	100.0
262.22397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03936	1.8
55.01878	0.6
55.05513	9.4
57.03437	1.1
57.07085	2.5
62.35137	0.3
65.03943	1.4
67.05507	28.3
69.07071	8.8
69.82533	1.6
71.05004	1.5
71.08624	0.8
77.03925	0.7
79.05494	39.9
81.07058	35.5
83.04986	1.1
83.08622	5.7
85.06554	2.8
85.10184	0.4
91.05484	19.7
93.07047	53.9
95.04993	1.8
95.08611	26.5
97.06538	2.4
97.10172	1.8
99.08100	3.0
103.05521	0.4
105.04531	0.9
105.07035	14.4
107.05005	0.4
107.08598	36.3
109.06527	1.3
109.10161	11.1
111.08091	2.2
111.11707	0.5
113.09683	0.8
117.07018	5.7
119.06084	0.4
119.08586	12.7
121.10148	34.9
123.08083	1.0
123.11729	3.6
125.09592	0.9
129.07014	0.6
131.08569	11.2
133.09126	0.5
133.10130	9.4
135.11699	25.9
137.09636	1.1
137.13280	1.3
139.11217	0.8
143.08525	0.6
145.10132	10.5
147.11693	9.3
149.02298	0.6
149.09665	0.5
149.13264	21.9
151.11203	0.6
151.14850	0.7
153.12776	0.5
156.43057	0.3
157.10031	0.4
159.11694	8.1
161.13255	9.7
163.11169	0.6
163.14822	15.8
165.12741	1.2
173.13278	8.5
175.14813	3.2
177.12776	0.6
177.16406	4.7
179.14342	1.3
187.14819	5.5
189.16470	0.7
191.14305	0.4
201.16405	2.5
203.17943	0.3
205.15858	0.7
215.17931	1.7
217.19566	0.5
219.17509	0.7
233.22655	1.0
243.21092	28.8
261.22141	100.0
262.22501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17971	0.6
55.05519	2.7
69.03433	0.8
69.91254	1.1
69.91654	2.0
70.06601	4.3
70.06945	0.6
72.08158	11.8
74.02444	8.9
79.05492	0.7
81.07043	1.1
83.08636	0.8
84.04465	0.8
84.08155	1.6
85.02892	2.9
86.09691	3.6
91.05479	0.8
93.07063	0.9
95.04996	2.8
95.08634	0.7
96.71374	0.6
98.06113	0.8
103.05465	0.7
105.07069	0.9
114.78020	0.6
115.05470	4.5
116.01659	1.2
118.06525	3.9
120.08089	4.3
123.08076	6.4
128.06226	0.7
129.10269	0.7
130.06522	1.9
131.08563	0.8
134.06027	0.7
136.07603	1.4
141.01796	0.6
142.06529	19.3
143.08551	0.8
144.01202	0.7
144.08080	1.7
145.07613	27.1
146.06024	0.7
149.02301	1.5
156.09303	1.5
158.06046	1.3
160.07605	1.8
162.02234	1.6
170.06017	99.6
171.11693	1.1
173.13182	0.6
175.07523	0.8
175.11885	1.5
188.07071	100.0
199.11171	4.3
200.06990	0.7
205.05124	0.6
215.03410	1.5
215.10612	0.7
217.09731	2.3
217.12222	1.5
219.14864	0.8
261.03885	1.1
261.08621	1.3
261.11316	1.5
261.15073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	Glu Leu
Peak:m/z	Relative Intensity
55.54940	0.7
55.99850	0.7
56.05038	8.3
56.96552	1.9
67.05502	0.9
69.07066	1.6
69.78082	3.3
72.08160	1.4
75.05588	0.7
75.75813	0.6
75.85001	0.7
84.04508	100.0
84.08157	4.2
85.02918	4.6
85.08460	1.7
86.09711	96.8
87.10047	2.2
98.21495	1.4
98.97603	2.4
102.05547	17.8
110.97616	0.8
113.07147	0.8
116.98626	1.1
128.98651	1.1
129.06598	6.6
132.10213	51.3
141.06642	3.9
143.00296	1.0
143.11853	1.8
144.12163	3.5
147.26082	0.8
149.02415	1.1
152.10785	0.8
155.18053	0.8
158.99622	1.0
160.08830	2.6
165.76537	0.7
172.11656	1.0
197.12866	57.3
208.10909	0.7
216.12558	0.9
219.01872	1.1
225.12367	6.4
233.04665	1.5
236.85402	0.9
243.13414	63.6
261.05063	0.9
261.10013	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	261.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.7
55.05508	15.1
57.03439	31.0
57.07073	4.6
59.04997	1.7
60.45856	1.1
65.03938	3.6
67.05508	75.2
69.03420	4.9
69.07066	14.2
70.06567	1.8
71.04996	100.0
71.51546	1.3
72.08155	3.2
73.02911	1.3
73.06560	1.4
79.05492	24.2
81.03432	1.6
81.07058	86.2
83.04996	7.0
83.08599	2.7
84.04525	2.0
84.08150	3.7
84.87860	1.2
85.02902	20.4
85.06548	69.9
86.00654	2.1
86.09711	29.0
87.04477	3.5
87.82063	1.3
91.05487	42.2
93.07048	19.5
95.01345	1.8
95.04984	4.9
95.08613	12.1
97.02890	1.3
97.06543	8.9
97.10165	1.7
98.09693	1.6
103.03950	4.6
103.05470	2.9
105.00169	1.6
105.07034	30.6
107.08591	29.3
109.06522	10.7
109.10161	41.2
113.02393	1.5
115.03997	1.3
119.08617	1.3
120.08106	48.3
121.10164	3.7
123.08080	2.5
123.11714	10.2
127.03957	2.6
127.07564	2.2
129.05467	5.3
129.10249	2.1
130.06551	1.4
131.08591	3.2
133.10132	62.0
139.11166	4.6
141.01865	4.7
145.10152	1.7
149.02370	4.9
149.19312	1.2
151.11191	64.8
153.12743	1.7
156.08400	2.8
158.99742	1.4
160.76703	1.2
169.12247	62.6
201.05681	1.4
201.09201	1.8
202.09006	4.3
215.14264	1.4
216.10555	3.2
216.88705	1.3
226.15303	2.0
233.16525	5.2
243.15929	83.1
261.11868	1.7
261.14621	2.1
261.17020	9.7
262.11090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05030	0.8
56.96588	0.7
58.06610	0.6
65.03942	1.2
67.05498	0.6
69.03454	1.3
69.07059	0.8
69.38018	4.0
70.06592	4.2
72.08160	2.4
74.02446	8.3
74.06078	3.9
79.05496	1.1
81.03410	0.7
81.07066	1.0
84.04530	4.1
84.08150	6.6
85.02909	8.8
85.06560	0.8
86.09711	14.0
88.03991	0.9
91.05486	1.4
93.07047	1.1
95.01327	0.9
95.04981	0.9
95.08609	0.9
96.04550	0.6
97.02897	1.1
97.06523	0.8
98.09701	1.1
98.97584	1.7
98.98516	1.0
102.05552	12.7
103.05470	0.9
105.07034	1.0
109.02861	0.7
110.07157	1.1
113.96402	0.5
115.05460	5.5
118.06537	4.2
119.04950	0.7
120.08120	1.7
123.08073	1.3
124.07539	0.6
127.03906	1.3
129.10246	2.1
130.06509	4.4
130.08681	1.5
131.04985	0.6
132.04501	0.8
132.10229	8.9
136.07591	1.4
140.04785	0.6
141.01842	2.5
141.06784	1.1
141.97165	0.6
142.06537	19.7
142.07651	1.2
144.08075	2.2
145.06577	1.0
145.07617	26.4
146.06061	0.8
147.04405	0.9
149.02362	3.7
154.06410	0.6
155.11765	0.8
157.07687	0.9
158.06033	2.6
160.07608	1.9
170.06023	93.7
173.05916	1.0
187.03931	1.6
188.07080	100.0
199.11125	0.6
200.07191	1.0
201.12439	1.8
215.03394	6.1
215.13892	2.6
217.09782	3.2
233.09731	0.6
238.14911	1.7
243.11342	0.8
243.13501	0.8
260.65900	0.6
261.03870	1.4
261.07385	0.9
261.09186	0.8
261.12097	0.8
261.14789	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	260.1973
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.01870	1.1
55.05512	1.1
56.05040	2.5
56.96569	16.7
57.03443	1.8
60.95844	1.1
61.02939	1.1
67.05511	1.1
69.03442	0.7
70.14224	1.2
70.14616	0.8
70.98129	5.7
70.99858	0.6
71.95262	1.5
71.99952	0.8
72.08157	12.2
72.96043	0.8
73.02904	0.7
84.04533	0.7
84.08149	100.0
84.96044	1.0
85.02905	1.4
85.06535	0.6
86.09714	9.7
88.99162	1.8
98.97591	58.8
99.97914	3.4
101.00891	2.8
101.10803	2.9
102.00931	3.0
102.09175	0.7
102.96884	1.7
110.97570	2.2
112.07617	0.6
112.99149	0.6
113.00912	0.6
113.03485	3.5
115.00717	0.5
115.02441	0.7
115.03889	0.5
116.98629	16.5
116.99462	0.9
117.98983	1.2
119.01926	2.2
120.02000	3.4
120.97911	0.7
124.00713	0.6
124.95489	0.5
124.99200	0.6
128.98604	4.6
129.10245	14.4
130.05055	0.6
130.08653	5.1
130.93297	0.7
131.00165	1.0
131.01912	0.6
132.02028	1.6
132.10214	1.2
133.01718	0.6
133.03441	0.7
133.04994	1.1
134.03622	2.0
134.99673	3.3
139.97166	0.6
140.00089	0.5
140.98607	1.9
142.01764	0.9
142.05403	0.7
143.00261	1.1
143.11795	8.5
144.02061	0.7
145.03453	0.6
146.03667	0.6
146.99631	3.2
147.03114	0.7
147.07643	0.8
147.11290	9.4
152.04674	0.6
153.01106	0.5
157.99950	0.7
158.04883	1.2
158.99667	5.4
160.00070	1.2
161.01207	0.9
161.02953	0.7
162.03145	0.9
165.00752	1.2
168.99194	0.7
170.04887	1.2
170.99805	0.8
171.11327	4.7
172.01523	1.1
172.94427	0.6
172.97575	0.8
174.03171	0.6
174.99266	1.1
175.00859	1.1
176.01022	2.6
177.00720	9.5
187.00320	1.0
188.01100	0.8
188.05972	1.6
189.00700	1.9
189.99442	0.5
190.02559	1.6
190.98653	1.0
191.02319	1.0
194.02171	1.0
195.01892	1.7
197.16560	1.0
200.02339	1.5
200.04358	0.6
205.00085	1.1
206.07054	3.1
207.01747	0.6
209.02765	0.9
217.00250	0.7
217.02081	0.8
218.00523	0.8
218.02107	4.5
219.01793	6.9
219.05223	0.7
220.08578	0.6
224.08110	2.5
235.01245	0.6
236.03253	1.3
236.98866	0.8
237.02783	3.6
237.06255	0.6
238.09486	0.7
240.37378	0.6
241.98813	0.5
242.18764	1.0
243.17061	9.2
257.00717	0.6
259.99951	12.8
260.04227	0.9
260.08261	0.6
260.19720	27.7
260.99661	0.9
261.02975	1.8
277.97739	1.3
278.01004	10.4
278.04190	1.8
278.09183	2.6
278.96732	1.4
279.00681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.8969
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89164	1.7
71.42673	3.0
78.93548	4.4
94.93018	100.0
109.91694	1.8
216.90593	2.1
242.88635	6.3
260.89651	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	261.0309
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
53.43007	0.1
56.96568	1.5
71.51068	0.2
71.95270	0.3
74.97609	0.2
77.46136	0.1
81.74849	0.1
82.99825	0.8
84.38698	0.1
84.96026	0.3
98.97591	12.7
99.97958	0.3
100.97173	0.4
100.97957	0.3
101.00888	4.7
102.00955	0.2
102.96866	0.8
110.97572	0.6
112.99125	0.4
116.98627	4.9
119.01932	5.0
120.02002	0.3
120.97906	0.3
122.97701	0.1
124.99120	0.2
127.00782	0.2
128.98621	0.4
131.64958	0.1
134.99667	1.0
136.99158	0.1
137.02959	0.3
140.98772	1.4
143.00197	0.4
143.01952	0.2
149.02309	0.1
149.04778	0.1
152.98640	0.2
155.00099	0.2
158.99855	3.5
161.02995	0.4
165.99637	0.2
170.99648	0.3
173.01283	0.4
175.03017	0.2
177.00957	10.1
181.02005	0.2
182.99825	1.3
189.00685	0.3
191.02318	0.4
199.03020	0.3
201.00922	4.2
202.00943	0.2
203.03967	0.2
217.04085	2.3
219.02011	16.4
219.97707	0.2
220.02197	0.3
225.00845	2.6
225.02798	0.2
231.01781	0.2
236.98781	0.2
237.02908	0.2
237.98746	1.4
243.02010	14.6
244.02350	0.2
260.99893	3.9
261.03064	100.0
262.03214	1.4
263.03455	0.5
266.03595	0.2
271.49680	0.2
275.04520	0.2
278.96896	0.8
279.00629	4.1
284.01498	0.2
284.04663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.45195	0.6
50.93870	0.7
56.05044	4.5
56.96572	2.6
57.12671	0.6
69.07072	2.3
69.78522	3.4
70.04585	0.6
70.06601	1.3
70.98109	0.8
72.08151	2.9
74.02445	2.9
83.06112	32.2
83.06618	1.5
84.04513	44.7
84.08151	23.2
85.02902	1.4
85.04850	1.4
85.06555	0.8
86.09713	100.0
90.06683	0.7
98.97614	3.3
101.07174	3.7
110.97588	0.8
113.07199	0.7
116.98652	0.6
129.06607	3.8
129.10245	4.1
130.05025	1.7
130.08644	3.4
131.05403	0.9
131.09007	1.8
132.10205	15.4
140.03448	2.0
140.07048	0.7
141.06607	1.3
143.11845	2.0
143.12987	0.6
144.06609	0.9
146.88380	0.7
147.11256	3.7
155.09615	0.7
157.13374	35.3
158.99686	1.0
171.11273	1.1
177.00700	1.6
185.12869	14.3
185.48471	0.7
189.12395	3.0
196.14508	5.0
197.10167	1.1
197.12868	17.2
197.36469	0.7
213.33484	0.7
218.00499	0.7
219.01891	1.2
225.12460	2.0
237.03003	1.1
242.15019	39.4
243.13434	23.0
243.17215	1.7
260.13498	1.5
260.16235	2.2
260.19720	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	260.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	27.6
63.65406	2.7
70.41432	9.4
78.60022	3.0
79.99030	4.6
84.08154	8.9
84.96023	6.7
86.09714	3.6
97.02901	4.2
98.21479	3.4
98.97598	53.5
101.00879	14.3
102.97134	3.2
103.00653	10.7
104.10751	9.7
105.02206	4.1
110.97572	7.2
116.98643	19.3
119.01926	37.9
121.01683	33.4
124.99182	6.3
128.98613	3.2
129.02164	5.2
131.00209	3.5
131.01904	9.0
134.99657	6.3
139.02696	6.4
140.98634	4.7
143.00200	16.7
143.01901	14.2
145.03465	11.2
146.99623	3.6
147.03191	31.9
149.01218	4.3
158.99673	7.6
159.99562	4.9
160.99525	3.9
161.01248	9.6
161.02995	15.5
161.51877	3.7
161.97682	3.1
162.06134	8.7
165.04311	12.6
171.01357	4.9
173.02946	5.6
177.00761	10.1
177.02486	9.6
180.96672	3.9
182.98122	3.7
183.24387	4.2
184.04547	6.1
189.02417	6.6
189.97130	12.4
190.47269	4.5
190.98665	3.7
191.02179	16.3
194.99913	8.1
195.01698	3.6
195.50067	5.5
196.97969	3.9
197.51488	3.9
198.97697	10.7
199.04564	4.2
200.91153	3.6
204.00375	18.2
204.50400	8.8
205.00394	3.2
207.01929	4.1
209.03351	8.0
210.97627	7.0
211.03532	3.8
211.53188	3.1
213.99094	4.2
214.05663	4.0
215.51132	4.7
217.00554	4.4
218.01901	5.0
219.01717	29.7
219.03304	2.7
219.98163	13.1
220.03413	4.0
225.01038	16.9
225.51132	6.3
236.98787	6.7
237.02809	100.0
239.02501	6.8
245.97974	5.7
247.97527	5.1
254.98508	4.0
255.03902	63.2
260.19620	5.7
268.98337	4.0
269.01804	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03944	3.4
55.01876	12.1
55.05516	17.9
57.03444	2.4
57.07090	7.5
65.03945	8.0
67.05511	32.0
68.90238	1.7
69.03425	5.7
69.07074	14.8
71.04986	7.0
71.52631	2.1
71.53345	1.6
72.08178	2.0
77.03915	1.8
79.05496	22.3
81.03419	1.9
81.07065	26.8
82.23831	1.4
83.04975	6.8
83.08602	5.2
83.27451	1.7
85.06541	6.1
86.09647	1.7
90.09191	1.8
91.05489	43.2
93.03414	29.6
93.07053	23.8
95.04975	4.9
95.08619	27.3
97.02895	2.3
97.06538	15.9
97.10133	2.0
105.03400	3.2
105.07037	32.3
107.05002	2.9
107.08617	13.1
109.10181	14.7
115.05511	3.5
116.06206	1.6
117.07018	18.4
119.08584	25.0
121.05667	3.2
121.06516	44.0
121.10103	8.3
123.08072	3.0
123.11660	1.9
128.06207	6.6
129.07004	15.5
130.07803	5.7
131.08575	33.5
133.10129	20.5
135.04448	2.6
135.08130	3.9
135.11674	3.3
137.09631	1.8
142.07799	3.6
143.08589	20.2
144.09361	3.1
145.10146	25.1
147.08025	3.3
147.11705	10.6
149.09639	3.7
149.13348	3.4
156.09328	2.0
157.10156	14.6
159.11705	17.4
161.02348	2.7
161.06012	1.9
161.09729	3.6
161.13278	5.5
163.03981	7.5
163.11186	3.2
171.11696	15.9
173.02414	2.9
173.13300	9.2
175.11217	3.7
175.14862	5.9
185.13287	15.9
186.09326	1.9
187.14810	1.6
189.12704	3.2
189.16429	2.0
199.14857	6.7
201.16412	10.1
203.14272	3.6
211.77255	1.8
213.16400	3.3
215.07074	3.6
215.17943	2.5
217.16081	2.0
229.10156	1.8
241.19557	13.6
259.09607	3.7
259.17123	4.5
259.20593	100.0
259.28085	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.90258	2.0
54.54389	3.0
55.01877	3.5
55.05511	12.7
57.07085	2.4
58.68687	2.1
67.05499	10.0
69.07070	43.8
69.47227	16.6
71.05002	40.0
79.05481	9.5
81.07059	21.1
83.04977	7.5
83.08622	10.5
85.06544	23.9
91.01393	2.5
91.05490	14.6
92.44759	2.1
93.07061	20.0
93.45689	2.1
95.04971	3.4
95.08624	24.9
95.90309	2.4
97.06528	7.5
105.07052	33.2
107.08609	30.1
109.06506	13.9
109.10155	17.3
109.86673	2.4
111.08089	24.9
117.07003	9.7
119.08591	74.6
121.10135	16.2
123.11713	31.1
129.07036	3.5
130.07780	3.6
131.08542	19.3
133.10139	48.6
135.08070	24.1
135.11664	7.2
137.09631	6.1
139.91135	2.5
141.77692	3.0
143.08568	7.0
144.09302	5.4
145.10135	43.1
147.11694	25.9
151.11156	3.0
156.09349	5.1
157.10164	12.5
159.11711	40.9
160.12473	4.3
161.13266	51.6
163.11165	3.4
171.11722	23.2
173.13257	12.0
175.11172	6.3
175.14839	100.0
176.15610	6.2
177.12758	4.7
177.16373	3.2
178.22610	2.1
185.13266	18.7
189.12724	6.1
189.16389	8.3
196.82693	2.5
199.14828	6.7
201.16389	28.3
203.14328	9.1
215.18056	3.4
217.19635	3.0
241.19577	15.1
259.20584	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	259.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46082	2.0
55.05511	12.5
57.07067	2.5
67.05513	10.9
69.07071	32.1
71.04993	28.1
71.89278	1.6
75.95905	2.0
79.05489	6.6
81.07059	20.4
83.04977	6.6
83.08623	9.9
83.82891	1.6
83.86047	1.6
85.06548	22.4
87.50936	1.6
91.05492	12.4
93.07056	15.0
95.04945	3.6
95.08612	20.6
97.06519	6.8
98.74081	1.7
105.03389	2.8
105.07042	28.2
107.08601	23.5
109.06525	14.3
109.10178	16.7
111.08112	15.0
117.07016	8.7
119.08587	64.1
121.10146	13.5
123.08023	3.2
123.11716	26.2
129.01833	3.9
129.06990	4.6
130.07776	2.5
130.08649	2.0
131.08582	14.3
133.10133	37.3
135.08047	21.7
135.11687	5.5
137.09633	4.4
142.07787	2.8
143.08578	8.5
145.10143	33.9
147.08080	2.1
147.11682	18.4
149.09602	4.4
149.13243	2.2
151.11171	3.3
156.09308	2.6
157.10136	11.8
159.11687	32.1
160.12448	2.4
161.09612	2.6
161.12018	2.8
161.13269	41.2
163.11182	4.5
167.02138	2.1
171.11691	15.7
173.13301	9.5
175.11223	2.9
175.14830	100.0
176.15619	4.5
177.12729	5.4
177.16377	2.8
185.13245	17.8
189.12764	6.0
189.16418	7.6
190.13531	4.3
191.14365	3.0
195.56969	2.0
198.13905	2.0
199.14812	6.8
201.16417	27.5
203.14291	10.6
215.17967	4.9
217.19354	2.9
241.19522	17.6
259.11404	3.0
259.20584	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
56.96571	2.9
57.03433	1.3
58.99857	1.7
61.02924	1.6
68.98283	0.8
69.03416	2.3
70.06582	0.8
70.99871	3.7
71.50397	0.7
71.50787	1.1
73.01424	2.0
73.02908	2.8
77.00874	1.0
79.97572	0.5
81.03429	1.1
82.99831	5.8
84.08148	1.0
85.01411	1.4
85.02895	4.1
86.99303	1.5
89.00890	1.8
91.02469	1.9
97.01363	1.1
97.02895	3.4
98.97594	5.7
101.00888	60.0
103.02449	2.3
110.97589	1.2
113.00877	19.5
115.02434	8.9
116.98637	2.3
117.04027	1.2
119.01928	100.0
120.01997	1.0
121.01648	0.7
121.03490	0.8
126.98792	2.5
127.02423	4.7
127.03928	1.0
128.98663	1.2
129.00340	1.0
129.03976	1.7
130.08553	0.6
131.01918	44.8
132.02031	1.0
133.01672	0.9
133.03477	18.8
133.99786	0.6
134.03627	0.9
135.05066	0.6
137.02959	16.1
139.02467	0.9
139.99768	1.9
141.00368	1.0
141.01407	0.8
142.03500	1.9
143.01904	21.9
144.99855	6.2
145.01692	1.3
145.03467	24.1
145.04718	1.2
145.99797	0.7
146.03519	0.8
146.99612	0.6
147.01381	1.6
147.03084	0.8
147.05074	1.3
149.00266	0.9
149.02972	9.8
151.04524	3.6
152.05867	0.6
153.01404	1.2
155.01910	2.6
156.03635	0.7
156.99858	1.8
157.03464	4.0
158.99829	1.2
159.01414	4.0
159.05031	1.1
160.02223	0.8
160.04738	0.8
161.02966	36.7
162.03603	1.2
163.04559	5.2
167.02054	0.7
167.03944	0.9
168.99867	2.1
169.05354	1.0
171.01379	3.8
172.99327	0.8
173.02985	14.4
173.06592	1.2
173.99332	0.8
175.00896	9.8
177.00764	1.5
177.02466	6.5
178.03366	0.7
179.04124	1.4
181.00000	1.1
183.76648	0.6
184.04544	1.0
185.02934	1.3
186.99329	1.1
187.00887	11.2
187.04475	1.4
187.08148	2.3
189.02461	10.7
191.02357	1.2
191.03986	7.8
193.01961	3.2
194.99783	1.2
196.99333	1.1
197.02985	0.6
199.00887	10.8
199.02557	1.1
200.04387	1.1
201.00780	0.7
201.02464	1.2
203.04063	2.3
204.00267	1.4
205.01958	4.4
207.03564	2.3
211.08174	0.9
215.00363	4.9
215.03966	1.3
215.07655	1.7
217.01950	44.5
218.02177	0.9
219.03505	2.3
220.04268	0.7
227.00356	3.9
229.01987	3.0
231.03548	1.6
231.07118	1.2
233.01439	2.6
235.03006	24.3
236.03482	0.8
240.03519	1.0
241.01900	1.5
245.01454	6.9
245.05138	0.8
247.03030	6.2
253.04160	0.8
258.99966	1.6
259.02844	10.8
259.10324	1.5
263.02441	1.0
265.04132	2.3
277.01096	1.6
277.04050	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
56.05016	1.3
56.96568	63.6
57.03430	1.5
60.95862	1.2
61.02933	1.7
65.87756	0.9
67.04263	1.3
69.03432	2.2
69.07065	3.4
69.82603	3.3
70.06587	3.1
70.98126	46.7
71.95283	2.3
72.08163	2.5
73.02924	2.5
74.00656	5.3
74.97613	1.9
81.03400	0.9
82.99841	1.1
84.04511	7.1
84.08148	25.6
85.02911	5.6
85.08462	1.8
86.03252	1.4
86.09707	28.6
86.95218	0.8
88.85199	0.8
88.99164	9.4
92.91255	0.8
97.02894	3.7
97.99200	1.1
98.21532	1.1
98.97591	34.0
100.02206	75.1
100.99143	5.2
101.00895	6.4
102.05553	3.5
110.97575	29.7
112.07584	1.2
112.95486	1.2
112.99155	4.4
115.00721	3.3
115.02444	1.6
116.98643	11.0
118.03242	3.8
118.45427	0.9
119.00201	1.9
119.01897	8.5
124.03960	1.3
124.99119	14.1
127.02448	1.0
128.02315	1.3
128.04294	1.0
128.98616	12.3
129.10257	8.8
130.05006	0.9
130.08652	7.8
130.10574	2.1
130.96477	0.9
131.00192	2.3
131.01944	2.3
133.03474	4.0
134.99684	3.1
138.97064	5.3
140.98592	47.8
141.06606	1.3
143.00183	25.0
143.01901	1.2
145.01717	2.0
146.02715	83.4
146.99670	4.1
147.11285	5.1
155.00143	1.8
155.04756	1.3
156.98106	9.4
157.13387	10.1
158.99663	100.0
159.07726	1.5
161.01244	14.8
161.02890	1.9
163.03947	1.9
170.99696	5.1
171.01447	3.0
172.97498	1.0
173.01233	9.1
173.02652	1.2
174.99164	6.2
175.00919	5.7
177.00728	61.4
178.04944	1.4
179.02290	1.9
182.01190	1.6
187.07133	1.1
189.00729	8.1
189.02472	5.6
191.02280	9.4
191.03955	2.2
195.01749	5.3
198.99144	7.9
199.02222	1.5
200.02394	1.0
200.04326	1.2
207.01746	2.7
208.99803	1.6
209.03363	1.7
213.00728	0.9
213.06950	17.4
217.00204	79.7
217.01961	7.8
227.00276	1.3
232.99828	1.0
234.00130	1.1
235.01239	77.8
240.01746	1.7
241.03192	1.4
246.47797	1.2
250.06619	1.0
253.02370	1.8
258.02884	1.5
258.14490	1.0
258.99805	5.3
259.04272	11.2
259.07501	30.8
259.13550	2.6
277.00903	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	259.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
56.96550	3.7
57.03439	1.2
58.99871	2.0
60.99622	0.7
61.02920	1.6
61.91723	0.5
63.73346	0.5
65.11756	0.8
68.20622	0.6
68.98306	1.4
69.03423	1.8
70.98110	0.9
70.99875	3.2
71.51485	1.1
71.95342	0.6
73.01420	1.3
73.02916	2.2
77.00910	1.1
81.03391	1.0
82.99825	6.2
84.04525	1.1
84.08125	0.9
85.01407	1.2
85.02909	5.2
86.99327	1.5
89.00921	1.5
91.02452	1.4
94.99796	0.8
96.01604	0.9
97.01376	1.3
97.02913	3.4
97.03455	0.6
98.97589	5.8
101.00888	60.4
102.00911	0.8
103.02435	2.3
105.00343	0.6
110.01356	0.7
110.97589	1.0
113.00877	19.1
115.02433	8.4
116.02532	0.7
116.98638	1.5
117.01978	0.6
119.01927	100.0
121.01668	1.5
124.02437	0.9
126.98791	3.6
127.02444	4.2
127.03895	1.5
129.03987	1.9
131.01917	46.3
132.00882	1.5
132.01895	0.8
133.03473	20.0
137.02971	13.7
139.99716	1.0
141.00391	1.3
142.03525	1.8
143.01910	21.6
144.99844	5.9
145.03473	22.8
145.99744	0.7
147.01418	1.8
147.03108	1.3
147.05020	1.7
148.02228	0.7
149.00226	0.8
149.02977	9.1
151.04558	3.8
155.01942	3.2
156.03569	1.2
156.99907	1.3
157.03505	3.1
158.99660	1.7
159.01395	4.6
159.05042	0.9
161.02971	39.8
163.04550	4.9
165.01410	0.8
167.03963	1.3
168.05093	0.8
168.99844	2.0
169.05312	1.7
171.00084	0.7
171.01399	4.1
172.99397	1.1
173.02960	14.4
173.06627	1.2
175.00929	10.9
175.02515	1.2
177.00740	1.8
177.02483	6.9
178.05876	1.2
179.04005	1.7
180.99838	0.9
184.04597	0.7
185.02928	1.6
187.00920	11.6
187.02634	1.2
187.04524	2.4
187.08205	2.0
189.02454	11.6
191.03964	5.1
193.01993	2.7
195.01588	0.7
196.99330	0.9
197.02986	0.8
199.00908	9.9
199.02597	1.8
200.04280	0.8
201.02490	1.4
203.04001	2.2
204.02930	1.1
205.01913	3.5
207.03549	1.9
212.98586	0.8
213.02431	0.9
215.00380	5.8
215.04018	1.7
215.07675	1.7
217.01949	40.6
218.02094	0.7
219.03598	1.5
221.05164	0.8
227.00336	3.2
227.54228	0.7
229.01958	1.8
231.03531	1.6
233.01424	2.1
235.00746	1.6
235.03009	26.0
235.06622	1.4
236.03268	1.1
240.03473	1.5
241.01926	1.6
245.01421	6.8
245.05220	0.8
247.02992	6.5
259.00082	0.9
259.02783	9.7
259.10388	1.4
263.02637	1.4
265.04022	1.2
277.01199	1.6
277.04059	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	258.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11423	1.2
54.18949	1.3
55.01862	5.0
55.05506	2.9
56.05019	2.7
56.96568	51.0
57.03439	11.7
59.44718	1.3
61.02924	13.9
69.03434	19.2
69.07059	2.3
70.05299	4.9
70.06603	7.9
70.98126	15.0
71.04984	1.4
71.95256	1.7
72.08165	3.3
73.02917	12.2
73.06553	1.7
74.00246	1.8
81.03409	9.1
83.00814	3.0
83.01300	1.3
83.06126	1.3
84.04510	20.8
84.08148	79.1
84.96019	2.7
85.02911	38.2
86.09703	7.3
87.04453	3.1
88.99162	3.8
91.03960	2.8
97.02898	19.4
98.21518	1.8
98.97588	67.9
99.04472	2.7
99.97927	5.3
100.02211	9.2
100.99139	6.4
101.00856	6.5
101.10777	3.6
102.01614	1.3
104.01299	2.4
104.10756	18.9
109.02866	5.3
110.01238	6.7
110.07169	2.1
110.97581	23.4
111.09229	1.4
112.05078	1.8
112.99109	3.1
114.04084	1.5
115.00648	2.1
115.03941	2.6
116.07089	1.2
116.98633	17.2
117.01891	6.3
117.98982	2.1
118.01015	2.5
119.00189	2.1
119.01834	20.6
124.99113	6.8
124.99979	3.2
126.06625	1.8
126.97076	3.9
127.01542	2.2
127.03913	13.3
128.02335	10.7
128.98613	17.9
129.02165	1.4
129.10245	100.0
130.04996	4.4
131.00111	1.5
131.01834	3.5
132.00752	7.6
133.01596	1.6
133.03506	1.6
133.39030	1.4
134.99672	3.9
135.01198	1.7
135.04451	2.3
139.01512	2.8
140.00284	1.3
140.02327	2.7
140.98589	8.8
143.00172	13.1
143.01860	3.1
143.03651	1.5
144.98091	4.8
145.01602	5.3
145.03450	5.2
145.04962	4.6
146.02715	9.4
146.03711	1.6
146.99699	9.5
147.01291	2.3
147.03218	4.0
148.02058	3.6
149.03011	1.5
149.04498	1.9
152.00494	1.4
152.02348	2.0
154.02032	5.4
154.06964	1.3
154.96526	2.6
155.02834	3.4
155.04662	16.7
155.54893	1.4
156.98050	6.5
158.99669	23.6
159.03087	1.4
161.01341	6.1
161.02872	5.8
162.99127	1.6
163.02708	2.5
163.03935	8.3
164.05176	4.4
165.00769	2.6
167.56973	2.6
168.01823	6.7
168.03432	3.2
168.05450	5.2
170.03369	1.8
170.99651	8.5
172.97588	9.5
173.01242	2.7
174.99167	19.1
175.00888	3.9
175.02647	1.9
175.99805	1.3
176.07353	1.8
176.57527	6.3
177.00722	13.0
177.02336	16.9
177.04146	4.9
177.05962	4.4
177.07411	2.7
182.03345	5.5
186.02850	1.6
189.00702	5.0
189.02328	3.0
190.98616	13.5
191.02254	4.2
191.03909	13.8
191.54085	1.6
193.00218	11.6
195.11201	3.2
197.02077	5.3
197.52231	3.1
198.02562	5.1
200.04451	14.4
200.54520	2.6
201.00726	4.0
205.00264	2.8
206.02594	3.5
207.03368	1.9
208.99706	9.3
209.05013	3.0
213.03320	5.7
213.07033	2.6
213.56154	1.4
214.98663	3.7
217.00206	13.5
217.02023	5.5
218.06319	1.4
219.01756	7.4
219.05231	3.8
226.02074	2.8
227.09163	1.6
232.99677	14.3
234.00230	1.7
234.59656	1.7
235.01213	17.1
237.02814	5.4
240.13374	3.1
249.06297	3.2
251.00706	6.1
257.96976	2.2
258.04807	3.6
258.11172	4.2
258.14511	7.9
258.17938	2.0
259.04233	2.8
259.07391	1.8
263.00696	3.7
275.97827	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	257.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05501	6.3
57.07048	1.6
59.03871	1.5
67.05508	16.6
68.87597	1.2
69.07050	4.3
70.46706	4.9
71.04974	3.6
79.05496	9.7
81.07069	11.6
83.08600	2.0
85.06543	2.7
91.05489	17.4
93.07051	16.5
95.04970	4.7
95.08620	10.3
103.05501	1.8
105.07035	23.6
107.08592	14.4
109.06516	3.4
109.10147	8.5
111.08089	2.9
115.05433	2.3
117.07027	15.0
119.08598	18.9
121.10149	74.2
123.08064	4.2
123.11674	1.6
128.06235	2.9
129.07016	11.4
130.07700	1.4
131.08568	31.4
133.10155	10.2
135.08060	25.4
135.11673	3.3
137.09631	6.9
141.06973	3.6
142.07802	5.2
143.08568	20.9
144.09337	2.1
145.10133	40.0
147.08025	2.6
147.11702	3.1
149.09618	3.4
151.11069	2.5
155.08553	5.3
156.09290	2.7
157.10130	18.8
158.10913	2.4
159.08064	2.0
159.11697	17.6
161.13269	2.3
163.11198	3.5
168.09323	1.8
169.10115	11.0
171.11720	15.1
173.09657	1.8
173.13266	20.8
181.10141	2.0
183.11716	15.7
185.13319	3.7
187.11182	4.1
187.14796	3.0
190.23785	1.7
197.13277	11.5
199.14836	33.5
201.12726	5.0
209.13255	1.7
211.14928	3.0
213.16405	7.0
214.17096	2.6
215.14240	2.0
215.17957	5.4
239.17943	29.1
257.08051	1.9
257.19016	100.0
257.26678	3.6
258.27939	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	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03954	1.0
55.05518	4.5
57.07074	1.8
59.28386	0.9
67.05511	8.8
68.80229	0.8
69.07079	9.5
71.04988	3.1
71.08632	1.0
71.17222	1.0
79.05489	4.8
81.07064	9.4
82.28149	0.8
83.05003	0.8
83.08611	2.5
85.06548	2.4
91.05483	7.7
93.07044	9.3
95.04964	1.4
95.08614	14.0
96.08971	0.8
97.06520	6.3
99.08114	2.0
103.05494	1.0
105.07040	10.4
107.04996	0.9
107.08577	5.8
109.06528	2.8
109.10168	8.4
111.08128	2.0
112.28284	1.0
112.66913	0.8
117.07035	10.7
119.08592	10.9
121.06528	0.8
121.10156	18.2
123.08066	2.5
123.11687	2.1
128.06201	2.0
129.06998	7.4
130.07739	1.1
131.08578	20.7
133.06488	0.9
133.10129	10.0
133.11011	1.3
135.08078	7.6
135.11722	3.9
137.09612	2.5
141.06996	2.0
142.07791	3.0
143.08572	9.6
144.09357	1.5
145.10133	25.7
147.08047	1.7
147.11676	3.8
149.09610	1.0
151.11229	1.0
154.07774	1.0
155.08565	3.5
156.09392	2.5
157.10132	19.7
158.11000	2.1
159.08075	1.3
159.11707	20.2
161.09605	3.4
161.13289	4.1
163.11209	2.9
168.09354	2.3
169.10120	8.0
170.10892	1.2
171.11707	11.9
172.12556	0.8
173.09596	2.6
173.13266	16.2
175.11203	3.2
175.14809	0.9
182.10966	1.1
183.11653	10.5
184.12445	1.3
185.13275	4.9
187.11143	6.9
187.14841	3.5
189.12808	2.5
195.11714	1.2
197.13260	8.9
198.14059	1.5
199.11108	1.7
199.14841	14.5
201.12738	9.1
209.13260	1.2
210.14117	1.1
211.14815	2.7
213.16389	13.8
214.17149	4.6
215.14572	1.8
215.17943	13.1
224.15584	1.8
227.14346	1.4
229.15875	1.0
239.17938	15.6
242.16876	1.0
257.19031	100.0
257.26700	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.01867	1.6
55.05507	0.6
57.03440	2.1
58.47311	0.4
67.05508	4.8
69.03423	1.0
69.07056	1.7
70.06602	0.5
70.50655	0.5
70.51003	0.9
71.04982	0.8
79.05487	2.9
79.77510	0.4
80.46754	0.3
81.03423	100.0
81.07063	2.7
83.04984	2.3
83.05393	0.4
85.02917	1.3
85.17863	0.4
85.53857	0.4
91.05491	12.0
93.07044	6.6
95.04985	1.5
95.08606	3.4
96.60016	0.4
97.02901	1.2
97.06556	0.5
98.97604	1.4
98.98456	0.4
103.04040	0.5
105.07037	1.4
107.08577	0.8
109.06519	0.6
109.10151	3.0
111.08106	1.4
117.07014	0.9
119.08591	13.2
121.06497	4.7
121.10175	1.0
123.08095	1.9
129.07040	0.6
131.08578	0.4
135.08098	0.4
137.09622	15.3
145.04970	0.4
147.08040	5.1
155.10718	0.7
158.99692	0.6
165.09122	35.3
165.76939	0.4
168.82712	0.3
183.10114	1.9
187.07597	0.3
192.18634	0.3
201.11194	0.5
221.11807	0.3
236.10037	0.4
239.12767	6.2
245.10448	0.7
257.08163	1.3
257.13828	2.5
257.19089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03951	0.9
53.22401	0.5
55.01861	0.8
55.05514	3.5
57.03446	0.7
57.07077	1.8
59.05011	0.6
65.03947	0.9
65.88133	0.6
67.05515	6.1
69.03432	1.2
69.07076	5.2
69.57734	3.8
71.04998	4.1
77.03923	0.6
79.05493	9.4
81.07054	5.6
83.04978	1.2
83.08633	1.8
85.06551	3.1
91.05480	10.1
93.07045	17.9
95.04975	4.6
95.08613	11.9
97.06522	1.4
98.20818	1.4
99.08086	0.9
103.05463	1.3
105.07037	27.2
107.08595	16.6
109.06537	6.8
109.10158	11.2
111.08070	3.2
115.05460	1.7
117.07004	5.1
119.06070	0.6
119.08585	21.4
120.05752	0.9
121.06507	1.2
121.10149	79.5
123.08069	4.5
123.11701	2.5
125.09644	0.6
128.06230	2.3
129.07008	4.7
130.07780	0.7
131.08574	12.4
133.07591	1.4
133.10132	10.2
135.08060	25.3
135.11667	2.8
137.09641	7.0
141.06963	1.0
142.07816	5.5
143.08572	15.8
144.09315	2.8
145.10133	17.6
147.08025	1.1
147.11725	3.2
149.09610	5.3
151.11209	1.4
153.07021	1.0
154.07794	1.1
155.08531	3.4
156.09406	4.0
157.10143	20.1
158.10938	3.7
159.08136	1.3
159.11702	17.7
161.09641	2.1
161.13295	1.8
163.11180	4.5
166.19133	0.6
168.09370	2.2
169.10124	10.1
170.10918	1.2
171.11699	10.8
173.09641	1.7
173.13272	20.0
174.14040	1.9
175.11224	2.0
175.14822	1.6
177.12766	1.8
181.10176	1.0
182.10962	1.1
183.11688	7.8
184.12428	3.0
185.13280	1.9
187.11183	5.0
187.14845	3.0
189.12730	2.2
195.11691	1.8
196.12410	0.8
197.13293	7.1
199.14833	33.9
201.12775	7.5
209.13316	1.9
210.14044	1.0
211.14853	1.1
213.16391	10.4
214.17162	2.1
215.14337	2.5
215.17943	6.4
224.15656	1.6
239.17963	12.8
257.19016	100.0
257.26529	6.3
258.19318	0.7
258.27881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83730	0.3
55.01877	3.1
55.05493	0.3
56.96568	8.2
57.03437	6.0
59.05001	0.7
59.42318	0.2
61.02929	2.9
69.03434	3.5
69.07065	0.3
70.02970	0.3
70.06596	0.5
70.98125	3.7
71.01362	1.7
71.04996	0.6
71.50846	0.5
71.95267	0.9
72.08133	0.4
72.96043	0.3
73.02922	4.0
78.03475	0.4
80.05019	1.2
81.03434	0.6
82.01461	0.2
84.08131	0.8
84.96050	0.5
85.02909	5.3
86.06051	0.3
86.09698	1.2
87.04447	0.8
88.99148	0.5
91.03958	0.3
96.04485	0.3
97.01427	0.8
97.02907	2.7
98.97583	9.4
98.98218	0.6
99.04462	0.4
100.04451	0.3
101.00858	1.3
101.02365	0.5
103.03951	0.9
106.02902	0.5
107.03308	0.3
109.02885	0.4
110.07151	1.1
110.97575	6.1
112.99141	0.8
113.00902	0.6
113.02409	0.3
115.02477	1.5
115.03247	0.4
115.03924	3.0
116.98621	3.5
119.01934	1.3
120.02010	0.6
123.05547	5.2
124.03958	100.0
124.95483	1.1
127.03925	0.8
128.02345	0.3
128.98621	3.8
129.01877	0.9
130.93277	0.4
131.00128	0.3
131.01901	0.9
131.05571	0.5
133.03453	0.7
133.03941	0.3
133.04964	5.0
134.99677	0.3
137.05981	0.3
139.04193	0.3
142.01772	0.4
142.96524	0.8
143.01947	0.8
143.03484	0.4
145.04973	0.4
146.99677	1.2
147.03026	0.3
147.05046	0.3
149.06587	0.4
150.01804	0.3
152.94888	0.4
153.05804	2.7
154.96516	2.5
156.98090	0.4
157.01407	0.4
157.03519	0.4
158.99669	0.9
160.02737	0.3
160.04808	0.4
161.01201	0.3
161.02983	1.0
161.04405	0.6
161.06599	0.7
161.55681	0.3
162.03481	0.3
162.06343	0.8
168.03659	0.4
170.96027	1.5
171.01271	0.4
171.02762	0.5
172.94339	0.8
172.97591	7.3
173.02919	0.5
174.99194	0.5
175.05348	0.4
177.00781	0.4
177.04193	0.5
188.97090	1.4
189.00829	0.4
189.02451	0.6
189.03963	1.7
190.00995	0.3
190.98618	5.8
191.03882	0.5
196.02950	0.4
202.98643	0.4
203.05618	0.7
203.07475	0.3
205.01884	0.4
205.03743	0.4
206.07045	0.7
208.99712	1.0
210.12419	1.0
214.03802	0.4
214.98668	1.2
218.98149	0.7
219.01872	0.5
220.99733	1.0
224.08107	1.1
232.96405	0.4
232.97235	0.4
232.99550	5.3
233.01935	1.6
233.05058	0.4
233.10622	0.5
251.00601	7.0
256.03033	3.2
256.08121	1.1
256.12866	1.3
256.96564	0.7
269.01785	0.4
274.04080	1.4
274.97531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.5
56.96568	9.2
67.11379	0.2
69.71032	1.3
71.95267	2.7
92.27696	0.2
98.20810	0.3
98.97588	100.0
101.00890	0.3
116.98628	35.3
119.01915	0.4
128.51965	0.2
130.93312	1.4
134.99657	6.5
140.00191	1.0
164.21852	0.3
172.94359	4.2
190.95416	2.0
208.96475	0.4
214.95396	3.3
222.86491	0.2
224.56496	0.3
230.98732	0.5
232.96460	4.0
238.95596	0.8
250.97545	1.2
252.86349	0.3
256.93658	0.4
256.96472	13.7
257.06906	0.8
274.97516	54.8
275.07938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14484	3.0
55.01860	5.2
57.03429	7.6
61.02959	2.7
69.03445	4.3
70.06618	3.1
70.76961	7.1
71.01340	3.4
73.02922	6.1
78.44899	2.5
85.02904	5.0
94.93021	36.0
97.02843	3.2
98.20804	2.6
104.10749	6.2
112.89597	3.3
114.19992	2.9
124.03962	100.0
125.04309	93.3
131.01913	3.7
136.94032	91.6
141.44304	2.4
148.94035	83.1
152.07022	5.1
155.01817	3.7
161.02983	3.2
166.95099	42.2
257.05902	3.3
272.84900	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32308	0.4
51.12842	0.3
53.03951	2.1
55.01871	1.1
55.05509	1.3
56.97761	0.3
57.03435	2.0
58.34690	0.3
67.05505	4.7
69.03436	0.4
69.07082	1.2
70.06593	1.1
70.50645	0.6
70.51031	1.1
71.04998	1.4
71.57468	0.3
72.08138	0.4
72.44803	0.4
79.05502	2.9
81.03423	100.0
81.07047	2.7
82.03746	0.4
83.04980	2.7
84.08142	0.7
85.02924	1.3
85.06557	0.6
86.09715	0.4
91.05488	11.5
93.07050	5.7
95.04996	1.2
95.08614	3.9
97.02890	1.0
97.06546	1.0
98.97588	0.6
101.06028	0.8
103.05468	0.4
105.07033	1.4
105.43912	0.4
107.08577	0.5
109.06525	0.6
109.10180	1.6
111.04487	0.5
116.07089	0.7
117.07027	1.7
119.08587	12.8
120.47393	0.4
121.06512	2.8
121.10130	0.5
123.08132	1.4
125.09651	0.6
129.07016	0.8
135.08113	0.4
136.07608	0.4
137.09630	14.1
142.00722	0.4
147.08038	3.6
165.09122	33.1
175.14909	0.8
183.10202	1.5
203.14250	0.6
221.15430	0.9
229.08681	0.8
239.12823	5.7
257.08096	0.5
257.13751	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43589	0.2
55.01678	0.2
55.01877	2.5
57.03442	4.7
59.04989	0.6
59.07592	0.2
61.02920	0.9
69.03432	2.0
70.29621	0.8
71.01347	0.9
73.02924	2.6
73.12106	0.2
74.94231	0.2
78.03462	0.6
80.04581	0.2
80.05019	0.9
85.02911	2.7
87.04464	0.8
96.04503	0.8
96.27586	0.2
97.02893	0.9
101.09904	0.2
103.03943	0.5
115.03945	2.2
123.05546	1.5
124.03959	100.0
133.04967	4.6
133.05878	0.4
187.07565	0.3
256.08093	0.7
256.12753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
50.71350	0.7
53.03949	0.7
55.01887	0.7
55.05511	4.5
57.03445	3.6
57.07062	1.2
59.04998	0.9
62.66999	0.5
67.05508	7.6
69.03435	0.6
69.07064	6.5
69.29102	1.0
69.29501	4.4
71.04987	2.3
74.77126	0.6
79.05492	8.0
81.03418	1.3
81.07053	6.1
83.04984	3.7
83.08623	1.6
85.02905	0.8
85.06544	1.8
91.05479	6.4
93.07051	9.7
95.04962	2.3
95.08607	5.0
97.06535	3.3
97.10155	1.5
98.98464	4.8
99.08047	0.8
100.41151	0.6
105.07030	7.9
107.04977	0.9
107.08593	9.3
109.06517	3.0
109.10149	3.0
111.08092	1.6
117.07027	1.5
119.08582	10.7
121.10107	3.1
123.08062	1.2
125.09609	0.7
128.06245	2.4
129.06996	2.4
131.08546	3.8
133.10143	6.7
135.08046	3.4
135.11693	7.5
136.02158	0.8
141.07022	1.9
142.07761	5.5
143.08572	11.3
144.09328	0.6
145.10135	5.5
147.08052	1.8
147.11743	1.3
149.09622	1.6
153.06905	1.2
154.07751	1.0
155.08530	6.1
156.09360	8.7
157.10124	13.2
158.10847	0.6
159.08127	1.3
159.11713	6.6
161.09628	3.5
161.13303	0.7
163.07507	0.7
163.11188	1.9
165.07047	2.5
166.07898	1.3
167.08546	3.9
168.09381	1.0
169.10118	10.7
170.10916	3.8
171.11682	21.4
171.18541	0.6
172.12434	0.9
173.09627	2.0
173.13289	2.0
175.11258	1.6
179.08568	1.1
180.09399	2.0
181.10147	4.6
181.12202	1.6
182.10889	8.6
183.11694	9.3
184.12492	1.9
185.09663	2.6
185.13240	5.8
187.11263	2.0
192.09531	0.9
193.10028	3.5
194.10957	1.2
195.11687	9.0
196.12485	4.2
197.13261	37.8
198.10432	0.7
198.14090	1.8
199.11176	8.0
199.14920	1.5
200.12033	0.9
207.11696	7.2
208.12524	1.9
209.13243	3.5
211.11237	1.1
211.14812	11.7
212.12076	1.0
212.15584	9.1
213.12863	6.5
213.16374	20.4
214.13470	1.4
222.14053	4.8
225.12776	3.0
226.13629	0.8
227.14391	1.1
227.17998	3.2
237.16373	14.7
237.18628	0.8
240.12836	0.7
240.14969	3.1
255.17503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23038	0.2
53.03950	0.6
55.05512	3.4
57.07072	0.4
57.28634	0.2
62.07915	0.2
65.03937	0.4
67.05508	7.2
69.07077	2.5
70.17428	0.6
70.66071	0.2
71.08652	0.2
79.05500	4.4
81.07062	9.9
83.08621	4.0
91.05484	7.2
93.07050	9.3
95.04980	0.3
95.08614	11.3
97.06565	0.2
97.10167	0.5
98.98476	2.4
105.07039	15.4
105.50037	0.2
106.19089	0.2
107.08598	7.1
109.10164	8.1
111.04380	0.2
115.05452	0.3
117.07020	5.6
119.08592	9.2
121.10154	5.8
123.11716	1.3
128.06245	0.3
129.06995	1.4
130.07777	1.4
131.08574	9.5
133.10136	5.6
135.11708	2.5
137.13274	0.3
142.07779	0.3
143.08568	3.0
144.09380	1.1
145.10135	22.7
147.11696	11.2
149.13268	4.2
151.14775	0.4
157.10144	2.3
159.11703	20.9
161.13266	20.2
163.14839	0.6
171.11726	2.6
173.13274	12.4
175.14806	0.8
177.16396	1.0
185.13258	3.2
186.14149	0.4
187.14806	2.6
189.16351	0.4
197.13274	0.5
199.14847	5.2
200.15617	0.2
201.16409	0.7
209.11777	0.3
211.14890	0.4
213.16405	1.9
226.17183	0.4
227.18004	1.2
227.19908	0.2
240.18716	0.5
253.19543	0.3
255.21092	100.0
256.21439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26557	1.3
55.01865	4.3
56.96568	62.9
57.03424	2.9
61.02930	17.9
68.99772	2.1
69.03413	2.8
70.03419	5.1
70.06602	6.9
70.98125	57.8
71.01349	3.8
71.64014	1.2
71.95258	4.9
72.08140	2.8
73.02923	2.7
73.06528	1.5
75.57619	1.3
82.00003	2.0
84.08125	2.2
84.96024	2.5
84.99250	2.8
85.02900	4.3
86.09696	4.7
86.99235	1.4
88.99162	9.9
91.00504	3.9
95.99746	1.9
97.00483	1.8
97.02863	2.1
98.01298	2.7
98.06065	1.9
98.96952	1.9
98.97590	37.4
99.04436	1.3
100.01036	1.4
100.99168	1.6
101.00889	2.7
101.99744	5.8
105.00259	1.6
106.01014	2.0
109.00439	2.2
110.07170	3.8
110.97580	17.5
111.00246	12.6
112.01006	2.3
112.08734	1.3
112.99093	1.9
113.00843	1.6
113.92828	1.1
115.00600	1.3
115.02450	1.2
115.03935	1.6
116.98634	10.5
117.00278	7.2
117.01863	53.9
117.03991	1.9
118.01033	17.8
119.01893	2.4
120.00774	3.1
123.00236	2.9
123.05569	6.2
123.23055	1.5
124.01012	5.2
124.03958	16.1
124.05939	8.6
124.11234	1.9
124.95444	2.1
126.00745	9.7
126.97056	2.3
127.01549	24.4
128.98618	20.6
129.01860	5.8
131.00131	1.6
133.01561	14.0
134.02345	1.5
134.99687	2.6
135.01276	3.9
135.03372	1.1
135.99132	2.4
139.01517	3.0
142.01997	3.0
143.00078	2.6
144.99724	33.7
145.01472	1.7
145.03445	1.6
146.99658	11.1
147.01279	3.3
147.05833	1.8
148.61681	1.4
149.06554	1.7
150.09131	2.1
150.99722	8.3
152.00470	6.2
152.94884	2.2
154.00229	31.1
154.96539	26.6
154.97784	1.6
156.01755	3.0
156.98145	2.4
156.99673	5.1
158.00455	3.7
158.99565	2.3
160.00238	5.8
161.01050	6.3
161.02989	3.0
165.00745	4.2
166.00240	15.7
167.01031	17.7
169.00835	2.9
169.13367	1.9
170.96045	3.6
172.94421	2.3
172.97600	69.3
173.01089	4.6
173.98016	1.2
174.99257	2.4
175.00755	23.8
175.05775	1.9
176.01491	6.1
178.51831	1.6
179.00992	2.3
182.01483	3.1
184.01308	13.1
186.51797	1.4
186.99170	2.5
187.00748	26.4
187.09964	1.8
188.97066	3.5
189.00655	3.8
189.02292	2.0
190.98639	49.2
191.02205	2.3
193.00435	2.4
196.01295	100.0
196.51413	6.1
197.02075	1.8
200.97113	8.6
202.98654	2.7
205.00185	5.4
205.01845	56.5
207.52074	3.1
208.99780	7.3
210.12326	2.9
211.01836	2.1
214.02243	2.8
214.98643	7.2
215.02255	1.7
215.04111	3.0
215.09360	2.1
216.52570	1.9
217.00121	2.2
217.01889	3.1
218.02763	1.6
218.98158	22.3
220.99646	2.2
222.06523	1.4
226.02411	6.2
228.18214	3.4
232.96382	1.5
232.99678	25.9
233.05148	3.1
233.10632	2.1
235.01266	1.9
236.99269	6.8
238.02319	2.4
250.98087	1.6
251.00710	24.5
256.03036	4.6
256.12973	4.7
256.96539	1.7
258.21979	1.9
269.01752	2.8
274.04016	1.5
274.97464	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.32037	1.1
53.03938	3.0
55.01841	3.9
55.05281	1.8
55.05515	23.1
57.03441	43.5
57.07049	5.7
62.30499	1.4
65.03925	2.2
67.05511	74.6
69.03412	2.1
69.06741	1.7
69.07075	22.2
69.76583	6.3
71.01337	4.6
71.05006	7.1
77.03894	1.3
79.05500	67.7
81.03426	11.0
81.07060	33.3
83.04508	1.6
83.04988	25.3
83.08633	6.8
85.02902	1.5
85.06523	5.8
91.05495	25.1
93.07051	72.8
95.04981	8.6
95.08625	12.9
97.06541	19.0
97.09657	1.3
97.10185	15.4
98.21414	2.2
98.97894	1.2
98.98481	15.2
99.04408	2.2
99.08074	3.2
105.04486	2.5
105.07063	6.8
107.04928	3.4
107.08601	47.0
109.06481	1.4
109.10165	10.2
111.08037	4.0
115.01964	1.2
117.07041	8.1
119.08580	11.0
121.06481	2.3
121.10140	11.3
125.09592	4.5
125.92355	1.1
128.63033	1.2
130.07750	2.3
131.08507	2.0
133.10089	5.8
135.08026	3.9
135.11700	100.0
136.81606	1.2
137.09599	3.5
143.08554	3.0
145.10132	16.9
153.12697	3.7
157.10086	2.1
159.11644	1.6
163.11234	14.0
176.98935	1.9
177.21504	1.8
181.12248	18.0
196.88612	1.4
197.13193	1.8
199.11325	1.9
217.35367	1.2
255.06352	1.6
255.15836	80.3
255.21121	4.3
255.25220	6.4
256.26291	1.8
256.72952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01876	14.4
55.05519	58.0
56.96570	81.2
57.03445	29.3
57.07079	9.8
67.05510	77.7
69.03426	5.8
69.07072	64.9
70.91206	11.6
71.04995	19.2
71.08619	6.4
79.05502	95.5
81.03415	13.4
81.07065	75.9
83.04990	25.9
83.08633	33.1
84.96013	9.6
85.02905	7.3
85.06548	17.2
87.04471	5.3
89.00844	4.2
91.05500	51.7
93.07063	83.1
95.04969	17.2
95.08614	65.0
97.02914	6.9
97.06543	34.5
97.10186	18.5
97.99173	4.9
98.98466	71.5
99.04438	7.2
100.99165	28.6
105.03417	4.8
105.07024	35.9
107.04959	28.1
107.08591	62.4
109.06548	27.3
109.10152	30.4
110.97580	16.2
111.04453	8.4
111.08081	17.0
113.06001	10.0
113.09650	5.5
115.05400	7.6
117.07028	24.7
119.00182	7.9
119.08588	41.4
121.06502	16.5
121.10146	32.3
123.04469	5.2
123.08094	9.0
123.11726	14.5
125.05993	11.5
125.09611	15.3
126.97047	8.6
128.06216	5.4
128.98615	14.4
129.07027	13.1
131.08577	25.4
133.10136	20.8
135.04443	8.6
135.08041	28.9
135.11696	60.9
135.74965	4.4
137.05963	20.7
137.09593	8.2
141.06998	8.2
142.07806	10.0
143.07057	19.6
143.08582	17.2
144.98123	15.7
145.10147	41.4
146.99666	22.2
147.11707	19.0
149.09627	11.8
149.13274	9.9
151.07523	10.3
152.06169	5.7
153.09138	4.9
155.08615	10.8
156.09334	9.1
157.10143	23.0
159.11713	43.4
161.13261	11.6
162.99203	16.3
163.07574	13.3
163.11177	13.1
165.00769	16.2
165.07083	8.9
167.07042	14.9
167.08533	11.1
167.10254	4.9
169.10168	10.1
171.11667	13.0
172.97635	16.9
173.09842	6.0
173.13297	29.1
177.16565	4.9
181.10117	8.8
181.12312	7.8
182.10861	8.4
183.11662	12.9
185.13220	6.6
190.98653	54.9
191.14305	22.7
195.11690	7.5
197.13281	31.6
199.11273	11.3
199.14842	6.5
201.12747	13.7
201.16362	5.3
208.99702	100.0
211.14798	9.3
212.15607	9.6
213.16383	11.9
214.00237	17.2
219.13759	37.9
227.00830	7.8
227.08157	17.2
232.01297	16.9
237.14719	35.6
237.18497	7.2
255.07556	9.8
255.09972	8.9
255.15546	22.1
255.17455	66.1
255.21129	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25027	2.2
56.96570	15.9
57.03430	4.7
61.02932	2.6
69.03418	3.1
70.93250	5.4
73.02927	2.6
84.23236	2.1
85.02907	3.6
85.50718	2.2
87.15375	2.3
91.66901	2.2
96.92847	3.1
100.99142	5.0
106.02911	5.2
110.97567	3.9
123.05564	100.0
128.98619	4.5
133.04953	4.0
144.98099	3.6
146.99706	3.7
149.26973	2.3
161.03087	2.4
172.97598	3.3
175.20367	2.3
190.98654	4.4
208.99744	13.0
227.00671	2.3
254.97443	2.5
255.06270	21.2
272.07330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
56.96568	3.9
57.03437	3.6
58.33409	0.3
59.04988	0.4
61.02917	1.0
68.68367	0.3
69.03429	2.2
69.45163	0.6
69.45574	1.0
71.01350	1.1
73.02925	2.3
76.42146	0.2
78.03456	0.9
80.05016	1.8
83.21506	0.2
84.96046	0.3
85.02908	2.7
86.09674	0.3
87.04473	0.5
94.93038	0.4
96.04510	0.5
96.92822	1.4
97.02888	1.3
98.97587	0.8
100.99167	1.3
101.00903	0.3
106.02234	0.4
106.02922	6.6
110.07213	0.3
110.97578	0.9
115.03918	1.6
119.01898	0.3
123.05559	100.0
124.03957	2.4
126.97024	0.6
127.03915	0.3
128.98596	1.2
133.04973	2.4
136.93939	0.3
138.05507	0.8
144.98103	0.6
145.04903	0.3
146.99670	0.7
162.99208	0.3
165.00685	0.7
172.97600	0.7
173.03017	0.3
190.98643	3.1
192.92972	0.3
196.02959	0.2
197.03084	0.3
203.04153	0.3
206.85855	0.2
208.99727	3.9
214.00488	0.3
232.01413	0.4
232.05052	0.4
232.10370	0.4
255.06377	2.1
255.09697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39329	0.3
55.01871	2.2
56.96571	2.4
57.03442	2.9
57.84397	0.3
59.73666	0.4
61.02922	0.7
69.03420	2.1
69.49528	1.2
69.49962	0.8
71.01349	0.9
73.02920	2.2
78.03449	0.9
80.05011	2.0
85.02906	2.6
87.04487	0.5
91.06772	0.3
94.93026	0.4
96.04487	0.6
96.20351	0.4
96.92836	2.0
97.02886	0.9
98.21484	0.7
98.97565	0.3
100.99146	0.7
106.02926	6.2
110.07154	0.4
110.97605	0.7
112.13199	0.3
112.89635	0.4
115.03943	1.8
115.18860	0.3
121.99949	0.3
123.05560	100.0
124.03968	4.1
128.98610	0.5
133.04968	2.6
138.05524	0.8
152.05696	0.4
172.34247	0.3
180.84666	0.3
190.98683	1.2
192.19028	0.4
192.93021	0.6
208.99760	1.6
223.07939	0.3
232.10451	0.4
255.06339	1.8
255.09720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
54.57596	1.5
55.01862	6.9
55.05281	1.5
55.05516	26.0
56.96543	1.7
57.03441	47.2
57.07058	7.3
65.03936	2.3
67.05508	83.7
69.03467	1.5
69.07070	29.5
69.74212	9.2
69.74548	1.3
71.01352	5.5
71.04992	8.5
75.18359	1.6
79.05495	76.9
81.03436	9.9
81.06599	2.8
81.07056	41.7
83.04978	25.1
83.08610	9.1
85.06532	5.9
88.07613	1.6
91.05482	33.3
93.07051	80.2
95.04955	6.2
95.08076	1.6
95.08622	17.3
97.02895	2.0
97.06528	19.5
97.10189	17.0
98.98472	24.3
99.04415	2.3
99.08091	3.6
100.98901	1.7
105.07013	9.2
107.04930	4.5
107.07889	3.0
107.08601	59.3
109.06542	2.5
109.10175	11.9
110.50020	1.8
111.08072	4.0
117.07034	10.3
119.08579	12.5
121.06466	2.5
121.10134	16.5
123.11713	1.7
125.09611	5.4
129.07014	1.7
130.07768	2.1
131.08516	2.7
133.10101	6.1
135.08057	8.7
135.11697	100.0
137.09607	4.4
143.08562	2.1
145.10138	20.8
153.12706	4.1
153.88863	1.5
159.11780	2.1
161.13249	2.3
162.19691	1.8
163.07523	3.4
163.11176	12.9
167.10683	3.2
181.12234	18.6
195.10109	1.9
199.13342	1.9
255.06407	3.6
255.15883	87.4
255.21098	7.5
256.26315	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	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08620	0.7
55.01879	1.0
56.96565	7.9
60.08170	80.5
61.02919	3.0
65.03942	4.4
69.03417	1.2
70.06572	3.5
70.52871	1.1
70.53201	1.6
70.98114	0.8
71.01361	5.4
72.08150	2.4
73.02930	1.2
73.06544	3.7
74.06879	2.3
74.39753	0.7
75.04477	3.0
79.05482	1.1
81.07043	2.8
83.06120	2.3
84.08141	2.7
85.02904	2.8
87.04467	1.0
91.05482	6.6
93.03411	22.7
93.04523	1.1
95.04993	1.2
95.06086	3.7
97.02876	2.2
98.06065	0.9
98.97568	4.1
98.98454	3.6
100.99108	0.8
102.93906	0.7
103.03957	5.4
103.05448	1.3
107.04967	1.4
110.03722	1.3
110.07173	15.2
110.97587	0.9
111.04443	13.0
116.98595	1.5
119.04951	6.0
120.08112	0.8
121.06512	3.0
125.06002	42.6
128.98579	1.5
131.03426	4.7
134.03667	1.6
134.05960	1.0
137.06004	1.7
145.04936	1.9
146.99622	0.8
149.05991	79.4
151.07597	1.4
153.05475	100.0
157.04887	1.9
159.02904	15.3
161.04660	3.1
163.03966	1.9
163.12329	5.6
170.05173	1.0
177.00682	1.4
177.05513	6.8
187.02583	1.0
190.13411	2.9
191.05515	1.2
195.06544	70.6
195.11310	2.2
208.09698	1.4
208.12860	1.2
208.14497	10.4
211.07477	2.1
219.01840	0.9
219.05020	21.7
231.01799	1.3
254.09583	2.1
254.13748	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2844
Annotation	(-)-Solenopsin A
Peak:m/z	Relative Intensity
55.05517	10.5
57.07082	3.7
58.06322	0.4
58.06605	8.6
66.31589	0.3
66.39960	0.3
67.05489	0.6
69.07076	13.4
71.08634	2.3
71.25597	0.4
72.08162	0.5
81.03400	0.4
81.07052	0.8
83.08168	0.5
83.08632	7.7
85.10179	1.2
91.05486	2.0
93.07024	0.4
97.10178	4.9
98.98485	2.9
109.10112	0.4
111.11705	1.5
118.56731	0.3
128.02959	0.3
152.54141	0.3
182.84451	0.3
184.20607	1.6
198.22266	0.4
211.07657	0.4
254.09421	0.5
254.19855	2.1
254.28445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	21.3
59.76494	19.9
68.66179	16.8
71.51198	29.0
71.59529	18.9
80.41161	16.7
100.99175	22.5
121.25718	21.0
197.01457	23.1
207.69714	18.2
214.89467	18.8
217.34320	21.7
254.97540	100.0
255.06320	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78281	1.2
55.01873	3.6
55.05501	2.3
56.96570	83.2
57.03449	6.0
61.02917	4.3
67.05501	2.0
68.63054	1.0
69.03432	5.1
69.99014	4.4
70.06596	2.0
70.98141	2.4
71.01373	2.4
71.04978	1.2
72.96037	3.7
73.02924	3.6
74.97610	2.2
80.05025	2.4
84.04524	1.7
84.08149	5.7
84.96040	6.8
85.02911	6.9
85.06518	1.4
85.74354	1.2
87.04461	1.1
95.06087	2.0
96.06491	2.0
96.99823	1.1
97.00460	1.3
97.02889	4.1
98.97591	21.5
98.98460	4.1
99.04450	1.5
100.99152	28.5
106.02918	5.4
110.07206	8.2
110.97577	27.1
111.07556	2.4
115.03964	1.9
116.98661	6.2
119.00178	4.5
119.01929	1.5
123.05562	100.0
124.03951	1.6
126.97050	12.2
127.03976	1.4
128.98611	24.1
130.08630	2.5
131.01871	1.3
132.98076	1.5
133.04999	3.1
137.05940	1.2
143.00221	1.8
144.98093	19.6
146.99673	15.8
148.03909	3.2
152.94591	1.4
154.00401	1.3
154.96524	2.1
155.00241	1.5
155.04659	2.4
156.07642	1.8
158.99680	5.3
160.03209	1.7
161.02856	1.4
161.04651	3.6
162.99176	6.8
164.12706	2.4
165.00726	10.4
166.05019	5.9
168.03409	1.4
169.00259	1.3
172.94208	1.9
172.97598	16.5
172.99002	2.0
174.55186	2.5
174.99271	1.7
175.00728	1.2
175.05768	4.7
176.97292	1.2
177.00761	2.5
182.99786	1.7
183.01703	2.5
184.06300	3.3
186.04445	1.5
188.05226	2.2
189.00748	1.7
190.98642	62.0
203.03937	1.4
204.98126	1.3
208.99710	75.6
209.09929	1.8
209.14824	5.8
212.96967	1.3
214.00285	7.4
220.05298	2.2
223.05470	3.6
227.00726	6.0
230.98009	1.8
232.01318	7.0
232.04990	1.5
245.05148	1.8
255.01823	2.2
255.06343	5.4
255.09837	2.2
255.15327	9.8
273.02841	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	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
51.68834	1.3
53.03940	3.2
55.01873	3.2
55.05512	54.7
56.15499	1.4
57.03426	4.9
57.07076	13.9
59.04987	1.8
67.05509	60.8
69.03419	4.3
69.07071	80.4
71.04980	6.3
71.08632	3.0
71.52380	2.2
71.52737	1.9
79.05501	29.8
81.07059	96.9
83.04987	8.3
83.08621	55.7
85.02861	1.9
85.06564	9.8
85.10169	1.9
91.05479	26.3
93.07046	36.9
95.04958	3.5
95.08613	75.7
97.02879	2.4
97.06535	13.6
97.10173	44.7
98.98473	100.0
99.04460	2.9
99.08092	11.6
101.06045	2.3
105.07035	25.1
107.08594	32.4
109.06511	4.2
109.09481	2.3
109.10162	32.3
111.08093	12.5
111.11729	16.6
113.09602	2.6
115.07573	2.8
116.99472	1.7
117.07021	3.4
118.24300	1.5
119.06169	1.6
119.08594	24.7
121.09336	2.6
121.10154	41.1
123.08078	8.4
123.11712	16.3
125.09615	7.9
125.13244	4.8
127.07579	2.9
127.11146	2.4
129.07013	2.5
131.08531	3.4
133.06483	2.0
133.10126	29.3
135.11696	36.1
137.09604	7.0
137.13260	8.4
139.11156	9.1
141.06915	2.7
141.09123	1.8
142.07796	2.0
143.08586	7.5
145.10106	6.7
147.11703	21.7
149.13254	8.0
151.11166	11.0
151.14816	6.7
153.12767	6.4
155.08601	2.9
155.65825	1.6
157.10150	13.8
157.12224	2.3
159.11697	8.0
161.13251	19.0
163.14758	2.9
165.12732	8.1
169.10164	3.4
171.11670	6.6
171.13872	2.5
173.13210	3.4
174.99246	3.2
175.14867	7.6
176.98926	3.5
177.16400	2.2
179.14294	5.3
183.11676	4.9
184.13338	2.1
185.13168	2.0
189.16386	3.6
191.17944	2.7
193.12259	1.9
193.19479	8.0
197.11728	3.5
197.13264	6.1
197.15059	1.8
199.14775	1.5
211.14781	4.1
217.19550	37.3
225.16422	2.0
235.17050	2.3
235.20576	34.3
238.17195	1.9
253.08562	3.4
253.14288	6.2
253.16228	3.0
253.19481	60.0
253.21700	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98897	1.3
61.02931	8.6
71.01351	6.7
71.24830	2.4
75.04481	14.8
87.04462	3.3
89.02400	2.4
98.21437	1.4
102.60991	1.1
103.03949	16.3
107.72532	1.3
131.03409	4.5
151.92911	1.2
155.20819	1.3
159.02910	39.7
187.02396	2.8
219.05022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.0
70.95561	3.3
71.01018	1.2
71.01353	7.2
75.04481	17.1
83.48798	1.3
87.04485	3.4
89.02393	1.7
103.03312	2.0
103.03947	22.3
115.33073	1.4
131.03380	6.5
159.02896	58.7
173.41209	1.5
187.02402	3.4
216.09734	1.4
219.05017	100.0
274.70569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
54.27054	0.2
55.05518	1.4
57.07070	0.3
62.33933	0.2
62.70579	0.2
62.84085	0.2
63.80199	0.2
66.14877	0.2
66.91737	0.2
67.05505	3.4
69.07073	1.3
69.65493	0.4
69.65900	0.7
79.05087	0.2
79.05505	2.7
81.07056	5.4
81.07531	0.4
83.08614	1.7
91.05481	3.7
93.07045	5.3
95.04968	0.2
95.08605	4.7
97.10138	0.3
98.98468	6.4
103.05466	0.2
105.04511	0.2
105.07038	8.1
107.08601	4.0
109.06464	0.2
109.10160	3.2
115.05451	0.5
117.07020	2.7
119.08591	2.9
121.10165	2.1
123.11700	0.6
126.39277	0.2
128.06221	1.6
129.07004	3.3
130.07782	0.5
131.08566	4.7
133.10141	3.3
135.11711	1.9
141.06984	2.1
142.07779	2.3
143.08566	11.3
144.09337	0.7
145.10123	7.9
147.11693	9.4
153.07001	0.2
154.07796	0.4
155.08546	4.2
156.09337	0.7
157.10130	12.9
159.11697	11.9
161.13245	0.5
165.06982	0.2
167.08568	0.7
168.09340	0.8
169.10120	4.0
170.10939	0.4
171.11688	7.7
173.13261	2.0
181.10152	0.7
182.10878	1.4
183.11697	5.8
184.12436	0.4
185.13249	3.3
187.14940	0.3
195.11681	0.6
196.12488	0.6
197.13269	9.7
198.14015	1.0
199.14828	0.6
209.13255	1.1
210.14096	0.5
211.12805	0.3
211.14830	4.9
212.15594	0.5
216.53787	0.2
223.14819	1.9
224.15596	1.1
225.16379	2.3
237.16409	0.3
238.17174	3.6
253.19511	100.0
254.19830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2165
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03933	1.7
55.01880	2.4
55.05516	48.9
56.82413	1.3
57.03427	3.8
57.07079	15.0
65.03941	2.3
67.05512	49.5
69.03433	2.5
69.07075	82.9
70.64074	2.9
71.05005	6.5
71.08634	4.6
73.06577	1.7
73.37661	1.2
79.05497	21.0
81.07062	69.8
83.04986	4.4
83.08624	55.6
83.09132	2.3
85.02907	1.7
85.06560	7.4
85.10190	2.7
91.05478	19.7
93.07054	27.5
95.04937	1.8
95.08616	65.9
97.06526	13.2
97.10181	46.8
98.98476	100.0
99.08106	6.3
105.07047	16.1
107.08603	22.9
109.06530	4.8
109.10170	32.9
111.08082	9.5
111.11729	19.1
116.98595	1.6
117.07083	1.2
119.08591	20.0
121.10149	34.5
123.08096	5.4
123.11713	15.6
125.09626	6.5
125.13297	5.4
127.07587	3.5
133.10144	29.0
135.08116	1.4
135.11700	28.5
137.09631	8.6
137.13246	8.4
139.11176	8.5
141.09116	2.4
141.36960	1.4
145.10136	1.6
147.11697	18.0
149.13300	8.4
151.07535	2.0
151.11195	9.1
151.14792	5.8
153.12767	5.6
155.10695	1.7
157.10222	1.7
157.12253	1.4
161.13275	15.9
163.14824	2.1
165.12770	7.6
169.12314	2.2
174.99197	1.3
175.14864	7.3
176.98993	3.4
179.14334	7.1
189.16217	1.3
191.18034	3.0
193.15939	2.4
193.19614	6.3
194.65993	1.2
197.11755	2.8
215.45180	1.2
217.19527	42.6
235.13374	2.4
235.16968	2.7
235.20581	30.6
253.08672	1.9
253.14439	4.3
253.19495	3.3
253.21686	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01858	1.3
55.05516	6.8
57.03419	2.9
57.07069	1.6
65.03936	0.9
67.05187	0.8
67.05511	11.6
69.03428	4.9
69.07072	8.0
69.56171	5.1
71.04971	3.5
79.05503	9.5
81.03441	1.5
81.07064	37.7
83.05001	4.0
83.08596	2.6
85.02898	1.9
85.06530	3.5
91.05488	13.2
93.07058	16.7
95.05013	3.7
95.08619	11.3
97.02861	1.1
97.06544	8.9
98.98477	48.9
101.06025	1.4
105.06328	0.7
105.07040	15.3
105.56280	0.8
107.04967	22.1
107.08600	12.1
109.06545	5.2
109.10171	7.6
109.14272	1.0
111.08092	28.4
112.27470	0.8
113.06007	0.9
116.99423	1.1
117.06997	2.1
119.08595	16.4
121.06505	5.2
121.10154	11.8
123.08041	3.5
123.11653	1.0
125.09637	1.8
128.06189	0.8
129.06961	1.2
131.08646	4.5
133.06487	1.6
133.10150	14.6
135.08067	6.5
135.11656	3.6
137.09581	3.4
139.07538	0.9
139.11136	2.1
143.08534	3.4
145.10098	3.4
147.08046	5.9
147.11690	9.0
149.09579	1.7
149.13266	2.8
151.11116	3.5
155.08569	1.0
157.10149	4.6
159.11723	8.3
161.09650	8.0
161.13223	2.2
162.05489	2.1
163.11156	3.1
163.14761	1.0
165.09129	15.6
165.12770	1.9
169.10072	1.4
171.11635	2.3
173.13205	1.1
174.99236	1.1
175.11148	3.4
175.14835	4.7
176.98944	1.0
177.12769	56.0
179.10661	2.0
183.11711	1.3
187.14743	2.5
189.12724	7.6
189.16368	2.9
193.12204	1.8
197.11719	1.1
199.14790	2.1
202.13644	0.8
204.15033	3.2
205.15898	7.5
207.13766	0.9
209.13245	0.9
211.11194	1.1
211.14890	0.9
217.12219	1.0
217.15901	10.2
217.19470	1.5
225.16519	1.1
235.16940	100.0
236.16753	1.1
243.42894	0.7
253.08278	1.2
253.13934	1.4
253.15843	3.2
253.17958	26.7
253.21802	1.9
254.17532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.94621	0.9
53.03943	2.2
55.01871	2.9
55.05513	12.3
56.96559	1.6
57.03432	4.2
57.07067	3.4
65.03944	2.4
67.01864	2.9
67.05506	22.8
69.03426	3.7
69.07069	24.7
71.01350	1.0
71.04992	7.8
71.52131	1.4
74.41674	1.0
79.05493	17.7
81.03421	3.0
81.07055	24.8
83.04981	6.9
83.08614	7.7
85.02908	100.0
85.06557	4.6
87.04468	1.1
91.05485	22.5
91.06030	2.0
93.07046	23.4
95.04974	7.2
95.08611	25.4
97.02914	1.6
97.06535	9.0
97.10188	3.0
98.98472	92.5
99.04443	1.9
99.08096	1.3
100.98895	1.1
101.06036	1.6
102.48768	1.0
105.07034	18.5
107.04977	2.4
107.08595	17.4
109.06567	5.1
109.10157	11.6
111.04437	3.0
111.08092	4.1
113.05988	1.4
115.05435	1.5
116.98653	1.3
116.99437	1.7
117.07015	3.9
119.08595	9.8
121.06508	2.4
121.10144	9.0
123.04427	1.6
123.08102	4.5
123.11706	2.9
125.06007	2.6
125.09631	2.2
128.06168	2.1
129.06975	2.8
131.08595	5.1
133.06497	1.1
133.10135	18.1
135.08051	1.7
135.11693	19.1
137.06007	4.0
137.09595	3.0
139.07492	1.3
139.11139	1.0
142.07733	2.3
143.08565	6.9
145.10132	4.0
147.08083	1.5
147.11700	7.6
149.09569	2.6
149.13329	2.6
151.07596	2.2
151.11198	2.8
153.12737	3.5
155.08577	1.4
157.10139	7.1
159.11693	5.4
159.18378	1.0
161.09631	4.1
161.13271	2.9
163.07524	1.0
165.06943	2.0
165.09213	1.2
165.12836	1.7
167.14346	1.4
167.65605	0.9
169.10132	2.2
171.11671	2.0
173.13345	1.7
174.99214	2.9
175.11205	2.2
175.14865	1.9
176.98938	2.3
177.12743	4.2
179.08626	0.9
179.10620	1.3
179.14291	1.9
181.10048	1.0
183.11736	2.7
189.12935	1.4
189.16435	1.7
193.12204	3.0
193.15929	3.7
195.13799	3.3
197.11763	2.0
197.13312	2.4
199.14825	1.2
209.13190	1.0
211.14857	1.4
217.12251	1.4
217.15877	3.8
221.05933	1.0
225.09145	1.3
235.13261	2.1
235.16954	10.4
235.20483	1.7
253.08682	2.6
253.14108	3.2
253.17786	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
53.03947	1.7
55.01858	1.3
55.05516	6.8
57.03419	2.9
57.07069	1.6
65.03936	0.9
67.05187	0.8
67.05511	11.6
69.03428	4.9
69.07072	8.0
69.56171	5.1
71.04971	3.5
79.05503	9.5
81.03441	1.5
81.07064	37.7
83.05001	4.0
83.08596	2.6
85.02898	1.9
85.06530	3.5
91.05488	13.2
93.07058	16.7
95.05013	3.7
95.08619	11.3
97.02861	1.1
97.06544	8.9
98.98477	48.9
101.06025	1.4
105.06328	0.7
105.07040	15.3
105.56280	0.8
107.04967	22.1
107.08600	12.1
109.06545	5.2
109.10171	7.6
109.14272	1.0
111.08092	28.4
112.27470	0.8
113.06007	0.9
116.99423	1.1
117.06997	2.1
119.08595	16.4
121.06505	5.2
121.10154	11.8
123.08041	3.5
123.11653	1.0
125.09637	1.8
128.06189	0.8
129.06961	1.2
131.08646	4.5
133.06487	1.6
133.10150	14.6
135.08067	6.5
135.11656	3.6
137.09581	3.4
139.07538	0.9
139.11136	2.1
143.08534	3.4
145.10098	3.4
147.08046	5.9
147.11690	9.0
149.09579	1.7
149.13266	2.8
151.11116	3.5
155.08569	1.0
157.10149	4.6
159.11723	8.3
161.09650	8.0
161.13223	2.2
162.05489	2.1
163.11156	3.1
163.14761	1.0
165.09129	15.6
165.12770	1.9
169.10072	1.4
171.11635	2.3
173.13205	1.1
174.99236	1.1
175.11148	3.4
175.14835	4.7
176.98944	1.0
177.12769	56.0
179.10661	2.0
183.11711	1.3
187.14743	2.5
189.12724	7.6
189.16368	2.9
193.12204	1.8
197.11719	1.1
199.14790	2.1
202.13644	0.8
204.15033	3.2
205.15898	7.5
207.13766	0.9
209.13245	0.9
211.11194	1.1
211.14890	0.9
217.12219	1.0
217.15901	10.2
217.19470	1.5
225.16519	1.1
235.16940	100.0
236.16753	1.1
243.42894	0.7
253.08278	1.2
253.13934	1.4
253.15843	3.2
253.17958	26.7
253.21802	1.9
254.17532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01871	4.4
55.05268	0.8
55.05512	9.2
57.03436	16.9
57.07073	1.0
60.91226	0.5
65.03939	1.9
67.05505	31.0
69.03422	3.4
69.07069	5.1
69.67171	3.1
70.80941	0.5
71.04995	3.1
73.05270	0.5
73.34968	0.5
79.05494	20.3
81.03420	12.8
81.07055	21.9
83.04984	20.3
83.08624	3.7
84.04489	1.2
85.02904	1.0
85.06529	4.1
85.80721	0.5
86.40831	0.5
91.05484	100.0
93.07042	10.5
95.04971	7.5
95.08605	7.8
97.02917	5.0
97.06525	4.4
98.98469	18.1
99.04450	0.8
100.11244	2.2
103.03944	1.2
103.05505	0.9
105.07034	33.8
107.04958	10.0
107.08593	7.0
108.18189	0.6
109.06539	3.1
109.10150	3.0
111.08093	3.8
113.06046	0.9
115.05474	1.4
116.06167	0.7
117.07029	7.7
119.08588	14.6
121.06529	1.5
121.10141	3.5
123.08101	1.5
123.11720	2.0
128.06235	2.1
129.07014	1.0
131.08588	6.6
133.06497	1.8
133.10135	38.4
135.08049	4.8
135.11740	1.4
137.09642	1.3
143.08545	6.7
146.07257	0.9
147.08069	1.9
147.11708	2.5
149.09612	10.3
149.10764	0.7
151.11183	5.4
153.09117	0.8
154.12283	1.0
157.10135	1.0
159.11610	1.2
161.09625	15.3
161.13266	1.1
171.11685	0.9
171.14969	2.5
175.11111	0.6
175.14825	0.7
177.12773	3.2
179.10669	9.4
183.10136	1.1
188.76570	0.6
189.12808	0.7
197.11725	0.9
199.14880	1.0
205.15892	1.1
217.15866	1.5
235.13365	0.9
235.16939	4.2
244.83543	0.7
253.14389	25.6
253.18262	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	253.18
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
53.03936	0.8
53.94478	0.9
55.01870	1.8
55.05519	4.3
56.96546	1.2
57.03428	1.1
57.07064	2.6
58.06604	1.1
58.89843	0.8
59.06247	1.0
60.99069	0.7
67.05508	15.1
69.03432	67.8
69.07055	4.7
69.91268	4.1
71.04988	2.2
78.04727	0.8
79.05500	7.3
81.03428	1.8
81.07056	16.2
83.04948	1.3
83.08593	3.0
85.06525	1.8
87.13313	0.7
91.05489	11.0
92.90236	0.8
93.07051	7.0
94.65686	1.0
95.04932	1.6
95.08616	10.0
97.02872	1.0
97.06523	4.6
97.10169	1.1
98.98470	100.0
99.08070	1.3
100.98901	1.1
105.07031	10.3
107.08611	7.3
108.60681	0.8
109.06495	2.8
109.10151	8.4
116.99490	1.7
119.08588	9.9
121.06516	1.3
121.10127	5.4
123.08079	3.1
123.11720	2.4
129.06992	1.0
130.07173	0.9
131.08553	3.2
133.06461	0.9
133.10127	15.7
135.11661	1.3
137.09625	2.7
140.01028	1.6
143.08548	2.7
145.10017	0.9
147.11700	4.2
149.09575	1.5
149.13281	2.0
151.11179	5.5
155.08568	1.0
155.14282	1.0
157.10107	1.8
159.11714	1.6
161.13237	1.1
174.99208	2.7
176.98933	2.8
189.16426	2.2
197.11768	1.3
199.14819	3.0
207.17488	2.0
217.15871	2.9
221.11238	1.0
221.32628	1.1
235.14761	1.8
235.16946	19.4
253.13855	7.0
253.16209	5.9
253.19849	4.5
253.27216	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
53.03965	0.7
53.91091	0.6
55.01905	1.4
55.05506	3.4
56.96601	1.9
57.03463	0.7
57.07095	1.5
65.03974	0.8
67.05505	9.3
69.03434	5.9
69.07069	7.9
70.81728	1.5
71.05009	1.5
79.05499	10.5
79.05921	0.8
81.03451	1.6
81.07056	36.1
83.05023	2.5
83.08657	2.2
85.02927	1.4
85.06588	3.0
91.05481	11.6
93.07051	13.8
93.07633	0.9
95.04987	3.4
95.08613	9.2
95.09161	0.7
97.02943	1.3
97.06541	8.4
97.07070	0.7
98.98471	34.1
104.28367	0.6
105.07030	14.6
105.07675	0.9
107.04960	27.1
107.08603	11.0
109.06507	5.2
109.10151	6.2
111.08087	27.8
117.07021	3.1
119.08585	15.7
120.08137	1.9
121.02912	1.8
121.06519	6.4
121.10148	13.2
121.10934	1.0
123.04435	1.2
123.08092	4.7
123.11747	1.7
125.09676	2.0
129.07036	1.0
131.00175	0.8
131.08591	4.3
133.06554	1.2
133.10138	16.6
135.08070	6.4
135.11740	2.4
137.06033	1.0
137.09622	3.1
139.07562	1.1
139.11229	2.9
141.07016	1.1
142.07802	1.6
143.08569	4.9
145.10092	3.2
147.04433	0.8
147.08058	6.2
147.11688	8.0
149.01268	1.3
149.09665	2.5
149.13290	2.1
151.07584	0.9
151.11192	4.6
153.09158	0.7
156.09372	1.0
157.10107	3.8
159.11697	8.5
161.09610	9.2
161.13300	2.4
163.07832	0.7
163.11255	3.0
163.14830	1.2
165.09108	15.5
165.12860	0.8
171.06735	1.3
171.11714	2.3
171.56895	2.2
173.13289	2.3
175.11186	5.5
175.14804	4.0
175.84868	0.8
177.12750	73.1
180.57445	1.5
187.14851	2.3
189.12755	9.3
189.16403	2.9
194.57016	0.6
197.11725	1.4
199.14844	2.9
202.13550	1.0
204.15138	2.6
205.15900	7.9
207.17543	0.8
217.12247	2.5
217.15886	14.9
217.19167	0.8
220.14619	0.9
229.76649	0.7
235.13200	2.9
235.16928	100.0
252.59515	5.4
253.09555	2.8
253.14409	4.0
253.17996	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	252.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80988	0.2
53.03939	0.3
54.88230	0.2
55.05518	8.0
56.96564	0.3
57.07063	0.9
58.06606	9.1
65.03943	0.4
67.05511	10.3
69.07075	11.0
70.04112	0.9
71.08620	0.3
72.08147	0.8
79.05486	0.9
81.07066	11.1
83.08627	3.5
84.08140	0.2
93.07043	0.4
93.68897	0.2
95.08616	10.7
96.09006	0.2
97.10182	1.8
97.24158	0.2
97.69131	0.2
98.09731	0.6
98.98476	14.1
99.98932	0.2
100.52938	0.2
104.36906	0.2
107.08624	0.2
109.09478	0.3
109.10171	4.5
111.11736	0.3
114.12782	0.2
116.99516	0.2
123.11709	1.1
137.13210	0.4
145.96628	0.2
174.99277	0.3
175.99500	0.2
176.98871	0.2
178.04991	0.5
196.06061	3.4
205.98776	0.4
223.39342	0.2
224.09186	1.2
246.47850	0.2
252.12350	2.4
252.26881	100.0
253.27243	0.5
254.25183	0.2
259.31476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.31150	0.5
55.01876	1.0
55.05525	0.9
56.60669	0.5
56.96564	2.0
57.03428	1.7
59.05003	1.3
60.04514	0.6
61.02930	2.5
64.12222	0.6
67.05511	0.7
69.03432	4.9
69.07052	0.6
69.66927	3.5
70.06595	1.7
70.98121	0.8
71.04996	1.0
72.08160	0.8
73.02927	0.9
73.06560	100.0
81.03421	2.2
81.07072	0.7
84.04517	1.6
84.08150	3.1
85.02911	20.9
86.09719	2.0
87.04466	0.7
91.03954	0.7
91.05495	0.6
91.07601	5.4
95.08628	0.7
97.02906	4.1
98.97584	1.2
98.98476	24.6
99.04494	1.0
109.02877	1.7
110.07193	1.2
110.97611	0.7
120.08119	0.9
127.03890	3.3
128.98654	0.6
129.10280	1.9
134.06035	0.7
137.05931	0.5
141.05455	0.5
145.04944	2.8
152.07130	0.9
155.04617	0.8
158.99594	0.6
176.98973	0.8
197.11977	0.6
207.01660	0.6
207.08299	0.6
219.05077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.01867	2.7
55.05508	5.0
57.03446	2.9
57.07070	1.9
59.04995	1.3
65.03944	1.5
67.05225	1.3
67.05515	12.5
69.03437	6.8
69.07064	11.3
69.71590	6.5
71.04986	5.3
72.08133	1.9
77.01601	1.2
79.05503	16.3
79.49650	1.1
80.05833	1.4
81.03401	3.8
81.07069	16.8
83.04971	5.5
83.08600	3.4
84.08129	1.7
85.02914	4.6
85.06538	1.8
91.05485	24.8
92.05827	1.5
93.07048	22.6
95.04967	6.1
95.08611	12.6
97.06532	20.6
98.06875	6.0
98.21535	1.2
98.98473	100.0
99.04504	1.5
103.05500	2.4
105.07037	31.1
107.04958	4.6
107.08604	18.1
109.06516	6.4
109.10187	7.1
111.04435	1.6
111.08070	3.3
115.05466	3.2
117.07015	11.3
119.04950	3.2
119.08591	21.2
121.06504	13.1
121.10164	12.9
123.08070	8.9
123.11692	1.1
125.05992	2.0
125.09702	1.5
128.06258	5.6
129.07025	10.7
130.07732	1.5
131.04959	1.3
131.08571	27.9
133.06477	4.2
133.10161	15.8
133.38391	1.3
135.08086	8.1
135.11707	3.8
137.05981	6.3
137.09628	6.1
138.06335	6.7
139.07538	1.3
141.07030	3.4
142.07791	3.2
143.08575	11.4
144.09319	1.3
145.06447	3.5
145.10129	27.0
147.08092	10.4
147.11708	9.0
149.09604	5.3
151.07494	1.7
151.11299	1.5
155.08554	6.5
155.10704	1.2
156.09291	1.3
157.10141	13.6
159.08041	8.2
159.11691	9.1
161.05972	1.9
161.09584	6.3
161.13246	3.1
163.07555	2.0
163.11205	10.0
169.10121	3.6
171.11731	5.8
173.09599	7.8
173.13246	10.8
174.99214	6.1
175.11179	12.2
175.14833	2.6
177.05467	3.1
177.09100	2.6
177.12857	1.8
181.12167	1.2
182.10931	1.5
185.13264	2.4
187.07564	2.3
187.11189	3.7
187.14830	18.9
189.09161	3.3
189.12767	2.8
190.09511	1.3
191.07002	1.9
191.08673	2.0
191.10687	2.3
191.14333	5.5
193.12244	3.6
197.13329	8.3
203.14291	13.6
205.08653	2.0
205.12201	1.6
205.15906	5.3
215.06993	2.6
215.14326	21.4
221.15387	10.9
223.03903	2.2
233.08124	4.4
233.11711	3.0
233.15375	34.2
234.12077	11.3
251.03386	2.5
251.10837	1.9
251.12712	1.9
251.16478	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	251.1643
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
51.42406	1.4
55.01878	1.9
55.05505	9.9
57.07070	9.3
59.04989	7.0
61.64242	1.8
65.03936	1.6
67.05511	13.4
69.03106	2.2
69.03427	12.5
69.07073	9.0
71.01363	1.9
71.04996	65.6
75.22185	1.5
79.05507	11.2
81.03393	5.0
81.07069	17.9
83.04984	10.5
83.08629	12.3
85.06561	7.7
85.65596	1.6
91.05489	15.3
93.07047	21.0
95.04975	17.0
95.08614	18.6
97.06538	18.4
98.98470	49.5
99.04443	3.0
105.07039	19.2
107.04935	5.1
107.08595	22.9
109.06506	6.2
109.10153	19.7
111.04441	2.5
111.08080	9.7
113.05983	10.4
113.09592	3.0
115.07499	1.5
116.22672	1.7
117.06999	5.9
119.08587	33.6
121.06477	7.3
121.10148	40.8
122.07281	2.9
123.08092	16.6
123.11694	5.7
125.06007	26.7
125.09608	3.3
129.06920	3.4
130.07759	2.6
131.08578	15.0
133.06519	2.3
133.10138	10.8
135.08052	5.5
135.11711	8.2
137.06035	1.7
137.09622	52.1
140.66347	1.6
143.08615	3.2
145.10118	24.0
147.08054	72.3
147.11649	15.2
149.09630	18.0
151.07526	6.7
151.11195	5.8
151.14845	2.6
153.09117	3.7
155.10664	4.7
157.10150	3.9
159.08072	3.6
159.11696	2.6
161.09589	1.7
163.11191	60.7
163.14819	3.4
165.09154	1.9
171.11707	2.6
173.09639	4.1
173.13232	12.2
174.99168	1.6
175.11159	16.8
177.09184	1.7
179.14313	20.5
181.12239	16.2
187.14854	5.9
189.12750	4.7
191.10687	3.0
191.14307	10.9
193.12233	7.4
195.10165	1.6
197.13176	2.9
205.15906	6.0
207.13824	5.8
215.14337	10.3
233.15385	65.8
251.16434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03936	2.4
55.01874	1.1
55.05505	4.4
57.07074	6.7
59.04998	4.9
67.05510	7.2
69.03435	4.5
69.07078	4.5
69.77894	4.8
71.04995	76.3
72.29321	0.7
79.05120	0.9
79.05493	7.9
81.03409	2.7
81.07063	12.4
83.04987	12.3
83.08632	4.5
85.06530	3.5
91.05479	5.8
93.07047	10.1
95.04975	17.2
95.08613	8.9
97.06529	11.4
98.98472	69.4
99.04458	1.8
99.08122	1.1
103.89600	0.8
105.07029	8.7
107.04951	1.7
107.08602	10.5
109.06519	5.5
109.10178	6.3
111.08064	2.3
111.52525	0.7
113.06004	2.2
116.99422	1.1
117.07026	1.9
119.08601	6.7
121.06519	3.7
121.10152	18.8
123.08080	7.2
123.11712	5.0
125.05997	40.2
131.08565	6.1
133.06485	1.1
133.10089	4.1
135.08035	2.5
135.11693	5.0
137.05969	1.9
137.09607	3.0
137.13277	0.9
139.11191	1.4
143.08592	0.9
145.10107	8.3
147.08028	2.7
147.11700	1.8
148.08810	0.9
149.09628	10.8
149.13229	0.7
151.07549	8.7
151.11145	1.9
152.82976	0.7
157.10176	1.5
159.07939	1.3
159.11711	2.5
161.00912	0.7
163.11186	51.4
165.09070	2.3
167.10670	1.6
171.11693	1.1
173.09544	0.7
173.13257	2.6
174.99242	3.3
175.11183	3.0
177.09106	3.6
177.12735	1.5
181.12236	22.8
187.14804	1.7
189.12737	2.8
191.14313	1.8
193.10249	0.9
193.12230	1.7
195.10191	2.8
197.13347	0.8
205.12303	0.8
207.13742	1.6
215.14301	3.3
233.11845	1.2
233.15376	16.7
233.18994	1.5
251.16426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03951	1.5
55.01867	1.1
55.05520	4.3
57.03441	1.1
57.67025	0.6
59.05001	0.8
64.49570	0.7
65.03959	0.8
67.05511	17.0
69.03403	1.2
69.07072	5.2
70.60544	1.6
71.04987	2.1
77.01607	0.7
79.05019	0.7
79.05492	17.0
81.03416	2.5
81.07059	19.8
83.04990	1.8
83.08632	1.8
85.06557	1.0
86.44501	0.6
91.05487	22.8
93.07048	11.5
94.54398	0.6
95.04961	4.5
95.08611	10.8
97.06538	1.8
97.10159	0.8
98.98471	100.0
103.05480	2.0
105.04523	0.7
105.07037	20.3
107.04969	5.1
107.08601	5.5
109.06513	5.8
109.10175	4.2
116.99523	1.9
117.07021	6.7
119.08591	13.4
121.06535	3.0
121.10159	4.1
123.08085	1.2
123.11741	1.5
125.05984	0.9
128.06226	0.7
129.07036	2.3
131.08583	13.1
133.06505	1.6
133.10149	4.3
135.08057	2.2
137.09607	0.8
140.01103	0.9
141.06987	1.1
143.08609	1.3
145.10126	5.2
147.08041	1.4
147.11743	1.2
149.09660	1.7
149.13254	0.9
151.11250	0.7
155.08498	1.4
157.10176	1.3
159.11693	1.5
163.11165	0.7
167.10703	0.6
169.10144	1.6
171.11751	2.2
173.13255	3.3
174.99229	6.1
185.13287	0.8
187.11203	1.0
187.14806	3.0
189.12595	0.8
191.14398	0.9
197.13293	2.4
205.15912	2.1
205.61668	0.6
215.14368	2.4
215.18163	0.7
233.15375	14.8
251.16278	6.6
251.20117	3.0
252.26950	0.8
254.69415	0.7
269.10767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Deodardione
Peak:m/z	Relative Intensity
55.01868	0.5
55.05515	5.8
57.07069	0.7
59.05010	0.8
61.28730	0.3
65.19350	0.3
67.05506	2.5
69.03447	1.4
69.07071	8.6
70.54859	0.7
70.55180	0.5
71.04980	0.8
75.89646	0.3
76.80162	0.3
79.05498	6.1
81.03465	0.3
81.07059	6.1
83.04984	10.4
83.08629	1.0
85.06541	1.0
91.05479	3.1
93.07047	22.2
95.04981	1.6
95.08614	5.9
97.06517	2.0
97.10187	0.7
98.98470	19.2
105.07036	6.7
107.04994	0.7
107.08611	4.1
109.06516	2.9
109.10171	1.8
111.04443	11.3
111.08089	0.6
111.11728	3.7
115.88595	0.4
117.07034	0.8
119.08603	2.5
121.06514	2.0
121.10148	36.5
123.08125	2.3
123.11699	0.8
125.05981	0.9
125.09631	1.4
129.07088	0.4
131.08562	1.6
133.07652	0.4
133.10147	0.9
135.08040	1.4
135.11694	0.6
137.06075	0.3
137.09637	0.8
139.07631	0.4
139.11160	2.2
143.08543	0.5
145.10136	1.6
147.08035	0.5
147.11703	1.0
149.09628	14.5
157.08546	0.4
157.10072	0.6
159.11710	1.0
161.13300	0.5
163.11186	1.0
167.10681	100.0
173.09627	0.7
173.13303	0.7
174.99237	0.9
175.11125	0.8
177.09094	0.6
177.12708	0.5
187.11150	0.6
187.14767	0.9
191.10637	0.7
191.14380	0.4
193.12273	0.5
205.15878	0.6
215.10631	0.7
215.14276	1.3
233.11789	0.9
233.15411	2.0
251.06850	0.6
251.10739	0.6
251.16405	13.0
251.20047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
56.96562	4.4
58.99863	2.7
61.02909	3.7
69.03428	1.6
70.98092	1.1
70.99844	3.7
71.51229	1.2
73.01418	1.5
73.02918	1.8
77.00893	1.0
82.01445	32.3
85.02892	2.3
89.00896	1.5
91.02476	1.2
94.93002	1.6
97.02893	2.0
98.97590	3.4
98.98451	4.6
100.02489	36.2
101.00867	2.5
108.97770	1.3
110.97578	1.5
113.00863	2.0
115.02409	1.8
116.98621	0.9
118.03534	6.8
119.01916	2.2
126.98793	12.6
128.98610	1.8
131.01891	3.5
132.00809	0.9
133.03529	4.1
138.04041	0.9
141.01344	0.8
143.01921	0.8
144.99835	18.4
146.99660	0.9
147.01373	1.4
149.02954	1.4
150.00354	3.6
150.01625	1.3
154.03491	2.0
154.04659	1.5
154.96516	0.8
154.98253	6.5
156.05063	6.3
158.93726	0.8
159.01349	1.4
161.02808	1.3
161.05521	1.6
166.03545	1.7
168.01445	12.4
172.97801	2.0
172.99327	40.6
174.06056	1.2
174.98973	1.0
175.00885	0.9
176.93542	8.1
177.00899	1.5
177.02417	7.9
177.99831	6.8
182.03009	2.7
185.02905	1.0
187.00876	6.7
189.00621	1.2
189.02316	0.9
190.98692	1.6
191.00368	11.1
193.15941	0.9
196.00934	100.0
200.04126	2.1
205.00330	1.0
205.01961	5.8
210.02545	4.5
212.00262	0.8
214.01985	26.9
219.02478	2.7
223.02986	1.9
228.03542	48.6
232.99615	1.2
246.04689	5.0
251.00725	2.0
251.04942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
56.96562	4.4
58.99863	2.7
61.02909	3.7
69.03428	1.6
70.98092	1.1
70.99844	3.7
71.51229	1.2
73.01418	1.5
73.02918	1.8
77.00893	1.0
82.01445	32.3
85.02892	2.3
89.00896	1.5
91.02476	1.2
94.93002	1.6
97.02893	2.0
98.97590	3.4
98.98451	4.6
100.02489	36.2
101.00867	2.5
108.97770	1.3
110.97578	1.5
113.00863	2.0
115.02409	1.8
116.98621	0.9
118.03534	6.8
119.01916	2.2
126.98793	12.6
128.98610	1.8
131.01891	3.5
132.00809	0.9
133.03529	4.1
138.04041	0.9
141.01344	0.8
143.01921	0.8
144.99835	18.4
146.99660	0.9
147.01373	1.4
149.02954	1.4
150.00354	3.6
150.01625	1.3
154.03491	2.0
154.04659	1.5
154.96516	0.8
154.98253	6.5
156.05063	6.3
158.93726	0.8
159.01349	1.4
161.02808	1.3
161.05521	1.6
166.03545	1.7
168.01445	12.4
172.97801	2.0
172.99327	40.6
174.06056	1.2
174.98973	1.0
175.00885	0.9
176.93542	8.1
177.00899	1.5
177.02417	7.9
177.99831	6.8
182.03009	2.7
185.02905	1.0
187.00876	6.7
189.00621	1.2
189.02316	0.9
190.98692	1.6
191.00368	11.1
193.15941	0.9
196.00934	100.0
200.04126	2.1
205.00330	1.0
205.01961	5.8
210.02545	4.5
212.00262	0.8
214.01985	26.9
219.02478	2.7
223.02986	1.9
228.03542	48.6
232.99615	1.2
246.04689	5.0
251.00725	2.0
251.04942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2215
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03953	3.3
55.05515	10.3
57.07068	6.2
59.04996	6.4
61.37305	2.0
67.05508	97.0
69.03401	1.9
69.07071	12.1
69.30093	6.0
69.30505	11.4
71.04996	2.3
71.08611	2.6
72.19302	1.7
79.05496	31.3
81.07063	100.0
83.08617	8.2
85.06546	4.2
91.05497	19.7
93.07054	37.1
93.84521	1.9
95.05003	3.8
95.08611	76.7
97.06547	5.0
97.10177	3.4
98.35249	2.1
99.08104	3.4
105.04504	2.7
105.07033	12.2
107.08607	15.2
109.10167	18.3
111.08087	3.6
115.05405	3.0
118.88944	2.1
119.08607	11.9
121.10155	10.7
123.11716	10.7
133.10136	16.5
135.11739	9.0
137.13261	14.0
145.10123	2.9
147.11687	8.8
149.13303	11.8
151.14827	3.3
157.10112	1.9
159.11734	2.4
161.13257	14.0
163.14847	2.7
175.14821	9.1
189.09128	5.3
231.17465	3.0
231.21092	15.1
249.16687	2.1
249.18631	9.5
249.22150	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41179	0.6
55.01850	0.8
55.05507	1.1
55.83401	0.7
56.05031	1.4
56.96569	1.8
58.99580	3.1
60.04529	16.5
61.02916	1.3
68.05038	0.8
69.03430	1.0
69.07070	4.7
69.82867	4.3
70.06596	3.8
71.08634	9.4
72.04516	1.8
72.08160	2.7
73.02930	0.9
73.06541	2.0
74.06091	1.7
79.05496	1.3
82.02946	1.9
82.06594	0.9
84.04502	4.2
84.08155	1.7
84.58395	0.8
85.02905	1.5
85.49913	0.7
86.06072	1.0
86.09693	1.3
86.99052	2.8
88.04004	4.6
88.07634	3.1
88.11274	3.9
97.02930	1.4
97.06529	3.4
97.42882	0.9
98.06084	1.0
98.97561	1.2
98.97822	1.0
98.98477	10.8
100.03996	4.2
100.11262	1.9
102.05546	12.5
103.03938	1.8
105.00103	1.6
110.07173	0.8
111.17376	0.7
112.02195	11.5
112.03949	1.2
114.05541	1.3
115.08629	0.8
116.07092	1.9
116.98638	1.1
119.03545	1.7
120.06561	8.8
121.06507	0.9
127.12207	0.9
128.03448	3.1
130.12283	10.4
132.08041	0.8
136.06190	100.0
137.04575	1.6
140.01646	8.9
147.06392	0.8
154.12292	1.8
158.02736	5.8
158.11740	2.8
160.13351	1.7
162.07661	1.7
172.13351	2.9
174.07681	1.4
180.08714	2.9
186.02211	37.4
190.14394	32.9
204.03285	12.4
206.11732	4.5
226.96732	1.0
229.07271	1.5
232.02940	1.1
232.15434	3.9
238.07729	1.1
250.03809	6.2
250.13034	89.1
250.16528	84.1
250.21745	1.5
263.88080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.60499	0.3
53.03939	0.4
55.01861	0.6
55.05507	0.8
57.03424	0.7
57.07062	0.3
58.99591	0.4
59.04998	0.3
63.31584	0.3
67.05501	0.8
69.03431	1.9
69.07069	2.6
69.67553	1.8
71.04977	0.7
76.02212	1.2
77.03928	0.3
79.05475	1.3
81.03410	0.8
81.07045	0.9
83.08614	0.6
85.02903	1.5
85.06551	0.4
85.10171	1.2
87.00814	0.6
91.05482	5.5
93.07040	1.3
95.04965	1.1
95.08603	0.4
97.02898	1.5
97.06520	1.7
98.97537	0.4
99.04436	0.4
103.05466	1.0
105.00076	0.8
105.07039	3.2
106.07359	0.4
107.04947	1.7
107.08580	0.5
109.02869	0.3
109.06507	0.6
109.10122	0.4
111.08067	0.6
115.05459	5.2
116.06219	2.3
117.07029	4.0
118.35284	0.3
119.04932	0.6
119.08562	1.5
120.08923	0.4
121.06496	0.6
121.10144	0.4
122.02731	5.0
123.04438	0.5
127.03883	0.9
128.06218	7.1
129.07011	16.0
130.04039	0.3
130.07794	0.5
131.04889	1.6
131.08574	15.4
132.05711	0.9
133.06496	2.5
133.10143	1.5
137.05989	0.5
137.09705	0.3
139.05392	0.4
141.06995	7.0
142.07785	3.5
143.04933	0.6
143.08572	3.0
144.05704	7.5
145.06476	4.8
145.10117	0.5
146.03650	0.3
146.07251	3.1
147.04407	1.0
147.08061	0.8
147.11615	0.4
148.11975	0.8
151.07512	1.7
152.06189	0.6
153.06976	2.0
155.04869	0.6
155.06003	1.8
156.05704	1.3
157.06493	8.3
157.10098	0.6
158.07275	1.7
158.99617	0.3
159.04411	0.8
159.08057	21.0
160.05138	0.9
161.05972	3.3
161.09607	6.7
163.03937	1.6
167.04904	0.6
167.07007	0.8
169.06429	1.2
169.07693	2.4
170.07274	7.0
171.04427	1.4
171.08049	5.6
171.11641	0.4
172.05186	2.8
173.05971	3.7
174.03059	0.4
174.06778	2.4
175.07559	2.7
175.11102	0.4
177.09207	0.4
178.06242	0.9
184.05161	0.5
185.06018	0.8
185.09616	0.3
186.06693	0.4
187.07547	14.7
188.08281	1.2
189.05501	3.3
189.07339	0.6
189.09103	8.8
190.06261	1.1
191.07051	1.1
192.07729	0.4
193.08528	0.9
198.06725	1.3
199.07526	2.3
200.08377	0.5
201.05461	1.4
203.07042	4.4
203.10550	0.6
203.14362	0.5
204.07817	11.6
205.08580	3.7
206.09416	0.8
207.06615	0.4
213.09132	0.5
216.07780	3.0
217.05020	0.5
217.08482	0.8
217.12798	0.4
218.09340	1.1
219.10127	1.8
221.08115	1.0
221.11714	2.7
231.06596	0.5
231.10149	5.8
231.13727	0.6
234.08836	1.0
249.11214	100.0
250.11511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1852
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.77217	0.9
51.02377	1.0
53.03944	5.2
55.01871	1.8
55.05511	17.8
57.07074	3.0
59.05005	1.6
63.43104	1.1
65.03934	2.2
67.05507	31.9
69.07070	21.7
69.93468	2.0
69.93861	2.8
71.04990	4.1
73.06550	1.2
77.03933	2.7
79.05495	89.8
81.06594	2.1
81.07057	36.8
83.04964	1.6
83.08617	8.7
85.02918	1.1
85.06544	2.6
91.05482	37.1
91.46947	1.0
93.07047	100.0
95.04972	6.5
95.08613	25.2
95.09187	0.6
97.06536	2.9
97.10182	1.8
98.20801	0.9
101.06007	2.6
104.42825	1.0
105.04504	2.6
105.07033	27.0
105.07703	2.0
107.08599	47.4
109.06522	2.1
109.10164	13.5
109.10861	1.7
111.08064	2.8
112.17821	0.9
116.90327	1.0
117.06995	5.5
119.08577	20.4
121.10149	55.8
123.08051	4.0
123.11703	3.5
129.07004	3.7
131.08578	5.6
133.06505	1.3
133.10136	29.2
135.08067	1.5
135.11696	43.5
135.12714	2.3
143.08580	3.3
145.10129	6.3
147.08051	2.7
147.11693	26.4
149.09604	4.1
149.13272	8.6
157.10150	4.2
159.11699	3.1
161.09685	5.3
161.13266	3.9
163.11151	1.2
165.09116	1.9
165.12781	1.0
167.10670	2.9
171.11697	9.0
175.11209	3.7
179.10629	2.3
185.13292	2.4
187.14822	3.3
189.09138	1.4
189.12770	3.9
189.16391	10.4
193.12250	4.1
203.14291	6.2
203.17981	3.0
207.13873	5.3
207.15512	0.9
213.16393	10.3
231.17429	9.8
249.18507	96.5
250.19051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1852
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.02366	1.8
53.03939	5.5
55.01855	3.2
55.05515	29.5
56.05943	1.1
56.96563	1.3
57.03430	1.9
57.07063	2.3
59.05000	2.9
65.03936	2.2
67.05510	28.7
69.03416	2.8
69.06728	2.0
69.07069	20.3
71.04983	5.3
71.08629	1.1
77.29053	1.2
79.05498	81.1
81.03431	2.1
81.07062	36.8
83.04971	3.4
83.08627	11.2
85.06541	5.1
91.05486	40.4
93.07049	100.0
95.04991	9.1
95.08611	35.5
97.06525	3.7
97.10157	3.7
99.04530	1.4
101.06039	1.2
105.07030	30.0
107.08601	56.5
109.06517	15.8
109.10162	19.0
111.04412	1.3
111.08085	3.7
114.35027	1.2
117.07026	5.0
119.06091	1.8
119.07809	2.2
119.08592	25.9
121.06507	2.0
121.10152	57.9
123.08084	4.0
123.11698	4.2
125.06017	1.4
127.07526	2.0
129.06989	5.4
131.08575	6.8
133.10138	29.0
135.08052	6.8
135.11703	34.9
137.05978	2.8
137.09616	4.0
142.07736	1.2
143.08548	5.1
145.10085	8.5
147.08037	3.3
147.11682	19.6
149.09618	6.1
149.13289	8.0
153.09068	2.2
153.12804	1.5
157.10184	6.8
161.09621	4.1
161.13245	2.1
163.11198	2.0
165.09128	1.5
165.12785	2.1
167.10605	2.3
171.11690	7.4
173.13261	3.8
174.06703	2.9
175.11174	5.9
175.14755	1.5
179.10699	2.0
185.13342	3.7
187.14833	3.0
189.09082	7.1
189.12743	3.7
189.16420	8.5
193.12257	4.9
201.09129	1.8
203.10652	2.0
203.14314	4.1
203.17984	3.0
207.13829	5.2
213.16403	10.1
231.17432	11.0
249.09096	1.9
249.11206	2.2
249.18521	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01871	2.3
55.05507	5.7
56.05044	13.5
56.96567	36.4
57.03434	5.2
57.07085	2.4
58.06585	2.0
58.96151	2.0
58.99591	1.8
59.04994	7.0
61.01146	4.2
61.02931	5.5
65.03942	2.1
67.05502	3.4
68.05058	2.2
69.03430	15.3
69.07064	5.4
70.06589	8.2
70.46535	6.5
70.98127	15.4
71.01369	3.6
71.04984	2.7
72.08162	17.0
72.97742	3.6
73.02921	9.0
73.06556	6.7
74.04947	1.9
74.06081	7.1
74.97612	3.4
79.05519	2.4
81.03412	6.8
81.07072	5.7
83.04972	3.8
83.08627	2.6
84.04509	13.8
84.08145	12.8
84.96042	4.6
85.02918	18.4
85.06544	2.8
86.09711	15.1
87.04471	5.3
88.04000	3.3
88.99171	6.3
89.00793	4.1
91.00523	4.7
91.05490	14.8
97.00509	2.7
97.02891	18.7
97.06528	2.5
98.01308	3.0
98.97587	42.4
99.04475	4.1
99.08115	4.0
101.00887	5.3
101.02394	6.2
101.09635	2.3
102.05531	4.2
103.02354	2.4
103.03918	2.5
104.05329	9.8
105.03403	2.1
105.07015	2.9
106.04937	2.4
107.08623	2.0
109.02891	4.2
109.06535	3.0
110.01292	2.9
110.03118	2.8
110.07158	14.0
110.97581	8.7
112.02206	2.8
112.99146	2.7
115.05450	3.3
116.07119	3.9
116.98608	17.6
117.07011	3.4
119.01865	8.8
119.03591	2.5
119.04939	14.7
119.08601	3.4
120.08109	5.9
122.01218	2.3
124.38697	2.2
125.06114	1.9
126.00777	2.2
127.03926	6.8
128.02328	4.8
128.98633	17.8
129.10255	3.4
131.00169	2.5
132.02573	2.5
132.95885	3.1
133.01553	1.9
133.06462	2.0
134.99680	4.6
135.04434	7.5
136.06235	6.6
136.07558	1.8
137.05919	2.0
141.01248	3.5
142.25987	2.0
143.00218	3.4
143.04948	3.9
145.03197	2.0
145.04991	2.8
146.00359	2.1
146.04155	10.2
146.99667	20.2
147.01241	4.3
147.03270	13.8
147.04425	36.5
149.00162	2.8
149.01181	2.3
150.01711	1.9
150.05525	6.0
154.02020	2.8
155.01022	8.6
155.04665	100.0
155.54884	3.0
156.07657	10.0
158.99680	14.1
159.04463	3.1
161.01244	4.1
161.05981	5.5
163.03970	3.9
164.01553	2.9
164.05203	17.4
165.00711	14.1
165.04352	7.4
166.55463	3.5
167.01263	2.8
170.99710	2.6
171.01459	2.4
171.04486	3.3
174.06734	5.1
174.99257	3.2
175.02699	2.9
175.04427	2.5
175.06131	2.9
176.03467	2.6
177.00728	11.8
178.05037	2.2
183.11362	3.3
186.02231	5.6
189.00732	4.5
189.02448	13.8
189.04106	4.4
189.05600	3.9
189.07809	3.8
189.09187	13.2
195.01952	2.6
201.00693	3.3
201.04297	2.8
201.09200	3.7
201.12451	2.0
202.03072	2.9
203.02205	2.4
203.07140	2.8
203.10652	3.9
205.00249	5.5
206.99965	2.7
207.01781	3.6
216.06549	4.7
217.03593	4.0
219.01793	10.6
223.01239	4.9
225.01532	2.3
226.07817	9.3
227.02222	3.1
231.03487	5.1
231.06920	9.7
231.10088	2.2
234.13501	5.6
237.02924	10.3
240.03911	9.5
240.07607	7.1
245.03227	3.3
249.04631	3.3
249.07887	11.0
249.12697	3.2
249.14952	5.5
249.19466	2.2
250.12987	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.7
55.01876	12.8
55.05510	7.0
57.03454	13.0
59.04997	3.5
61.02922	6.2
67.05511	11.4
68.36726	2.3
68.99789	4.3
69.03435	100.0
69.07072	7.6
71.05000	14.0
71.52178	2.6
73.02911	6.6
79.05501	13.3
79.24818	2.1
81.03425	60.7
81.07076	15.4
83.04964	2.5
85.02912	90.3
87.00836	41.3
91.05486	10.1
93.07067	14.3
95.04961	5.2
95.08624	15.7
97.02899	48.4
97.06571	2.7
99.04466	37.6
105.01877	10.2
105.03414	2.9
105.07010	13.7
107.04990	3.8
107.08611	11.4
107.12894	3.2
109.02882	44.1
109.10150	7.9
115.05433	3.8
117.07030	6.4
119.08577	10.1
121.06526	4.1
121.10159	8.7
123.08001	3.1
127.03933	73.4
128.06261	2.7
129.01816	2.8
129.07033	7.0
131.08563	5.1
133.06480	6.0
133.10133	8.6
135.11684	7.5
137.09697	2.6
141.07051	2.8
142.07690	2.9
143.08592	3.7
145.04964	5.6
145.06520	3.3
145.10178	5.0
147.08058	5.0
147.11687	5.3
149.13275	3.7
151.07588	2.7
157.06490	3.7
158.07336	3.6
159.08090	9.2
161.05872	3.7
161.09625	4.5
161.13260	4.9
171.11705	4.7
174.06818	3.9
175.07547	6.6
187.07605	4.2
189.09108	17.8
201.09192	5.8
203.07043	3.3
203.10716	7.7
203.14326	3.1
204.07762	2.8
213.12787	2.6
219.10225	3.5
231.05038	7.2
231.10146	5.9
231.13847	7.5
231.17381	2.7
249.05586	2.9
249.08989	6.6
249.11188	25.8
249.14922	16.2
249.18463	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	249.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24746	0.8
52.15469	0.9
55.01866	2.2
55.05521	5.5
56.05031	2.9
56.96569	100.0
57.03447	7.4
57.07071	4.1
58.06597	1.2
59.04997	1.8
60.04531	1.1
60.95853	4.0
61.02931	9.2
65.03932	1.6
67.05509	5.4
69.03433	11.9
69.07056	1.7
69.59547	5.4
70.05074	0.8
70.06596	4.5
70.98122	8.3
71.01357	1.4
71.04992	2.0
71.95257	2.8
72.08162	4.2
72.96038	1.6
73.02924	8.8
73.06567	5.2
74.06076	2.4
74.97622	9.9
79.05481	2.5
81.03410	4.2
81.07050	3.9
83.04996	1.5
84.04517	2.7
84.08147	6.0
84.96041	7.1
85.02908	15.6
85.06551	2.7
86.09702	2.7
86.97601	4.4
87.04463	4.3
88.04007	0.9
88.99175	7.2
90.01575	1.0
91.03940	1.2
91.05487	7.2
92.03123	1.1
95.00771	0.9
95.01330	3.0
95.04980	1.9
96.01564	1.0
97.02902	14.0
97.06563	1.4
97.96815	1.1
97.99192	1.2
98.03215	1.4
98.06061	1.5
98.97593	88.8
99.04467	2.3
99.08065	4.1
99.97923	1.3
100.99154	9.5
101.00842	1.6
101.02394	1.2
102.03331	1.0
102.05547	3.1
102.96902	1.6
103.00638	1.5
105.03388	1.3
105.07029	1.4
106.67826	0.9
107.00162	1.8
109.02900	2.3
109.06569	1.0
110.01276	4.0
110.03116	1.4
110.07171	1.7
110.97585	14.0
112.02890	0.9
112.07636	2.2
112.99130	6.9
113.02362	1.2
114.97052	2.5
115.00718	0.9
115.03961	2.4
116.00158	0.8
116.98630	36.3
117.01959	1.2
118.01033	0.9
118.02854	1.0
119.00188	10.0
119.01835	5.8
119.04936	7.8
120.08086	2.5
120.97984	0.9
121.01690	1.2
121.06515	1.0
123.18061	0.8
124.99113	4.2
125.01780	1.4
126.97018	1.6
127.00678	1.5
127.03930	4.6
128.02336	4.5
128.97693	1.4
128.98613	17.3
129.02240	8.7
129.10239	1.8
130.04997	0.8
130.08644	3.2
130.93246	0.9
131.00188	7.6
131.01828	1.3
132.00735	0.9
132.95872	1.3
132.98114	7.3
133.01617	1.5
133.03545	1.1
134.99683	11.5
135.04440	1.7
135.34689	0.8
136.06177	2.8
136.07631	0.9
137.01155	1.5
137.05989	2.1
139.01558	1.3
140.98630	1.9
141.02196	1.0
142.01755	0.9
143.00148	8.7
143.01863	1.1
144.98073	4.3
145.01704	6.7
145.03372	1.0
145.05019	1.5
146.04086	4.6
146.99652	16.3
147.01404	1.4
147.03270	22.2
147.04424	23.5
148.04785	0.8
148.06168	1.3
149.01239	7.6
150.05464	1.0
150.97064	1.2
150.99150	20.2
152.04152	3.2
152.54312	1.0
153.03075	1.5
154.03835	1.8
155.04665	45.5
155.54813	2.3
156.03383	4.8
156.98094	1.9
157.01680	1.3
157.03493	1.3
158.01202	0.9
158.05980	1.0
158.99678	28.2
159.01057	1.6
159.03276	2.1
161.01234	7.3
161.02934	2.9
161.04678	10.2
161.54823	4.8
162.03610	1.2
162.99112	3.3
163.02782	12.3
163.03966	2.0
164.05190	8.4
164.55327	1.3
165.00725	9.3
165.04344	6.4
166.55484	3.1
167.02313	1.2
168.01782	2.2
168.03484	1.8
168.05438	2.2
169.00241	7.0
169.04524	1.0
170.05135	1.3
170.99657	3.6
171.01172	0.9
172.97589	2.7
173.01260	2.2
173.02931	0.8
174.00652	1.1
174.04457	1.8
174.06772	1.9
174.99193	6.2
175.02724	1.9
175.04509	1.2
175.07593	1.0
176.03415	1.1
176.99132	1.6
177.00742	23.3
177.02243	1.5
177.04189	3.1
177.05838	1.8
179.02209	1.9
181.03802	2.0
182.03311	2.1
182.05135	0.9
182.56541	0.9
182.99600	1.6
184.97595	1.7
185.01236	1.6
185.02994	0.9
186.02254	2.4
186.04515	5.2
186.99155	1.4
187.02744	2.8
187.04446	1.7
189.00717	19.8
189.02379	0.9
189.04282	6.9
189.09126	3.1
190.10896	2.1
190.98640	4.4
191.02283	3.3
191.03882	3.6
191.05780	2.3
193.00154	3.8
195.01723	2.1
197.01276	1.0
198.02823	1.3
200.02397	1.3
200.04298	1.0
201.00793	2.3
201.04260	1.9
201.09178	2.1
202.04913	1.1
202.98610	2.4
203.00453	1.2
203.02246	3.7
203.04015	1.7
203.10698	1.1
204.03117	1.1
204.05450	3.1
204.08267	1.0
205.00221	3.0
205.03806	3.8
205.05582	1.2
206.98019	1.3
207.01807	15.8
207.05397	20.8
208.04999	1.5
208.99678	2.8
209.03355	1.4
210.03012	1.1
217.00226	2.8
217.05461	1.8
219.01711	10.2
219.05287	2.7
220.97148	0.9
220.99644	1.3
221.03317	3.2
223.01242	1.7
223.04892	1.2
225.02849	3.2
225.06354	1.9
226.00822	1.7
226.03722	1.6
226.07819	1.1
228.05754	5.8
228.55940	1.4
230.03392	1.0
231.01805	2.8
231.07385	1.4
232.99962	1.1
234.13547	2.4
235.01187	1.2
237.02846	10.9
239.02245	2.4
240.05620	2.2
240.07710	1.9
248.99135	1.8
249.02876	14.9
249.06412	12.1
249.11205	1.5
251.04356	1.5
255.03851	1.4
267.00180	1.2
267.03906	3.2
269.05191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.4
55.01870	12.2
55.05510	5.1
56.96561	3.5
57.03440	12.7
57.07067	2.9
59.04998	3.0
61.02920	5.1
67.05478	7.3
68.99776	6.2
69.03436	94.0
69.07069	4.4
71.05004	13.8
71.52367	3.5
72.48819	2.0
73.02921	5.6
79.05484	6.9
81.03423	45.5
81.07059	11.1
83.04986	3.2
85.02910	100.0
87.00833	41.3
91.05492	13.9
93.07027	13.0
95.04951	8.0
95.08611	5.0
97.02296	3.8
97.02900	51.4
97.06532	3.5
98.97596	14.9
99.04463	31.3
101.02383	2.7
105.01868	15.0
105.07025	10.1
107.04974	3.6
107.08581	8.6
109.02892	32.2
109.06538	4.0
109.10146	6.5
111.04493	3.2
115.05431	3.6
116.06264	3.0
116.98621	3.1
117.07035	5.0
119.08582	11.5
121.06539	3.4
121.10123	7.3
127.03931	68.5
128.06219	7.0
129.01813	2.7
129.07019	13.8
131.08543	13.2
133.06453	4.4
133.10123	9.9
135.10013	5.3
135.11685	3.0
139.03867	2.2
141.06996	4.3
142.07777	2.8
143.08511	4.8
144.05702	5.2
145.04951	12.8
145.06406	3.6
145.10135	5.8
146.07242	2.8
147.08072	10.9
147.11670	4.9
152.68437	2.2
157.06523	5.7
157.10088	4.2
158.07275	3.7
158.99641	3.0
159.08054	15.6
161.06013	4.2
161.09637	7.9
161.13254	4.5
164.68649	2.4
167.07001	2.7
170.07214	3.8
171.04292	2.6
171.08083	3.6
172.05150	2.6
173.05946	4.0
174.06779	7.1
175.07559	5.6
175.14771	4.3
177.00671	4.1
177.12759	2.1
177.70822	2.4
185.13344	3.3
187.07521	11.1
188.08383	2.9
189.03922	2.2
189.05469	3.3
189.09087	11.5
193.08540	3.0
201.09155	2.7
203.07057	3.9
203.10555	2.8
203.14404	2.9
204.07813	6.1
219.10114	3.4
231.04959	8.7
231.10107	6.1
231.13759	5.3
249.08803	4.0
249.11229	71.3
249.14764	7.1
249.16779	9.2
249.18652	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	249.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.01863	11.3
55.05504	11.6
56.96577	2.7
57.03443	18.1
59.04993	6.5
61.02906	5.8
67.05497	20.2
68.24841	3.0
68.99802	3.4
69.03437	87.7
69.07082	14.4
69.27475	23.0
71.04994	15.5
73.02922	8.0
74.40533	2.7
79.05511	30.5
81.03424	53.7
81.07068	32.2
83.08617	6.0
85.02914	100.0
85.06509	4.2
87.00840	40.2
87.04468	3.2
91.05496	21.5
93.07050	33.3
95.04977	14.0
95.08618	22.4
97.02905	51.4
99.04463	29.1
101.02385	4.6
105.01876	21.3
105.07031	18.2
106.11867	3.5
106.56641	3.6
107.04944	5.6
107.08607	27.0
109.02883	36.1
109.06516	3.0
109.10152	12.1
111.08099	4.2
117.07008	5.2
119.08572	16.5
121.06494	6.9
121.10168	15.9
123.08055	5.9
127.03939	61.0
131.08577	3.9
133.10185	19.5
133.11047	4.8
133.48781	3.1
135.11693	18.0
137.05991	3.6
137.09686	4.5
143.08528	4.9
145.04980	10.7
145.10155	6.6
147.02921	3.7
147.08063	4.0
147.11682	12.9
149.13271	7.2
157.10170	7.1
161.09630	6.3
163.03946	5.9
167.10493	3.2
175.11171	6.0
178.15916	4.5
179.16182	5.2
181.12215	4.0
189.09085	13.3
189.12758	3.7
189.16379	3.9
191.10666	3.1
193.12271	4.8
203.18050	6.1
207.13753	3.4
213.16461	5.3
225.31445	2.8
231.04988	11.7
231.10188	16.6
231.13861	7.5
231.17378	9.4
249.14729	14.6
249.18555	52.2
249.24203	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
55.01878	9.5
55.05502	3.3
57.03434	14.3
59.04984	2.7
61.02929	5.7
65.03920	1.7
67.05511	5.6
68.99791	7.4
69.03431	90.3
69.07050	1.6
69.45414	8.9
70.06585	1.7
71.01343	1.9
71.04984	13.6
72.08162	2.0
73.02927	8.8
79.05481	4.5
81.03417	55.9
81.07043	5.4
83.01341	2.6
83.04988	1.2
83.08625	1.4
85.02907	100.0
85.05244	1.1
86.09705	1.5
87.00314	2.2
87.00829	38.6
87.04441	2.4
91.05478	14.1
93.07041	6.4
95.04980	6.7
95.08613	2.9
97.02895	46.9
97.03529	2.3
97.06533	6.5
98.97562	2.2
99.04456	33.2
101.02372	2.3
103.05476	2.0
105.01871	14.8
105.07028	10.7
106.07359	2.7
107.04948	3.6
107.08591	4.5
109.02882	35.7
109.06509	2.7
109.10110	1.9
110.07159	1.5
115.03922	1.5
115.05468	5.9
116.06254	1.7
117.07003	4.8
119.04926	1.8
119.08586	7.0
120.08116	1.8
120.08918	3.4
121.06523	2.9
121.10134	2.6
123.08076	2.0
127.03921	82.7
128.06212	7.9
129.01811	2.3
129.07016	16.6
131.04901	2.1
131.08580	15.1
132.05719	1.8
133.06473	3.4
133.10098	3.4
135.04369	1.5
135.08015	3.5
135.11732	1.2
137.05946	2.5
141.06979	6.6
142.07764	3.8
143.04938	1.7
143.08514	5.0
144.05710	7.2
145.04979	9.9
145.06369	5.4
145.10095	3.6
146.07249	1.9
147.02887	1.4
147.04370	2.4
147.08032	2.6
147.11684	4.5
148.12021	4.4
149.09616	2.1
151.06126	2.3
151.07498	1.5
153.06956	1.8
155.06009	2.2
156.05611	1.9
157.06477	7.8
157.10059	2.7
158.07295	1.9
159.02855	4.2
159.04314	1.9
159.08057	20.0
159.11734	2.3
160.05167	2.4
161.05931	4.7
161.09630	8.8
163.03874	4.0
165.09193	1.1
169.07608	2.9
170.07262	4.9
171.04393	1.6
171.08005	5.8
171.11671	1.6
172.05113	1.5
173.06000	3.1
173.09760	1.1
174.06726	3.6
175.07495	3.8
175.11011	1.2
177.05386	1.1
177.09044	1.3
178.06244	1.6
185.05969	2.3
185.13332	1.6
187.07536	13.6
187.11189	1.3
188.08336	2.3
189.05504	2.9
189.09119	15.0
189.12695	1.8
193.08592	1.7
198.06772	1.4
199.07564	2.5
201.05411	1.4
201.09120	1.5
203.06964	6.0
203.08774	1.2
203.10660	2.0
203.14294	1.3
204.07845	10.2
205.08598	5.8
208.14204	1.7
213.03900	2.6
216.07794	4.0
217.04916	1.8
219.10074	2.7
221.07968	1.4
221.11725	2.9
231.04895	10.2
231.10214	5.7
231.13786	3.4
233.11728	2.2
249.11208	89.9
249.14745	5.7
249.16745	8.1
253.31778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.151
Annotation	Peramine
Peak:m/z	Relative Intensity
55.05522	0.4
69.30344	1.7
69.30753	0.5
71.04996	41.6
79.05498	1.5
81.07059	5.3
98.21522	0.5
113.09649	10.5
119.03564	0.3
121.05117	0.4
135.06702	0.5
136.06184	7.5
146.04622	3.6
147.97487	0.3
148.06238	1.4
150.07767	0.4
151.07660	0.4
152.07916	0.4
162.07706	0.8
172.08701	0.3
173.06996	0.7
174.07748	1.8
178.07263	0.5
186.07767	0.5
187.08545	0.4
199.09776	0.8
216.12453	74.1
217.12796	0.4
223.70313	0.3
248.15077	100.0
249.15201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1648
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
69.86934	0.4
69.87339	0.6
79.05486	0.2
81.07056	0.3
84.08146	0.2
91.05482	0.2
98.20847	0.2
98.97555	0.2
103.92942	0.2
105.07030	0.3
109.06429	0.2
117.05732	0.2
118.06546	4.3
119.07335	0.3
119.08556	0.2
130.06532	0.2
132.08107	2.3
133.08867	0.4
134.09637	0.7
134.10544	0.2
144.08076	0.4
146.09654	2.0
147.10425	0.2
158.09601	0.2
160.11250	0.6
172.11243	0.3
174.12799	1.0
176.14352	11.4
190.08641	10.9
191.09241	0.2
202.15948	1.8
203.16678	1.0
204.10205	5.4
205.11020	1.6
206.11813	0.3
214.44203	0.2
216.24220	0.1
218.11768	4.7
218.13887	0.3
232.13361	0.4
237.10681	0.2
248.16469	100.0
249.11256	0.2
249.16867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8969
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42417	0.6
70.15330	1.2
70.15750	1.9
81.80814	0.6
83.68791	0.5
93.95729	0.6
94.93019	100.0
98.20865	1.0
99.96177	0.6
136.93968	1.5
144.23929	0.6
150.91959	3.1
152.38446	0.6
161.05560	0.6
206.88608	29.7
228.58487	0.7
228.83786	0.6
248.89670	30.2
249.03760	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69778	2.9
64.50328	3.1
65.84138	3.9
67.12363	3.3
70.32310	12.6
70.32662	4.2
71.21383	3.7
94.93020	100.0
96.91262	3.2
104.10744	4.8
133.03493	8.2
138.68808	3.9
159.05090	3.9
168.24571	3.8
169.81488	3.3
187.04530	6.8
203.02353	3.9
206.88635	25.0
231.03616	6.5
248.89641	29.3
249.03743	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
55.01878	9.5
55.05502	3.3
57.03434	14.3
59.04984	2.7
61.02929	5.7
65.03920	1.7
67.05511	5.6
68.99791	7.4
69.03431	90.3
69.07050	1.6
69.45414	8.9
70.06585	1.7
71.01343	1.9
71.04984	13.6
72.08162	2.0
73.02927	8.8
79.05481	4.5
81.03417	55.9
81.07043	5.4
83.01341	2.6
83.04988	1.2
83.08625	1.4
85.02907	100.0
85.05244	1.1
86.09705	1.5
87.00314	2.2
87.00829	38.6
87.04441	2.4
91.05478	14.1
93.07041	6.4
95.04980	6.7
95.08613	2.9
97.02895	46.9
97.03529	2.3
97.06533	6.5
98.97562	2.2
99.04456	33.2
101.02372	2.3
103.05476	2.0
105.01871	14.8
105.07028	10.7
106.07359	2.7
107.04948	3.6
107.08591	4.5
109.02882	35.7
109.06509	2.7
109.10110	1.9
110.07159	1.5
115.03922	1.5
115.05468	5.9
116.06254	1.7
117.07003	4.8
119.04926	1.8
119.08586	7.0
120.08116	1.8
120.08918	3.4
121.06523	2.9
121.10134	2.6
123.08076	2.0
127.03921	82.7
128.06212	7.9
129.01811	2.3
129.07016	16.6
131.04901	2.1
131.08580	15.1
132.05719	1.8
133.06473	3.4
133.10098	3.4
135.04369	1.5
135.08015	3.5
135.11732	1.2
137.05946	2.5
141.06979	6.6
142.07764	3.8
143.04938	1.7
143.08514	5.0
144.05710	7.2
145.04979	9.9
145.06369	5.4
145.10095	3.6
146.07249	1.9
147.02887	1.4
147.04370	2.4
147.08032	2.6
147.11684	4.5
148.12021	4.4
149.09616	2.1
151.06126	2.3
151.07498	1.5
153.06956	1.8
155.06009	2.2
156.05611	1.9
157.06477	7.8
157.10059	2.7
158.07295	1.9
159.02855	4.2
159.04314	1.9
159.08057	20.0
159.11734	2.3
160.05167	2.4
161.05931	4.7
161.09630	8.8
163.03874	4.0
165.09193	1.1
169.07608	2.9
170.07262	4.9
171.04393	1.6
171.08005	5.8
171.11671	1.6
172.05113	1.5
173.06000	3.1
173.09760	1.1
174.06726	3.6
175.07495	3.8
175.11011	1.2
177.05386	1.1
177.09044	1.3
178.06244	1.6
185.05969	2.3
185.13332	1.6
187.07536	13.6
187.11189	1.3
188.08336	2.3
189.05504	2.9
189.09119	15.0
189.12695	1.8
193.08592	1.7
198.06772	1.4
199.07564	2.5
201.05411	1.4
201.09120	1.5
203.06964	6.0
203.08774	1.2
203.10660	2.0
203.14294	1.3
204.07845	10.2
205.08598	5.8
208.14204	1.7
213.03900	2.6
216.07794	4.0
217.04916	1.8
219.10074	2.7
221.07968	1.4
221.11725	2.9
231.04895	10.2
231.10214	5.7
231.13786	3.4
233.11728	2.2
249.11208	89.9
249.14745	5.7
249.16745	8.1
253.31778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
56.96568	29.5
57.91757	0.5
61.02932	4.0
63.41245	0.4
67.95664	0.5
70.06605	0.9
70.98109	2.3
71.51258	0.7
71.95273	2.0
72.96063	2.3
73.02901	0.7
79.05451	0.4
83.01681	0.6
83.97630	1.2
84.00021	0.4
84.08137	1.6
84.96035	2.5
84.99251	0.4
85.02914	1.0
86.09708	3.7
88.99154	0.7
90.02462	0.5
91.02483	0.4
97.02908	0.5
98.06049	0.7
98.97587	100.0
99.97897	0.5
101.00890	1.8
102.01033	0.6
104.02142	0.5
110.02151	0.5
110.97590	1.3
112.00745	0.7
115.01412	0.5
115.02426	0.6
116.00243	1.9
116.02102	0.8
116.98624	33.8
117.01847	2.9
117.02929	1.4
119.01913	2.2
119.02695	1.5
120.02020	1.3
124.00843	0.5
125.02694	4.1
126.02304	1.3
126.03375	0.8
127.00681	0.7
127.01559	0.5
127.03860	0.5
128.98610	1.6
130.01852	1.0
131.01904	0.8
132.03479	0.5
133.03484	0.9
134.01257	1.2
134.99646	6.8
137.00836	5.4
137.06007	0.6
139.02402	0.6
140.00218	0.7
140.03854	2.1
142.05418	3.0
144.01598	1.1
145.01691	0.6
146.01363	3.1
146.99669	1.5
149.02960	0.9
150.01804	0.5
153.02170	1.9
154.03894	1.3
154.96609	0.6
158.01361	1.4
158.04890	1.9
158.99686	0.9
159.02206	2.8
160.02921	0.8
160.06473	3.0
161.01891	0.4
165.00778	0.7
165.02184	1.0
167.01930	2.8
170.04825	2.1
171.03311	4.4
173.03111	0.6
174.02765	0.7
175.00900	1.4
176.06036	0.5
177.00920	0.4
177.02434	1.0
178.07657	0.4
179.01854	3.7
180.02675	0.8
187.00838	0.9
187.03430	0.6
188.00951	0.9
188.02415	10.2
188.04204	0.6
188.05891	3.0
188.52527	0.9
189.00739	1.3
189.02690	0.8
189.04366	8.7
191.04071	0.8
194.02446	0.5
197.03014	3.7
199.00941	0.4
201.02519	0.7
202.02466	0.7
202.04170	0.5
202.07462	0.7
203.05765	0.6
205.00204	0.5
205.01973	0.6
206.01659	1.6
206.07037	8.5
207.05299	3.0
208.53886	0.4
209.03040	0.6
212.05927	1.4
213.04361	0.6
217.02043	0.9
218.03561	0.6
219.03525	0.6
224.02748	2.3
224.08066	6.6
230.07004	41.2
231.05377	1.2
248.08081	55.4
249.06358	0.5
259.79022	0.4
266.09158	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03947	3.9
55.01886	2.8
55.05519	18.3
57.03450	3.1
57.07073	6.4
59.05012	2.2
65.03956	4.2
67.05510	34.5
69.03438	6.8
69.07079	15.6
71.05004	6.9
71.52635	3.6
72.08163	2.4
72.29196	2.2
77.03972	2.0
79.05502	41.2
79.05913	1.6
81.03431	4.1
81.07063	54.2
83.05006	11.6
83.08633	13.3
85.06526	5.3
90.08436	2.7
91.05489	45.4
93.07051	59.5
95.04972	12.7
95.08618	32.0
97.06548	7.7
99.08115	5.3
105.07032	37.1
107.04971	7.3
107.08605	100.0
109.06525	18.1
109.10175	16.3
111.08065	5.0
115.05395	2.0
117.07030	17.1
119.06004	3.0
119.08593	43.7
120.48745	2.1
121.06504	19.6
121.10140	35.0
123.08076	23.7
123.11726	8.5
125.09647	49.5
127.03954	2.9
129.07034	4.4
130.07793	4.5
131.08591	33.7
133.06552	3.4
133.10136	21.9
135.08076	17.4
135.11687	15.1
137.06009	7.9
137.09625	8.5
139.11191	3.5
141.06967	2.8
143.08594	8.3
144.09344	3.3
145.10126	33.8
147.08055	17.2
147.11682	20.4
149.09654	17.1
149.13275	10.1
151.11244	4.7
155.08609	4.3
156.09367	6.6
157.10135	4.4
159.08052	5.8
159.11708	33.3
161.09775	4.3
161.13274	21.9
163.11179	11.4
163.14862	4.1
169.10152	8.0
171.11688	28.9
173.09659	9.2
173.13297	8.0
174.13722	2.1
177.12827	3.4
181.10078	2.8
185.13295	4.1
187.11211	7.5
187.14833	15.0
189.12752	34.8
191.10709	9.4
191.14336	2.9
196.12506	4.8
201.09097	2.5
201.12776	4.2
201.16455	10.7
203.10730	2.3
205.15938	7.1
211.14828	10.7
219.17424	3.2
229.12405	2.3
229.15855	26.6
229.19495	20.1
247.05881	3.5
247.09721	7.4
247.13213	4.7
247.16974	92.3
247.20627	89.8
247.24451	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	248.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.8
56.05029	7.2
56.96558	7.6
61.02930	34.3
67.05508	5.8
69.03439	3.7
69.07065	12.7
69.94202	9.7
69.94597	5.3
70.06586	13.0
70.98106	4.9
71.01362	59.9
72.08153	8.2
74.06078	3.2
75.04474	13.4
76.01597	3.3
77.16621	3.4
81.01905	3.6
84.04510	7.0
84.08131	10.5
85.02910	3.9
86.09697	14.8
87.04469	13.3
87.10036	5.8
88.03977	6.7
89.02374	4.3
90.02460	5.4
91.02427	5.3
91.03962	3.2
91.05483	4.3
95.01661	6.0
95.08607	3.7
96.02411	4.6
97.03225	3.6
98.06091	3.7
98.97591	20.9
101.00899	28.5
102.02405	8.8
103.03950	100.0
103.18502	3.1
104.02125	7.4
105.04016	7.1
111.02933	4.8
115.02438	29.2
116.02155	13.9
116.07061	5.1
116.98665	8.6
117.02946	7.6
118.01879	8.2
119.01310	3.2
119.01961	36.6
119.02744	5.6
119.40049	3.0
120.08121	10.4
123.02930	11.6
123.05038	7.7
124.03970	3.3
125.02672	34.0
126.03484	3.6
128.98744	3.5
129.10233	5.0
130.04997	4.0
131.01898	14.9
131.03410	62.2
132.03436	13.4
133.02565	5.9
133.03493	73.0
134.03545	4.4
137.02919	3.8
138.05464	3.8
139.02431	15.6
144.01585	3.7
145.03473	14.0
147.01297	4.3
148.02910	16.3
149.02953	40.4
150.05507	7.9
151.02405	3.6
151.04500	3.3
156.06570	4.7
159.02856	7.8
161.02963	23.6
161.06169	3.8
163.04546	68.0
167.01900	10.5
167.04031	6.4
171.01427	22.7
173.02866	22.2
174.02666	11.1
175.04565	8.4
177.00723	3.6
178.00995	3.4
179.04022	7.3
181.03487	5.2
181.05595	10.5
184.06029	5.8
184.09660	5.1
186.96935	3.3
189.02449	38.8
190.03966	9.1
191.04039	23.8
193.05518	3.4
197.02940	6.4
202.07109	11.3
202.10759	10.0
202.12651	6.8
202.14445	7.7
203.04024	33.9
215.03894	3.4
219.03400	9.6
219.05045	11.9
221.05136	26.8
230.10313	4.6
230.14009	7.7
231.03551	29.0
233.05128	43.4
237.04630	15.9
248.12903	7.8
248.15086	6.7
249.04584	44.0
251.06108	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	247.1331
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
51.70676	0.6
53.03941	1.5
55.01874	2.4
55.05514	16.8
55.05764	1.4
57.07078	10.4
67.05501	2.3
69.03429	21.6
69.07082	2.5
71.41225	1.0
79.05495	3.4
81.03419	1.0
81.07060	2.9
82.43888	0.6
83.04981	100.0
84.96024	0.7
91.05474	5.7
93.07047	4.9
95.04981	5.7
95.08621	2.6
97.06528	1.0
98.98460	1.9
103.05489	1.4
105.07034	5.6
107.08577	2.3
109.06509	5.4
109.10183	1.1
115.05415	1.0
117.07058	3.6
119.08592	9.2
121.06485	5.1
121.10136	1.3
121.99539	0.7
123.04421	0.9
123.08131	0.9
128.06233	2.1
129.06998	3.4
131.08571	8.4
133.06488	2.1
133.10139	1.6
135.08069	1.6
137.05988	3.3
139.07574	1.1
141.06996	2.5
141.23305	0.6
142.07822	3.4
143.08548	4.9
144.09390	1.4
145.06496	13.0
145.07640	0.9
145.09114	0.9
145.10098	5.4
146.07274	1.2
147.08049	9.2
147.11609	1.2
151.07571	1.5
153.07045	4.0
154.07771	1.9
155.08565	9.6
156.09308	0.7
157.06491	1.0
157.10126	3.8
158.07304	1.3
158.10954	1.6
159.04402	3.2
159.08072	10.4
159.11670	4.0
163.11174	7.9
167.08557	1.9
168.09352	10.0
169.06482	0.9
169.10146	2.0
171.08095	3.5
172.08833	4.6
173.05968	10.3
173.07115	0.6
173.09526	3.9
173.13216	4.7
175.03802	0.7
178.07788	1.7
181.06493	3.5
182.07256	3.4
183.08099	4.3
183.11693	13.8
185.05911	1.1
185.09599	3.1
185.13307	1.1
186.10381	4.2
187.07535	3.8
187.11185	7.2
187.14871	1.1
189.05554	1.0
191.10669	0.8
191.14301	1.9
193.10156	2.1
195.08044	1.8
196.07185	1.2
196.08844	14.6
199.11131	1.0
200.08304	2.0
201.09039	1.3
201.10841	1.2
201.12740	22.4
201.16382	1.4
203.10614	1.0
211.11177	28.5
214.09840	1.5
215.06461	2.0
229.12244	77.7
229.15912	2.1
247.05919	1.0
247.09599	1.6
247.13284	39.2
247.16936	7.7
247.20401	1.6
247.24518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45398	4.5
56.96573	55.9
57.03423	9.3
61.02925	18.6
61.70823	4.8
69.43401	30.6
70.98127	51.6
71.95278	7.0
72.08150	5.9
82.99847	14.2
84.96056	6.2
85.02924	4.2
86.09682	10.1
88.99167	19.0
98.97600	100.0
101.00896	62.3
110.97572	10.9
113.00877	11.1
115.02445	6.8
116.98618	26.9
119.01936	70.5
124.95477	12.4
128.98625	49.6
131.01923	21.4
133.03490	15.7
134.99654	5.0
136.71599	5.7
137.03011	7.9
141.01285	6.9
143.01834	7.7
144.99850	5.4
145.01663	5.2
146.99675	47.4
152.21992	4.9
154.00362	4.9
156.98076	8.3
157.03606	5.9
158.99689	9.5
159.01440	4.3
161.02982	8.1
163.02834	5.1
165.00749	19.6
165.54884	4.3
168.98344	5.4
168.99843	20.0
170.98972	4.5
172.94373	5.4
173.02977	14.5
174.99263	8.3
175.00818	5.1
175.04623	5.3
177.00703	11.2
186.99394	7.1
187.00934	24.0
187.02609	5.9
189.00745	5.3
196.01288	8.8
196.99301	11.3
201.02515	10.7
205.00200	35.1
205.01971	12.7
207.01637	5.0
215.00389	24.6
223.01239	12.9
247.02908	8.0
247.06787	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.56118	0.9
51.63025	0.9
53.03951	5.6
55.01857	1.9
55.05500	4.0
57.07071	1.6
65.03933	3.9
67.05517	4.9
69.03088	1.2
69.03435	15.5
69.07049	1.5
69.41814	7.5
75.20506	1.1
77.68577	1.2
79.05493	7.5
81.07065	8.6
83.04556	1.5
83.04988	15.7
91.05491	13.7
93.03424	4.6
93.07047	14.0
95.04959	4.6
95.08595	2.1
97.02906	6.3
105.07042	15.4
107.04933	2.0
107.08609	15.7
109.02889	20.5
109.06523	11.3
109.10128	3.0
111.04433	4.6
113.74138	1.1
115.05455	3.6
116.06231	1.5
117.07053	9.3
119.07829	1.3
119.08601	18.9
121.02866	3.7
121.06512	20.7
121.10165	8.6
123.04456	1.0
123.08017	1.2
128.06247	2.8
129.07022	5.6
130.07753	1.4
131.08565	18.1
133.06514	1.4
133.10139	12.7
135.04449	1.0
135.08061	26.5
137.05965	8.2
137.09612	4.2
139.03938	1.8
141.07013	2.4
142.07788	2.7
143.08560	10.7
144.09358	11.2
145.06496	9.6
145.10133	14.3
147.08040	4.5
149.06042	1.5
149.09625	25.5
150.10413	3.4
151.11214	3.0
153.06978	2.4
153.09116	1.2
155.08533	4.6
156.09363	1.1
157.06442	1.4
157.10106	2.7
158.07199	1.7
158.10913	13.5
159.08089	11.5
159.11710	29.4
160.08800	2.2
161.09647	4.1
163.07542	22.0
163.11179	3.2
165.09119	2.0
168.09380	5.8
169.10121	3.0
170.10930	5.6
171.08080	7.3
171.11710	1.3
172.08841	14.4
173.06046	1.5
173.09645	27.5
173.13275	43.0
183.11728	7.3
185.09709	1.8
185.13274	3.5
186.10417	22.6
187.11194	100.0
189.09181	2.0
191.07042	25.5
193.10191	1.6
196.08852	6.6
201.12755	70.8
203.14365	2.0
205.12286	9.4
211.11186	12.0
214.09935	3.4
219.13788	5.6
229.12251	71.7
247.13313	62.2
247.17259	2.6
247.24127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05495	3.2
55.74194	0.8
56.05024	1.5
56.96569	94.2
57.03438	3.6
60.95860	1.3
61.01124	1.0
61.02933	6.8
65.83907	0.9
67.05479	1.3
69.03419	2.9
69.07072	1.2
70.06595	8.1
70.98128	76.1
71.04988	1.0
71.51524	1.3
71.51921	1.1
71.95266	3.1
72.08161	9.2
73.02930	2.3
74.06094	1.5
74.97614	5.7
77.01417	0.9
81.03423	1.7
84.04507	4.7
84.08150	13.1
84.96043	9.4
85.02901	4.3
85.08470	2.1
86.09721	8.8
86.97579	3.2
88.03980	2.2
88.99168	36.9
88.99715	2.1
89.00772	1.2
91.05505	1.8
95.05001	1.1
97.02895	2.8
98.01338	1.0
98.79776	0.9
98.97594	62.5
100.07654	1.0
100.99159	5.2
101.00883	8.8
102.96977	1.4
103.00627	2.8
107.00203	7.4
109.02882	1.6
110.97578	10.4
112.95486	1.3
112.99102	1.9
113.00855	2.1
115.00681	3.4
115.02405	1.4
116.07073	1.5
116.98634	23.2
117.48462	0.9
118.01021	2.6
118.08693	1.6
119.00192	1.7
119.01918	14.3
119.04907	1.2
121.01649	3.8
123.00196	1.4
124.87130	1.0
124.95522	1.8
126.97047	2.1
127.00668	2.4
127.01536	2.1
127.02392	2.2
127.03868	1.5
127.97990	1.0
128.98616	64.7
129.10222	2.0
130.01918	1.2
130.08655	3.0
130.93279	1.5
130.96548	1.9
131.00134	2.3
131.01921	5.4
131.02721	1.0
131.05544	1.1
131.74266	1.0
132.10229	1.9
133.01680	3.4
134.99680	5.5
136.07596	2.7
137.05988	8.2
138.97108	1.6
139.07512	1.4
140.98598	3.0
141.01292	2.7
142.08589	2.1
142.96518	2.0
143.00128	3.6
143.01944	1.9
144.10219	2.2
144.98111	20.0
145.01697	2.7
145.03513	2.1
145.04950	1.3
145.98846	1.5
146.99661	100.0
148.97551	1.3
149.01234	1.6
149.06639	1.8
150.01709	1.3
151.07523	1.8
152.00380	1.2
153.00449	1.5
153.07120	1.5
155.00174	2.0
155.01830	1.1
155.04683	2.0
156.98083	5.1
157.01752	1.3
157.03532	3.3
158.99658	10.8
159.01395	2.8
159.03282	2.0
159.09344	1.0
161.01216	3.9
161.02876	2.6
162.99171	15.0
163.02727	3.0
163.08200	1.1
164.98550	2.2
165.00732	56.8
167.07025	2.1
168.01891	1.7
169.01707	1.3
170.01273	3.1
171.01411	3.3
172.94409	3.3
172.97624	1.7
173.01086	2.3
173.02921	1.9
174.99179	11.4
175.00703	2.0
175.02699	1.7
175.04599	1.4
176.01517	0.9
176.07356	2.7
177.00726	10.4
177.02325	1.5
177.04262	1.6
179.00415	0.9
179.02144	1.7
181.00256	1.7
182.99771	7.6
183.01540	5.9
186.99161	12.4
187.00766	1.5
187.02777	2.5
187.10915	1.2
188.02309	1.3
189.00673	1.8
190.95418	3.0
190.98721	2.3
191.00436	1.1
191.02196	1.5
191.03877	2.3
193.00241	5.0
196.01331	2.0
201.00702	11.0
201.02467	20.5
201.04311	1.0
201.12373	1.7
203.02187	2.1
203.10852	1.4
205.00227	92.5
205.03784	3.9
211.97595	3.3
215.00331	2.0
215.06480	6.5
217.00128	1.4
217.01932	1.8
219.01697	3.6
219.03529	8.6
220.97986	1.7
221.03113	2.6
223.01266	69.0
224.04176	4.9
224.07054	3.0
228.01848	2.7
229.01866	2.2
229.11964	2.2
235.03076	1.6
238.07809	1.5
241.02275	4.0
246.02716	1.4
247.00926	6.7
247.04753	4.4
247.13351	2.0
247.18359	1.7
265.02267	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	246.145
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
50.63092	1.8
53.80015	1.6
55.01866	1.6
55.05509	3.3
56.05029	2.8
56.96574	11.1
59.69088	1.7
60.04543	2.4
65.43635	1.5
68.05033	3.3
69.07074	47.0
69.91224	7.6
70.02962	13.4
70.06601	7.2
70.98121	2.9
72.08168	9.3
73.02927	2.9
73.06563	3.2
74.75160	1.6
75.05595	5.2
79.05489	2.6
81.07071	3.3
84.04514	17.0
84.08157	24.9
85.02904	5.0
85.04048	14.3
86.09714	100.0
87.05598	65.5
88.03982	2.4
96.04481	2.0
96.08140	3.7
97.06540	4.0
97.83537	1.4
98.02419	19.2
98.97585	6.6
100.07641	2.6
102.05560	3.0
104.74969	1.7
110.02413	59.4
110.09683	7.5
110.97579	1.7
113.10780	44.3
113.11561	2.2
114.05544	7.3
116.07085	2.6
116.10823	1.9
117.10270	2.2
120.08128	2.9
124.03979	9.5
124.07599	8.9
125.07922	11.6
128.79341	1.7
128.98640	3.9
129.10257	6.2
130.05037	7.9
130.08659	2.4
132.10202	18.3
138.09161	6.8
139.79457	1.6
140.07098	1.8
141.10233	79.2
142.04999	6.3
143.11813	54.5
146.99680	2.9
147.11356	3.2
155.11803	9.2
156.10223	4.0
156.13875	3.2
166.08650	59.9
169.09746	8.4
171.11311	12.3
182.06404	3.8
182.11774	4.3
183.11282	10.5
184.09729	5.9
187.10805	50.6
200.09236	1.8
200.14043	24.8
202.10757	35.5
202.14406	2.1
205.00247	3.1
211.10805	8.3
212.09193	74.6
228.06934	2.0
228.13499	4.8
229.11856	49.5
246.09898	4.2
246.14560	8.9
246.18106	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	246.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
67.05505	4.1
69.07079	6.0
70.06619	1.2
70.45798	1.9
71.04993	2.1
75.04498	1.1
81.07069	3.1
85.06541	1.2
91.05476	1.2
93.07063	2.5
95.04969	7.0
95.08617	5.6
105.07045	2.1
107.08569	1.5
109.06514	1.2
109.10170	100.0
119.07833	0.9
119.08555	4.6
121.06527	2.5
123.11733	13.3
127.11208	40.1
131.08586	1.1
133.10120	5.8
137.09625	10.2
139.07559	1.1
143.08607	1.2
151.11182	3.3
153.26787	0.7
155.10707	9.8
161.09647	7.8
169.12251	1.2
173.11751	6.3
179.10689	24.7
183.13824	2.1
197.11754	59.9
211.13329	21.7
229.14380	4.1
246.18604	0.8
246.24370	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	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00011	0.3
57.06831	0.4
57.07078	4.8
58.06591	0.4
62.06076	0.5
63.86315	0.3
64.82969	0.3
69.68938	0.3
69.73885	1.6
70.06595	8.4
71.08631	2.5
85.10162	0.6
88.07632	10.3
99.55321	0.3
102.09193	3.2
106.08663	5.3
108.38045	0.3
108.89957	0.3
118.06538	11.0
120.08087	0.3
120.99485	0.3
132.08112	1.8
133.08835	1.3
134.09673	0.8
146.09648	2.1
176.14348	74.9
184.20633	0.8
202.10179	0.3
202.15840	0.3
202.21732	0.4
228.23239	4.2
246.22162	100.0
246.24353	58.1
247.16808	0.4
247.22530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
54.39039	1.9
55.01877	22.5
55.05511	14.3
55.93529	3.2
56.05023	4.9
56.96559	4.8
57.03427	4.5
60.04525	4.3
60.05632	1.6
65.03931	2.9
67.05507	26.3
67.51222	1.5
69.03426	6.2
69.07069	19.7
70.02966	2.3
70.06603	16.5
71.04996	68.2
71.31517	2.9
72.08150	11.4
72.93784	5.6
74.02420	2.3
74.06077	5.7
76.97971	3.3
79.05077	3.3
79.05497	36.8
80.05019	1.8
80.92808	1.6
81.03423	15.1
81.07060	17.4
83.01332	2.3
83.05004	12.8
83.08616	12.0
84.04494	6.2
84.08150	61.0
85.02898	4.9
85.06559	23.9
85.08470	7.8
86.06068	2.3
86.09711	75.8
87.04441	3.0
87.05589	5.9
87.10032	6.1
88.03998	18.5
88.05920	1.9
90.94817	6.5
91.05492	24.9
93.07057	38.3
94.06546	1.7
95.04973	24.9
95.08627	12.7
96.08119	4.7
97.02901	24.4
97.06552	9.5
98.97588	2.1
99.04478	15.3
99.08062	2.4
101.10766	2.4
102.05531	4.2
103.05460	2.8
105.07033	16.0
107.04961	26.3
107.08598	18.6
109.06551	2.6
109.10105	2.3
110.07133	2.1
111.04449	4.5
111.05579	1.7
111.08066	6.4
112.08717	2.1
113.03500	5.8
115.03919	2.9
115.05476	2.9
116.07075	2.5
116.98661	1.6
117.07020	10.0
119.08590	9.9
120.08109	6.7
121.06506	9.3
121.10149	25.5
123.08057	6.0
124.07598	17.0
125.06009	2.6
125.09674	9.8
127.03928	62.9
129.07039	3.8
129.09171	3.3
129.10234	20.4
130.06537	5.8
130.07780	2.8
130.08635	2.5
130.10576	6.6
131.04906	2.3
131.08582	50.8
132.08084	8.9
133.06114	2.3
134.04485	3.4
135.04448	1.9
135.08017	4.1
135.11647	4.2
137.05998	16.1
139.03897	28.8
139.07616	2.0
139.11223	2.9
141.05478	3.2
142.03224	6.0
143.03397	2.9
143.08571	3.2
145.06493	5.4
145.10144	36.7
147.08084	3.1
149.06009	3.1
149.09634	100.0
149.96106	6.2
153.05469	15.6
155.08540	3.0
157.04987	2.0
157.07597	2.6
157.10133	2.2
159.09177	18.2
160.07607	2.5
161.05988	3.0
163.11203	14.1
167.07104	2.4
167.10670	6.5
167.97163	3.8
172.97751	5.6
173.09657	11.7
173.12944	4.3
175.11903	3.1
177.05565	2.5
181.12228	16.9
184.07584	2.8
185.07106	8.0
190.98790	3.2
191.10687	32.0
197.16452	2.9
198.16951	2.7
201.10237	3.0
209.11746	84.5
213.03166	2.7
214.60802	1.9
217.04941	1.7
227.08275	10.2
227.12790	28.1
245.04535	8.0
245.08060	2.9
245.09273	7.4
245.13715	9.8
245.18799	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	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
53.03955	0.2
57.02670	0.2
58.06593	0.4
65.03939	0.3
67.05494	0.4
67.84836	0.3
69.07073	9.7
69.66294	1.5
70.06615	0.4
72.08155	0.4
73.06277	0.2
81.03419	0.6
81.07033	0.3
84.08142	1.1
86.09709	100.0
87.10040	0.3
88.04031	0.2
91.00047	0.3
91.05482	8.5
98.20840	0.3
98.97598	0.2
120.08139	0.3
128.06227	0.2
128.10728	0.9
129.10274	0.6
131.08545	0.2
132.08101	0.3
132.10204	1.5
142.03258	0.3
149.02390	0.6
167.03430	0.9
185.09657	0.3
195.02921	0.4
199.18155	1.1
218.88597	0.3
245.04544	0.6
245.07944	0.5
245.18626	6.0
245.20956	0.4
254.07292	0.3
261.07339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05510	0.6
56.05025	0.4
63.48040	0.3
67.05511	0.7
69.07070	1.0
69.45499	1.7
70.06608	1.3
71.05007	0.3
72.08147	1.0
72.93787	0.6
74.06064	0.3
79.05494	0.4
80.05021	0.3
81.07056	0.9
84.08148	1.2
86.06090	0.5
86.09712	100.0
90.94832	0.4
93.70634	0.2
95.08634	0.4
98.97616	0.3
107.08606	0.3
114.03769	0.4
118.18117	0.2
120.08124	0.3
121.10127	0.4
129.10265	0.5
132.08133	0.3
132.10220	5.2
142.03261	1.4
149.96092	0.5
153.04129	0.2
157.10139	0.3
159.09212	0.8
160.07602	0.3
185.07162	0.4
199.18059	1.1
200.07341	0.3
227.08418	0.6
228.19673	0.4
232.47121	0.3
245.11951	0.3
245.16286	0.4
245.18623	7.0
245.22418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28910	1.6
53.03944	4.9
53.44579	1.7
55.01875	21.4
55.05515	15.4
56.05040	2.9
56.96579	2.2
57.03450	3.1
57.07098	2.2
60.04516	2.9
62.87357	1.7
65.03948	2.9
65.19668	1.5
65.40060	1.3
65.56548	1.5
67.05513	17.2
69.03429	2.0
69.07073	15.9
69.78027	5.6
70.02942	2.0
70.06590	12.5
71.04994	56.2
72.08139	9.0
72.93799	5.1
74.02438	2.3
74.06071	3.4
76.71072	1.5
76.97990	1.9
79.05075	2.4
79.05496	33.1
81.03423	12.3
81.07060	13.4
82.07374	1.5
83.01347	3.3
83.04987	6.6
83.08607	12.6
84.04519	3.9
84.08146	33.0
85.02914	3.0
85.06544	22.7
85.08491	3.9
86.06068	1.9
86.09711	44.1
87.05624	2.1
87.10045	2.5
88.03999	9.4
90.94847	4.8
91.05481	23.2
93.07053	37.5
95.04983	26.9
95.08623	14.9
96.08129	3.3
97.02897	24.3
97.06514	10.6
98.21550	1.7
98.97610	2.4
99.04469	15.8
99.08110	2.5
101.10764	1.6
102.05572	2.2
103.05446	3.0
105.04502	2.1
105.07040	12.0
107.04963	23.1
107.08603	22.0
108.04539	1.5
109.02871	2.2
109.06538	2.7
109.10149	3.2
111.04448	5.2
111.08118	7.9
113.03506	3.1
113.96429	1.7
115.03939	2.7
115.05456	2.3
117.07031	9.0
118.06463	1.7
119.08607	12.5
120.08128	3.3
121.06506	8.9
121.10152	30.1
123.08079	4.5
124.07590	10.2
125.05952	2.3
125.09659	9.1
127.03926	62.5
129.06987	7.1
129.09126	5.2
129.10245	14.5
130.06526	2.5
130.10608	2.2
131.04930	2.6
131.08562	40.5
132.08107	8.0
133.10179	2.0
135.08051	1.9
135.11755	3.5
137.05994	13.3
137.09663	2.3
139.03897	27.1
139.11186	1.6
141.05498	6.0
142.03212	3.7
143.08493	2.6
145.06470	4.1
145.10129	31.6
147.08049	3.2
149.05949	2.7
149.09624	100.0
149.96115	3.9
150.06564	1.6
153.05444	13.6
155.08557	4.2
157.04964	2.6
157.07683	2.2
157.10095	1.8
159.09186	11.3
160.07549	2.2
163.11177	16.9
167.10712	4.8
167.97215	3.8
172.97705	4.5
173.09613	11.6
173.12837	2.5
176.30754	1.7
181.12254	15.1
184.07652	2.7
185.07112	6.2
185.09645	1.8
190.98779	2.2
191.10678	25.7
198.16971	2.0
199.07310	1.8
201.10321	2.6
209.11736	78.3
210.86821	1.9
213.03133	3.3
227.08130	6.2
227.12790	24.8
245.04378	3.5
245.06029	1.9
245.09335	5.6
245.11578	2.3
245.13539	8.3
245.18925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01869	0.3
55.05516	0.8
56.96562	1.5
68.05032	0.3
69.07065	0.5
70.06585	0.4
70.75108	0.7
72.08150	0.8
72.93792	0.5
75.82275	0.2
76.02223	1.2
79.05496	4.2
80.05027	0.8
80.20250	0.2
81.05807	2.8
81.07056	4.1
83.04980	0.3
84.04508	2.4
84.08148	1.3
85.02905	0.6
86.06104	0.3
86.09705	1.8
86.25970	0.2
87.89165	0.2
90.94841	0.5
94.06563	1.5
96.04504	1.0
96.08137	15.2
98.97595	1.0
106.06551	2.2
107.04984	0.5
110.06070	0.3
111.05585	0.6
113.03511	0.3
114.05553	0.6
116.98668	0.3
119.01921	0.4
122.02750	1.5
122.06014	0.3
124.07597	100.0
129.10274	0.4
130.05006	2.5
136.58844	0.3
138.09171	0.3
142.03250	0.4
142.05008	0.7
144.34747	0.2
149.96126	0.8
156.04784	12.8
158.06337	0.3
158.47884	0.3
158.99718	0.3
167.97113	0.2
172.97791	0.4
181.07953	0.4
182.06395	0.3
182.11798	0.9
184.09653	1.4
187.04530	0.3
199.09027	7.4
201.12363	1.9
202.10780	0.4
227.13873	0.3
228.06911	1.6
228.12239	0.3
236.76224	0.2
241.60968	0.2
245.04381	0.7
245.09592	12.4
245.14929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.5
58.17658	0.3
60.95857	0.3
68.98283	0.5
69.03419	0.6
69.49014	1.2
69.49425	0.6
70.99870	0.3
71.04972	0.3
75.94517	0.2
81.03408	0.4
82.99835	1.6
86.99315	0.4
90.94818	0.4
97.02885	0.7
98.97572	1.8
99.04453	0.6
101.00889	14.6
102.00957	1.0
102.96882	3.4
103.00653	2.7
103.02450	0.3
113.00869	2.5
115.02415	1.2
116.98620	0.4
118.98605	0.3
119.01928	19.2
120.02013	2.2
120.97878	1.6
121.01670	4.1
121.02465	0.4
124.97588	0.3
127.02414	1.1
127.03902	0.7
129.04028	0.3
131.01917	5.9
131.05528	0.5
133.03453	1.3
136.99655	0.6
137.02982	2.0
138.03058	0.4
138.98940	0.4
139.02522	1.2
141.03929	0.5
142.03453	0.3
142.98618	1.1
143.01906	11.3
143.03586	0.5
145.03456	2.8
147.01373	1.0
149.03017	0.4
149.06616	0.4
149.96135	0.4
155.01884	2.1
157.03473	8.1
157.25923	0.3
158.99937	0.2
159.01393	0.5
160.00015	0.3
160.99657	4.3
161.02972	25.3
162.03156	0.9
163.04517	0.5
167.01903	1.2
167.97195	0.4
169.03459	1.0
171.05061	0.7
173.02971	6.0
175.03085	0.2
175.04543	4.7
177.00963	0.9
177.02602	0.4
177.09723	0.5
178.01009	0.8
179.00708	17.1
179.03992	0.8
180.04106	0.5
181.03505	0.4
184.99666	0.8
185.02968	10.8
187.04527	2.3
189.06067	0.5
191.03999	2.2
197.02998	1.9
199.00725	0.2
199.04581	1.2
203.00879	3.0
203.04021	12.2
203.11221	0.3
209.03006	0.3
215.04012	3.1
217.05592	1.0
219.01929	0.7
219.03856	3.1
220.02153	0.5
221.01784	23.6
221.05182	1.4
222.01993	0.9
222.06122	0.4
227.00662	2.6
227.04001	3.5
229.99420	0.3
233.05118	1.7
236.00546	0.4
239.98650	0.4
244.03447	0.4
245.01849	12.2
245.05070	18.5
245.12247	1.8
261.03171	0.7
263.02887	100.0
264.03006	1.3
265.03333	0.4
268.03558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0924
Annotation	Brunnein A
Peak:m/z	Relative Intensity
53.03931	0.3
55.01872	0.3
55.05518	1.2
56.96569	0.4
57.03437	0.4
58.60519	0.2
63.02388	0.2
66.33758	0.2
67.05497	0.8
67.14793	0.2
68.99796	0.9
69.03423	0.5
69.07065	0.7
69.30463	0.2
70.02966	0.2
70.06588	0.8
70.41525	0.2
71.04992	0.2
71.51486	0.2
72.08158	4.6
74.87846	0.2
79.05479	0.6
80.05004	0.3
81.03413	0.3
81.07073	1.1
83.04994	0.3
83.08617	0.4
84.04504	0.3
84.08134	0.5
84.66260	0.2
85.02907	0.3
85.06528	0.3
86.09713	4.6
87.00848	1.5
91.05478	0.7
93.07040	0.8
95.04951	0.2
95.08569	0.5
97.06518	0.3
97.10149	0.7
98.97579	0.3
100.11248	0.4
105.07036	1.0
107.04961	0.3
107.08595	0.6
109.06524	0.3
109.10166	0.5
113.03463	0.3
115.03944	0.2
115.05459	2.7
117.05757	2.5
117.07038	0.3
118.06561	2.4
119.08575	0.3
120.08107	0.2
121.10147	0.5
123.04446	0.2
123.08070	0.5
125.09641	0.7
128.06209	0.5
129.07024	2.1
130.06532	8.9
131.07416	0.2
131.08585	0.6
132.08096	46.3
133.10121	0.3
135.08078	0.4
140.04935	0.5
142.03239	1.1
142.06528	8.3
143.07292	0.7
143.08496	0.4
144.04433	0.4
144.08090	0.3
145.10124	0.2
146.11760	2.0
147.08084	0.2
149.09532	0.4
149.96146	0.3
154.06546	1.2
156.06819	0.4
156.08090	4.5
157.06526	0.2
157.07622	7.1
158.06119	1.5
158.08403	6.3
158.09593	0.3
159.09183	100.0
160.06245	0.4
160.07587	8.2
160.09555	0.4
161.50984	0.2
163.11276	0.2
166.06538	0.3
167.06076	3.0
167.07420	0.3
170.02660	0.4
170.06010	3.1
171.06816	0.6
171.09129	0.9
171.11670	0.3
172.07541	1.4
173.13286	0.2
175.07610	0.3
181.07651	2.0
182.06041	0.9
183.09192	1.3
184.06345	0.4
184.07590	16.7
185.07111	46.3
186.07295	0.2
189.11266	0.5
194.07158	0.2
198.05511	0.5
199.08734	2.1
200.07089	6.9
200.13577	0.7
201.10236	14.5
202.07784	0.2
209.07132	1.8
217.12500	0.2
222.14903	0.6
227.08160	44.7
228.08519	0.4
245.09256	32.9
245.15466	0.7
245.18634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.8
60.08125	4.5
63.89353	4.8
69.89099	4.0
69.94052	22.8
101.00839	5.1
104.10757	100.0
112.05094	6.1
113.05439	5.4
119.01935	10.4
143.01945	7.1
155.01854	8.3
158.50975	4.9
181.86983	5.0
212.18660	4.7
227.93507	5.6
245.00626	10.4
245.05237	6.5
245.08369	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	245.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	54.2
61.02920	13.8
66.56871	6.8
69.65622	28.4
70.06599	15.6
70.98170	6.7
71.95261	13.1
80.21655	6.9
82.99802	7.2
84.08118	14.0
86.06029	8.3
86.09705	8.9
93.01627	8.3
93.09309	6.8
97.04799	7.3
97.84641	7.6
98.21490	12.4
98.97583	56.3
101.00905	39.3
104.10725	22.2
112.05110	33.2
113.00911	9.2
113.03511	46.0
113.05406	18.9
116.07066	7.8
116.98597	13.1
119.01942	38.4
123.02655	13.8
124.07590	10.4
124.95480	12.5
125.04253	8.3
128.98630	7.0
131.00221	7.1
131.01929	12.0
133.03516	8.6
140.98616	10.2
142.96532	9.0
143.01907	12.2
145.03542	15.7
153.03743	14.3
155.01949	13.4
157.03479	9.3
158.99646	9.4
161.02927	15.9
167.01974	8.7
170.96011	10.7
171.04836	10.9
172.42778	6.9
173.02927	14.5
173.06697	7.0
174.99144	8.0
184.97549	8.2
185.02975	30.5
188.97089	26.5
195.01668	7.6
197.02951	15.0
197.84396	6.9
202.98608	17.8
203.03966	11.1
206.98141	11.2
213.05821	27.1
220.99734	8.8
221.02954	14.6
221.04913	7.3
222.03163	7.2
240.06453	7.7
245.00854	8.4
245.01619	10.4
245.04312	100.0
245.08395	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03942	3.0
53.97453	1.5
55.01875	9.0
55.05511	21.0
57.03440	39.1
57.07059	3.7
59.68982	1.7
65.03918	3.2
67.05507	90.2
69.03413	7.5
69.07064	16.1
70.06594	3.0
71.05000	41.1
71.52806	3.5
78.07607	1.8
79.05085	3.3
79.05497	37.8
81.07057	96.9
83.04971	8.3
83.08607	7.9
85.06550	23.2
86.09673	1.7
87.04444	5.3
88.42526	1.9
91.05485	60.4
93.07048	24.1
95.04951	8.1
95.08612	20.5
97.06536	10.8
98.97594	4.1
99.04456	2.3
104.74735	1.9
105.07034	48.5
107.08594	37.9
109.06511	9.3
109.09378	2.2
109.10164	37.9
111.08047	2.9
113.06033	2.0
113.09635	2.2
115.05451	2.3
117.07002	2.3
119.08551	2.8
121.10140	6.2
123.04508	2.1
123.08037	3.7
123.11697	12.5
127.07581	2.0
130.02541	2.2
131.08543	6.1
133.09137	2.6
133.10129	46.9
139.03912	2.1
139.11201	2.9
145.10004	2.9
145.74054	1.7
149.02336	2.9
151.11179	30.5
161.13242	2.1
169.12302	3.5
173.13313	3.2
193.08549	2.1
201.05609	2.6
211.09622	3.9
215.07101	2.5
219.68503	1.9
225.14656	2.3
243.06506	6.2
243.08727	2.3
243.15897	100.0
243.21130	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	243.1594
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.47164	1.6
53.03930	5.9
55.01871	6.0
55.05515	30.1
56.36199	1.6
57.03422	3.3
59.05003	24.5
61.02918	3.9
63.47140	1.6
65.03949	2.6
67.05511	55.1
68.99790	2.0
69.03429	3.0
69.07072	21.8
69.90128	7.2
71.01338	2.5
71.05002	49.4
75.66822	1.6
79.05502	54.1
81.02938	1.9
81.03426	35.4
81.06593	3.6
81.07062	65.0
83.04981	20.6
83.08634	14.3
85.02896	4.0
85.06552	14.0
87.04471	8.8
91.04916	3.7
91.05488	68.3
93.07054	42.5
95.04985	18.8
95.08611	28.2
97.02845	2.1
97.06534	18.2
97.10153	2.6
99.08087	2.8
101.06011	3.2
105.07042	44.2
107.04955	3.3
107.08604	48.8
109.06525	12.3
109.10154	4.9
111.04415	4.0
111.08097	11.5
113.06015	6.6
115.05473	2.6
117.07010	3.6
119.08598	29.6
119.09399	3.7
121.06492	2.6
121.10152	32.2
123.08061	8.8
123.11709	5.6
124.29556	1.6
125.06065	1.9
129.07025	17.1
131.08586	31.1
133.06479	3.7
133.10141	42.5
137.09534	1.9
142.07785	3.7
145.10146	3.2
147.08070	6.1
147.11700	50.2
149.09637	47.3
149.13235	2.0
151.11247	2.6
157.10130	27.4
159.11786	1.7
165.12762	7.0
167.10646	10.1
175.11212	37.5
179.14218	2.6
193.12260	53.1
197.15413	25.4
199.13332	10.4
202.35254	1.7
204.23006	1.8
207.13780	3.9
211.13313	39.2
225.14873	100.0
232.64037	1.7
243.06485	4.5
243.10269	2.3
243.15912	3.9
243.21103	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	243.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30615	4.5
53.03955	4.8
55.01873	18.6
55.05518	33.9
57.03437	46.3
57.07055	6.3
65.03944	5.3
67.05507	66.3
67.64394	4.5
68.46522	4.8
69.03418	14.3
69.07078	45.5
70.06583	8.9
71.04998	71.9
78.08004	4.4
79.05507	37.0
81.07069	99.2
83.04966	8.9
83.08629	26.1
84.08168	6.7
85.02956	5.7
85.06556	15.5
91.05491	56.7
93.07055	98.2
95.04968	28.1
95.08619	100.0
97.06547	37.8
97.10186	4.8
99.04470	7.1
99.08123	11.6
105.07033	60.4
107.04982	7.5
107.08602	69.3
109.06534	50.9
109.10148	39.8
111.08070	31.1
113.06010	12.1
113.09649	5.6
115.07571	27.9
117.07058	12.1
117.73525	4.5
119.08611	48.1
121.06508	34.7
121.10130	15.9
123.04416	7.0
123.08092	21.0
123.11697	15.5
125.09647	8.9
129.05617	5.1
129.06995	9.3
129.10217	6.7
131.08595	12.3
133.06538	6.1
133.10162	46.8
135.08109	22.6
135.11749	8.6
137.09595	31.1
138.97783	4.6
139.07535	46.0
143.08589	11.5
145.10144	21.0
146.64043	5.0
147.08057	13.3
147.11690	51.3
149.09644	6.0
151.11165	22.7
155.08609	6.7
155.10677	11.3
157.08635	17.3
157.10075	5.8
159.11661	10.2
161.09666	6.6
161.13255	38.1
165.12743	12.0
169.08748	4.8
169.10123	12.1
171.11650	6.1
173.09676	6.8
173.13251	9.2
179.14317	20.6
182.11012	4.8
183.08052	6.7
183.11711	7.0
183.13861	8.2
185.09669	5.4
187.13275	9.4
187.14847	6.7
187.74426	4.9
189.12776	30.1
197.13321	6.1
200.04745	7.3
207.13815	55.5
225.14894	21.5
243.06496	10.3
243.10046	29.6
243.13794	11.7
243.15509	22.9
243.18002	6.4
243.21068	23.3
256.89975	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	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03944	6.5
53.92048	3.3
55.01869	10.0
55.05511	24.9
56.96560	4.6
57.03194	4.8
57.03440	59.5
57.35914	3.3
61.92380	4.0
65.03919	4.7
65.98636	3.4
67.05499	50.7
69.03412	13.4
69.07065	43.7
69.57102	24.0
71.04993	75.5
73.02906	4.6
73.18898	3.9
79.05486	51.1
81.03421	7.9
81.06605	4.1
81.07057	53.1
82.45538	3.5
83.04968	12.5
83.08628	27.6
85.06530	12.6
85.23420	3.4
89.06012	8.3
91.05481	51.7
93.06490	6.7
93.07046	100.0
95.04965	28.0
95.08607	92.7
97.06524	42.5
98.97583	6.7
99.08073	15.6
105.07040	69.8
107.04913	6.5
107.08595	66.0
109.06541	51.6
109.10164	39.7
111.04439	10.0
111.08067	31.9
113.05991	14.5
113.09623	4.9
115.07558	30.3
116.98621	5.1
117.07025	11.9
119.08589	44.7
121.06509	41.5
121.10139	15.0
123.08062	23.5
123.11704	6.7
129.06982	5.9
130.08839	3.5
131.08556	5.5
133.06497	7.5
133.10139	38.7
135.08064	26.1
137.09612	38.3
139.07552	53.5
141.09128	4.3
143.08614	4.6
145.01736	6.5
145.10106	10.1
147.08034	13.1
147.11691	42.1
149.09586	5.8
151.11179	32.2
154.03883	17.2
155.10661	15.1
157.08650	24.3
161.09515	5.8
161.13278	34.9
163.04463	8.9
163.11165	6.6
163.14816	3.9
165.09062	4.2
165.12802	6.6
165.35141	3.2
171.11720	10.1
179.14270	17.5
182.07310	3.8
183.13753	4.3
189.12747	35.2
200.08849	6.3
201.05388	6.1
207.13812	62.5
222.08330	10.6
225.09283	4.5
225.14912	33.6
243.10139	19.5
243.15871	8.9
244.11742	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03935	1.4
55.01869	5.5
55.05516	8.9
56.96553	1.1
57.03443	34.2
57.07053	2.4
59.04995	1.8
59.73138	0.9
61.02921	1.9
65.03927	1.2
66.25870	1.0
67.05508	55.5
69.03435	5.9
69.07073	10.6
70.06577	2.1
71.04996	82.4
71.40233	1.7
74.38021	1.0
79.05078	1.3
79.05496	20.4
81.03438	1.7
81.07060	67.6
83.05000	6.0
83.08592	3.7
84.04507	14.2
84.08112	2.1
85.02891	2.1
85.06549	42.5
86.09718	19.5
87.04465	5.1
90.73003	1.0
91.05489	33.3
92.06805	1.1
93.07059	14.6
95.04960	4.0
95.08606	11.3
97.02865	1.4
97.06538	7.9
98.97572	3.4
99.04462	4.2
103.03958	7.9
105.07035	32.0
107.08597	20.8
109.06517	7.3
109.10160	30.7
113.06007	1.7
115.07635	1.5
117.06948	1.3
119.08607	2.5
121.10135	7.9
123.08067	5.3
123.11711	10.9
125.09633	2.1
129.10202	1.3
131.08582	2.7
132.10226	8.2
133.10130	40.5
139.11162	11.1
140.98387	1.2
149.09622	1.3
151.11194	62.1
153.12743	3.4
158.99666	2.2
161.09641	1.9
169.05032	1.4
169.12236	14.1
169.13503	1.5
173.13329	1.7
177.00723	1.3
179.10716	1.4
187.13376	1.2
190.00104	1.2
195.13966	1.2
197.12869	6.9
207.13782	1.1
222.08273	1.6
243.06416	1.7
243.15923	100.0
254.53847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03935	1.5
55.01876	5.5
55.05509	10.6
56.96593	1.2
57.03440	30.4
57.07063	2.6
59.04988	1.3
61.02906	2.3
63.16891	1.0
65.03935	2.0
67.05507	60.8
68.22222	1.0
69.03430	5.1
69.07063	10.4
70.06570	4.3
71.04996	81.1
71.51405	1.4
71.51770	1.3
72.08147	1.8
79.05492	23.4
81.03410	1.8
81.07059	62.1
83.04988	8.3
83.08617	3.2
84.04518	1.8
84.08157	9.9
85.02884	2.8
85.06545	43.4
86.09700	7.2
87.04471	2.2
91.05482	34.9
93.07045	16.2
95.04973	6.7
95.08601	12.6
95.86076	0.9
97.02882	1.8
97.06548	7.8
98.97595	2.4
99.04476	1.8
99.08070	1.4
103.03943	7.6
105.07034	33.9
107.07896	1.6
107.08598	22.7
109.06523	10.4
109.10162	33.0
109.30084	1.2
111.04462	1.5
111.08055	1.1
113.06017	2.6
119.08535	2.2
121.10110	5.4
123.04433	1.6
123.08054	5.6
123.11700	9.6
125.09596	1.6
126.12775	4.6
127.07521	2.0
131.08513	2.6
133.10135	42.2
135.11713	1.1
139.11209	5.8
147.08006	1.4
147.11665	1.7
149.02350	3.7
149.09622	1.7
151.11180	60.7
153.12723	5.2
169.08601	1.1
169.12257	15.4
172.08669	4.8
172.13268	4.9
189.09059	1.1
197.05949	1.5
197.12802	1.1
197.16476	2.1
198.06612	2.2
199.13300	2.4
207.13866	1.6
215.07028	3.9
215.11832	1.1
216.07703	2.6
225.07460	2.4
225.09369	1.7
225.14798	2.4
243.06490	4.5
243.08792	8.5
243.15904	100.0
259.56424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08214	3.9
53.03944	5.5
55.01866	6.9
55.05512	25.7
56.96558	5.1
57.03444	39.9
59.05008	3.5
61.02923	3.7
65.03951	3.6
67.05518	46.0
69.03424	11.8
69.07076	100.0
69.87013	12.5
69.87434	8.2
71.04997	60.4
73.06551	10.4
79.05502	37.2
81.07062	37.4
83.08631	22.7
85.06545	9.4
89.06030	7.5
91.05493	36.7
93.07053	73.2
95.04987	20.7
95.08618	75.7
97.06545	46.7
98.21428	4.6
98.97569	14.1
99.08100	8.7
105.07028	40.6
107.08602	58.8
109.06519	39.9
109.10167	29.7
111.04448	7.1
111.08080	30.4
113.06037	4.3
115.07577	89.5
116.98547	4.5
117.07029	8.2
119.08589	38.3
121.06536	23.5
121.10155	11.5
123.08072	15.1
123.11722	3.7
129.07022	4.2
131.08603	8.8
133.06505	4.7
133.10143	27.3
135.08090	21.3
137.09648	26.4
139.07555	36.4
143.08582	4.4
145.10123	12.4
147.08028	5.0
147.11700	33.9
151.11208	23.5
154.02477	3.4
155.10678	14.3
157.08667	18.7
161.13274	29.6
171.11661	9.0
179.14330	13.0
183.13805	5.0
189.12723	31.6
200.08803	11.3
207.13824	40.2
209.09399	3.9
222.08298	13.3
225.14703	18.9
243.10135	8.6
243.13814	5.7
243.17537	5.6
243.21245	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	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
53.97453	1.5
55.01875	9.0
55.05511	21.0
57.03440	39.1
57.07059	3.7
59.68982	1.7
65.03918	3.2
67.05507	90.2
69.03413	7.5
69.07064	16.1
70.06594	3.0
71.05000	41.1
71.52806	3.5
78.07607	1.8
79.05085	3.3
79.05497	37.8
81.07057	96.9
83.04971	8.3
83.08607	7.9
85.06550	23.2
86.09673	1.7
87.04444	5.3
88.42526	1.9
91.05485	60.4
93.07048	24.1
95.04951	8.1
95.08612	20.5
97.06536	10.8
98.97594	4.1
99.04456	2.3
104.74735	1.9
105.07034	48.5
107.08594	37.9
109.06511	9.3
109.09378	2.2
109.10164	37.9
111.08047	2.9
113.06033	2.0
113.09635	2.2
115.05451	2.3
117.07002	2.3
119.08551	2.8
121.10140	6.2
123.04508	2.1
123.08037	3.7
123.11697	12.5
127.07581	2.0
130.02541	2.2
131.08543	6.1
133.09137	2.6
133.10129	46.9
139.03912	2.1
139.11201	2.9
145.10004	2.9
145.74054	1.7
149.02336	2.9
151.11179	30.5
161.13242	2.1
169.12302	3.5
173.13313	3.2
193.08549	2.1
201.05609	2.6
211.09622	3.9
215.07101	2.5
219.68503	1.9
225.14656	2.3
243.06506	6.2
243.08727	2.3
243.15897	100.0
243.21130	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.2
58.06593	1.6
60.08168	4.0
61.02920	0.3
70.06590	0.3
70.24852	0.4
70.25251	0.4
73.02905	0.2
81.14354	0.2
84.08163	0.8
85.02908	0.5
90.31290	0.2
94.06570	0.9
98.97590	1.4
101.00869	0.3
103.45204	0.2
104.10751	100.0
105.11082	0.4
116.98639	0.4
119.01894	0.5
128.10712	0.3
131.01903	0.3
152.07051	0.6
165.04031	0.2
173.54790	0.2
177.00746	0.3
196.09720	0.5
201.02434	0.3
229.25491	0.2
241.15482	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	242.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
56.96571	0.5
57.03444	0.2
58.56762	0.2
58.57046	0.2
60.51788	0.2
64.84848	0.2
64.93970	0.2
65.85126	0.3
67.05502	0.4
67.46877	0.2
69.07069	0.4
69.45034	0.9
69.45437	0.3
70.06601	1.1
72.08138	0.3
79.05492	0.3
81.03413	0.2
81.07094	0.2
82.06582	0.5
83.04971	0.2
84.04492	0.4
84.08147	47.7
85.02930	0.3
86.09710	15.5
87.04476	0.3
91.05483	0.3
93.07030	0.3
95.08601	0.4
97.06528	0.2
98.09714	0.3
98.21494	0.3
98.97581	2.5
101.10785	1.9
105.07037	0.5
107.08614	0.2
110.07184	0.2
110.97579	0.2
111.09218	1.6
112.07597	0.3
112.89531	0.2
113.10756	0.2
116.98604	0.9
119.08587	0.3
121.06524	0.4
121.10156	0.4
125.23524	0.2
126.06617	0.3
128.98590	0.2
129.10246	100.0
135.08035	0.3
141.10217	0.4
149.06044	0.4
156.08087	0.3
158.99696	1.0
164.07106	0.2
168.06544	0.3
177.00764	0.6
181.23160	0.2
197.16492	2.0
205.12265	0.3
212.07085	0.6
212.57402	0.2
221.07549	0.6
221.57684	0.3
225.16008	2.0
230.08167	0.4
237.04863	0.2
242.18649	16.8
251.32135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
56.96567	11.8
57.03425	2.6
59.04996	2.1
61.02919	9.4
64.15530	0.6
68.05006	3.1
68.99768	1.2
70.06599	1.7
70.19450	3.0
70.28890	0.6
70.98122	7.4
71.04996	4.8
72.08116	0.8
73.02899	3.2
79.05479	1.6
81.07055	11.1
82.99834	0.9
83.06112	9.9
84.08134	2.2
85.02889	2.6
86.09704	1.6
87.08092	0.9
88.99169	1.6
89.00765	0.8
92.94905	0.7
94.06607	0.7
95.06093	86.1
97.00480	0.9
97.02833	0.7
98.97591	17.1
99.04442	1.1
99.97957	0.8
101.00864	2.6
101.02378	0.9
103.00622	1.0
106.01005	1.3
107.06053	1.1
110.97580	3.8
111.00286	1.5
112.01035	1.1
112.08730	33.1
113.00901	1.1
115.00616	0.9
116.98627	5.0
117.00233	1.4
117.01847	2.7
118.00999	1.3
119.01975	3.5
120.02020	0.7
121.01740	1.9
121.07594	1.0
126.00746	1.8
127.01523	1.8
127.03886	1.0
128.98595	3.0
129.01915	0.9
129.10216	3.0
130.99982	0.9
131.01901	1.5
132.00731	1.5
133.01564	1.8
134.99625	1.0
135.03203	1.0
139.01480	1.3
140.00400	0.8
140.98514	1.6
141.01245	1.6
142.01923	0.8
144.99770	1.0
146.00546	1.0
146.99643	2.1
147.01242	1.8
148.02031	1.1
148.03865	1.9
151.12291	2.1
152.00511	1.4
154.03886	0.7
154.96515	2.5
156.01752	1.8
157.02577	2.6
158.99640	2.7
160.00233	2.8
160.02931	1.1
161.00995	2.5
161.03021	1.0
163.12314	30.6
165.00684	1.2
165.02289	0.9
165.07419	1.0
170.01401	0.8
170.99615	0.8
172.97595	4.0
173.01088	1.3
174.99272	1.3
175.00784	5.0
177.00729	2.4
181.00694	1.3
181.13338	1.6
182.01347	4.3
184.01347	1.3
187.00908	0.8
189.00711	0.8
190.01205	1.3
190.51385	1.6
190.98619	2.3
191.02069	7.2
192.14928	1.3
193.13396	8.0
196.01239	1.3
200.02380	1.4
200.96994	0.8
201.00742	1.3
201.02454	5.0
205.00183	1.9
205.01884	1.1
210.16019	20.0
211.01823	1.2
218.98143	2.9
219.01726	5.0
219.03595	3.2
225.15961	8.9
226.02374	1.2
236.99303	1.0
237.02759	1.9
242.03421	1.4
242.09152	2.3
242.15941	8.4
242.18617	100.0
259.99991	1.2
263.00803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94963	0.4
55.01867	0.8
55.05510	0.7
56.96572	2.5
57.03427	1.7
58.06603	17.9
60.08155	1.1
61.02654	0.6
61.02933	6.6
69.03426	1.7
69.97243	1.7
70.06595	3.2
70.98096	0.6
70.99818	0.7
72.08178	0.6
73.02931	0.6
81.03433	0.8
82.99870	0.6
83.34403	0.5
84.08143	9.1
84.96023	0.5
85.02912	2.8
89.00883	0.4
95.08602	1.1
95.88844	0.4
97.02870	0.8
98.09681	1.3
98.20814	0.5
98.97607	3.3
99.04451	0.6
100.02515	0.9
100.11253	0.7
101.00881	3.7
101.02417	0.5
102.00964	0.5
104.10748	35.7
110.97546	0.6
113.00880	3.2
113.02392	1.5
114.00959	1.8
115.02425	1.3
116.02563	0.6
116.07117	0.6
116.98605	1.0
119.01930	7.2
120.01986	0.7
120.67005	0.4
123.08064	0.5
124.95502	0.5
126.05560	0.4
126.98785	0.7
127.02442	0.5
127.03942	0.6
128.10715	3.4
129.03989	0.5
131.01918	7.5
132.02066	2.3
133.01668	0.7
133.03459	2.7
134.03592	0.7
135.01266	0.5
137.02788	0.5
139.02432	0.7
141.01309	0.5
143.01921	1.3
143.03572	0.5
144.10132	1.0
144.99809	1.1
145.02464	0.6
145.03479	1.7
146.03609	1.3
146.99638	0.4
147.03008	0.7
149.02939	1.1
150.01880	0.4
150.03058	0.5
153.02217	0.8
154.03581	0.6
155.01843	0.7
155.03630	1.6
157.03494	2.2
159.01390	0.6
159.05104	0.4
160.01445	0.5
161.02963	0.9
163.04463	0.6
167.02016	0.5
168.10219	1.1
168.99803	1.0
169.01514	0.4
171.01373	0.4
172.99359	0.9
173.01459	0.4
173.02986	1.5
173.04492	0.5
174.02963	0.4
174.99179	0.5
175.00758	0.4
176.01003	0.6
177.00801	0.6
177.02431	1.2
180.99867	0.4
181.01674	1.3
181.03331	0.6
181.42404	0.4
185.03012	1.0
187.00876	1.1
189.02400	0.8
190.02185	1.3
191.04018	0.7
196.09706	4.8
197.01143	0.5
197.02971	0.9
199.00856	1.4
199.02678	4.5
199.04491	0.6
200.04071	0.4
201.02470	0.8
203.04099	0.8
205.02028	1.0
211.02763	0.6
211.04630	0.4
211.08101	2.0
213.02486	0.7
213.15964	0.7
215.00439	0.9
217.00116	0.4
217.01898	0.6
217.03682	0.7
218.02121	0.8
219.03693	0.9
220.03462	0.5
220.53410	0.5
223.08168	1.1
229.03911	0.5
229.09247	0.8
236.03079	1.1
241.03732	1.4
241.09224	2.1
241.15485	100.0
242.15863	0.6
245.05151	0.7
258.99710	0.7
259.05017	0.7
259.10315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.68694	3.4
53.03926	5.0
55.01862	13.2
55.05510	21.4
55.23209	3.2
56.96563	7.7
57.03431	21.0
57.07059	5.1
61.02904	4.7
67.05181	4.0
67.05507	38.8
68.99776	5.1
69.03426	31.2
69.07072	26.5
69.07402	5.8
70.06593	22.9
71.04977	10.2
71.52137	5.7
72.08140	15.2
73.02905	4.3
79.05495	46.7
81.03389	11.5
81.07057	38.7
83.04981	35.2
83.08639	9.1
84.08146	18.7
85.02894	13.0
85.06539	5.2
86.09711	22.6
87.04443	4.1
91.05477	46.1
93.07046	71.7
95.04973	28.2
95.08605	32.0
97.02898	6.4
97.06553	20.4
98.97575	26.7
99.04439	13.5
103.05466	8.9
105.07033	44.5
107.04932	11.4
107.08602	41.6
109.06526	38.4
109.10160	27.1
110.07159	10.5
111.08077	11.0
116.98643	5.4
117.07026	13.8
119.08582	34.2
120.08047	7.6
121.06519	54.8
121.10146	45.5
122.07264	4.9
123.04491	6.9
123.08066	41.9
125.05970	12.5
125.09637	8.0
127.03822	5.2
129.06978	8.7
129.10214	5.3
131.04868	4.4
131.08562	28.7
133.10117	20.3
135.08058	24.1
135.08992	3.8
135.11674	13.4
136.26715	4.5
137.08549	4.9
137.09625	100.0
139.07506	11.7
139.11133	10.2
141.07011	4.7
143.08531	5.2
145.06435	4.8
145.10141	18.1
147.08047	9.8
147.11658	6.6
149.05978	54.9
149.09636	30.0
151.07553	5.1
152.06195	6.5
156.07695	8.1
157.08780	3.7
157.10133	7.3
159.08058	6.5
159.11678	26.1
161.09621	14.6
163.07562	7.9
163.11127	22.4
165.09106	24.6
167.06976	11.4
167.08466	9.7
167.10608	5.6
175.11206	16.1
175.93106	3.5
177.00777	5.0
177.12691	26.1
179.10699	25.4
181.04910	5.3
181.06447	7.8
181.08636	4.5
183.10123	4.9
187.11156	12.7
193.12289	8.5
195.08086	11.0
197.06067	5.9
205.12241	47.4
213.05530	7.0
213.09134	6.6
221.07501	16.6
222.67940	3.7
223.07654	5.9
223.13300	26.5
226.06279	5.1
241.04901	10.1
241.08524	66.1
241.14064	26.9
254.15012	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85844	0.2
53.92107	0.2
55.05519	1.3
56.05010	0.3
56.96555	0.6
57.03426	0.2
57.07067	0.3
59.04992	0.5
61.30262	0.2
67.05481	0.7
69.07050	0.8
69.99522	1.0
70.06570	0.6
72.04501	0.9
74.06065	0.6
79.05481	1.0
81.03414	1.1
81.07079	1.9
82.03761	0.3
82.06586	0.4
83.08614	0.5
84.08150	0.3
86.09714	0.3
91.05453	0.7
92.05819	0.2
93.07060	1.6
94.06566	0.5
95.08616	1.4
96.08122	0.5
97.02855	0.3
98.20780	0.5
98.97581	2.0
100.07624	0.4
101.08613	0.2
103.07564	0.7
105.07051	0.5
106.06540	0.3
107.08566	1.3
108.08109	0.9
109.08891	0.3
109.10133	0.3
110.09709	0.4
110.17654	0.2
110.97548	0.6
111.08055	0.3
112.07603	0.7
112.08408	0.2
116.98615	0.5
119.04947	0.2
119.08581	0.3
120.08874	0.3
121.06501	0.3
121.10091	0.3
122.09649	1.1
123.11692	0.3
124.07600	4.3
126.09180	0.4
128.10655	0.3
128.98581	0.6
133.10144	1.2
134.06006	0.3
135.10387	0.3
135.11674	1.0
136.11223	1.5
137.13197	0.5
138.09132	1.0
139.09938	1.2
140.10709	0.8
141.22646	0.2
142.12279	1.5
150.12759	1.5
151.13535	0.7
152.07092	0.6
152.10684	1.6
152.14381	0.5
153.11504	0.8
154.12296	2.9
158.99664	0.5
161.09631	0.8
166.12283	3.7
167.13100	1.5
168.13846	1.2
177.00699	0.4
178.05745	0.7
178.15913	0.6
179.10651	0.8
180.06604	0.3
187.06187	0.5
194.11728	0.2
194.15425	1.9
196.16977	100.0
197.17284	0.7
198.07771	0.3
198.18567	1.4
199.06184	0.6
208.06740	1.4
217.01680	0.3
217.07275	1.2
219.57610	0.4
226.07304	0.7
240.03165	0.3
240.19600	61.1
241.19896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
56.05004	0.6
57.03429	1.4
58.06324	0.4
58.06602	7.2
59.45005	0.4
64.27088	0.3
65.03933	0.4
67.05506	10.5
69.07072	6.3
70.06575	0.8
71.04987	0.5
72.08147	0.9
79.05490	5.6
81.07056	10.7
82.06576	0.8
83.08618	1.4
84.08131	1.4
91.05460	1.1
93.06480	0.7
93.07045	8.5
95.08614	15.0
96.08129	1.1
96.08904	0.4
97.06528	0.5
97.10175	0.7
98.06070	0.8
98.09695	3.2
105.06951	0.4
107.08610	5.0
108.08103	0.5
109.10172	3.3
112.11274	0.5
121.10136	3.4
123.11684	1.2
124.11214	1.2
135.11676	4.2
140.14287	0.4
142.12248	1.6
149.13271	2.3
151.55627	0.3
152.14313	1.2
163.14862	0.8
194.11800	0.6
222.07558	0.4
222.22173	100.0
223.22462	0.6
240.12581	0.6
240.19556	1.2
240.23227	24.2
241.08571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1436
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.11302	1.6
52.95258	1.5
53.03922	3.3
55.01854	6.6
55.05513	14.9
56.96568	1.8
57.03417	5.8
57.07056	6.4
59.05006	8.8
65.03915	1.7
67.05505	14.7
69.03432	13.6
69.07075	15.7
71.04999	9.6
71.51394	1.4
71.51773	2.4
72.04501	3.1
73.02907	2.9
79.05497	21.5
79.12735	1.4
81.03419	3.1
81.06658	1.8
81.07066	22.4
83.04989	13.8
83.08215	1.4
83.08627	14.4
84.08134	1.6
84.69152	1.6
85.02920	19.4
85.06545	26.7
86.09665	2.1
91.05479	9.6
93.07045	27.0
95.04967	3.8
95.08604	13.4
97.02871	2.9
97.06532	26.8
97.10162	3.2
98.97561	4.3
99.03868	2.2
99.04465	33.4
100.11259	19.7
101.02370	4.5
105.03381	6.2
105.07033	9.7
107.04921	4.1
107.07896	2.4
107.08595	41.8
109.02830	2.3
109.06497	4.6
109.10136	5.3
111.04421	4.4
111.08066	6.5
113.06012	20.0
115.05416	2.4
116.98563	2.5
117.06986	2.4
119.08585	11.7
121.06503	7.7
121.10148	35.3
123.08053	3.9
123.11708	10.9
125.06002	75.9
125.09640	59.7
128.06198	2.4
129.06958	5.8
131.08562	5.8
133.10103	3.1
135.08014	6.4
135.11684	11.2
137.05992	4.0
137.09630	9.3
139.07547	25.0
139.11142	3.8
141.06976	2.9
141.12732	4.7
142.07809	2.2
142.12274	8.7
143.08546	2.2
143.11731	1.9
145.10120	15.7
145.56108	1.8
147.08032	3.1
147.11688	2.7
149.06003	12.6
149.09621	6.2
149.13199	2.5
151.11143	1.7
152.06207	9.3
153.06963	3.5
153.12737	8.0
157.06494	4.6
157.10112	4.2
159.11670	4.6
159.14957	16.2
161.13235	1.9
163.07501	6.0
163.11192	12.0
165.06987	3.6
165.09067	3.0
167.04877	2.6
167.07013	42.8
167.08533	18.7
167.10022	1.6
167.10649	3.6
169.06451	1.9
170.07236	3.5
171.04533	2.0
171.07977	2.4
171.11626	2.5
177.07039	2.0
177.12785	12.1
180.05606	4.1
181.06343	3.6
181.12248	17.9
182.15376	3.2
183.10167	10.6
184.05272	8.0
185.05951	4.9
185.09612	5.4
185.13182	1.9
195.04610	2.1
195.06320	2.2
195.08029	31.0
195.13800	7.3
197.06001	8.2
198.06705	8.6
199.04068	2.7
199.07468	4.6
199.13269	3.8
199.17990	3.8
205.10471	2.9
205.12259	42.1
212.04674	5.1
212.08334	2.9
213.05498	8.1
213.09029	14.3
223.07411	22.4
223.13310	61.6
223.15459	4.0
226.06293	11.4
234.08545	1.9
241.08563	100.0
241.14137	16.6
241.19235	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	240.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05511	0.6
56.05034	0.5
56.96566	3.8
57.03437	0.5
57.07087	0.6
59.05006	0.5
61.02928	0.7
65.03957	0.3
67.05502	0.7
67.55595	0.2
68.05050	0.2
69.03425	1.1
69.07076	0.6
69.71742	1.2
70.06598	1.3
70.98124	1.6
71.01358	0.3
71.05005	0.5
72.08167	0.9
73.02921	0.4
73.06558	0.6
74.06084	0.3
78.03463	0.7
79.05495	0.6
80.05031	1.9
81.03433	0.4
81.07076	1.6
82.00030	0.2
83.04980	0.2
83.08611	0.4
84.04520	0.4
84.08156	1.6
84.96054	0.6
85.02908	1.3
85.06512	0.2
86.09743	0.3
87.04484	0.5
87.38580	0.2
88.99168	0.6
89.00774	0.5
91.00534	0.4
91.05481	0.5
94.06485	0.2
95.06232	0.2
95.08602	0.3
96.04493	1.3
97.02899	0.9
97.06487	0.3
98.01339	0.5
98.97589	3.7
99.08076	0.3
101.02398	0.3
101.21558	0.2
103.03963	0.4
103.05472	0.7
104.03152	0.2
105.07040	1.8
106.02924	0.4
107.04962	1.0
107.96030	0.3
109.10167	0.2
110.07162	0.2
110.97556	0.9
112.01045	0.4
115.42575	0.2
116.03458	0.2
116.98627	0.9
118.01073	0.2
119.01868	0.3
120.08118	2.0
121.06496	0.4
124.03964	100.0
124.99111	0.3
125.04324	0.3
125.05961	0.2
126.00775	0.3
127.03916	0.4
128.02335	0.3
128.98622	0.9
129.07013	0.3
129.10240	0.7
130.06528	0.5
132.00841	0.4
132.02568	0.3
132.08116	1.8
133.01503	0.3
134.09647	0.4
135.04471	0.2
135.06841	1.4
136.06201	0.6
136.07663	0.3
141.01286	0.5
143.00172	0.3
146.00493	0.5
146.04144	0.4
146.09561	0.2
146.99657	0.7
147.03275	0.7
147.04390	0.3
154.02078	0.4
155.01028	0.8
155.04662	6.6
158.09685	0.3
158.99643	1.7
161.01233	0.4
162.09154	0.9
163.03954	0.3
164.05182	1.6
165.00768	0.5
165.04314	0.4
166.03856	0.4
166.55489	0.4
167.06870	0.2
167.98036	0.3
170.99670	0.2
174.99059	0.3
175.02882	0.3
175.04491	0.6
176.10681	0.4
177.00696	1.6
184.03139	0.6
186.99222	0.4
189.00563	0.3
189.04245	0.3
194.11768	5.8
195.01816	0.2
195.04219	0.3
201.04437	0.4
203.02161	0.3
205.00092	0.3
208.04948	0.5
216.98172	0.3
217.00197	0.6
217.03673	0.2
217.05580	0.6
219.01790	0.3
222.11250	1.2
223.01262	0.2
231.07085	0.6
235.01259	0.6
240.05045	26.8
240.12328	4.7
240.15887	0.3
245.03325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0868
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
53.03949	0.8
55.01876	1.1
55.05509	1.8
56.05044	0.8
56.96567	1.5
57.03436	2.2
58.03755	0.7
59.04987	1.6
60.04520	1.0
60.34180	0.7
65.03944	0.7
65.79468	0.6
67.05495	2.2
69.03434	13.6
70.02943	0.8
70.06605	4.9
70.46841	1.2
71.04981	1.0
72.08150	3.3
72.33984	0.7
72.61069	0.8
72.93776	0.9
73.02923	1.1
79.05496	0.9
80.05018	1.5
81.03426	9.6
81.07066	1.9
82.03764	4.7
82.06613	1.0
83.04971	0.9
83.08614	0.9
84.04518	1.2
84.08152	5.2
85.02937	1.7
86.09714	1.7
87.04473	35.4
91.05479	2.4
92.05798	1.2
93.07060	1.7
95.08592	1.3
97.02899	0.9
98.20824	0.8
98.97585	2.8
103.07541	1.0
106.06573	1.1
107.05034	0.8
108.04486	4.4
111.03205	3.6
113.74725	0.7
116.98644	0.7
119.01798	0.7
119.08576	1.4
120.08145	6.5
120.08916	1.1
121.06509	1.3
123.08084	1.2
124.03938	0.7
126.05534	16.3
127.03934	0.8
129.10242	1.3
134.06050	3.8
135.06818	3.0
136.07544	1.2
137.06042	0.8
137.09618	1.1
138.05487	1.7
138.09996	1.4
141.02008	0.9
148.07530	1.5
150.09169	1.0
151.07533	1.0
152.03621	0.9
152.07060	6.5
154.05002	32.8
158.99736	1.2
162.05498	3.7
165.09131	1.1
166.08659	2.4
176.07201	0.8
179.07135	1.1
184.05276	0.7
194.08127	10.2
204.06621	0.9
209.36424	0.8
212.09288	3.4
222.07635	21.5
222.11145	1.1
240.08710	100.0
240.12857	5.9
240.16040	2.4
240.19627	1.0
240.23042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
53.22815	3.5
55.05525	25.5
57.03430	4.6
57.07069	8.1
57.27731	3.2
65.03953	3.6
67.05177	5.5
67.05511	54.4
69.07053	15.6
69.85770	15.7
71.04984	6.4
79.05084	4.9
79.05508	70.9
81.03417	13.2
81.07073	49.9
83.04992	25.3
83.08611	16.1
85.06544	4.3
89.06039	33.0
91.05488	61.7
93.06495	6.5
93.07054	100.0
95.04961	15.8
95.08150	3.5
95.08620	36.5
97.06538	9.7
97.10152	6.8
98.21383	4.9
99.04450	21.6
105.07049	46.3
107.08618	20.7
109.06449	8.7
109.10168	7.2
111.24545	4.0
115.05455	5.1
117.07005	11.7
119.08601	37.6
121.06514	6.5
121.10152	13.1
123.08044	10.0
127.07609	5.2
129.07027	23.7
133.08614	12.8
133.10132	16.3
137.05957	5.6
137.09610	4.6
141.07007	5.4
143.08559	14.1
145.10130	16.2
147.07996	5.1
147.11705	61.6
150.43082	4.1
155.08534	4.5
157.10112	5.2
161.09618	9.8
161.13297	17.6
169.10112	12.9
171.11710	43.5
179.08632	6.6
183.11707	12.2
189.12791	19.7
195.11723	5.1
197.13275	13.5
198.18546	4.3
207.13853	21.0
211.14806	5.4
221.11664	5.9
239.08943	42.6
239.14343	9.9
239.18167	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01887	4.7
55.05517	24.8
56.05042	12.2
57.03450	10.0
57.07093	12.8
58.66414	2.1
59.05016	15.8
67.05511	26.6
69.03420	5.2
69.07077	31.8
71.04994	13.2
71.08620	4.5
71.41182	2.6
79.05513	18.3
81.03428	28.3
81.07067	70.8
83.04989	6.1
83.08633	18.1
85.02903	6.1
85.06532	9.0
86.09718	100.0
89.06060	4.5
91.05489	16.3
93.07057	27.2
95.04956	7.5
95.08620	69.1
97.06552	12.6
97.10164	12.4
97.32246	2.0
98.06081	5.7
98.70797	2.2
99.04456	6.6
99.08100	7.0
105.03405	2.3
105.07043	22.8
107.08607	37.2
109.02914	2.7
109.06520	8.3
109.10161	36.0
111.04453	5.4
111.08098	6.2
111.11732	9.3
113.09704	3.0
115.07590	2.9
117.07019	4.2
119.08587	29.7
121.10159	24.2
123.08087	11.8
123.11724	25.0
125.09644	9.5
126.05531	16.8
127.11210	3.0
131.08548	3.1
133.06590	2.4
133.08531	2.2
133.10149	22.7
135.11707	25.3
137.05986	6.8
137.09644	11.8
137.13284	48.0
139.07568	2.7
139.11201	14.7
141.09090	2.7
143.08504	2.1
143.10664	7.2
145.10146	4.4
147.08098	3.0
147.11688	21.7
149.13292	10.4
151.07504	2.5
151.11179	8.7
153.12747	6.3
155.08563	2.5
157.12263	4.6
159.11754	2.5
161.09560	2.8
161.13243	11.9
163.14841	17.9
165.09087	6.2
165.12804	7.6
171.85002	2.1
172.56609	2.5
175.11191	2.8
175.14949	5.3
177.16403	6.0
179.10718	2.6
183.11751	4.7
185.13364	4.5
185.90446	2.1
193.12312	3.4
193.19510	3.4
197.13275	6.1
203.14299	3.4
203.17973	40.1
221.11662	4.7
221.15425	8.8
221.19029	48.7
239.07385	2.3
239.08990	21.1
239.12541	11.4
239.16199	3.7
239.18010	11.3
239.20117	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	237.185
Annotation	Atlantolone
Peak:m/z	Relative Intensity
51.91008	1.4
53.03940	1.9
53.53465	1.4
55.01881	2.4
55.05283	1.7
55.05518	23.7
56.96558	3.3
57.03427	3.2
57.07084	8.4
59.04992	1.6
67.05508	18.0
68.34856	1.3
69.03421	5.9
69.07072	24.2
69.98452	5.4
70.63026	1.2
70.67938	1.2
71.04995	6.6
71.77592	1.4
79.05493	14.8
81.03420	4.0
81.07063	41.1
83.04989	100.0
83.08605	10.2
85.02910	10.8
85.06541	7.5
91.05477	12.2
93.06493	2.1
93.07053	32.3
95.04962	7.3
95.08613	30.4
97.06528	8.8
97.10170	3.9
99.04446	3.2
99.08072	2.5
103.05484	1.3
105.07036	15.3
107.04943	1.8
107.08589	21.1
109.06520	21.5
109.10159	21.8
110.58672	1.2
111.04437	1.9
111.08099	6.3
111.08701	1.2
111.11728	3.4
113.05996	2.4
117.07040	6.2
117.50218	1.2
119.08595	13.9
121.06523	16.5
121.09318	2.4
121.10143	25.1
122.06823	9.1
123.08061	8.3
123.11710	16.3
125.05965	1.3
125.09646	4.8
127.07516	1.9
129.07080	2.0
130.07709	1.6
131.08588	8.4
133.10117	10.0
135.08063	15.2
135.11713	20.8
137.05965	4.4
137.09631	3.2
137.13290	2.7
138.09129	2.6
139.07582	2.3
139.09526	2.0
139.11176	4.1
144.09396	1.9
145.10123	11.8
146.06000	2.3
147.11691	7.3
149.09647	5.4
149.13261	8.5
151.07489	3.5
151.11153	3.3
153.05441	1.8
153.12749	1.9
157.10149	2.1
159.11714	20.4
161.09679	1.8
161.13260	8.2
163.03894	2.5
163.07526	4.0
163.11191	13.0
163.14853	3.6
165.12756	2.8
173.13269	6.4
175.11327	1.2
175.14798	2.2
177.05453	1.6
177.09207	1.4
177.12752	12.8
177.16409	3.9
179.10692	1.6
181.08620	3.5
181.10138	2.1
181.12263	1.9
190.98483	2.0
191.07156	2.0
191.10655	4.1
191.14340	2.8
191.17953	5.0
192.06488	2.0
199.38251	1.3
201.12785	2.1
201.16389	12.0
205.12280	1.9
207.11618	2.3
208.99712	1.3
209.09731	1.5
209.13295	1.6
212.08115	1.4
219.10132	3.6
219.13802	5.6
219.17470	37.5
222.13902	2.1
237.09218	2.7
237.11098	4.5
237.14687	33.9
237.18492	31.3
237.22179	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	238.1075
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
56.96563	0.6
57.64243	0.3
60.02847	0.3
70.06591	0.6
70.63650	0.8
72.08161	2.0
79.05504	1.5
84.08150	1.5
86.09723	0.5
90.05561	0.6
91.05471	2.6
103.05469	3.6
105.07037	18.3
106.06596	0.5
107.04973	1.5
115.05470	2.5
117.05762	5.6
119.07334	5.9
120.08066	0.6
124.19543	0.3
129.10257	0.5
130.06535	6.9
131.04915	1.1
132.08098	83.2
135.04456	0.4
135.08066	5.2
136.06210	0.7
149.06000	0.4
150.09174	0.5
163.03934	1.5
178.08650	4.6
192.10201	100.0
238.10741	9.7
238.12917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1279
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03950	2.8
55.01867	5.1
55.05243	1.6
55.05510	8.0
56.96544	1.7
57.03440	7.2
57.07072	5.7
57.58889	1.6
61.02928	12.5
67.01871	2.4
67.05507	13.5
68.02053	1.8
69.03423	8.1
69.07060	7.3
70.06567	3.0
71.01361	4.5
71.05003	8.8
71.08632	2.7
71.50885	2.5
72.08167	2.5
73.01613	1.5
75.90032	1.8
79.05502	14.5
81.03421	21.8
81.07053	19.9
83.04990	12.6
83.08617	5.1
84.04504	2.8
84.08130	8.4
85.02905	3.4
85.06516	2.6
86.09728	2.9
87.04456	1.9
89.06016	5.0
91.05477	21.5
91.85803	2.0
92.06644	1.7
93.07045	16.0
95.04970	9.6
95.08596	16.5
97.06541	1.8
99.04475	5.7
105.03376	3.3
105.07036	19.2
107.04956	8.1
107.08607	14.0
109.02881	1.9
109.06522	12.6
109.10165	12.0
111.04439	22.4
111.08100	4.9
115.05473	3.2
117.07033	5.8
119.04958	8.2
119.08582	20.1
121.06503	12.9
121.10142	11.1
123.04400	2.3
123.08070	6.4
123.11726	5.7
125.06017	3.0
129.05490	30.8
129.06976	2.8
129.10260	3.3
131.08569	6.3
133.06520	4.5
133.08601	3.8
133.10130	23.3
135.08066	44.5
136.07539	3.1
137.05989	9.5
137.09628	14.4
139.07605	1.7
142.07802	5.7
143.08577	5.7
145.06522	3.3
145.10109	10.6
146.07234	2.8
147.04451	2.3
147.08038	4.7
147.11725	4.9
149.09627	100.0
151.07529	4.7
151.11183	21.1
155.03427	2.1
157.10129	12.8
159.08142	1.9
160.08833	5.5
161.09628	44.3
163.07555	3.3
163.11192	9.5
165.05502	5.7
165.09097	12.6
173.09682	4.3
175.11191	35.1
176.41441	1.9
177.09203	9.5
179.07066	2.1
179.10722	12.2
181.08551	4.8
183.06517	4.3
185.09592	3.8
188.08350	2.2
191.10681	11.7
193.12306	7.4
196.05174	4.3
203.10670	17.0
209.11685	3.5
211.07603	6.5
220.82341	2.1
221.11705	19.3
239.06703	3.7
239.08934	50.9
239.12726	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03941	0.8
55.01880	3.5
55.05514	4.5
56.96572	0.6
57.03423	1.2
57.07077	1.2
59.04983	0.6
65.03958	0.5
67.05192	0.7
67.05516	8.9
68.51597	0.4
69.03442	2.4
69.07072	7.1
71.04987	1.9
71.51792	0.8
73.06474	0.4
79.05506	6.3
81.03410	0.6
81.07060	15.1
83.04990	2.9
83.08629	3.0
85.06561	1.0
90.71603	0.5
90.97656	0.4
91.05486	3.9
93.07047	9.2
95.04966	6.1
95.08070	0.7
95.08623	10.2
97.06534	10.0
97.10177	0.7
98.97587	1.4
99.08092	1.1
103.05473	1.0
105.07029	7.6
107.04928	1.2
107.08604	8.4
109.06535	3.5
109.07149	0.6
109.10162	8.4
111.04455	0.5
111.08089	21.5
115.05443	0.7
117.07002	2.3
119.08579	5.9
121.06490	3.2
121.10146	8.5
123.04418	0.7
123.08086	5.8
123.11711	7.8
125.06010	0.9
125.09637	1.6
129.07036	1.4
131.08574	3.7
133.06511	0.7
133.10124	3.8
135.08051	5.7
135.11696	4.5
137.05978	0.7
137.09608	1.5
139.07518	1.2
143.08586	0.6
145.06516	0.5
145.10139	5.3
145.84908	0.4
146.06050	0.8
147.08063	0.9
147.11694	4.4
149.05931	0.5
149.09634	11.9
149.13248	1.8
151.07555	2.0
151.11168	1.1
157.10147	1.0
159.08063	1.3
159.11700	5.7
160.08855	2.3
161.09586	1.5
161.13287	7.1
163.07555	1.1
163.11185	9.6
163.14821	1.8
164.12001	0.6
173.13248	2.4
174.06860	0.6
175.11258	1.1
175.14760	0.9
176.08308	0.8
176.11987	0.8
177.00648	0.5
177.09087	0.9
177.12730	2.0
177.16408	1.5
177.50833	0.5
179.14362	1.1
181.12267	1.0
183.11633	0.5
189.12756	8.5
191.07033	0.6
191.10661	4.3
191.14297	1.2
191.17973	1.0
193.03169	0.6
193.12250	8.2
201.12791	1.4
201.16385	4.7
202.37929	0.4
204.07634	0.5
204.15105	10.3
219.10306	4.1
219.13887	2.6
219.17453	100.0
220.17780	0.6
237.09047	1.0
237.11024	3.6
237.14694	3.7
237.16818	0.8
237.18527	14.7
237.22124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85122	1.1
53.03953	1.6
54.54414	1.0
54.62707	0.9
55.01852	2.8
55.05514	9.9
56.96556	4.7
57.03430	1.0
57.07063	3.3
65.03941	1.0
67.01855	2.2
67.05182	1.8
67.05507	23.2
69.03416	4.5
69.07072	11.5
71.04986	5.2
71.52113	1.0
79.05492	15.5
81.03394	2.1
81.07058	43.3
83.04991	8.0
83.08633	6.6
85.02906	95.0
85.06544	5.2
91.05476	12.8
91.70406	1.0
93.06488	1.3
93.07047	18.8
94.58785	1.1
95.04955	6.8
95.08612	44.6
97.02911	4.7
97.06540	10.6
97.10162	4.2
98.32330	1.0
99.04469	1.2
99.08100	2.2
100.99126	1.7
103.05451	1.8
105.03378	2.1
105.07027	10.9
107.04955	2.7
107.08582	14.8
108.84589	1.1
108.96756	1.2
109.06513	5.3
109.10155	13.5
111.04420	1.9
111.08073	6.6
111.11723	1.1
113.05989	6.1
113.08302	0.9
113.09653	1.6
117.07020	2.9
119.08560	15.8
120.08106	1.3
121.06493	3.4
121.10148	9.0
123.08072	6.3
123.11703	5.8
125.05997	1.6
125.09632	2.6
127.07533	1.8
131.04961	1.2
131.08560	5.7
133.10124	9.8
135.08063	4.6
135.11708	10.4
137.05943	1.4
137.09631	3.3
137.13260	4.4
139.11182	2.0
141.09079	1.2
143.08560	1.2
144.58794	1.2
145.06459	1.7
145.10176	6.1
146.06111	2.3
146.07213	1.4
147.11723	2.2
149.09641	2.2
149.13257	6.6
151.07536	4.1
151.11247	1.3
151.14812	1.7
157.10176	1.2
159.07962	1.2
159.11725	7.2
160.08841	3.7
161.09679	1.6
161.13254	14.8
163.03957	2.1
163.07553	1.7
163.11208	2.6
163.14877	1.8
167.08548	1.6
173.13248	2.4
175.14784	1.5
177.09114	3.1
177.12700	3.2
177.16437	2.1
179.14294	3.9
181.10144	1.3
189.09099	1.0
190.98621	1.3
191.10660	5.2
191.14297	2.2
192.06560	1.5
192.98274	1.0
195.11703	2.8
195.13815	1.0
195.17447	3.1
201.12633	1.0
201.16397	4.4
208.99750	1.8
219.10197	5.8
219.13785	4.5
219.17445	7.0
219.21049	1.4
226.66347	1.1
237.05527	1.3
237.07486	2.0
237.11179	3.4
237.14725	11.7
237.16812	4.2
237.18501	100.0
237.21875	5.6
259.09625	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	237.1851
Annotation	Deodarone
Peak:m/z	Relative Intensity
53.03933	1.6
55.01868	2.1
55.05513	9.5
57.03428	1.3
57.07067	2.5
59.66625	0.9
61.79170	0.7
66.61901	0.8
67.01851	2.6
67.05186	1.2
67.05511	17.3
69.03414	2.3
69.07079	9.8
70.10330	2.3
71.04989	4.9
71.08620	0.9
79.05503	12.1
81.03405	1.4
81.07062	35.3
83.04978	5.8
83.08630	4.7
85.02913	90.6
85.06544	3.7
87.04474	0.9
91.05485	10.7
93.07052	14.0
95.04975	18.1
95.08616	35.1
97.06539	7.6
97.10172	2.7
99.04493	0.9
105.07040	12.3
107.04948	2.0
107.08598	10.9
109.06557	4.4
109.10162	6.6
111.04459	1.1
111.08067	3.5
113.06020	6.1
117.07028	4.4
119.08598	11.4
121.06511	2.7
121.10175	6.0
123.08060	4.8
123.11687	1.2
123.55609	0.7
125.05996	1.2
125.09665	1.8
127.07520	1.6
129.06975	2.1
130.07797	1.0
131.08574	5.4
133.10141	6.3
135.08096	4.1
135.11736	7.7
137.09598	1.9
137.13269	4.4
139.07556	1.4
139.11099	1.3
141.09093	1.5
145.10130	4.5
146.06046	1.4
147.11705	0.9
149.02367	1.2
149.09607	1.9
149.13248	2.3
151.07506	1.4
151.11111	1.1
151.14893	0.9
153.09036	0.9
155.08527	1.2
157.10162	0.9
159.11732	6.1
160.08839	2.7
161.09648	1.2
161.13278	19.8
163.07536	1.5
163.11208	1.9
163.14807	1.2
169.10097	1.2
173.13249	2.5
174.74466	0.8
175.11130	1.1
177.09125	1.8
177.12790	1.6
177.16336	1.7
179.14311	3.1
181.08582	1.1
181.10130	1.4
183.11670	0.9
191.10672	3.2
192.06444	0.8
193.10043	0.9
195.11710	2.5
195.17537	3.7
201.12880	1.4
201.16370	3.5
207.11739	2.4
208.12564	1.1
209.13235	0.9
219.10167	4.6
219.13800	3.4
219.17393	4.0
222.14008	1.3
237.09210	1.4
237.11105	2.1
237.14775	11.3
237.16798	4.2
237.18512	100.0
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
53.03948	4.5
55.01885	4.9
55.05517	16.6
56.96565	11.1
57.03426	4.9
57.07060	7.6
59.04998	4.8
59.74097	2.3
67.05244	2.5
67.05511	27.0
69.03432	15.2
69.07077	19.0
71.04999	27.6
79.05500	25.7
80.08411	2.4
81.03383	3.0
81.07063	100.0
81.37550	2.8
83.04970	9.0
83.08617	9.8
84.08154	3.5
85.02902	3.2
85.06523	7.4
91.05487	20.4
93.07047	63.3
95.04976	12.6
95.08617	30.0
97.02872	3.2
97.06532	11.9
97.10165	4.4
98.97604	18.0
99.08107	37.5
103.05456	3.2
105.07036	30.5
107.08601	32.6
109.06522	23.0
109.10167	34.3
111.04414	3.2
111.08070	10.0
116.98622	2.8
117.07016	8.9
119.08592	21.4
121.06491	6.4
121.10151	22.1
123.08049	6.5
123.11709	20.3
125.09611	12.4
127.07569	19.8
127.11205	19.5
129.07065	3.2
131.08618	13.3
133.06479	2.9
133.10141	51.0
135.08075	13.2
135.11697	23.4
137.09604	9.0
139.07555	2.9
139.11183	4.2
143.10690	5.8
145.10120	23.5
147.11679	15.2
148.44501	2.4
149.09668	12.9
149.13232	8.4
151.11200	39.4
153.08981	2.4
154.03865	5.3
155.10689	5.8
158.99664	9.6
159.11688	20.7
160.08824	3.5
161.09613	3.5
161.13264	16.0
163.07571	4.0
163.11168	9.0
165.07010	3.2
169.12245	6.0
173.13269	8.9
175.14790	3.2
177.00681	4.7
177.12706	6.6
177.16316	2.7
179.10701	2.4
181.08563	2.8
185.19745	2.6
189.16292	3.6
191.10648	7.6
191.17976	5.0
201.16408	17.0
208.99722	3.6
219.10011	7.7
219.13837	6.5
219.17458	55.9
237.11108	5.6
237.14777	16.2
237.18546	41.0
237.22116	5.9
238.16000	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	237.1851
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03902	0.4
55.01825	0.5
55.05442	1.6
57.07008	1.2
62.33957	0.3
66.68137	0.3
67.05426	1.9
69.03352	3.4
69.06990	3.9
70.54945	1.0
71.04944	0.5
79.05495	1.9
81.07059	7.2
83.04924	0.7
83.08540	2.5
85.06470	0.6
91.05487	1.7
93.07047	6.8
95.04911	0.6
95.08611	3.9
97.06536	4.8
97.10120	0.4
99.07977	0.4
99.31372	0.3
105.03297	0.3
105.07027	3.2
106.04090	0.3
107.04887	0.8
107.08593	6.1
109.06528	1.5
109.10156	3.7
111.08088	13.0
117.07028	1.6
119.08585	3.9
120.45483	0.3
121.06500	4.9
121.10146	6.0
123.08025	1.4
123.11710	11.8
125.09524	0.5
131.08572	1.6
133.10158	2.0
135.08054	9.4
135.11693	6.0
137.09540	1.1
143.08540	0.4
145.10129	4.8
147.08012	0.3
147.11562	0.5
148.73250	0.3
149.09627	21.6
149.13281	1.8
151.11124	0.5
157.10065	0.4
159.10645	0.3
159.11702	2.8
161.09677	1.6
161.12050	0.5
161.13271	7.3
163.11186	33.3
171.11760	0.3
173.13228	0.9
175.14786	0.9
176.12009	1.8
177.12788	2.3
177.16412	2.5
189.12767	2.8
191.10678	0.5
191.17906	1.0
201.16388	2.8
204.15073	2.4
219.17445	100.0
220.17867	0.5
237.11415	0.3
237.14705	0.8
237.18518	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	237.1851
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03952	0.5
55.01880	0.8
55.05508	3.1
56.96576	2.3
57.03418	1.3
57.07074	1.1
67.05509	5.5
69.03407	1.3
69.07070	4.0
71.04973	1.6
71.08620	0.4
71.52208	0.6
79.05500	3.9
81.03403	0.5
81.07055	7.9
83.04981	3.8
83.08593	1.5
85.02906	0.9
85.06531	1.6
87.04437	0.9
91.05483	2.9
93.07052	6.5
95.04985	2.2
95.08619	6.5
97.06538	7.9
97.10137	1.0
98.44376	0.5
99.08070	0.8
105.07036	5.6
107.04951	0.8
107.08589	8.4
109.06531	2.1
109.10155	6.1
111.04451	0.6
111.08085	15.9
114.43605	0.4
117.06995	1.5
119.08605	3.5
121.06509	2.5
121.10149	5.4
123.08068	2.3
123.11690	2.7
125.05985	1.5
125.09636	1.3
127.07545	1.3
131.05006	0.4
131.08543	2.0
133.10155	3.2
135.04413	0.6
135.08060	7.0
135.11679	4.2
137.05977	0.6
137.09625	1.9
139.07602	0.9
143.08540	0.6
144.98172	0.5
145.10143	3.9
146.06006	0.7
147.08018	0.6
147.11702	5.8
148.05215	0.5
149.09648	2.4
149.13292	1.3
151.07535	1.7
151.11183	0.8
153.09093	0.7
157.10114	0.7
159.08067	0.6
159.11713	4.6
160.08859	1.3
161.09633	1.7
161.13260	1.5
162.10506	0.5
163.07491	0.8
163.11188	8.9
163.14818	0.7
164.11923	0.8
173.13211	1.4
175.11110	0.5
175.14804	0.4
176.11990	1.0
177.05437	0.5
177.09076	0.6
177.12762	2.7
179.10655	1.0
179.14336	0.4
189.12755	11.0
190.98700	1.0
191.10703	2.9
191.14366	1.3
191.17947	1.5
195.11603	0.7
195.13820	0.5
199.98756	0.4
201.12767	1.8
201.16362	2.7
204.15117	14.9
207.11664	0.9
208.99693	0.6
215.07043	0.7
219.10339	2.5
219.13881	3.0
219.17448	100.0
220.17729	1.0
222.14000	0.5
237.07208	0.6
237.11147	2.6
237.14749	4.6
237.18556	11.1
237.22148	1.3
241.63127	0.5
259.09573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.17784	1.3
53.03949	3.2
53.64838	1.3
55.01874	4.3
55.05513	13.7
56.96566	6.3
57.03429	5.5
57.07073	4.8
59.05004	7.1
67.05514	21.2
69.03438	10.7
69.07067	13.1
69.26816	3.0
69.27242	8.9
71.04997	27.9
79.05498	24.0
81.03421	2.2
81.07059	100.0
83.04977	8.7
83.08606	4.4
85.02917	1.7
85.06548	5.4
87.04465	3.0
91.05488	15.0
93.07054	31.5
95.04961	5.4
95.08611	24.4
97.02866	1.5
97.06533	11.8
97.10180	4.5
98.85095	1.1
98.97603	12.8
99.04432	1.9
99.08099	38.8
100.99142	1.6
103.05450	1.3
105.07036	29.9
106.36460	1.3
107.04946	2.1
107.08607	34.0
109.06532	18.9
109.10168	28.8
111.04437	1.4
111.08092	3.8
113.09695	1.6
116.98660	1.8
117.07024	4.4
118.04211	1.3
119.08590	19.2
121.06497	3.1
121.08810	1.2
121.10157	21.6
123.08080	5.9
123.11707	17.1
125.06017	1.7
125.09645	10.2
127.07568	18.3
127.11201	20.9
131.08586	8.1
133.10147	41.6
135.08076	4.3
135.11693	11.8
137.09618	3.1
139.11206	4.6
141.07036	1.3
143.08627	2.0
143.10681	4.7
144.98167	1.8
145.06493	1.8
145.10120	17.6
147.11678	10.5
149.09625	4.3
149.13258	7.8
151.07567	2.0
151.11188	35.0
155.10651	7.6
158.99701	4.7
159.11705	13.7
160.08755	1.5
161.09660	2.9
161.13248	10.4
163.03960	2.3
163.11169	9.1
165.12808	2.0
169.12267	3.3
173.09718	1.5
173.13210	6.0
175.14824	4.2
176.08379	1.2
177.00780	2.1
177.09164	1.8
177.12718	3.0
177.16518	2.9
179.10657	1.4
179.14450	1.6
190.98590	1.9
191.10692	4.2
191.14331	3.5
191.17953	4.1
193.08202	2.0
194.06984	8.2
201.12715	3.7
201.16394	11.6
203.07558	5.2
208.99614	1.3
219.10077	5.7
219.13937	7.6
219.17473	22.5
237.11186	3.4
237.14793	13.9
237.18524	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	237.185
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	1.7
55.05256	0.7
55.05512	4.1
56.96562	1.9
57.03426	0.8
57.07061	2.5
58.47135	0.6
67.05516	5.7
69.03434	3.6
69.07072	7.4
71.04993	1.2
71.52158	1.1
79.05500	5.5
79.14074	0.6
81.03419	1.1
81.07059	12.9
82.95443	0.7
83.04970	2.8
83.08636	3.9
83.42728	0.7
84.08157	0.9
85.06535	2.3
91.05489	4.6
93.07047	11.7
95.04963	2.1
95.08611	8.7
97.06547	8.2
97.10178	1.6
99.08080	0.7
99.33363	0.7
103.05451	1.1
105.07011	7.5
107.04947	1.7
107.08594	12.3
109.06507	2.4
109.10152	7.5
111.04436	0.7
111.08092	13.0
113.06033	0.6
113.35726	0.7
117.07061	3.4
119.08580	7.0
121.06499	5.8
121.10134	11.1
123.08048	2.6
123.11702	11.2
125.05995	2.0
125.09666	1.7
127.11257	0.8
129.07027	0.7
131.08630	3.3
133.06473	0.7
133.10146	4.2
135.08066	10.0
135.11678	8.0
137.09612	2.2
139.07491	1.6
145.10136	6.3
146.05963	1.1
147.08034	1.0
147.11659	2.0
149.05943	0.7
149.09627	22.3
149.13248	2.3
151.07481	2.2
151.11214	1.4
157.10095	0.7
159.08043	1.1
159.11673	5.9
160.08794	3.1
161.09621	2.8
161.13264	9.3
163.11186	32.4
173.13283	1.6
175.14771	1.2
176.11948	2.0
177.09119	1.0
177.12755	2.8
177.16356	2.9
181.08580	1.0
189.12746	2.4
189.16402	1.0
191.10629	4.5
191.14336	2.2
191.17958	0.8
195.11649	0.9
201.12730	0.9
201.16393	5.3
204.07806	0.9
204.15048	2.1
219.10310	3.8
219.13896	3.4
219.17442	100.0
220.17792	0.8
237.09065	2.0
237.11055	3.8
237.14781	5.8
237.18517	20.9
237.22144	2.1
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	Deodarone
Peak:m/z	Relative Intensity
52.85122	1.1
53.03953	1.6
54.54414	1.0
54.62707	0.9
55.01852	2.8
55.05514	9.9
56.96556	4.7
57.03430	1.0
57.07063	3.3
65.03941	1.0
67.01855	2.2
67.05182	1.8
67.05507	23.2
69.03416	4.5
69.07072	11.5
71.04986	5.2
71.52113	1.0
79.05492	15.5
81.03394	2.1
81.07058	43.3
83.04991	8.0
83.08633	6.6
85.02906	95.0
85.06544	5.2
91.05476	12.8
91.70406	1.0
93.06488	1.3
93.07047	18.8
94.58785	1.1
95.04955	6.8
95.08612	44.6
97.02911	4.7
97.06540	10.6
97.10162	4.2
98.32330	1.0
99.04469	1.2
99.08100	2.2
100.99126	1.7
103.05451	1.8
105.03378	2.1
105.07027	10.9
107.04955	2.7
107.08582	14.8
108.84589	1.1
108.96756	1.2
109.06513	5.3
109.10155	13.5
111.04420	1.9
111.08073	6.6
111.11723	1.1
113.05989	6.1
113.08302	0.9
113.09653	1.6
117.07020	2.9
119.08560	15.8
120.08106	1.3
121.06493	3.4
121.10148	9.0
123.08072	6.3
123.11703	5.8
125.05997	1.6
125.09632	2.6
127.07533	1.8
131.04961	1.2
131.08560	5.7
133.10124	9.8
135.08063	4.6
135.11708	10.4
137.05943	1.4
137.09631	3.3
137.13260	4.4
139.11182	2.0
141.09079	1.2
143.08560	1.2
144.58794	1.2
145.06459	1.7
145.10176	6.1
146.06111	2.3
146.07213	1.4
147.11723	2.2
149.09641	2.2
149.13257	6.6
151.07536	4.1
151.11247	1.3
151.14812	1.7
157.10176	1.2
159.07962	1.2
159.11725	7.2
160.08841	3.7
161.09679	1.6
161.13254	14.8
163.03957	2.1
163.07553	1.7
163.11208	2.6
163.14877	1.8
167.08548	1.6
173.13248	2.4
175.14784	1.5
177.09114	3.1
177.12700	3.2
177.16437	2.1
179.14294	3.9
181.10144	1.3
189.09099	1.0
190.98621	1.3
191.10660	5.2
191.14297	2.2
192.06560	1.5
192.98274	1.0
195.11703	2.8
195.13815	1.0
195.17447	3.1
201.12633	1.0
201.16397	4.4
208.99750	1.8
219.10197	5.8
219.13785	4.5
219.17445	7.0
219.21049	1.4
226.66347	1.1
237.05527	1.3
237.07486	2.0
237.11179	3.4
237.14725	11.7
237.16812	4.2
237.18501	100.0
237.21875	5.6
259.09625	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	237.0871
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.02274	0.3
53.94786	0.3
55.05507	0.4
56.96539	0.4
67.05507	0.6
69.07048	0.4
69.54969	2.0
69.55379	0.6
70.06574	0.5
72.08149	1.4
74.02056	0.4
74.02447	6.2
74.03055	0.4
81.07053	0.5
84.08142	1.8
85.06544	0.5
86.09682	0.5
88.03951	0.5
91.05473	1.7
93.07038	0.6
93.44296	0.4
94.06579	9.8
98.20766	0.7
99.00823	2.0
103.05453	0.4
103.30756	0.4
104.04985	2.1
105.07115	0.4
110.06067	0.4
110.07898	0.6
110.58072	0.5
116.58037	0.5
118.06551	10.0
120.04476	3.5
120.08096	3.3
121.06579	0.5
125.05963	0.4
128.04964	2.8
130.06537	1.4
131.08441	0.4
132.04457	3.4
134.06018	0.6
136.06532	0.8
136.07591	16.5
145.06532	0.4
146.06021	100.0
147.06371	0.6
148.03918	4.7
149.04941	0.7
150.05522	4.6
151.07635	0.4
156.04460	1.0
157.07680	0.8
158.06058	2.1
163.03999	0.5
163.08626	0.7
164.07111	2.4
166.08672	2.3
173.07150	0.7
174.05519	16.5
175.08746	0.8
191.08192	4.2
191.10626	1.1
192.06577	12.1
193.32587	0.4
202.05008	7.1
203.08170	0.8
214.02194	0.3
214.10828	0.4
219.07669	1.3
220.06065	6.2
220.40582	0.4
233.96735	0.4
237.08768	8.2
237.14911	0.9
237.22153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03952	3.3
55.01871	8.0
55.05524	13.4
56.96565	4.0
57.03435	3.2
57.07066	3.2
59.04992	1.4
63.01411	1.3
65.03934	2.5
67.05512	22.1
67.49590	1.4
69.03413	2.9
69.07072	16.0
69.28502	11.3
71.04998	11.1
76.43028	1.6
79.05497	34.8
81.03435	2.7
81.07062	100.0
83.04994	9.4
83.08627	7.8
85.02925	8.4
85.06544	6.2
87.04485	2.0
91.05484	23.0
93.07048	25.5
95.04985	13.9
95.08617	24.2
97.06536	10.4
99.04449	1.5
99.08100	2.1
105.03397	1.5
105.07040	19.3
107.04951	16.5
107.08593	27.3
109.06522	43.4
109.10165	11.5
111.04491	1.8
111.08095	7.6
113.06007	5.7
115.03928	1.8
115.05430	2.2
117.07013	16.2
118.06496	1.4
119.08582	18.1
121.06524	11.3
121.10143	10.3
123.04413	2.3
123.08070	10.0
123.11713	5.4
125.05990	4.6
125.09657	2.1
127.07573	4.5
129.07005	4.2
131.04947	3.0
131.08565	18.3
133.06494	2.5
133.10139	7.5
135.04419	4.3
135.08073	17.2
135.11731	6.5
137.05998	13.9
137.09619	8.7
137.13300	1.8
139.07567	2.5
143.08543	2.1
145.06465	2.0
145.10155	13.3
146.06042	2.3
147.08052	3.7
147.11697	4.7
149.02353	4.0
149.06012	1.8
149.09628	9.7
149.13287	5.8
151.07594	7.0
151.11224	1.8
153.05502	1.6
153.09142	4.7
155.08589	2.7
157.10161	4.8
159.08086	4.5
159.11717	14.9
160.08827	6.0
161.06047	1.7
161.09636	2.8
161.13219	3.7
163.07539	4.6
163.11194	5.4
163.14832	3.3
167.07077	5.1
167.08466	1.3
168.09340	2.4
173.09691	1.6
173.13268	14.1
174.06764	2.0
175.11220	2.7
176.08449	1.9
177.09129	6.1
177.12741	8.9
179.10628	2.2
179.14424	1.5
179.46413	1.3
181.08562	1.7
183.11702	4.6
191.08867	1.7
191.10664	9.6
191.14316	18.1
191.17957	1.7
193.03270	3.2
193.05014	4.0
195.13937	1.4
201.12790	14.2
201.16409	2.1
207.11771	2.0
219.10344	8.6
219.13792	32.1
219.17471	5.1
237.05519	2.8
237.07593	4.7
237.11063	7.6
237.14775	40.2
237.18462	12.5
237.22226	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	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77717	0.3
55.05522	0.9
57.03440	2.3
60.46285	0.3
61.23299	0.3
70.79692	0.8
72.78660	0.3
79.05486	1.0
81.07057	4.5
93.54404	0.3
94.04061	1.1
94.95601	0.3
106.29389	0.2
109.05121	0.3
119.03535	2.5
136.06190	100.0
137.04605	0.9
143.72415	0.3
148.06203	0.5
168.98106	0.3
190.10881	2.5
190.51147	0.3
195.82693	0.3
216.12547	0.4
234.13504	80.3
235.13939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03960	2.4
55.01846	2.5
55.05510	10.0
57.07069	7.1
59.05001	3.4
61.30413	1.6
67.05515	8.8
69.03432	3.4
69.07069	12.6
70.57248	5.8
71.04982	6.1
79.05505	11.2
81.07065	16.8
83.04996	2.5
83.08627	5.0
85.06536	3.2
91.05482	15.2
93.07050	17.7
94.94192	2.0
95.04974	6.9
95.08598	20.1
97.06531	5.0
98.21547	2.2
103.05474	2.7
105.06396	2.8
105.07040	31.3
107.08612	35.4
109.06551	8.5
109.10164	15.7
111.08085	4.0
115.05519	2.5
117.07019	6.0
119.08592	100.0
121.06490	2.1
121.10159	13.4
123.08071	5.3
123.11707	5.6
129.06975	3.0
131.08597	14.2
133.06544	4.2
133.10144	51.0
135.08075	15.1
135.11720	9.8
137.09595	5.3
142.07808	4.7
143.08551	10.0
145.10129	15.1
146.07297	3.7
147.08047	6.6
147.11694	18.0
149.09622	4.5
151.11200	9.7
156.09395	3.5
157.10138	16.9
158.10950	5.1
159.11694	14.3
160.08795	2.2
161.09630	68.1
161.13254	4.8
169.10081	2.0
170.10805	3.3
171.11671	7.9
173.13283	19.7
175.11201	13.9
175.14845	14.8
177.12744	6.8
179.10707	13.7
187.11238	2.3
187.14822	4.6
189.12766	2.8
189.16396	19.1
190.75314	2.1
193.15941	2.3
199.14835	12.2
202.13602	2.1
217.15892	99.6
235.09531	2.4
235.16943	76.9
235.20547	3.0
244.00960	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03949	1.0
55.05515	11.3
57.07073	2.4
59.05012	0.4
65.03944	0.4
67.05511	4.8
69.03439	1.2
69.07064	2.0
69.36573	3.7
71.04989	1.5
71.30730	0.4
79.05501	4.3
81.07063	11.3
83.04987	100.0
83.08652	0.5
85.02911	1.0
85.06556	1.0
91.05467	3.0
93.07050	12.7
95.04981	0.8
95.08614	10.6
97.06552	2.6
98.97583	0.6
99.04472	1.9
105.07039	4.3
107.05000	0.7
107.08603	9.0
109.06522	1.0
109.10155	3.4
111.08075	1.8
117.07007	1.1
119.08581	4.5
121.06554	0.7
121.10149	13.8
123.04408	0.7
123.08063	1.2
123.11716	8.5
125.09644	1.1
129.07016	0.6
131.08621	0.8
133.10097	2.9
135.08075	0.6
135.11691	6.0
137.09642	2.6
137.13277	0.5
143.08595	0.8
145.06537	0.5
145.39421	0.4
147.11734	2.2
149.02312	0.6
149.09630	1.8
149.13289	1.1
151.11168	3.9
153.09140	1.6
157.10118	1.1
159.11716	0.9
160.05286	0.5
161.09633	0.8
161.13246	2.3
163.07513	0.8
173.06062	0.6
175.07602	1.4
175.11244	0.7
178.07735	0.4
179.10670	4.1
187.07483	0.7
189.09172	0.6
189.12852	0.5
189.16460	0.6
191.07086	0.6
197.11751	3.0
199.14822	0.6
217.08694	0.5
217.12399	0.6
217.15938	2.2
217.19527	2.6
233.08022	0.5
235.09682	1.4
235.13396	1.1
235.16942	15.8
235.20480	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	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77969	0.3
51.56658	0.3
52.76699	0.3
55.05512	1.4
57.03439	2.5
59.34732	0.3
71.38824	0.4
79.05502	1.1
79.91539	0.3
81.07059	4.4
94.04054	0.7
98.97603	0.6
99.08118	0.5
104.79699	0.3
110.38202	0.3
119.03556	2.8
120.08154	0.3
123.58110	0.3
136.06194	100.0
137.04593	1.2
148.06226	0.6
164.01683	0.7
190.10867	2.5
209.55429	0.3
213.07809	0.3
216.12553	0.4
234.13503	80.7
235.13568	0.4
243.82903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.03928	2.2
53.70060	0.6
55.01876	1.7
55.05512	9.4
56.36798	0.6
57.03419	2.4
57.07084	5.6
59.04950	0.7
65.03906	0.7
65.81986	0.6
67.05506	31.2
69.06725	1.1
69.07064	10.1
69.79391	3.4
71.04994	5.2
71.08617	1.3
72.40649	0.7
79.05496	45.3
81.07058	33.6
83.04986	1.2
83.08612	5.3
85.06544	7.4
91.05484	24.3
93.07047	55.9
95.04954	4.2
95.08612	22.8
97.06544	6.6
97.10174	1.7
99.08109	5.7
103.05458	0.9
105.04494	0.9
105.07034	20.5
107.04941	3.8
107.08598	37.5
108.98270	0.8
109.06503	3.0
109.10159	8.8
111.08084	7.1
113.09639	1.2
115.05415	0.9
116.06229	0.7
117.07018	10.0
118.26857	0.7
119.06079	1.0
119.08582	17.3
121.06484	1.3
121.10151	33.6
123.08079	3.2
123.11719	6.3
125.09627	2.3
129.06952	1.9
130.07805	0.7
131.08577	25.5
133.10139	20.3
135.08051	2.4
135.11694	47.8
137.09624	3.6
137.13245	2.3
139.11198	2.0
144.09299	0.8
145.10133	24.8
147.11685	13.0
149.09650	4.8
149.13263	26.9
151.03264	3.5
151.11177	2.8
157.10158	1.2
159.11696	16.6
161.13243	4.9
163.11197	2.6
163.14807	0.9
171.11694	0.8
173.09621	0.7
173.13269	18.0
175.14830	2.1
177.05521	4.0
177.09174	1.1
177.12688	1.2
178.06232	2.6
186.13983	0.9
187.07556	0.9
187.11136	0.9
187.14850	7.2
189.16382	3.8
191.14322	3.6
205.19547	2.8
215.06987	1.1
215.14572	1.7
215.17955	64.4
216.18373	1.2
233.08054	2.5
233.11479	4.2
233.15584	10.1
233.19006	100.0
234.19385	1.1
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
53.03949	1.4
55.01875	1.1
55.05512	10.3
57.03440	2.5
57.07077	6.1
65.03936	0.8
66.35257	0.5
67.05508	29.6
69.07070	7.9
69.95432	2.1
71.04989	4.1
71.08626	1.2
77.03920	0.9
79.05497	49.5
81.07059	31.9
81.07465	0.5
83.04975	2.0
83.08619	5.8
85.06544	8.3
85.31829	0.7
91.05481	24.8
93.07049	59.6
95.04974	3.0
95.08613	22.8
97.06527	5.6
97.10172	1.6
99.08102	4.6
105.04517	1.1
105.07035	18.3
107.04980	0.7
107.08600	37.7
109.06503	3.1
109.10162	9.6
111.08085	5.4
113.09641	1.0
115.05463	0.7
117.07016	8.9
119.08589	16.4
121.06487	1.1
121.10148	36.0
123.08067	2.8
123.11723	6.4
125.09615	1.9
129.07001	1.1
130.07806	0.8
131.08575	21.6
133.09125	0.8
133.10146	20.7
135.08070	2.4
135.11697	43.6
137.09625	3.6
137.13242	1.9
139.11188	1.6
144.09338	0.8
145.10127	21.9
147.11694	12.7
149.09637	4.8
149.13264	23.9
151.11177	3.5
159.11693	17.7
159.13013	0.7
160.02185	0.5
161.13257	4.7
163.11224	1.6
163.14862	0.6
165.12805	1.0
173.13271	14.6
175.14833	2.0
177.12743	1.7
187.14859	5.4
189.16383	3.9
191.14198	0.6
196.37181	0.5
205.15854	0.6
205.19592	3.2
215.17969	61.9
233.15250	2.5
233.19011	100.0
234.19380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95583	0.6
53.03945	1.9
55.01865	1.1
55.05510	10.9
57.03432	1.5
57.07077	6.6
65.03937	1.0
67.05511	29.5
69.03429	1.2
69.07072	9.7
70.57576	2.0
71.04997	5.0
71.08631	0.9
77.03941	0.9
79.05495	45.3
81.07061	32.4
82.35136	0.8
83.04976	2.0
83.08621	7.0
85.06546	8.3
91.05485	22.7
93.07047	54.5
95.04966	4.2
95.08609	22.5
97.06523	5.8
97.10145	1.2
99.08100	4.1
105.04510	0.8
105.07034	17.3
107.04961	1.5
107.08601	34.0
109.06525	2.0
109.10145	9.3
111.08088	6.6
113.09650	1.6
117.07029	9.1
118.60979	0.7
119.08579	18.2
121.06483	1.2
121.10148	34.9
123.08062	3.1
123.11692	6.2
125.09672	1.7
129.06973	1.1
131.08577	22.3
133.10135	20.9
135.08066	3.1
135.11694	47.8
137.09647	3.2
137.13257	2.3
139.11169	1.7
144.09418	0.9
145.10129	22.7
147.11694	13.3
149.09631	5.9
149.13264	26.7
151.11151	3.3
159.11696	15.9
161.13274	4.3
163.11177	1.9
163.14743	1.1
165.12776	0.7
173.13275	15.2
175.11137	0.8
175.14816	2.4
177.05511	0.9
177.12828	0.7
178.06274	0.8
187.14815	6.7
189.12701	0.8
189.16409	4.6
191.14323	1.4
205.19547	3.1
207.66556	0.6
215.17963	68.2
233.08092	0.9
233.15646	8.1
233.19009	100.0
234.19186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03931	2.4
55.01884	1.3
55.05273	0.8
55.05513	9.8
56.96550	1.4
57.03416	2.1
57.07080	6.5
65.03931	0.7
67.05510	30.0
69.03411	2.3
69.07066	8.8
69.28310	0.7
70.02727	2.2
71.04991	6.6
71.08627	0.9
74.73737	0.6
79.05498	60.8
81.07063	31.5
83.04957	2.2
83.08219	0.7
83.08625	8.0
85.06554	6.7
90.33601	0.7
91.05483	26.2
92.20823	0.6
93.07049	57.0
94.54739	0.6
95.04974	5.7
95.08611	23.0
97.06533	6.5
97.10140	0.9
99.08108	4.9
105.04485	1.6
105.07036	21.0
107.04304	1.1
107.04967	14.1
107.08599	36.5
107.81821	0.7
109.06505	2.7
109.10172	10.5
111.08089	7.0
113.09625	1.7
115.05421	0.9
117.07018	10.4
119.08591	20.5
121.06502	1.9
121.10153	35.0
123.08057	2.6
123.11713	6.2
125.09616	2.8
125.83938	0.7
128.06210	0.7
129.07018	2.1
130.07730	1.1
131.08574	25.5
133.06500	0.9
133.10138	21.8
135.08095	3.2
135.11699	44.4
137.09579	4.0
137.13228	2.1
139.11203	1.8
145.10133	21.4
147.08058	1.5
147.11700	14.9
149.09615	7.0
149.13263	25.0
151.07716	0.7
151.11154	3.5
157.10127	2.7
158.10815	0.6
159.08018	1.4
159.11703	18.1
161.13261	3.9
163.11172	2.6
165.12733	1.0
171.11687	1.2
173.09433	0.8
173.13283	19.5
174.06999	0.8
175.11246	3.9
175.14793	2.9
177.12726	1.2
187.11247	0.8
187.14818	7.8
189.12761	1.1
189.16394	3.8
191.03548	0.7
191.14325	15.3
197.13225	1.1
200.12093	0.7
203.08569	0.6
205.15785	0.7
205.19507	2.6
212.10559	1.0
215.14420	2.3
215.17964	65.5
218.10809	1.9
223.23228	0.7
233.07983	1.5
233.13362	3.0
233.15437	43.7
233.19002	100.0
234.19313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
51.02393	0.4
53.03957	1.4
55.05511	2.7
56.96566	0.3
57.07084	0.6
59.05000	0.2
62.83688	0.2
67.05502	1.3
69.03432	3.8
69.07063	1.1
69.84648	1.4
71.04983	0.5
76.37593	0.2
77.03974	0.4
79.05497	36.9
81.03408	0.5
81.07058	3.0
81.93085	0.2
83.04990	1.0
83.08623	3.8
85.02909	0.3
85.06535	0.5
91.05482	2.5
93.07043	3.9
95.04981	2.5
95.08601	1.7
97.06525	0.6
99.08102	0.4
102.78436	0.3
105.04527	0.6
105.06390	0.5
105.07036	5.1
107.04960	43.1
107.08591	6.3
109.06554	0.5
109.10156	0.6
111.04445	0.6
111.08086	3.6
115.05497	0.3
117.07000	1.1
119.08591	4.6
121.06516	1.2
121.10146	4.6
123.08082	0.9
123.11704	0.7
125.09637	2.5
129.07001	0.6
131.08574	3.9
133.06516	0.3
133.10141	5.1
135.08072	1.2
135.11694	1.1
136.06200	0.3
137.09659	0.4
142.07808	0.8
143.08569	0.7
145.06488	0.6
145.10152	2.6
147.11691	6.8
149.09619	6.6
149.13272	2.5
150.10475	0.3
153.09117	0.3
156.09270	0.3
157.10139	2.3
158.10921	1.3
159.08054	0.6
159.11682	0.9
160.08890	1.1
161.05965	0.3
161.13268	0.4
163.07507	0.4
163.11197	0.5
163.14861	0.4
167.08536	0.3
173.09627	0.8
173.13289	3.7
174.05453	0.3
175.11200	7.4
177.09113	0.4
182.10913	0.8
187.07570	0.6
187.11162	0.3
187.14789	0.7
189.12749	0.4
191.03419	0.4
191.14314	52.6
192.14740	0.4
197.13261	1.1
205.15863	0.3
215.14339	1.5
215.17918	0.7
233.15370	100.0
234.15753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
53.03948	0.9
55.01854	1.5
55.05507	2.4
57.07077	1.1
59.04996	0.7
59.16288	0.6
65.03939	0.6
67.05513	5.2
69.03439	3.5
69.07063	2.4
69.79129	1.8
69.79534	0.9
70.17990	0.5
71.04976	1.5
76.87718	0.5
79.05489	5.2
81.07063	6.8
83.04972	1.4
83.08617	1.4
85.06540	2.7
91.05484	6.6
93.07046	6.7
95.04966	4.9
95.08619	7.6
97.06526	2.1
97.10154	0.8
98.21494	1.0
99.08041	0.8
103.05490	1.3
105.07039	7.4
107.04941	2.6
107.08588	5.5
108.20964	0.6
109.06517	2.6
109.10149	2.0
111.08038	0.5
115.05465	2.1
117.07043	2.9
119.04945	0.7
119.08583	10.5
121.06511	7.3
121.10158	4.0
123.04465	0.8
123.08092	2.6
128.06204	1.1
128.69946	0.6
129.06999	1.6
130.07782	0.8
130.22202	0.5
131.04971	1.1
131.08578	12.1
133.06529	1.2
133.10126	5.6
135.08035	2.5
135.11696	1.5
137.09621	0.7
137.13196	0.7
141.06973	2.1
142.07805	1.1
143.08549	2.4
144.09369	1.1
145.06540	1.4
145.10121	11.6
147.08046	1.0
147.11690	2.9
149.02376	1.3
149.09616	7.1
149.13243	0.9
155.08551	1.4
156.09378	1.2
157.10118	4.4
158.10948	0.9
159.04434	1.2
159.08073	9.3
159.11703	4.4
160.08765	0.7
161.13284	3.8
163.11169	1.8
167.03413	1.0
167.08549	1.9
169.06563	0.8
169.10138	2.0
171.11681	2.1
172.05156	0.8
172.12477	0.7
173.05995	0.7
173.09651	5.1
173.13272	6.2
174.10460	0.6
175.11198	1.7
177.05441	0.6
177.09105	1.8
179.14336	2.4
182.10934	4.9
185.09683	1.4
186.10463	0.6
187.07497	0.6
187.11186	1.9
187.14821	6.0
189.12793	2.7
191.03329	4.3
191.14311	2.6
197.05954	1.3
197.13297	9.0
197.15179	0.7
200.11935	2.1
205.04936	1.1
205.16179	0.8
215.07104	3.5
215.14326	24.9
215.17746	1.3
233.08043	4.7
233.15373	100.0
234.15703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1749
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
55.05514	22.1
57.03444	5.1
64.98228	2.3
67.05505	36.0
69.03432	2.9
69.07068	22.7
71.04994	9.8
71.29060	5.3
79.05500	20.7
81.07059	87.3
83.04980	7.4
83.08617	20.7
85.06548	21.1
91.05486	23.0
91.65556	2.6
93.07055	26.5
95.04948	3.6
95.08610	100.0
97.06531	27.4
97.10168	9.3
99.08105	9.4
101.06012	5.9
103.05465	3.7
105.07040	31.1
107.08605	15.9
109.06514	4.4
109.10137	12.5
111.08095	6.9
115.07598	2.8
117.07001	4.9
119.08586	43.9
121.10118	13.2
123.08076	7.6
129.07039	3.6
131.08525	7.2
133.10130	32.5
135.11697	21.2
137.09608	5.3
137.13272	22.1
145.10147	7.7
147.11703	3.1
149.09753	2.8
158.07448	2.5
159.04425	3.8
159.08092	4.9
161.13258	91.1
163.11237	3.7
172.05215	3.6
179.14302	76.1
187.11192	3.5
187.14833	2.6
191.03450	8.6
197.06017	2.8
197.15347	40.7
199.05240	2.2
215.07054	10.4
215.14365	3.4
215.16345	5.3
233.08087	8.9
233.11597	5.3
233.15378	11.0
233.19048	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	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03949	1.8
55.05511	7.9
57.07077	1.7
63.47322	0.9
67.05509	21.6
69.06799	0.9
69.07073	9.7
69.08299	1.0
69.82000	1.6
69.82410	3.7
77.03900	1.0
79.05505	19.3
81.06596	2.4
81.07063	42.1
82.82903	1.0
83.08620	3.9
85.06555	1.4
91.05489	19.8
93.06492	1.5
93.07054	26.0
94.64762	1.0
95.04989	2.3
95.08615	37.8
97.06531	2.3
97.10177	1.6
103.05421	1.7
105.07040	40.4
107.04968	6.6
107.08599	19.4
109.06500	2.1
109.10169	11.7
111.08112	2.5
115.05483	1.6
116.06259	1.3
117.07047	8.5
119.08591	20.2
121.06503	3.4
121.10157	12.3
123.08086	1.9
123.11710	3.8
125.05980	2.1
125.09649	1.3
128.06248	2.0
129.07004	3.8
130.07800	1.4
131.08575	39.0
133.06529	2.0
133.10155	12.9
135.04405	1.9
135.08043	4.3
135.11674	7.2
136.66689	1.1
137.06026	3.5
137.09633	1.7
137.13304	2.0
139.07552	3.2
141.06987	1.4
142.07835	1.5
143.08569	4.3
144.09367	2.1
145.06479	1.9
145.10139	37.5
147.08083	1.9
147.11699	9.6
149.06009	1.9
149.09636	2.7
149.13330	3.2
151.07555	5.1
153.09125	1.2
155.08565	2.8
157.10156	3.4
159.08089	5.1
159.11699	19.1
161.13278	14.7
163.07532	4.2
163.14851	1.4
165.09004	1.2
169.10132	2.9
171.11746	1.3
172.12440	1.4
173.09633	4.7
173.13264	4.1
175.07521	1.2
175.11182	2.0
177.05476	1.9
177.09108	8.4
178.06226	2.7
182.10910	2.5
187.11240	3.8
187.14839	100.0
189.16359	2.4
191.10728	1.8
191.14389	6.8
197.13260	9.2
203.08716	1.4
205.10150	1.7
205.16000	5.3
213.48068	1.2
215.06848	1.1
215.10922	1.3
215.14352	28.7
215.17781	1.6
217.15952	1.4
218.10959	1.2
233.08096	3.1
233.11595	4.6
233.15385	74.2
233.18942	13.5
233.22684	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	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	0.7
55.05515	3.1
57.03434	0.9
57.07082	1.3
57.93769	0.6
63.70658	0.5
64.93465	0.6
67.05514	5.9
69.03443	3.7
69.07077	3.3
70.30960	1.8
71.04967	1.2
78.37468	0.6
79.05499	5.3
81.03424	0.7
81.07061	9.6
83.04974	1.8
83.08617	2.0
85.06548	2.2
86.09682	0.8
91.05478	8.9
93.07050	7.8
95.04971	4.3
95.08615	10.0
97.06530	2.3
97.67337	0.6
98.20882	0.6
103.05455	0.6
105.07034	9.2
107.04936	4.0
107.08604	7.7
109.06525	3.0
109.10156	2.2
111.08090	0.7
115.05424	0.9
116.06209	0.8
116.81268	0.6
117.07023	2.6
119.08589	12.4
121.06514	7.1
121.10168	4.3
123.04458	0.9
123.08088	1.8
128.06244	0.7
129.07036	1.8
130.07805	1.0
131.04941	1.3
131.08575	12.6
133.06506	1.5
133.10159	4.1
133.95583	0.6
135.08089	3.1
135.11705	1.5
137.09572	1.1
137.13248	0.6
141.06970	2.2
143.08562	3.1
144.05733	0.7
144.09348	0.7
145.06483	1.4
145.10129	13.5
147.08049	1.5
147.11685	2.6
149.02362	1.0
149.09622	7.9
149.13330	0.8
153.06953	0.7
155.08572	1.9
156.09305	1.3
157.10165	4.6
159.04411	1.7
159.08087	8.9
159.11681	4.7
160.08862	0.7
161.09648	0.6
161.13272	4.9
163.11186	2.1
167.03349	0.7
167.08603	1.6
169.06474	0.8
169.10158	2.4
170.07765	0.6
171.11673	3.5
172.05202	0.8
172.12451	1.5
173.09671	5.3
173.13229	6.2
175.11191	1.7
177.09148	2.3
179.14320	2.7
182.10966	4.9
187.07607	1.2
187.11208	2.1
187.14806	5.3
189.12738	2.5
191.03394	3.3
191.14311	2.7
191.98358	0.6
197.05952	1.0
197.13307	11.4
197.15297	1.9
200.12038	2.8
215.06999	4.2
215.14334	26.9
233.08037	2.9
233.15384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.21362	0.8
51.98890	0.8
53.03931	2.7
55.01865	0.8
55.05512	4.6
55.11896	0.7
55.30720	0.7
57.07072	3.4
57.23791	0.7
59.04988	2.7
60.23149	0.8
65.03911	1.2
67.05244	0.7
67.05507	8.3
69.03436	13.6
69.07059	4.2
70.27969	2.0
70.28345	1.5
71.01346	1.3
71.04996	4.9
77.03884	1.3
77.55114	0.9
79.05495	24.0
79.15717	0.9
81.07059	8.8
83.04995	2.2
83.08607	4.2
85.06542	5.4
91.05479	17.2
93.07057	11.9
93.55514	0.8
95.04375	1.5
95.04973	22.2
95.08617	6.6
97.06509	2.6
103.05480	1.4
105.07037	19.6
107.04963	22.4
107.08594	15.2
108.24068	0.8
109.06502	5.9
109.10153	6.1
111.04467	1.9
111.08084	4.3
113.06033	4.5
115.05510	1.8
116.06207	1.1
117.07005	5.4
119.08585	84.5
121.06528	4.8
121.10152	16.9
123.08051	3.6
123.11699	3.3
125.09566	2.0
128.06255	1.1
129.06993	2.4
130.07797	1.9
131.04903	1.9
131.08575	18.1
133.02823	1.2
133.06514	6.6
133.10124	14.1
135.08073	5.5
135.11652	1.6
137.09630	7.7
142.07773	2.4
143.08542	4.3
144.09332	1.1
145.06461	2.5
145.10132	27.5
147.08055	24.6
147.11668	10.5
149.09628	11.5
149.13271	3.0
151.11147	1.3
155.08531	2.3
156.09366	2.8
157.10153	8.7
158.10905	3.1
159.08087	4.3
159.11697	5.6
160.08878	1.9
161.09708	2.9
161.13274	4.2
163.11197	6.0
163.14838	2.0
167.08566	2.1
169.10120	2.4
171.11684	6.7
172.12469	1.9
173.09633	7.2
173.13252	11.2
175.11186	13.8
177.05565	0.9
177.09142	3.3
179.03329	1.4
182.10922	5.1
185.06042	1.0
187.11209	2.3
187.14819	11.1
189.12732	7.8
191.03403	19.5
191.10692	1.0
191.14316	32.1
197.13272	7.6
200.11975	1.4
205.15945	2.5
215.07133	0.9
215.14322	18.5
233.08170	8.5
233.15379	100.0
233.22960	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.13804	0.5
53.03936	2.2
55.01875	0.5
55.05511	3.0
57.07060	2.0
67.05520	2.8
69.03442	4.7
69.07049	1.9
70.25507	1.1
70.25894	1.4
71.04989	1.3
74.43010	0.5
75.29305	0.5
77.03921	0.8
79.05495	33.7
81.03421	0.5
81.07055	3.3
83.04977	2.3
83.08621	4.2
85.02905	1.1
85.06538	3.5
87.04462	0.7
87.95373	0.7
91.05486	5.2
93.07046	6.3
95.04974	4.8
95.08592	2.9
97.06525	1.4
98.21417	0.7
105.04514	1.3
105.06403	0.9
105.07036	10.2
107.04963	36.5
107.08598	8.9
109.06519	1.8
109.10162	0.9
111.04499	0.6
111.08095	3.3
113.05994	1.2
113.99874	0.5
115.05451	0.6
117.07045	4.1
118.18760	0.5
119.08592	13.9
121.06498	1.7
121.10148	4.9
123.08064	1.3
125.09612	2.0
126.42081	0.5
128.06224	0.7
129.07013	1.7
130.07764	0.9
131.08578	13.1
133.10135	9.9
135.08061	3.9
135.11647	0.7
136.06136	0.6
137.09621	5.0
142.07832	2.3
143.08546	2.0
145.06502	0.9
145.10138	13.0
145.11293	0.7
146.10899	0.9
147.08058	16.7
147.11690	15.3
149.09636	6.1
149.13245	2.2
153.09091	1.2
155.08498	0.5
156.09300	1.0
157.10143	6.9
158.10872	2.4
159.08084	0.7
159.11684	1.3
160.08823	1.1
163.11203	4.5
167.08507	0.5
169.10152	1.1
171.11693	2.5
172.12486	1.4
173.09738	1.1
173.13274	12.1
175.11198	22.3
177.09119	1.1
182.10896	1.7
187.14874	3.6
189.12756	9.2
190.13371	0.6
191.14319	48.2
197.13292	3.2
205.15892	0.7
215.06949	0.7
215.14316	7.9
232.31026	0.6
233.15376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.01862	4.0
55.05501	4.2
57.03449	7.9
57.62047	1.0
67.05503	8.8
69.03415	6.3
69.07065	5.8
69.32108	3.3
69.32515	5.3
71.04980	2.6
71.39407	1.1
73.08208	1.3
77.03896	1.3
79.05499	17.0
81.03416	6.4
81.07053	15.6
83.04954	3.8
83.08624	1.9
85.02916	6.9
85.06561	1.6
86.09699	2.6
91.05485	29.2
93.07053	17.3
95.04957	5.0
95.08619	10.4
97.02851	1.8
97.06535	17.7
98.97594	2.9
99.08054	1.1
103.05473	2.8
105.03393	11.6
105.07031	31.8
107.04961	10.1
107.08605	13.3
109.06514	7.9
109.10136	4.3
111.04420	1.6
111.08069	3.8
115.05467	6.8
116.06251	2.8
117.07014	14.6
118.59406	1.1
119.04926	2.6
119.08582	19.8
120.08096	4.5
121.06515	12.1
121.10143	4.3
123.08067	5.2
128.06218	3.6
129.06271	1.1
129.07010	10.5
131.04913	13.6
131.08565	34.2
132.05727	1.2
133.06517	5.4
133.10123	18.6
135.08063	25.5
135.11667	2.9
136.06198	3.2
137.05975	8.7
137.09627	6.0
139.07545	1.4
141.06996	15.1
142.07764	5.1
143.08565	13.8
144.05688	5.0
144.09232	1.3
145.06497	7.9
145.10126	32.9
147.04375	3.5
147.05563	3.1
147.08067	8.2
147.11655	4.7
149.09584	6.3
151.11182	1.9
153.06956	2.0
154.07811	1.8
155.08559	10.2
156.09412	2.7
157.06509	1.2
157.10147	19.2
158.03636	1.2
158.07249	1.5
159.04430	22.8
159.08058	16.5
159.11694	12.5
160.05141	4.5
161.05989	6.1
161.09576	6.2
161.13226	2.3
163.07549	4.1
163.11163	7.7
168.09264	1.8
169.06436	9.7
169.10104	5.8
171.08083	1.7
171.11664	8.3
172.05199	4.4
172.08838	3.1
173.05962	4.2
173.09615	14.3
173.13252	18.5
175.07570	1.6
175.11182	13.9
177.05475	11.8
177.09090	1.9
182.10834	3.5
185.13283	1.7
187.03864	1.6
187.07529	14.0
187.11188	9.8
187.14839	18.4
189.09067	8.3
189.12679	5.7
191.03363	2.6
191.07001	8.1
191.10689	1.4
191.14326	3.0
197.05959	10.4
197.13283	13.5
200.04704	13.2
203.14297	8.8
205.04941	1.9
205.08585	2.1
205.12292	1.5
205.15880	3.1
215.07031	39.3
215.10535	5.8
215.14302	38.3
215.17575	1.2
218.05771	1.4
233.04536	1.9
233.08064	27.6
233.11758	9.3
233.15359	100.0
234.13586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03951	0.5
55.05508	1.2
55.95031	0.5
57.07081	0.6
61.32773	0.4
67.05506	1.5
69.03430	1.8
69.07061	1.1
70.25764	1.3
71.04987	0.4
77.02384	0.4
79.05500	4.5
81.07065	2.3
81.07471	0.5
81.62092	0.4
83.08625	0.9
85.06566	0.5
89.03940	0.6
91.05487	4.6
93.07060	3.1
95.04971	1.6
95.08611	2.5
97.06524	0.5
97.10172	0.4
103.05486	1.4
105.07048	4.0
107.04959	3.9
107.08592	2.6
109.10184	0.7
111.04507	0.5
111.08112	0.7
115.05486	1.4
116.06246	1.9
117.07018	2.1
119.08579	4.5
121.06498	0.7
121.10134	2.3
123.08086	1.1
128.06221	10.2
129.07016	18.0
130.73773	0.4
131.04929	3.0
131.08571	6.1
133.02875	0.6
133.06494	0.7
133.10112	2.8
135.07991	0.7
135.11725	0.4
139.07581	0.4
141.07004	1.0
143.08606	0.8
144.05731	3.3
145.06497	2.0
145.10130	3.4
147.04448	0.5
147.08035	3.1
147.11687	1.5
149.09615	1.3
149.13261	0.5
155.04900	0.6
155.06029	1.4
156.05733	1.0
157.06512	2.6
157.07571	2.3
157.10098	0.8
159.04500	0.5
159.08064	14.7
159.11714	1.6
161.06000	0.9
163.07544	0.9
169.06502	0.6
171.04384	1.1
172.05206	8.9
173.05962	2.3
173.09642	1.1
173.13278	1.9
175.07607	0.5
175.11191	1.0
176.14406	0.6
177.05504	0.9
177.09093	0.8
177.14690	0.8
179.03406	1.2
185.05957	2.5
187.07553	51.9
187.14922	2.5
189.09096	0.5
191.03401	10.9
191.14284	3.1
197.13307	0.6
200.04698	16.1
201.05363	0.5
204.04155	0.5
205.05011	1.6
205.08585	1.4
215.07037	100.0
215.14238	2.3
216.07320	1.1
218.05701	0.6
233.08095	79.5
233.15366	13.8
233.18976	1.6
233.20822	2.0
234.08444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.99276	0.3
55.01882	0.7
55.05518	0.7
55.44038	0.3
56.05040	16.6
56.96566	8.2
57.03443	3.1
58.06595	3.7
59.05022	0.5
61.01143	0.4
61.02919	0.3
69.03439	1.0
69.07058	0.7
69.71371	2.2
70.06598	1.1
70.98130	1.1
71.01363	0.4
72.08154	3.2
73.02947	0.4
74.06084	100.0
75.04494	1.3
79.05507	0.4
81.07064	0.6
83.04967	0.4
84.04520	3.6
84.08152	2.1
84.96061	0.5
85.02901	1.7
86.09711	22.5
91.05489	0.6
91.90838	0.3
95.04998	0.5
97.02882	0.9
98.97594	2.6
99.04488	0.4
100.99141	2.0
101.07156	1.8
102.05561	0.4
103.00590	0.5
103.03947	1.5
105.07066	0.4
109.06570	0.5
110.97566	2.0
112.01048	0.6
112.07655	0.4
112.99085	0.3
115.05524	0.4
116.07134	0.4
116.98628	1.0
117.07027	0.5
118.01064	0.4
118.06276	1.0
119.00201	0.5
119.01835	0.9
120.08127	1.3
121.01665	0.6
126.12789	0.7
126.97021	0.5
128.02298	0.6
128.06233	0.5
128.98605	1.9
129.06952	0.7
131.00162	0.4
131.08607	0.4
132.10216	18.7
132.95894	0.5
134.08115	0.5
140.98825	0.3
142.12285	0.9
143.11874	0.7
144.98062	0.8
145.04985	0.9
145.06496	0.7
146.99644	1.7
147.03212	0.3
155.04614	1.8
158.11768	0.4
158.99652	1.1
162.65727	0.4
162.99150	0.4
163.01784	0.7
165.00696	1.2
169.13370	1.4
170.11807	0.4
171.12088	0.8
172.97647	0.5
173.01118	0.7
173.06096	0.4
174.06789	0.6
175.04179	0.5
177.00882	0.5
186.99127	0.6
187.02492	1.4
187.14435	11.6
189.09193	0.4
190.98622	2.4
191.02258	2.0
193.02917	0.6
201.00700	0.5
205.00211	0.5
208.99693	3.4
209.03494	0.4
215.07040	0.4
215.13919	5.4
217.10703	0.5
233.04602	0.5
233.08215	2.1
233.14967	15.1
237.02850	0.5
251.04396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	100.0
57.03466	25.0
61.02934	63.6
71.52811	30.3
76.66850	18.9
86.22706	16.7
100.99154	28.5
101.00913	59.4
103.00631	24.2
103.02483	21.7
110.97604	62.8
115.02451	25.2
119.01955	42.5
128.98628	35.1
131.01938	31.7
133.03485	73.6
143.01920	52.2
146.99632	29.4
154.96559	27.2
157.03549	17.7
160.44662	16.6
161.02946	61.8
172.97606	22.8
173.03011	26.9
181.36255	17.1
190.98631	86.3
191.04013	34.3
201.02415	17.9
208.99765	47.6
233.00647	63.4
233.05042	38.2
237.13551	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	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	100.0
69.95105	19.4
72.08134	11.4
72.96121	5.4
82.99860	6.4
84.08134	5.9
84.96016	11.1
94.93021	5.2
98.97608	11.6
100.99171	29.6
101.00881	22.1
110.97584	36.9
113.79760	6.1
116.07121	10.0
119.00174	8.4
119.01904	15.1
126.97025	9.9
128.98613	24.0
133.03471	21.2
143.01915	29.0
144.98094	22.1
146.99651	20.1
159.70372	5.7
161.02992	28.0
162.99156	10.1
165.00752	11.1
167.00233	7.0
172.97572	16.0
173.02985	16.6
190.98671	46.5
191.04028	16.5
201.02495	6.8
208.99635	49.5
233.04892	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	233.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
55.05485	2.7
56.05037	5.7
56.96570	100.0
57.03439	7.7
58.99886	2.1
61.02931	39.4
66.35232	2.1
69.03423	11.9
70.03577	10.0
70.06569	2.7
70.99858	5.2
72.08163	8.1
72.96053	2.3
73.01428	2.5
73.02908	7.6
74.06085	37.9
82.99841	2.6
84.08151	7.2
84.96033	7.3
85.01404	2.3
85.02924	16.6
86.03242	3.0
86.06113	2.4
86.09699	14.4
91.02470	2.6
94.93023	6.2
97.02898	2.3
97.93623	2.2
98.97598	17.2
100.99158	30.5
101.00887	23.4
103.00654	5.1
103.02515	3.6
109.52750	2.4
110.97579	22.7
113.00873	4.1
113.02392	9.4
115.02460	10.7
116.98655	7.9
117.01843	2.9
118.01928	2.3
119.00179	9.2
119.01929	39.5
121.01666	5.6
126.97031	6.0
127.03939	2.8
128.98619	25.2
131.01900	15.3
132.10205	5.8
133.02502	2.2
133.03476	32.5
134.99634	3.5
137.02901	5.3
137.05972	2.3
142.93071	2.2
143.01845	16.6
144.98096	13.6
145.03474	5.2
146.99660	20.2
149.02959	3.8
151.04524	8.0
152.01410	2.6
154.96640	2.3
157.03539	2.7
158.99683	3.7
161.01067	2.4
161.02960	25.7
162.99199	12.0
165.00746	18.2
168.99954	2.5
170.01570	3.1
172.29488	2.0
172.97641	10.1
173.03012	13.2
175.00887	5.6
177.02553	4.4
182.02446	9.5
183.01759	5.9
185.02960	3.2
186.99156	5.9
187.00934	10.7
187.02774	6.4
187.04419	2.8
189.00729	3.5
189.02379	4.8
190.98643	45.4
191.02409	3.3
191.04042	19.9
192.03947	3.7
193.03738	2.4
197.04865	2.2
201.00735	2.3
201.02467	7.2
205.00200	2.8
205.03732	2.4
208.99706	54.5
210.02444	2.9
210.04353	2.7
212.53448	2.4
219.01834	2.6
219.03690	3.3
227.00760	6.9
232.01225	2.2
232.99908	3.9
233.04800	15.6
233.08174	4.2
233.11459	3.2
233.15120	9.3
242.99780	2.3
248.99380	2.6
251.02530	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03947	0.5
54.64047	0.2
55.01860	0.3
55.05515	10.8
56.05029	0.4
57.05812	0.7
60.45246	0.2
69.03434	1.2
69.07088	0.3
70.06593	0.7
70.62658	0.6
71.92996	0.3
72.08159	100.0
73.08493	0.2
76.93451	0.2
81.03416	0.3
84.04527	0.5
84.08149	1.5
85.02929	0.7
86.09709	6.0
87.10036	0.3
94.03687	0.2
95.08633	0.3
96.69559	0.2
97.02940	0.4
105.07001	0.2
115.05468	0.3
118.07596	0.3
120.08144	0.2
127.03957	0.5
129.10291	0.7
132.10220	3.6
147.04459	0.9
149.00200	0.3
172.08841	0.4
175.03966	0.5
185.16576	0.9
188.08353	0.3
199.57466	0.2
203.07019	0.3
203.08818	0.2
203.10699	0.5
213.05774	0.2
213.09138	0.4
231.02922	2.3
231.06606	0.7
231.08344	0.4
231.10303	0.7
231.17052	4.4
231.19214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
55.93523	0.7
56.05040	0.3
56.96563	1.1
57.03437	1.8
58.06609	0.4
60.08167	8.2
67.98085	0.2
70.06594	2.0
70.75628	0.8
71.04995	2.1
72.08150	1.5
72.93784	0.3
73.08497	1.0
74.06088	0.4
84.08144	1.5
85.02911	100.0
86.09718	1.1
87.10036	0.7
90.94850	0.3
97.06525	0.5
98.06089	0.5
98.09753	0.4
98.97622	0.4
100.69322	0.2
103.03978	0.3
104.96381	0.4
116.07110	0.7
120.08157	0.3
122.97448	0.4
124.11253	0.9
130.60573	0.2
139.03691	0.2
144.10194	1.8
166.31323	0.2
168.03801	0.4
170.11766	6.4
173.08112	10.2
186.02165	0.5
190.98642	0.4
208.99635	0.4
214.14369	0.6
232.11752	0.8
232.15453	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2061
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
50.39419	0.2
57.07080	3.6
59.24714	0.2
59.27872	0.2
63.42832	0.2
65.19966	0.2
66.88881	0.2
69.03424	0.4
69.07063	0.3
70.03785	0.2
70.06604	0.3
71.04983	0.3
71.37966	0.3
81.03374	0.2
81.07076	0.2
91.05499	0.4
95.08643	0.2
97.38309	0.2
103.10258	0.2
105.07027	0.4
106.06555	0.3
107.08589	0.2
118.06554	8.8
119.08599	0.3
127.83970	0.2
132.08087	2.4
133.08871	1.6
133.10054	0.3
134.09657	0.9
135.11580	0.2
145.10146	0.3
146.09618	2.5
147.10449	0.4
160.11223	0.2
162.12856	0.2
174.12776	0.7
174.44231	0.2
176.14355	63.1
177.14706	0.3
179.86882	0.2
187.60324	0.2
191.03423	0.5
218.65013	0.2
232.20610	100.0
233.08160	0.2
233.15578	0.2
233.20929	0.7
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
52.28188	0.8
53.03951	17.4
55.01864	2.4
55.05507	2.4
57.03441	4.9
58.74497	0.8
61.02925	1.2
67.05490	2.9
68.99786	3.7
69.03432	100.0
69.07065	3.0
69.85041	0.8
71.04996	15.9
72.08140	1.0
79.05504	2.2
81.03420	47.7
81.07050	3.4
83.01337	0.9
83.04992	1.0
83.08611	1.2
85.02910	53.5
87.00831	28.2
87.04462	1.0
91.05463	1.5
93.07042	2.7
95.04993	1.2
95.08599	2.2
97.02903	11.2
97.06538	1.2
98.21539	1.7
99.04461	32.2
105.01872	4.5
105.07034	2.6
107.08603	2.9
109.02883	22.8
109.10177	1.2
111.00845	0.9
119.08572	2.3
121.10132	1.0
127.03924	36.2
129.06967	1.1
131.08546	1.0
133.10101	1.3
135.11690	2.6
142.07790	1.6
143.04947	1.2
143.08537	2.5
145.04974	2.3
145.10153	1.2
147.08029	1.3
153.12721	1.1
157.10088	2.1
159.11652	1.5
161.05936	1.1
164.89391	0.9
171.03008	0.9
171.04433	3.1
171.11734	1.8
173.13293	1.3
177.12584	0.8
185.13211	1.4
186.18477	1.0
188.08444	1.0
203.10536	0.8
213.03905	4.2
213.09332	0.8
213.12785	1.2
213.14799	1.3
231.04692	5.2
231.10161	2.4
231.13818	2.7
231.17445	2.5
232.19023	1.1
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
53.03950	16.5
55.01868	1.6
55.05500	3.0
55.93520	1.2
56.59135	0.6
56.96574	5.0
57.02865	0.9
57.03438	4.7
61.02921	1.7
67.05498	3.7
68.99805	5.5
69.03434	100.0
69.07059	1.9
69.60541	0.6
70.06609	1.0
71.01357	0.7
71.05000	14.5
71.05668	1.6
71.93037	0.9
72.08152	2.6
79.05494	1.8
81.03422	49.6
81.07050	1.7
82.05106	0.8
83.01351	1.2
83.08630	1.3
84.04456	1.0
84.08112	1.5
85.02911	58.5
85.10175	2.8
86.09676	1.9
87.00834	28.3
87.04486	1.0
91.05501	0.9
93.07040	1.8
95.08617	1.4
97.02900	19.4
97.06542	0.9
99.04463	28.2
100.16206	0.8
105.01888	4.5
107.08583	0.9
109.02888	25.8
109.06534	1.1
109.10166	1.1
115.02341	0.8
119.08617	1.4
120.04460	1.0
120.08134	1.1
124.02805	1.1
127.03927	42.1
129.06981	1.7
133.03369	4.3
133.10132	0.9
135.11708	1.3
142.03882	3.2
142.07845	0.8
143.00180	1.7
145.05019	2.2
159.11702	1.2
161.01147	1.7
171.02727	0.8
178.05730	0.9
183.02975	0.9
185.09586	1.2
186.99188	1.5
187.06207	2.1
196.06725	2.1
203.10593	0.9
205.00406	1.0
210.06546	2.2
213.03934	4.9
213.09059	1.1
213.12877	0.8
213.16861	1.1
229.03880	0.9
231.02904	1.4
231.05008	7.3
231.09944	3.8
231.13766	1.9
247.04956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03710	1.2
53.03949	15.4
55.01870	2.8
55.05499	1.1
57.03442	4.0
57.07085	0.9
61.02930	1.3
67.05513	1.3
68.99785	4.2
69.03432	100.0
69.07060	2.5
69.45663	4.5
70.06590	0.8
71.04995	13.9
72.04509	2.3
72.08159	1.4
79.05505	2.1
81.03421	44.7
81.07062	1.7
83.04994	1.0
85.02910	50.4
85.06542	1.1
87.00829	26.1
91.05490	1.2
93.07083	2.0
95.08627	2.1
97.02896	17.1
97.06539	1.8
99.04457	27.1
105.01876	4.0
105.07056	2.2
107.08641	1.1
109.02888	25.5
109.03608	1.4
117.07056	1.4
118.06519	1.0
119.08626	2.3
120.08254	0.7
127.03923	31.0
129.07048	2.1
131.08578	1.7
133.06569	0.8
133.10176	1.9
135.04367	0.8
135.08136	0.8
135.11760	0.9
143.08574	1.8
145.05005	2.5
145.10129	1.4
147.04416	0.8
147.08055	1.3
147.11674	0.8
157.10164	2.4
159.11766	1.6
171.08174	1.1
171.11765	1.7
172.08885	0.8
173.09581	0.8
173.13345	1.2
185.09709	1.0
185.13406	0.9
188.08330	1.4
189.03944	0.9
189.05582	1.3
189.09172	1.4
203.10721	0.9
213.03903	5.5
213.09152	3.4
231.04663	5.5
231.06850	1.6
231.09956	6.0
231.13637	4.7
231.17462	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05515	9.7
57.03442	20.6
57.07074	1.8
59.05018	4.7
61.58765	0.9
65.03931	2.1
67.05508	100.0
68.05840	1.1
68.79337	1.2
69.03432	1.2
69.07071	1.6
71.04975	3.3
76.35747	1.0
79.05484	1.5
80.95075	1.0
81.06670	0.9
81.07066	11.0
81.81623	0.9
83.08625	8.2
83.46178	0.9
85.06526	2.8
86.93700	1.0
87.04469	1.0
90.40252	1.0
90.86143	0.9
91.05460	4.1
93.07034	3.5
95.08598	7.3
98.20731	2.4
103.78176	0.9
107.08540	2.7
109.06501	1.1
109.10164	83.7
111.08079	3.0
119.07822	1.0
119.08573	6.6
132.73460	0.9
137.09615	4.5
155.10672	7.2
165.44131	1.2
170.47472	0.9
173.11751	28.5
187.56586	1.0
211.11299	1.0
229.14342	41.7
229.19508	2.0
229.23468	2.0
249.42331	1.1
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
54.98657	0.5
56.96568	28.2
70.06602	0.8
70.09389	1.4
70.09743	0.5
71.95271	2.9
72.08146	0.4
72.96055	1.9
75.81695	0.3
82.83970	0.4
83.92962	0.4
83.97630	1.1
84.08149	0.6
84.96036	1.2
86.09715	3.7
97.99269	0.3
98.97589	100.0
110.97562	0.8
112.99086	0.4
116.00223	2.0
116.98628	36.3
120.01959	0.5
124.00652	0.5
126.02274	1.2
128.98604	0.7
131.18443	0.4
134.01270	1.1
134.99658	7.7
140.00227	0.7
140.03835	2.2
142.05409	2.8
142.08646	0.4
148.04680	0.4
153.00803	0.5
153.02217	0.7
158.04872	2.2
160.06462	3.1
170.04922	2.7
171.03288	3.9
178.07480	0.5
188.00941	0.5
188.06004	2.5
189.00722	0.5
189.04340	10.0
202.07501	0.7
203.05925	0.5
206.05202	0.7
206.07022	9.1
207.05397	2.6
212.05898	1.8
213.04314	0.7
223.75667	0.4
224.08096	6.1
230.07005	16.3
230.15756	1.3
231.05504	2.2
248.08080	23.1
249.06421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03710	1.2
53.03949	15.4
55.01870	2.8
55.05499	1.1
57.03442	4.0
57.07085	0.9
61.02930	1.3
67.05513	1.3
68.99785	4.2
69.03432	100.0
69.07060	2.5
69.45663	4.5
70.06590	0.8
71.04995	13.9
72.04509	2.3
72.08159	1.4
79.05505	2.1
81.03421	44.7
81.07062	1.7
83.04994	1.0
85.02910	50.4
85.06542	1.1
87.00829	26.1
91.05490	1.2
93.07083	2.0
95.08627	2.1
97.02896	17.1
97.06539	1.8
99.04457	27.1
105.01876	4.0
105.07056	2.2
107.08641	1.1
109.02888	25.5
109.03608	1.4
117.07056	1.4
118.06519	1.0
119.08626	2.3
120.08254	0.7
127.03923	31.0
129.07048	2.1
131.08578	1.7
133.06569	0.8
133.10176	1.9
135.04367	0.8
135.08136	0.8
135.11760	0.9
143.08574	1.8
145.05005	2.5
145.10129	1.4
147.04416	0.8
147.08055	1.3
147.11674	0.8
157.10164	2.4
159.11766	1.6
171.08174	1.1
171.11765	1.7
172.08885	0.8
173.09581	0.8
173.13345	1.2
185.09709	1.0
185.13406	0.9
188.08330	1.4
189.03944	0.9
189.05582	1.3
189.09172	1.4
203.10721	0.9
213.03903	5.5
213.09152	3.4
231.04663	5.5
231.06850	1.6
231.09956	6.0
231.13637	4.7
231.17462	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.05500	1.3
57.03425	1.4
57.07064	0.5
64.06228	0.4
67.05503	12.2
69.03425	0.8
69.07066	8.8
69.86401	1.9
70.06544	0.4
71.04994	3.0
75.00338	0.4
75.04486	1.0
75.36126	0.4
79.05484	0.9
81.07056	4.7
83.04990	0.4
83.08632	0.6
85.06571	0.8
91.05466	1.6
93.07030	2.6
95.04968	6.6
95.08611	6.1
101.05975	0.6
105.06344	0.4
105.07027	2.1
107.08600	1.5
109.10158	100.0
115.05522	0.5
117.07026	0.8
119.08589	6.2
121.06515	1.6
121.10152	0.6
123.11709	11.1
127.11195	39.4
128.06261	0.8
129.07008	1.1
131.08591	1.7
133.10124	7.2
135.11681	0.9
137.09618	8.6
141.06992	0.7
143.08586	1.4
145.10106	2.1
147.11703	0.9
151.11157	2.7
155.08603	1.0
155.10655	6.9
157.10132	1.7
159.11731	1.4
161.09619	6.3
165.05547	0.5
169.10149	0.5
169.12254	0.8
171.11749	0.4
173.09624	0.8
173.11758	5.9
173.13297	1.1
179.10666	15.4
179.12216	0.8
183.11671	0.5
183.13742	0.5
185.13315	0.4
197.11748	12.1
211.13306	1.7
211.14949	1.1
211.16963	0.9
222.84343	0.5
229.08745	0.5
229.14034	0.9
229.16145	3.0
229.19508	2.6
229.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01878	4.9
55.05513	6.0
57.03425	2.0
67.05508	19.8
69.07071	9.9
71.04972	2.2
71.18974	1.0
71.19299	1.0
76.36193	0.7
79.05499	11.3
81.07060	44.1
83.04996	5.3
83.08613	4.0
85.06549	3.5
91.05484	20.9
93.07053	9.4
95.04954	3.9
95.08609	7.5
97.06539	10.0
98.21480	0.8
99.08072	1.9
103.80016	0.7
104.99763	0.8
105.07032	25.3
107.08591	7.3
109.06536	7.3
109.10150	5.7
111.04446	0.8
111.08054	1.2
113.05988	2.3
115.05427	1.0
117.07024	1.4
119.08582	24.5
121.10152	15.4
123.08051	2.5
123.11709	21.5
127.07536	1.6
128.93259	0.8
129.07021	8.7
131.08554	4.5
133.10129	7.1
137.09596	1.1
137.13266	1.9
142.07820	1.8
145.10109	2.4
147.08072	1.3
147.11694	70.6
149.09619	3.0
155.08633	1.1
157.10138	19.2
165.12764	37.4
169.10156	1.6
171.11633	1.2
173.09695	1.3
175.11198	16.6
183.13828	1.9
193.12247	6.9
199.75951	0.7
200.60400	0.8
211.13283	3.8
229.08817	1.8
229.14336	100.0
230.14659	1.3
241.44174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Loganetin
Peak:m/z	Relative Intensity
50.42868	1.4
53.03928	1.3
55.01876	100.0
55.05276	1.2
55.05513	16.4
57.03203	1.4
57.03439	19.6
57.07076	1.3
59.04986	4.3
65.03931	2.0
67.05510	52.7
69.03091	1.4
69.03429	9.9
69.06786	1.1
69.07071	11.8
70.06599	6.3
70.38894	2.8
70.39284	2.8
71.01353	8.0
71.04991	10.9
71.08606	1.3
71.17793	1.3
73.02893	2.1
79.05493	13.4
81.03420	7.9
81.06605	2.2
81.07061	35.3
83.04968	4.9
83.08636	11.7
84.08143	1.8
85.02872	5.3
85.06520	4.1
86.09696	5.8
91.05484	20.9
93.07048	17.5
95.04983	15.4
95.08094	1.2
95.08620	15.7
97.02914	8.2
97.06554	8.0
98.26720	1.3
98.97559	1.9
99.04425	4.9
99.08116	10.9
101.01740	1.9
101.02384	31.5
101.05966	1.8
101.44890	1.3
105.03373	1.7
105.07057	9.2
107.04942	7.6
107.08602	7.8
109.02890	24.2
109.06526	6.5
109.10168	42.7
109.88576	1.3
111.04424	3.6
111.08087	10.4
113.02373	72.7
115.05450	1.7
117.07009	4.6
119.04929	1.7
119.08587	15.6
120.05724	2.3
121.06519	10.1
121.10121	3.2
121.91849	1.3
123.04451	8.2
123.08086	8.2
125.02356	62.1
125.06014	3.1
125.09618	1.8
127.03852	1.5
127.07563	8.9
129.06987	3.4
131.08546	5.7
133.06470	4.2
133.10085	5.5
135.08038	1.6
137.05966	3.3
137.09616	12.5
139.03870	6.0
139.07527	5.8
141.05481	1.5
141.09055	6.2
145.06442	1.8
145.10118	2.3
147.08057	14.5
147.11641	6.2
149.05937	6.1
149.09628	22.9
151.03859	2.6
151.06485	1.8
151.07556	25.5
151.11159	1.4
155.07047	74.4
155.08444	5.2
155.10577	2.7
165.09125	69.9
167.07042	7.7
167.10683	15.4
169.04961	2.3
173.05952	2.7
173.09616	4.3
173.11711	9.1
175.07536	5.2
181.08592	2.5
183.07959	2.3
183.10236	3.3
185.08034	1.5
193.08604	28.0
193.12230	2.5
199.09636	5.7
200.04771	1.9
201.09074	2.6
201.12291	1.6
208.03992	1.4
211.07484	6.2
211.09608	9.5
211.11339	1.4
211.13226	3.3
229.05011	2.4
229.08632	8.7
229.10654	64.5
229.13982	14.7
229.17651	1.9
229.19879	3.6
229.23470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
51.02368	0.5
53.03948	3.6
55.01863	0.9
55.05523	3.1
57.03433	2.3
57.07072	0.5
63.82096	0.5
65.03935	1.2
67.05186	0.7
67.05508	11.3
69.03435	18.0
69.07053	2.1
70.06610	0.5
71.04981	1.6
71.52335	0.5
77.03947	0.6
79.05496	4.1
79.65784	0.4
81.02992	0.5
81.03422	4.8
81.07059	5.1
83.04992	4.3
83.08611	2.8
85.02911	1.1
85.06568	2.6
91.05485	6.9
93.03402	1.1
93.07052	6.9
95.04957	2.5
95.08620	3.2
97.02845	0.5
97.06547	1.1
97.10162	0.5
99.08094	0.5
101.33372	0.4
103.05452	0.8
105.04517	0.6
105.07035	8.7
107.04956	1.1
107.08578	1.7
109.02142	0.9
109.02884	18.0
109.06524	1.9
109.10157	9.1
111.08086	1.4
115.05476	1.5
116.06202	0.5
117.07028	4.1
119.07802	0.9
119.08585	9.4
121.06509	7.7
121.10153	2.3
122.34212	0.5
123.08067	0.9
123.11724	1.0
128.06206	2.2
129.06976	4.8
130.07777	1.6
131.08575	13.4
133.06497	0.7
133.10130	10.8
135.08009	1.4
135.11711	0.4
137.09605	0.9
141.06967	1.7
142.07779	2.4
143.08569	10.7
144.05724	0.7
144.09338	4.6
145.06487	4.2
145.10133	9.3
146.07231	0.6
147.08076	1.1
147.11711	2.5
149.09706	0.5
153.07001	2.2
155.08559	6.0
155.10652	1.1
156.09312	0.9
157.06482	0.8
157.10150	4.4
158.07361	2.2
158.10924	13.0
159.08078	6.5
159.11702	9.9
161.09660	1.4
163.03923	1.1
165.12794	0.8
167.08574	1.0
168.09352	4.1
169.10114	1.7
170.10951	6.2
171.08044	5.3
171.11700	0.9
172.08841	8.0
173.05983	1.2
173.09641	31.8
173.11940	1.8
173.13258	39.3
175.07539	1.5
175.11221	1.5
175.14967	0.7
178.07860	0.8
181.06516	1.3
183.08020	0.6
183.11688	9.0
185.09612	1.7
185.13252	2.6
186.10410	19.7
187.07683	2.5
187.11192	58.7
193.10178	1.7
193.12250	4.5
195.07918	0.6
196.08867	5.4
199.07530	2.2
201.12758	55.8
211.07645	0.7
211.11203	11.1
211.13295	6.7
211.15022	1.0
211.16882	0.9
214.09926	3.8
229.08565	2.8
229.12256	100.0
229.14095	4.2
229.15974	3.2
230.12555	0.7
238.51921	0.5
240.39867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1073
Annotation	Loganetin
Peak:m/z	Relative Intensity
50.66864	1.7
55.01876	100.0
55.05513	21.2
57.03436	16.8
57.07067	5.3
59.05007	3.1
65.03949	1.6
67.05505	63.0
69.03442	11.3
69.07076	20.8
70.06587	6.4
70.40803	6.1
71.01355	9.1
71.04998	15.6
72.04507	2.1
73.02927	3.3
79.05077	2.0
79.05495	24.9
81.03414	14.7
81.06593	2.8
81.07058	44.6
83.04990	9.2
83.08623	19.8
85.02915	5.7
85.06545	5.3
86.09712	3.8
89.07467	1.5
89.57349	1.6
91.05483	35.2
93.07047	31.6
95.04974	24.2
95.08618	19.8
97.02894	6.9
97.06537	21.5
97.10174	1.6
98.97568	3.5
99.00820	4.7
99.04433	3.8
99.08112	9.8
101.02384	24.5
103.05508	2.8
105.03388	2.2
105.07034	18.1
107.04948	5.8
107.08593	15.1
108.86257	1.8
109.02890	24.7
109.06516	8.5
109.10162	39.3
110.06934	2.0
111.04430	4.9
111.08083	11.5
112.02975	1.5
113.02370	64.1
113.05959	2.1
116.07105	2.4
117.07025	5.8
119.08580	24.8
121.06535	10.0
121.10139	18.1
122.03642	2.0
123.04438	11.3
123.08098	11.2
123.11752	3.5
125.02357	64.8
125.05984	2.6
125.09634	3.3
127.03894	2.2
127.07581	10.2
128.10725	6.2
129.07010	8.9
131.08556	13.3
133.06483	4.3
133.10118	16.0
135.08049	2.3
136.05200	2.7
137.05954	3.6
137.09622	11.6
139.03880	10.3
139.07555	6.4
139.11189	5.1
141.05354	1.7
141.06982	3.1
141.09114	7.1
145.10164	3.9
147.08058	15.2
147.11726	10.9
149.05992	7.2
149.09619	40.6
151.03972	3.2
151.07547	30.0
152.52698	1.6
153.07014	2.5
153.09042	3.0
154.85258	1.7
155.07039	66.0
155.08501	5.9
155.10640	4.0
156.10213	7.3
156.13846	4.7
157.10147	13.1
159.11719	2.9
165.09122	90.2
165.12834	2.2
167.07030	12.7
167.08263	1.7
167.10687	24.7
169.04974	5.8
169.10126	4.6
173.09637	6.2
173.11824	9.6
173.13124	2.4
175.07521	6.2
175.11143	10.5
181.08595	8.7
181.10037	2.9
183.08090	9.6
183.10158	5.6
184.13367	7.8
186.06659	2.3
188.05226	1.7
193.08612	22.3
193.12230	14.9
199.09639	5.1
200.04819	2.3
201.09184	3.6
201.12593	4.5
211.07562	16.3
211.09653	13.4
211.13142	10.9
229.05063	3.2
229.08589	17.3
229.10716	70.2
229.14325	11.9
229.16292	9.4
229.19341	4.0
229.23662	2.3
244.99673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.7
53.38556	0.5
55.01631	0.8
55.01875	7.9
55.05509	2.3
56.05030	0.6
56.96568	0.7
57.07071	0.5
59.18815	0.5
67.05499	2.1
68.05021	0.6
69.03439	0.7
69.07061	0.8
69.31491	4.2
70.06603	3.4
72.04504	0.9
72.08162	1.3
73.02921	1.0
79.05487	3.1
81.07068	3.6
82.06591	0.7
83.05004	0.7
83.06100	1.2
84.04499	1.1
84.08151	3.4
85.02931	0.5
85.06531	0.7
86.09718	6.3
87.04477	1.0
87.10040	1.5
91.05497	4.9
93.07041	4.7
94.06576	1.6
94.07395	0.5
95.04968	1.2
95.05517	0.8
95.06097	12.0
95.07375	1.1
95.08588	1.7
96.08139	1.4
96.69115	0.5
97.06516	1.0
98.06046	0.7
98.20752	0.7
98.97594	0.8
101.11586	1.1
105.07027	4.9
107.07323	0.8
107.08583	4.1
108.08149	5.3
109.06528	1.0
109.10168	1.0
110.06068	1.1
110.07189	1.0
112.03970	1.2
112.07615	0.7
112.08728	3.7
116.07095	0.7
117.07014	0.6
119.08585	6.0
120.08121	1.6
121.06510	1.0
121.08885	1.5
121.10146	2.3
122.06060	5.5
122.09689	6.5
123.06824	1.1
123.08054	1.2
124.07592	1.1
124.11208	0.7
126.09145	1.1
129.07022	1.2
129.10231	2.8
131.07289	1.3
132.08090	0.7
133.06479	2.6
136.07584	3.0
136.11226	15.8
138.09180	3.8
146.09659	3.6
147.08047	3.5
148.07555	1.3
149.09628	2.3
150.09149	20.6
155.11804	0.6
162.09129	1.7
163.12367	1.2
164.07092	6.6
164.10722	34.6
165.07256	0.6
165.09099	0.6
168.07443	1.2
168.10181	0.9
174.09164	5.5
175.07593	1.1
182.08188	1.3
182.11794	6.7
182.15398	2.0
184.13371	1.6
192.10201	70.4
200.12712	1.3
207.05980	0.6
210.11269	66.5
210.14745	2.6
211.14438	2.7
228.12321	100.0
228.17163	14.2
228.23177	5.1
229.12462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
56.96570	34.8
57.03446	5.4
57.88321	0.7
58.06599	2.0
58.50779	0.5
58.99875	1.2
60.08166	1.7
60.95866	0.6
61.02931	11.7
68.05039	0.7
68.98293	2.7
69.03429	2.4
70.06601	10.1
70.98131	5.9
70.99863	3.0
71.04993	0.7
71.51228	0.6
71.51679	1.1
71.95269	1.7
72.08148	1.1
72.96052	1.7
73.01383	0.9
73.02928	4.2
74.97597	0.6
77.00902	0.7
81.03445	1.2
82.01472	0.8
82.99847	8.4
83.01517	1.3
83.97632	1.4
84.04469	0.7
84.08147	1.2
84.55602	0.6
84.96033	1.7
85.02912	6.8
86.09720	2.7
86.36694	0.5
86.99332	1.7
87.04462	0.6
88.99176	1.5
89.00834	2.3
89.40180	0.6
95.06100	2.0
96.06431	1.1
96.08166	0.7
97.00551	0.9
97.01397	1.3
97.02336	0.6
97.02892	3.5
97.99191	0.9
98.01300	1.5
98.97594	47.2
99.04470	1.0
99.97872	0.5
100.02508	0.7
101.00891	66.8
102.00972	0.9
105.00382	0.6
106.01019	1.7
107.01820	1.2
108.97774	0.8
109.02920	1.2
110.01288	3.6
110.97572	4.8
111.00475	0.6
112.08770	0.9
112.99157	1.5
113.00884	4.8
114.05557	0.8
115.00686	1.0
115.02453	5.3
115.03848	0.5
116.01335	0.7
116.07083	0.8
116.98633	17.5
117.00259	0.7
117.01921	1.2
118.01024	1.8
119.01923	100.0
119.52038	0.6
120.02019	2.2
121.01675	0.9
123.00300	0.7
123.01251	0.6
123.25703	0.5
124.95459	1.6
124.99144	1.1
126.00689	1.0
126.02548	0.9
126.98796	6.9
127.00676	0.6
127.01567	1.2
127.02444	1.6
127.03931	1.9
127.98950	1.1
128.02330	12.4
128.98604	5.0
131.00256	1.1
131.01927	13.4
132.00772	2.2
132.97833	0.7
133.01714	1.6
133.03464	11.1
133.04984	0.7
134.01366	0.7
134.99696	4.5
135.03110	3.3
137.02954	14.9
137.05989	0.7
139.01556	1.2
139.03305	1.0
140.03871	1.7
140.55106	0.5
140.98599	1.3
141.01329	1.3
141.03033	1.5
141.98674	0.7
142.03513	1.2
142.05440	2.2
142.08640	9.3
142.96480	0.6
143.00153	2.1
143.01891	4.9
144.03493	0.8
144.98091	0.7
144.99852	8.3
145.01649	1.1
145.03467	8.6
145.99997	0.8
146.02380	0.7
146.99643	3.6
147.01352	1.4
147.03114	0.9
148.02081	1.3
148.03864	4.2
149.02946	2.4
150.01782	0.9
150.97020	0.9
151.04546	1.5
154.02055	1.1
154.03850	1.2
154.96579	0.8
155.02864	1.1
156.98158	1.5
157.03465	1.2
157.04497	1.4
158.04913	1.6
158.99661	3.2
159.01384	2.7
160.02048	1.6
160.06482	1.8
161.01170	1.4
161.02972	7.2
162.01797	1.7
162.03073	0.9
163.00967	0.7
163.02580	1.1
163.04471	1.9
165.00638	0.7
168.01863	3.1
168.51973	0.9
168.98138	2.5
168.99825	12.6
169.02596	2.6
169.04405	1.6
169.99924	0.7
170.04845	1.7
170.96059	0.7
170.99728	0.9
172.94359	0.7
172.97610	1.9
172.99313	2.7
173.01393	0.8
173.02989	2.0
173.99503	2.0
174.01802	1.0
174.99176	2.4
175.00769	0.8
175.02650	1.3
175.04532	1.7
177.00896	1.1
177.02390	4.9
177.52495	0.9
178.02983	1.0
178.04926	2.1
178.07448	0.7
179.04013	1.5
182.01724	0.7
182.03329	0.6
182.99744	0.9
183.02426	3.7
184.03122	2.7
184.04742	1.1
186.99207	3.1
187.00891	34.0
187.02599	1.3
187.04401	1.3
188.00920	0.8
188.05936	2.3
188.97159	1.1
189.00737	2.0
189.02309	1.1
189.04237	1.6
190.95276	0.8
191.00436	0.7
191.02147	0.8
191.03949	2.2
192.02818	1.8
193.00165	1.3
193.03685	1.4
196.99310	6.4
197.01109	6.2
201.00868	1.3
201.02466	3.7
204.02853	2.2
205.00189	2.3
205.01949	9.3
205.03818	0.7
206.01863	0.7
206.07037	11.0
210.02472	0.9
213.03339	2.1
215.00377	22.4
215.02107	1.2
217.00284	1.0
219.01657	1.3
219.03488	3.1
220.04263	1.3
220.05971	1.7
220.99762	0.9
223.01254	0.9
224.02631	1.6
224.08057	10.0
229.01770	1.4
229.03842	1.9
229.06357	1.8
229.08656	2.1
229.15474	30.0
229.17419	3.0
230.06972	3.0
232.99486	0.9
233.01447	2.3
237.02754	2.2
247.02856	1.7
247.09668	1.4
248.08096	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	228.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20028	0.4
55.05521	0.6
56.96298	0.4
56.96558	9.9
61.02932	0.7
65.30091	0.4
69.03432	0.7
70.06577	0.9
70.58506	0.6
70.58838	0.8
70.98112	0.6
72.08176	0.6
73.02921	1.3
81.07059	1.1
83.06104	1.9
83.92463	0.5
84.08147	1.5
85.02905	1.2
86.09686	0.5
95.05515	0.9
95.06100	13.7
95.06715	0.7
97.02897	1.5
98.97578	5.6
101.00871	0.4
101.67331	0.4
110.97541	1.1
112.07623	0.8
112.08739	5.0
115.03957	0.4
116.98612	1.0
128.00182	0.4
128.98631	1.0
129.10255	1.1
131.00250	0.6
137.05949	0.6
138.02299	1.7
140.98627	0.7
142.01727	0.6
147.03094	0.5
155.04636	1.3
156.03333	91.8
158.99692	1.1
163.12323	1.2
168.01941	1.5
168.03325	38.1
174.04402	41.3
177.00792	0.6
177.02330	0.6
186.04396	100.0
192.05458	3.5
193.13354	1.2
197.05986	0.9
204.05457	42.4
205.03909	0.6
209.05939	1.7
210.16013	3.1
211.14447	2.7
222.06541	1.2
227.07120	0.6
228.05449	25.9
228.17087	17.5
228.23268	0.7
240.68330	0.5
246.06529	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	228.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38472	1.1
55.01875	6.7
55.05506	1.9
56.96569	21.6
57.03434	11.3
58.29348	1.2
58.99862	2.8
60.95830	1.1
61.02928	35.4
62.03272	1.2
68.05016	1.9
68.98286	1.5
69.03426	6.2
69.82478	6.1
70.06580	3.1
70.98129	12.7
70.99863	6.3
71.04984	2.1
73.01416	2.1
73.02924	10.1
73.18130	1.1
77.00877	1.1
81.03426	2.6
81.07052	4.1
82.01448	30.5
82.06594	1.9
82.99831	4.2
83.06126	5.6
84.08141	10.1
84.96027	2.5
85.02905	15.4
86.99316	1.3
87.04469	1.9
88.99138	2.5
89.00838	2.1
91.02464	4.0
95.06097	40.1
97.01346	1.2
97.02351	1.1
97.02882	6.8
98.01303	1.4
98.97583	21.9
99.04475	1.6
100.02487	35.3
101.00883	33.8
102.00957	1.8
103.00595	1.5
103.02444	2.5
104.01250	1.4
105.02131	1.7
106.01013	1.4
108.75834	1.1
108.97720	1.6
109.00468	1.3
109.02887	1.7
110.01298	2.7
110.97547	6.5
111.00231	1.5
111.02888	2.1
111.99395	1.0
112.00999	1.8
112.05103	1.3
112.08734	14.5
112.99137	1.9
113.00883	5.9
113.02374	3.0
115.02475	5.6
116.01242	1.5
116.98608	7.1
117.01894	3.2
117.03974	1.5
118.01074	2.3
118.03539	8.1
119.01917	44.9
120.02016	2.4
121.01627	2.5
122.02138	1.4
124.01835	1.2
124.95472	2.0
125.00858	1.5
126.98774	16.1
127.01540	2.9
127.02398	2.1
127.03917	4.5
128.02269	2.7
128.98630	8.3
129.00322	1.5
129.03961	1.4
131.00259	2.1
131.01889	14.7
131.02728	2.1
132.00795	2.0
133.01669	2.0
133.03465	11.2
135.01260	1.8
135.05179	1.3
137.01842	1.3
137.02914	5.6
137.05962	5.9
138.04039	1.5
139.02455	1.3
139.99779	2.5
140.05005	3.9
140.55142	1.5
140.98598	2.4
141.03059	2.6
142.02007	1.9
143.01868	6.5
143.02844	1.6
144.98045	1.5
144.99838	21.8
145.00957	1.9
145.01488	1.8
145.02458	1.7
145.03474	3.2
146.99626	7.5
147.01303	3.0
147.03149	3.2
147.04947	1.9
148.03873	1.8
149.01295	2.6
149.02907	3.3
150.00385	4.4
151.04514	2.3
154.03517	2.6
154.96558	1.4
154.98264	6.9
156.03508	3.8
156.05051	8.8
156.98062	1.8
157.03470	4.1
158.01248	1.4
158.03497	1.8
158.99649	4.9
159.01270	6.2
160.01994	1.4
161.01074	1.5
161.02916	10.3
163.00873	1.6
163.02650	1.4
163.04376	1.6
163.12286	3.9
165.00752	3.6
166.03590	1.8
168.01492	19.1
168.03563	3.9
168.99879	2.6
170.05098	1.3
172.01436	1.6
172.04881	1.3
172.97743	2.4
172.99323	36.7
173.00880	2.2
173.02954	3.6
173.99275	1.3
174.01735	2.3
174.99124	2.6
175.00801	1.8
177.00876	2.5
177.02412	13.1
177.04147	3.5
177.99788	5.9
181.99895	1.6
182.01465	1.4
182.06410	2.9
184.04601	1.5
185.02959	1.6
186.02905	2.2
186.99254	2.3
187.00870	13.8
188.97083	1.4
189.00589	2.9
189.02368	3.2
190.98752	3.0
191.00375	10.7
191.02061	2.4
191.03922	3.5
193.00165	2.7
193.13370	3.0
196.00931	100.0
197.02946	1.7
198.02815	1.4
200.04048	3.7
201.00748	1.6
201.02464	4.3
203.04019	2.9
205.00168	4.8
205.01942	11.9
207.01691	2.0
210.02487	2.7
210.15977	7.4
211.14409	7.2
214.01971	25.3
215.00391	6.2
216.08205	2.0
217.02077	2.2
219.01726	1.9
219.05302	1.2
221.05133	1.5
223.01196	2.4
223.03064	2.1
225.08575	1.7
225.58749	2.4
228.03574	35.4
228.05638	5.0
228.17084	53.0
231.03522	2.2
237.02942	1.4
246.04509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03956	3.8
55.01870	7.2
55.05515	22.0
57.03444	13.7
57.07071	8.3
59.04993	6.9
65.03931	3.6
67.05515	16.6
69.03437	13.3
69.07072	39.3
70.06594	2.4
71.05000	26.5
71.15567	6.0
72.93793	3.1
73.02917	6.4
78.04733	3.0
79.05500	19.0
81.03433	3.7
81.07062	46.6
83.04975	17.3
83.08615	22.5
85.06541	18.0
86.09705	36.8
87.04470	9.9
91.05475	12.7
93.07052	63.5
95.04974	100.0
95.06046	4.5
95.08607	31.3
97.06535	25.4
97.10160	6.2
98.82571	2.4
98.97600	4.6
99.04485	17.1
99.05013	3.1
99.08099	39.3
100.11281	27.0
105.03374	4.3
105.07036	27.5
107.08596	42.0
109.06527	22.6
109.10155	17.4
110.06062	3.2
111.04436	8.6
111.08096	10.6
111.11729	5.0
113.06053	3.7
113.09666	5.5
115.07597	9.3
117.07053	4.5
119.08570	16.3
121.06528	5.9
121.10152	70.7
123.08076	10.7
123.11705	49.9
125.09636	14.6
127.07528	21.7
131.08539	7.6
133.10147	41.9
135.04422	3.3
135.08044	8.1
135.11702	10.2
137.05994	5.0
137.09622	8.6
139.11183	18.1
140.04662	5.8
141.11484	4.1
143.10651	4.8
145.10117	5.8
147.11716	14.8
149.09637	33.9
149.13245	16.6
151.11183	33.6
153.09105	44.3
153.12767	3.5
155.07014	6.0
163.11183	4.7
163.14807	8.8
163.64339	3.0
165.12775	9.8
167.07071	16.3
167.10686	77.4
167.14299	5.2
169.08578	5.6
171.10197	12.0
173.13257	17.8
177.05515	3.0
179.07103	2.6
181.04939	8.9
181.12260	5.3
182.15337	3.4
191.10622	4.4
191.14375	20.9
199.18068	6.5
209.08139	13.0
209.11867	4.0
209.15268	32.2
213.17815	5.5
215.10263	3.4
227.12727	6.8
227.14362	2.4
227.16304	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.34922	0.7
55.01870	6.0
55.05513	5.2
56.96568	0.8
57.03444	8.2
57.07073	1.5
67.05509	6.6
69.03425	2.7
69.07068	7.1
70.80159	1.5
71.05000	9.9
75.04480	4.1
79.05492	8.0
81.07063	10.1
83.04972	2.2
83.08621	2.9
85.06540	5.6
86.09705	4.0
91.05502	4.7
93.07064	10.3
95.04974	100.0
95.08609	10.2
97.06537	18.9
97.10182	1.6
98.97612	1.6
99.04461	22.6
99.08103	6.9
100.11255	4.5
105.07041	6.4
107.04961	1.1
107.08602	16.3
109.06532	12.7
109.10169	7.4
111.04455	1.0
111.08099	2.9
113.06030	1.7
113.52448	0.6
114.66943	0.7
115.07584	4.6
119.08563	4.8
121.06520	2.4
121.10155	9.9
123.04430	1.0
123.08051	3.7
123.11730	2.4
125.06024	1.5
125.09636	3.3
126.09203	1.0
127.07560	4.0
129.07080	0.9
131.08575	3.3
133.10139	14.2
135.08075	3.7
135.11699	3.5
139.11182	5.5
143.08635	0.8
145.10162	3.0
147.11708	3.8
149.09648	1.7
149.13272	4.5
151.07495	1.2
151.11247	2.1
151.75409	0.8
153.09114	33.8
153.12756	1.9
155.08672	0.7
157.10164	1.2
163.11191	6.4
163.14882	2.0
165.12872	0.7
167.07138	4.5
167.08366	1.1
167.10725	1.3
167.14293	0.8
169.08623	15.4
171.10193	4.8
171.11516	0.8
173.13269	6.7
174.82774	0.7
177.05482	1.4
181.06578	0.7
181.12286	2.8
182.15344	3.5
183.13667	0.8
185.07076	1.7
185.09621	0.9
191.10739	2.0
191.14334	8.6
194.31339	0.7
209.08124	1.1
209.11816	1.6
209.15347	22.8
210.14899	4.3
227.07021	1.0
227.12758	2.5
227.16299	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03949	1.9
55.01846	2.7
55.05516	10.0
55.43619	1.4
57.03423	6.3
57.07068	5.0
57.17830	1.5
59.04977	5.2
67.05507	11.6
69.03407	5.4
69.07076	15.1
70.06599	2.1
70.95969	2.1
71.04997	35.2
79.05508	9.4
81.03378	2.2
81.06673	1.5
81.07063	16.2
83.04969	6.0
83.08594	7.0
85.06557	15.4
86.09702	11.4
91.05489	10.2
93.07048	24.0
95.04972	100.0
95.08610	22.1
96.08038	1.7
97.05954	1.6
97.06535	23.0
97.10150	5.1
99.04459	62.2
99.07500	2.4
99.08092	31.3
100.11268	10.2
103.05383	2.2
105.07033	14.8
107.04942	3.4
107.08604	31.3
109.06519	20.9
109.10155	15.3
111.04457	2.4
111.08025	5.7
113.05958	2.1
113.09614	6.0
115.07541	6.7
119.08580	10.0
121.06474	5.0
121.09344	2.0
121.10155	28.5
123.08026	5.8
123.11745	10.4
125.05978	2.1
125.09624	10.3
127.07573	18.6
131.08565	9.2
133.10143	37.7
135.08040	9.7
135.11691	9.5
137.05962	2.0
137.09596	4.8
139.11192	13.8
142.97556	1.6
143.01884	3.7
143.08546	2.8
143.10687	5.4
145.10074	5.9
147.11703	10.5
149.06003	2.8
149.13251	13.0
151.11160	8.2
153.07980	2.1
153.09119	33.3
155.06984	1.7
158.10944	2.7
161.02882	2.0
163.07602	2.2
163.11169	2.9
163.14761	6.4
165.12688	2.4
167.07083	17.0
167.10658	3.3
169.08562	6.1
169.12178	4.1
171.10220	11.5
173.13281	18.7
177.05432	4.5
181.12132	2.0
183.13841	5.1
186.27295	1.6
191.10609	2.5
191.14331	18.3
200.86497	1.7
209.08195	2.4
209.11740	2.8
209.15331	22.6
227.10541	2.7
227.12587	3.2
227.14340	6.1
227.16368	63.8
228.17032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.38494	0.3
53.03948	1.6
55.01865	0.8
55.05519	4.1
56.02657	1.2
56.96567	0.9
57.03434	1.0
57.07076	0.8
65.03947	0.7
67.05512	18.6
69.03423	0.5
69.07078	3.7
69.57245	0.3
69.68155	0.3
69.97831	0.7
69.98214	0.6
71.04999	100.0
71.66932	0.3
72.93803	0.6
79.05497	8.0
81.07064	29.5
83.04996	1.5
83.08630	3.1
85.02906	0.4
85.06553	3.6
91.05487	4.9
93.07053	14.4
95.04980	1.7
95.08618	15.2
97.06533	4.3
97.10188	1.4
99.04479	0.5
99.08117	1.1
100.11270	2.4
105.07025	2.4
107.04980	0.8
107.08598	6.6
109.06544	1.4
109.10162	2.1
111.04401	0.4
111.08094	2.0
113.06033	0.6
113.96433	0.4
117.07043	3.3
119.08615	1.2
121.06528	1.3
121.10142	2.7
123.08105	0.4
123.11753	0.5
125.09689	0.7
127.07608	0.6
128.06291	0.4
129.07066	0.9
131.08580	4.8
131.09419	0.4
133.10149	4.1
135.08121	1.4
135.11700	11.5
137.05994	2.4
139.07574	0.5
143.08594	1.6
145.10181	1.4
147.11734	0.4
149.09723	0.9
149.13286	6.1
151.11238	0.6
153.09183	0.6
155.07018	0.3
157.10196	0.8
159.11700	8.6
161.13347	0.5
163.11215	0.6
165.07683	0.4
166.07747	0.3
167.07074	0.8
167.10715	0.4
169.08658	0.4
171.11765	0.9
174.08032	0.6
177.12762	3.8
181.12326	0.4
185.13301	0.7
185.58789	0.3
189.11362	0.4
191.14336	0.5
195.13788	2.3
195.83434	0.4
209.15266	2.9
212.08449	0.3
215.06424	0.4
227.07149	1.4
227.10611	0.9
227.12828	1.9
227.16273	0.5
227.18068	3.5
228.23395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01874	28.4
55.05511	28.5
57.03434	6.5
57.07081	6.2
59.04979	1.3
59.63958	1.1
65.94475	1.3
67.05508	18.8
69.03442	6.8
69.07072	28.6
69.81377	1.9
69.81776	4.1
70.06570	2.0
71.04996	40.8
71.44656	1.3
72.08136	1.4
73.02896	1.5
79.05493	15.8
81.03387	3.1
81.07059	35.9
82.06546	5.2
83.04555	1.0
83.04975	10.7
83.08630	12.7
85.06547	24.3
85.96447	1.4
86.09662	3.5
91.05476	12.5
91.58071	2.9
93.07047	38.9
95.04971	32.8
95.08614	44.3
97.02940	1.2
97.06533	22.0
97.10158	2.9
98.09670	1.5
99.04458	61.2
99.08100	7.5
100.07566	1.6
100.09410	4.9
100.11262	46.4
103.05391	1.1
105.06417	1.8
105.07032	21.2
107.04929	3.2
107.08595	53.4
109.06535	14.0
109.09509	1.2
109.10165	19.2
110.06010	6.0
111.04447	7.8
111.08055	7.1
113.06002	8.2
113.09575	2.8
114.09112	1.8
115.07515	3.6
117.07008	3.1
117.13831	3.4
119.08573	12.7
121.06554	5.8
121.10154	29.6
123.04362	1.4
123.08067	21.4
123.11706	12.1
125.05931	3.3
125.09647	9.0
126.09080	1.9
127.07471	3.8
128.07045	2.2
129.05450	1.3
129.06995	1.5
131.08566	7.3
133.06424	1.9
133.10136	24.4
135.08031	6.5
135.11693	10.0
137.05888	1.3
137.09534	4.7
139.07497	1.8
139.11183	9.4
141.09039	1.7
141.11504	14.2
143.10643	2.4
143.11679	2.1
145.10132	8.3
147.11702	10.6
149.05927	2.1
149.09653	6.3
149.13266	16.5
150.09077	2.6
151.07571	10.7
151.11201	16.9
153.09094	11.4
153.12654	2.6
154.12199	3.6
155.11209	2.2
161.13281	7.7
163.11183	19.2
163.14737	4.9
163.64369	12.6
165.12769	7.4
167.07050	7.3
167.10678	11.7
167.14287	3.4
169.08612	100.0
169.12222	3.1
171.10046	4.0
171.11510	2.7
172.15569	1.6
173.09589	1.8
173.13281	11.3
177.05434	1.5
178.08525	3.0
179.14229	3.0
181.12265	8.7
182.15411	9.2
183.13829	9.3
185.07066	2.5
185.11659	2.1
191.10672	6.9
191.14304	12.2
197.15396	5.9
199.18143	6.7
209.11708	7.6
209.15247	21.5
210.14835	3.0
213.15901	1.8
213.17798	32.2
227.12859	8.8
227.16309	61.4
244.20067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01870	3.4
55.05515	12.1
57.03434	5.3
57.07069	6.0
59.04996	3.3
59.87702	1.4
65.03918	1.5
67.05505	10.7
69.03086	1.9
69.03424	7.0
69.07073	20.4
70.06584	3.6
71.04991	16.4
71.40138	2.3
72.93813	2.0
75.04477	2.2
75.53655	1.4
78.90747	1.4
79.05484	13.5
81.03420	1.7
81.07056	36.2
83.04982	6.1
83.08616	6.1
84.04506	1.5
84.08158	1.9
85.02878	1.8
85.06542	12.2
86.09712	24.2
87.04466	13.1
89.39450	1.6
91.05473	13.1
93.07049	45.4
95.04970	100.0
95.08607	18.3
97.06534	21.3
97.10176	4.3
98.97601	3.5
99.04446	12.5
99.08109	17.1
100.11257	14.3
103.05463	2.5
105.07035	23.0
107.04947	5.0
107.08595	22.5
109.06530	13.9
109.10191	8.4
111.04462	2.0
111.08082	5.3
111.11734	4.2
113.96409	2.1
115.07565	3.2
117.06977	1.7
119.08583	11.2
121.06506	5.0
121.10148	73.3
121.20733	1.6
123.04434	2.2
123.08067	7.5
123.11715	55.3
124.12091	1.6
125.06004	2.0
125.09614	10.3
127.07550	9.9
131.08597	7.9
133.10144	24.6
135.08081	4.0
135.11699	4.4
137.09608	3.5
139.03880	1.5
139.11166	10.9
143.10706	5.6
145.10139	5.5
147.11670	14.7
149.06007	3.1
149.09622	31.1
149.13264	5.8
151.07515	1.6
151.11197	33.6
153.09113	34.2
163.11174	4.0
163.14842	4.3
165.12750	4.8
167.07043	56.6
167.10681	90.0
171.10159	15.3
173.13261	13.2
177.05539	4.5
179.10649	1.6
181.08629	2.3
181.12206	1.6
191.10703	6.3
191.14317	11.5
195.06555	1.8
199.18115	2.2
202.31160	1.4
209.08128	4.6
209.11766	5.1
209.15277	18.6
210.14940	2.0
227.06914	1.7
227.12709	5.3
227.16360	47.0
228.17006	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	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03930	3.4
55.01874	28.4
55.05511	28.5
57.03434	6.5
57.07081	6.2
59.04979	1.3
59.63958	1.1
65.94475	1.3
67.05508	18.8
69.03442	6.8
69.07072	28.6
69.81377	1.9
69.81776	4.1
70.06570	2.0
71.04996	40.8
71.44656	1.3
72.08136	1.4
73.02896	1.5
79.05493	15.8
81.03387	3.1
81.07059	35.9
82.06546	5.2
83.04555	1.0
83.04975	10.7
83.08630	12.7
85.06547	24.3
85.96447	1.4
86.09662	3.5
91.05476	12.5
91.58071	2.9
93.07047	38.9
95.04971	32.8
95.08614	44.3
97.02940	1.2
97.06533	22.0
97.10158	2.9
98.09670	1.5
99.04458	61.2
99.08100	7.5
100.07566	1.6
100.09410	4.9
100.11262	46.4
103.05391	1.1
105.06417	1.8
105.07032	21.2
107.04929	3.2
107.08595	53.4
109.06535	14.0
109.09509	1.2
109.10165	19.2
110.06010	6.0
111.04447	7.8
111.08055	7.1
113.06002	8.2
113.09575	2.8
114.09112	1.8
115.07515	3.6
117.07008	3.1
117.13831	3.4
119.08573	12.7
121.06554	5.8
121.10154	29.6
123.04362	1.4
123.08067	21.4
123.11706	12.1
125.05931	3.3
125.09647	9.0
126.09080	1.9
127.07471	3.8
128.07045	2.2
129.05450	1.3
129.06995	1.5
131.08566	7.3
133.06424	1.9
133.10136	24.4
135.08031	6.5
135.11693	10.0
137.05888	1.3
137.09534	4.7
139.07497	1.8
139.11183	9.4
141.09039	1.7
141.11504	14.2
143.10643	2.4
143.11679	2.1
145.10132	8.3
147.11702	10.6
149.05927	2.1
149.09653	6.3
149.13266	16.5
150.09077	2.6
151.07571	10.7
151.11201	16.9
153.09094	11.4
153.12654	2.6
154.12199	3.6
155.11209	2.2
161.13281	7.7
163.11183	19.2
163.14737	4.9
163.64369	12.6
165.12769	7.4
167.07050	7.3
167.10678	11.7
167.14287	3.4
169.08612	100.0
169.12222	3.1
171.10046	4.0
171.11510	2.7
172.15569	1.6
173.09589	1.8
173.13281	11.3
177.05434	1.5
178.08525	3.0
179.14229	3.0
181.12265	8.7
182.15411	9.2
183.13829	9.3
185.07066	2.5
185.11659	2.1
191.10672	6.9
191.14304	12.2
197.15396	5.9
199.18143	6.7
209.11708	7.6
209.15247	21.5
210.14835	3.0
213.15901	1.8
213.17798	32.2
227.12859	8.8
227.16309	61.4
244.20067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
53.03940	2.1
53.29242	1.6
55.01863	7.2
55.05512	12.6
56.96535	1.7
57.03442	40.9
57.07074	10.5
59.05011	17.9
59.09747	1.5
67.05505	10.4
69.03436	11.6
69.07071	13.2
69.64101	10.4
69.76982	1.6
71.04998	61.1
78.96746	1.5
79.05487	18.2
81.03372	2.2
81.07058	16.9
83.04585	1.6
83.04989	22.6
83.08615	7.6
85.02459	2.2
85.02915	34.4
85.06538	17.4
86.55426	1.6
89.06005	1.9
91.05489	9.8
93.07059	20.1
95.04932	6.3
95.08607	19.1
97.06525	17.8
97.10136	2.3
98.21589	2.9
99.04429	5.3
100.11248	9.6
105.06999	5.6
107.04983	13.5
107.08604	14.0
107.64972	1.9
109.06477	4.0
109.10122	6.1
111.04449	49.7
111.08082	7.8
113.06013	1.9
113.09630	2.7
115.17074	1.7
117.07033	3.7
117.09104	2.8
119.08553	3.6
121.06501	14.8
121.10143	13.6
123.04376	1.8
123.08014	6.8
125.05202	2.6
125.06004	30.2
125.09607	13.4
127.03911	4.1
128.06229	2.0
129.06969	2.4
131.05994	1.5
131.08517	6.7
133.10118	2.2
133.14465	1.6
135.08028	3.8
135.11632	4.6
137.05954	4.2
139.03996	1.5
139.07480	6.5
139.11174	12.5
142.07732	2.2
143.08504	2.8
145.08578	3.5
145.10095	3.4
149.09642	18.6
149.13232	1.6
151.07527	3.5
151.11282	2.0
153.05482	29.6
153.09097	7.9
155.07048	1.7
157.10081	1.9
163.11072	4.7
165.72305	1.5
167.06992	6.8
167.09407	1.6
167.10690	27.3
169.08611	18.8
171.07954	2.4
171.11678	2.6
177.09024	3.2
181.12157	3.6
185.07155	1.9
185.09717	1.7
189.11252	1.7
195.10181	100.0
199.07558	1.9
199.11011	1.7
209.11632	2.8
209.15305	4.5
227.12689	79.4
227.17889	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03945	1.7
55.01874	9.6
55.05511	10.8
56.96568	2.8
57.03428	6.4
57.07069	7.7
59.04990	1.8
65.03932	6.9
67.05508	32.4
69.03426	5.2
69.07071	16.3
70.06594	3.4
70.50366	4.0
71.04995	22.4
72.93761	1.6
73.02921	29.3
74.14131	1.2
74.26484	1.0
75.04467	1.8
79.05069	2.4
79.05496	29.0
81.03416	4.1
81.07063	16.7
81.99789	1.2
82.04203	1.5
83.04974	10.3
83.08611	5.3
84.08111	1.7
85.02916	5.3
85.06548	100.0
86.09709	41.5
91.05482	20.4
93.07056	32.4
95.04971	68.9
95.08614	10.1
97.06535	20.3
97.10206	2.8
98.97597	1.6
99.04457	13.2
99.08102	11.6
100.11254	11.5
103.05482	2.7
105.07037	19.7
107.04953	11.8
107.08598	37.6
109.06530	13.0
109.10175	7.3
110.03653	1.8
110.07211	1.3
111.04449	15.7
111.08089	4.4
113.05981	1.6
115.05438	1.4
115.07613	1.2
117.07000	6.3
119.08577	21.1
120.04496	1.2
121.06509	17.2
121.10136	27.3
123.04429	10.8
123.08067	4.4
123.11718	3.8
125.02402	1.8
125.05993	9.4
125.09638	6.5
127.07525	2.5
129.07021	6.4
130.06566	1.4
131.08575	59.1
133.10133	15.4
133.97580	1.2
135.04417	2.1
135.08047	7.4
135.11702	9.1
137.05960	6.1
137.09641	11.6
138.03146	1.5
139.07498	2.5
139.11183	4.7
140.04689	42.2
141.05489	1.6
143.08614	1.9
145.06471	2.0
145.10136	32.5
147.08038	5.3
147.11714	5.4
149.06000	4.7
149.09625	64.0
149.13237	4.9
151.11171	3.4
153.05516	6.5
153.09113	23.4
155.07042	58.7
155.08397	2.4
159.09148	2.3
163.07607	4.7
163.11186	24.3
163.14828	3.8
165.09135	10.9
167.06081	1.1
167.07085	12.6
167.10687	28.7
169.08723	1.3
171.04446	2.2
171.06538	3.7
171.07930	1.5
171.10170	2.1
173.08243	2.7
173.09631	7.3
173.13258	7.8
177.05504	2.8
179.07077	2.6
179.10681	3.5
181.04961	84.6
181.08540	3.3
181.12193	1.9
185.07082	5.2
186.22151	1.5
191.10674	54.4
191.14282	8.8
197.11760	1.7
199.18025	3.4
209.06287	2.5
209.08173	21.6
209.11734	63.6
209.15176	15.4
212.04791	1.7
213.06560	1.9
224.57262	1.4
227.03427	3.0
227.06799	2.3
227.09169	18.0
227.12663	29.9
227.16467	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01869	26.5
55.05503	4.2
57.03430	1.7
57.07073	3.0
67.05511	9.1
69.03436	3.2
69.07069	16.6
69.43134	1.3
69.51347	9.0
71.04987	4.1
71.90490	1.2
79.05502	7.9
81.06625	1.9
81.07054	11.3
83.04976	1.7
83.08633	1.9
83.33138	1.4
85.06547	13.8
91.05482	4.9
93.07046	12.4
95.04961	4.3
95.08611	20.0
97.06544	13.4
99.04462	4.3
100.11267	2.3
105.07030	11.3
107.08601	27.3
109.06516	7.6
109.10177	2.2
111.08055	2.0
113.06004	4.3
117.07009	2.4
119.08617	3.0
121.06526	5.3
121.10156	9.8
123.08082	10.6
125.06031	2.2
125.09586	2.0
131.08559	1.9
135.08028	1.2
135.11690	4.7
137.09618	1.4
139.11201	1.3
142.58720	1.3
145.10089	6.7
148.82884	1.2
149.09622	3.1
151.07579	10.9
163.11192	23.7
167.07027	2.8
167.10619	6.6
169.08614	100.0
181.12222	10.3
191.10721	8.5
209.11772	5.4
227.10837	1.6
227.12663	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.7
53.03934	2.9
55.01875	28.2
55.05515	12.5
57.03426	2.9
57.07069	4.1
59.05000	1.7
67.05506	15.5
69.03416	5.0
69.07071	19.0
70.49953	5.5
71.04994	10.9
78.18552	1.4
79.05504	14.6
81.03413	1.8
81.07063	20.0
83.04963	3.3
83.08621	4.6
85.06553	15.7
86.09682	4.6
91.05489	8.7
92.27213	1.7
93.07051	21.4
95.04982	8.2
95.08617	24.8
97.02890	2.7
97.06535	16.7
97.10149	3.5
99.04456	10.1
99.08069	2.4
100.11256	4.8
104.96772	1.9
105.07034	16.2
107.04956	3.5
107.08603	40.8
109.06513	10.9
109.10156	4.7
111.04487	1.9
111.08089	2.9
113.06020	4.0
117.07027	3.5
119.08567	6.8
121.06551	10.7
121.10157	18.9
123.08051	14.2
123.11690	2.5
125.05978	3.1
125.09630	5.6
127.07584	1.8
131.08557	2.4
133.10138	3.3
135.04318	1.7
135.08012	2.9
135.11699	10.1
138.88165	1.5
139.07487	1.8
139.11189	4.0
145.10100	11.3
147.11729	2.1
149.09625	3.6
151.07542	10.9
153.09212	2.5
153.12727	3.0
157.10112	1.7
163.11186	32.6
163.14775	1.7
167.07071	7.9
167.10695	8.1
169.08612	100.0
173.09602	3.3
173.13144	2.3
181.12221	14.9
185.07068	3.7
191.10669	12.4
191.14240	2.7
209.11717	8.6
209.15396	5.1
227.06973	2.3
227.12650	18.4
227.16254	3.7
227.18005	2.5
246.04324	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03943	3.8
55.01875	32.6
55.05515	18.8
57.03431	19.8
57.07067	8.9
65.03944	3.8
67.05508	45.8
69.03432	13.5
69.07073	30.9
69.49538	19.4
70.06573	3.4
71.04991	31.0
78.86093	2.5
79.05502	47.8
81.03419	5.7
81.07061	31.4
83.04985	17.9
83.08626	7.8
84.08165	5.3
85.02931	3.0
85.06553	100.0
86.09711	28.9
87.04475	2.7
91.05485	25.7
93.07043	54.5
95.04978	17.3
95.08611	32.1
97.04018	3.2
97.06524	25.5
97.10169	3.9
98.21406	5.4
99.04462	29.2
99.08103	8.5
100.11274	24.5
103.00642	2.9
103.05428	5.7
105.07034	38.2
107.04948	16.5
107.08601	69.6
109.02897	2.8
109.06534	18.4
109.10165	11.5
111.04446	11.2
111.08106	4.1
113.05995	5.7
117.07021	10.9
119.08613	24.3
121.06516	26.0
121.10145	38.8
123.04436	8.9
123.08079	21.8
123.11662	3.3
125.06021	4.9
125.08839	3.6
125.09619	14.3
128.06190	3.3
129.07021	4.8
130.07791	3.3
131.04939	5.3
131.08586	55.1
132.08075	6.7
133.10194	14.3
135.08072	11.8
135.11713	10.5
137.05963	9.1
137.09613	10.7
139.07558	6.5
139.11118	3.2
140.04659	5.0
143.08502	3.1
145.01666	3.7
145.10130	36.0
147.08087	6.1
147.11673	12.4
149.05981	10.4
149.09633	60.5
149.13261	8.5
151.07520	14.2
151.11171	7.6
153.05473	4.3
153.09100	7.7
155.07089	7.1
159.09213	6.0
160.56042	2.8
163.02722	5.1
163.07552	4.4
163.11206	43.1
163.14822	5.7
165.09100	8.4
167.07062	63.3
167.10706	41.1
169.08609	93.5
171.11626	3.8
173.09644	8.5
173.13280	5.4
176.07918	2.6
177.05438	19.3
181.05011	6.3
181.12210	12.3
185.07098	7.1
189.12778	9.3
191.07040	3.2
191.10674	62.2
191.14302	7.2
194.11011	2.7
209.08110	8.0
209.11731	59.8
209.15213	5.9
227.06723	4.4
227.08604	4.7
227.12698	41.1
227.16306	6.3
227.17867	4.3
248.55022	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	227.1278
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.67226	1.7
53.03941	1.9
55.01873	10.3
55.05518	19.1
57.03428	5.0
57.07076	2.2
58.03373	1.5
59.05000	2.0
63.20283	1.5
67.05505	18.2
68.99796	10.2
69.03423	4.5
69.07069	9.9
70.62827	5.2
71.04999	4.3
73.48753	1.4
79.05496	10.8
81.07060	23.8
83.04986	23.5
83.08627	29.5
85.02893	2.0
85.06539	4.4
85.10194	4.7
86.09696	4.5
91.05479	28.9
93.07043	21.2
95.04974	28.4
95.08617	8.1
97.06523	6.1
97.10139	2.0
99.04459	3.8
99.08067	2.4
100.11253	4.0
101.02386	9.5
105.07031	6.9
107.04983	2.3
107.08595	49.6
109.06520	27.4
109.10152	16.2
111.04448	48.2
111.08083	100.0
117.07016	3.1
119.03401	4.5
119.08578	2.5
121.06496	1.8
121.10167	10.0
125.09631	14.1
127.07523	2.1
131.08562	6.2
135.08052	13.5
135.11674	9.8
137.05980	12.4
141.09113	2.4
145.10098	7.9
147.11711	2.7
149.09586	10.9
151.07562	5.7
153.09106	49.6
153.12758	16.9
155.07050	5.1
155.08363	1.6
157.10132	2.0
163.11169	21.9
167.07048	12.7
167.10680	6.2
169.08614	80.3
171.11720	2.0
173.09637	5.2
177.05513	2.6
177.09068	3.5
181.12234	23.5
182.76944	1.5
185.11729	21.9
191.10664	15.9
195.10184	59.9
209.11729	5.9
227.06903	3.5
227.10648	2.3
227.12572	12.7
227.17691	6.9
229.02036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
52.94627	0.7
53.03931	2.6
54.81639	0.6
55.01875	5.8
55.05272	1.0
55.05513	11.2
57.03435	2.4
57.07065	0.7
65.03931	1.1
67.05506	14.3
69.03425	1.6
69.07073	6.6
69.44705	5.6
71.04980	2.6
73.02901	1.6
79.05494	22.4
81.03413	2.1
81.07065	19.4
83.04976	3.3
83.08623	9.7
84.10251	0.6
91.05477	7.4
93.07046	33.3
95.04964	6.1
95.08610	38.0
97.02868	3.5
97.06528	2.8
97.10197	0.9
99.04454	4.0
99.71292	0.8
100.11266	1.0
103.05444	0.9
105.07038	6.3
107.04967	9.1
107.08598	25.6
109.06525	1.6
109.10159	1.9
111.04438	1.5
111.08063	1.2
113.05986	1.2
117.07024	9.0
119.08584	9.7
121.05645	1.0
121.06499	6.6
121.10148	10.4
125.06025	3.8
130.07774	2.2
131.08563	0.9
133.10107	2.1
135.08075	1.5
135.11693	46.1
139.07507	1.2
143.08537	2.0
145.10127	25.7
159.04160	0.7
163.11185	64.8
167.07033	1.8
173.09525	1.2
181.12247	18.0
200.40144	0.7
209.11771	1.6
227.12782	100.0
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	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03947	1.5
55.01875	26.7
55.05523	9.8
57.03430	8.0
57.07058	4.5
57.43922	1.0
67.05512	20.4
69.03413	6.1
69.06728	1.9
69.07075	21.3
69.41084	9.1
71.05001	21.3
73.02898	1.4
79.05082	1.4
79.05499	20.2
81.03403	1.4
81.07069	21.4
83.04965	5.0
83.08640	9.6
84.08152	1.6
85.06555	15.4
85.26204	1.2
91.05482	10.6
93.06496	1.7
93.07055	26.7
95.04976	15.4
95.08623	35.8
97.05932	1.5
97.06540	20.6
97.10146	1.8
99.04468	9.1
99.08071	3.6
100.11256	8.9
100.22477	1.2
101.02393	1.9
105.07034	16.0
107.04959	4.2
107.08606	57.9
109.06520	12.9
109.10156	7.4
111.04453	2.3
111.08096	13.5
113.06009	6.7
113.27129	1.2
117.07024	4.4
119.08588	10.2
120.15927	1.4
121.06517	9.3
121.10162	21.0
123.08070	13.8
123.11700	1.8
125.06009	3.1
125.09618	3.2
127.07586	2.7
131.08577	5.3
133.06534	2.0
133.10181	6.7
135.08055	3.4
135.11707	23.3
137.05969	2.6
137.09645	2.0
139.07484	1.6
139.11162	4.3
145.10135	16.3
147.11707	2.9
149.09601	5.3
149.13252	5.2
151.07547	12.2
153.09132	8.7
153.12753	2.1
155.07039	1.8
163.09868	2.5
163.11192	41.6
163.14818	3.9
167.07074	12.1
167.10689	7.9
169.08623	100.0
173.09656	3.7
173.13297	5.5
177.05438	2.3
181.12260	15.4
185.07019	1.3
185.11761	3.0
191.10695	8.0
191.14352	9.3
195.10220	6.6
204.44044	1.5
209.11823	7.4
209.15349	8.8
212.79251	1.2
227.07098	4.0
227.10609	1.7
227.12749	32.8
227.16254	2.9
227.18040	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01864	7.0
55.05521	10.2
56.05031	4.4
56.96570	55.8
57.03427	6.0
57.07058	3.5
59.04997	3.9
61.02927	10.2
65.03928	3.1
67.05492	5.8
69.03433	17.5
69.06734	2.0
69.07069	26.3
69.97732	7.3
70.06597	70.5
70.98129	15.9
71.01343	4.9
71.04989	6.1
71.95282	2.1
72.08133	3.7
72.93793	2.1
73.02930	12.6
73.06554	9.1
74.97594	1.8
76.57811	1.6
79.05479	6.3
81.03419	9.0
81.07047	5.9
83.04980	4.2
83.06093	2.1
83.08604	6.7
84.04512	85.9
84.08145	11.9
84.96038	6.4
85.02913	19.0
85.06533	4.1
86.09690	3.9
87.04478	3.3
88.99142	5.5
91.05514	8.5
92.03114	2.4
93.07047	7.4
95.04959	7.0
95.06065	5.3
95.08584	3.1
97.02890	18.8
97.06515	5.0
97.10169	2.2
98.01295	2.9
98.97594	77.8
99.04462	6.0
100.11257	6.5
101.00771	2.6
101.02404	3.2
101.32681	1.7
103.03935	4.6
103.05446	5.4
105.06995	4.2
107.02573	1.8
107.04976	4.0
107.08579	6.9
109.02884	3.7
109.06459	3.8
109.10155	2.1
110.01297	9.0
110.03111	4.1
110.06020	2.7
110.07137	6.3
110.97595	12.2
111.04456	2.9
111.05553	4.5
112.01007	3.6
112.08750	2.5
112.99157	2.6
113.06068	2.5
113.96380	3.2
115.00729	2.2
116.01261	2.2
116.07101	100.0
116.98609	21.9
118.01006	2.8
119.01844	12.6
119.03637	3.7
119.04935	1.8
119.08603	2.4
120.08070	4.6
121.01581	3.1
121.06538	8.8
121.10143	5.3
122.03629	3.8
123.04408	6.9
123.08142	2.3
124.00932	2.7
127.01553	2.6
127.03914	6.6
128.02322	13.5
128.98633	12.0
129.10252	2.8
130.04971	2.6
131.00165	2.4
131.04918	6.0
133.01602	2.5
134.52751	1.6
134.99657	5.7
135.11685	3.0
136.07526	2.7
137.02792	2.8
137.05986	38.5
138.06316	3.6
139.01544	2.5
139.07565	3.0
140.02251	2.4
140.04720	2.0
140.98589	3.3
141.99261	2.4
143.00143	5.3
143.01740	2.0
144.98128	2.4
145.01611	4.7
145.05057	1.6
145.10130	2.9
146.04150	15.0
146.54222	3.0
146.99696	16.8
147.01398	2.5
147.03276	14.5
147.04292	2.6
147.05724	3.1
149.05962	10.8
149.09622	3.7
151.07571	3.0
153.04964	3.4
153.09097	4.8
154.02013	5.6
155.04662	96.6
155.54839	17.7
156.01845	2.1
156.04871	2.6
158.99669	30.1
160.00011	2.3
160.44473	1.7
161.01260	3.6
161.02827	5.4
162.05449	35.9
162.55621	3.3
163.02679	3.0
163.03934	6.4
163.07513	2.1
163.11122	2.5
164.05237	11.5
164.55225	1.9
165.00713	10.1
165.04303	8.9
166.06154	2.0
166.55467	4.3
167.04738	2.0
167.07057	37.5
170.99684	4.4
171.01480	1.9
171.06003	10.8
173.01225	1.7
173.02873	1.8
173.13260	1.7
173.56332	2.3
175.02596	4.3
176.05048	1.9
177.00755	19.0
177.05501	16.8
178.01065	2.1
181.00069	1.8
181.09756	10.4
181.13390	3.4
181.52782	1.9
182.03302	3.9
184.03088	2.6
185.01390	2.5
185.02971	3.3
186.98993	1.7
189.00676	4.5
189.04361	2.8
191.03836	2.0
191.07144	1.9
191.10692	2.5
191.14426	1.6
195.01863	1.7
195.05956	2.2
197.05742	4.7
199.11359	1.6
201.00685	2.8
201.04446	2.4
203.02234	4.6
205.00211	6.8
209.09535	8.2
215.06427	11.7
217.00087	2.0
218.02744	3.0
219.01733	8.7
220.99724	2.1
223.01237	5.3
224.06995	6.1
227.06859	35.7
227.10265	37.4
227.13980	4.9
227.15857	4.0
227.17767	3.8
228.17049	4.5
231.01645	1.9
237.02791	11.3
247.01286	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05520	6.4
57.07077	5.5
59.05003	4.7
67.05508	22.6
69.03439	2.7
69.07072	3.2
71.04993	1.6
71.09621	2.5
79.05506	4.4
81.07053	6.4
83.04983	5.1
83.08629	1.4
85.02916	2.4
85.06544	12.3
86.10513	1.2
91.05492	4.1
92.57614	1.2
93.07039	9.0
95.04974	5.2
95.08614	100.0
97.06531	5.2
97.10197	1.6
99.04465	4.2
105.03407	1.4
105.07051	7.5
106.41597	1.4
107.08612	9.8
107.59959	1.2
109.06532	7.0
109.10166	4.4
111.08067	1.4
113.06003	8.8
119.08588	15.1
121.06538	1.7
121.10175	8.3
123.08073	37.3
123.11713	3.9
125.06009	4.7
125.72271	1.2
131.08569	1.4
133.10167	3.7
135.11681	11.0
136.33743	1.3
137.09619	1.9
140.30963	1.2
141.09117	5.5
145.10176	1.5
147.08073	2.6
147.11691	5.6
149.09628	20.6
151.07556	3.4
151.14816	3.1
161.13283	8.2
163.11214	7.4
165.12769	4.9
167.10686	2.2
174.10457	1.4
179.14352	2.6
181.12206	3.1
189.12682	6.1
207.13860	14.9
225.03954	2.1
225.14841	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	227.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
55.05509	2.0
56.96569	15.3
57.03440	16.8
57.07068	1.3
58.99866	2.2
61.02930	100.0
67.05516	1.6
68.98290	2.0
69.03435	9.1
69.07072	1.9
69.79730	5.8
70.06574	2.0
70.98124	2.2
70.99846	3.1
71.01341	1.2
71.05001	1.5
72.55098	1.1
73.01432	3.1
73.02917	9.0
77.00907	1.7
79.57222	1.3
81.03419	2.0
82.01458	2.5
82.99866	2.2
84.08142	3.9
85.01443	1.6
85.02910	14.8
86.99339	3.0
87.00851	3.7
89.00909	3.0
91.02455	3.3
95.01328	1.7
96.01604	2.4
97.02921	5.5
98.97578	11.1
99.04472	1.6
100.02499	5.0
101.00894	23.5
103.00697	1.4
103.02473	1.8
110.02140	3.0
110.07155	8.5
110.97575	4.6
112.01906	2.4
113.00869	5.6
113.01657	2.1
113.02362	12.0
115.02431	8.8
116.98619	3.7
117.01821	1.8
118.03526	1.5
119.01921	36.7
119.02728	2.5
120.02077	2.9
121.01665	4.8
124.01833	1.9
124.95510	1.7
124.99176	1.3
125.02721	1.7
125.09672	1.3
126.98775	9.1
127.02437	2.7
127.03919	4.5
128.02304	5.0
128.98598	3.4
129.04018	1.9
130.01949	2.0
131.01889	11.8
133.01546	2.4
133.02399	6.9
133.03474	14.7
133.52461	1.5
135.01221	1.6
137.02873	6.3
137.05992	13.9
139.01509	1.8
139.02429	6.4
140.00322	1.8
140.03107	1.4
141.00293	1.9
142.02881	11.2
143.00095	1.8
143.01909	5.4
144.01624	2.5
144.99835	31.1
145.03455	9.3
146.00040	1.6
146.01324	2.7
146.99623	2.6
147.01384	3.2
147.03044	1.6
147.05063	3.3
148.02940	9.1
149.02962	8.8
151.04628	1.8
153.02167	4.1
154.98317	1.6
155.52876	1.2
156.01851	2.2
156.07690	1.5
157.03493	8.6
158.01295	6.0
158.99678	2.7
159.01419	9.2
161.02965	10.8
162.02808	2.7
163.00873	2.3
163.02672	1.8
163.03955	1.3
165.00719	1.6
167.01909	21.5
167.07112	2.5
168.01503	2.1
168.99800	6.0
169.03499	1.4
170.99635	2.6
171.01424	4.8
172.99338	12.7
173.02980	7.6
174.02716	6.7
174.99356	1.5
175.00972	3.1
175.02582	2.1
175.04553	3.0
176.02440	7.2
177.00868	2.8
177.02438	17.4
178.52710	2.0
179.02080	1.9
181.03616	1.7
183.03242	3.2
185.02957	17.2
187.00908	16.5
187.04558	4.0
188.02505	6.4
189.00858	2.2
189.02473	8.4
190.02440	1.8
191.00397	5.5
191.02211	1.7
191.04085	3.5
192.02693	1.3
195.03455	3.4
196.00957	8.9
196.99318	2.0
197.03119	6.9
198.02824	2.2
199.00894	2.7
201.00751	2.1
201.02495	5.5
203.04088	6.8
204.04132	1.2
205.01961	14.4
206.02568	5.8
207.01741	1.5
207.03542	3.2
209.03055	2.5
212.98863	4.5
213.02544	1.5
214.01991	3.6
215.00468	6.6
215.03282	5.5
215.06468	3.2
217.01978	4.8
217.05585	1.4
219.03564	6.5
221.05247	1.9
223.02969	4.6
224.07100	3.1
227.00359	6.0
227.03969	7.4
228.03610	3.8
229.02034	3.2
230.99823	3.1
237.02737	3.2
243.03517	1.7
245.01428	6.3
245.05057	4.9
247.00877	1.5
247.03014	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.89011	2.9
53.03936	8.9
54.69120	2.8
55.05511	31.7
57.03441	3.8
57.07072	9.8
65.03940	3.3
67.05509	54.9
69.07079	15.6
71.05006	3.8
71.12420	5.3
71.52257	2.9
73.06557	5.5
79.05495	85.1
81.03410	8.1
81.07058	47.8
83.04989	34.4
83.08611	8.7
85.02929	5.3
85.06544	7.7
86.27396	3.2
87.04440	4.2
89.20235	2.9
91.05485	57.0
93.07045	100.0
95.04974	23.7
95.08618	26.2
97.06530	7.9
97.10148	4.3
99.04452	7.3
101.95036	44.0
105.03396	7.5
105.07043	46.4
107.04977	5.0
107.08585	28.1
109.06531	12.1
109.10138	5.9
117.07030	7.4
119.08573	19.4
119.96078	12.4
121.06506	3.6
121.10144	8.7
123.08074	11.5
123.11720	5.0
125.09570	4.1
126.29688	2.9
129.07018	20.0
133.10126	11.2
137.09673	4.2
137.97119	5.9
142.97633	6.2
143.08572	11.9
145.10135	15.7
147.08040	4.1
147.11682	57.6
149.09578	5.0
155.08508	3.2
160.98706	17.9
161.09650	9.5
161.13286	16.2
171.11697	29.5
178.99762	7.0
179.14301	6.0
189.12732	13.5
207.13794	26.5
214.76385	3.3
225.09088	5.4
225.14784	57.7
225.19664	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.93068	1.9
53.03948	4.1
55.01870	3.7
55.05497	6.7
56.96559	5.3
57.03438	3.8
57.07073	3.6
57.15906	2.1
59.04987	8.9
64.50809	2.3
65.03904	2.7
65.06940	2.0
67.05511	19.8
69.03438	29.5
69.07070	18.1
70.90344	5.5
71.04990	10.8
72.07983	1.9
79.05496	29.8
81.07059	32.9
83.04977	36.8
83.08603	9.0
85.02898	7.6
87.04420	4.1
90.75812	2.3
91.05487	17.6
93.07049	23.3
95.04955	13.5
95.08610	32.0
97.02896	5.2
97.06527	30.9
98.97594	2.3
99.04441	3.8
101.06023	13.9
105.03389	3.9
105.07034	33.9
107.04948	11.0
107.08594	100.0
109.06541	24.8
109.10159	31.4
111.04424	4.3
111.08085	10.3
117.07007	3.7
119.04922	5.4
119.08588	24.9
121.06528	19.9
121.10149	51.7
122.07285	12.4
123.04427	5.0
123.08069	51.0
123.11745	10.0
125.06011	14.1
125.09706	2.8
127.07551	3.2
130.07784	5.2
131.08565	3.1
133.06468	6.7
133.10143	8.9
135.08031	5.2
135.11722	16.6
137.06023	3.3
137.09622	75.7
137.13264	4.1
139.11169	3.9
143.08562	6.5
145.10138	40.1
147.04295	2.2
147.07994	4.8
147.11688	13.5
149.09596	12.4
151.07613	10.8
151.11176	70.2
156.09346	6.1
159.11719	2.9
161.09583	5.6
161.13248	19.5
163.11180	55.9
165.09235	2.8
165.12735	4.9
167.10634	6.4
169.08505	2.7
171.11674	7.3
174.10463	2.3
179.14307	8.3
181.12221	27.1
189.12782	23.1
192.53746	5.3
207.06577	3.4
207.13792	46.8
225.07500	4.1
225.14836	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01863	0.8
55.05503	3.3
55.97953	0.8
57.03448	1.7
57.07076	1.2
59.04995	1.3
67.05500	5.8
69.03421	3.0
69.07065	2.6
70.68634	2.7
70.94428	0.8
71.04983	1.9
79.05485	3.9
81.07056	7.9
83.04984	30.0
83.08627	1.3
83.85898	0.9
85.02922	1.1
85.06532	3.9
91.05489	3.1
93.07055	5.2
95.04953	3.6
95.08605	8.6
97.06544	2.6
99.04457	2.0
99.08097	8.9
99.45727	0.9
101.06025	1.0
105.07052	6.0
107.08601	12.8
109.06519	31.4
109.07269	1.6
109.10172	3.4
111.04450	16.7
111.08054	1.6
119.08575	7.2
119.26221	0.9
121.06487	3.6
121.10119	7.7
121.71975	0.9
123.08066	100.0
123.11686	2.0
125.06031	2.0
125.09656	7.1
127.07566	2.9
133.10164	1.8
135.08026	1.2
135.11682	3.2
137.09604	6.6
137.13245	0.9
139.11224	1.2
141.09175	1.2
145.10127	3.2
146.82117	0.8
147.11703	4.4
149.09608	8.0
151.07550	3.4
151.11205	6.9
161.13248	2.9
163.11188	4.3
165.12766	4.8
167.10675	8.3
169.08588	1.7
171.11632	1.8
178.61163	0.9
179.14343	1.4
181.12267	2.5
189.12766	3.4
197.90120	1.0
207.13809	13.4
216.66544	0.9
225.14841	14.3
238.50513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03967	0.7
53.48532	0.7
55.05513	5.9
57.03426	1.8
57.07080	3.1
59.05007	1.6
67.05502	3.0
69.03452	1.2
69.07069	5.0
70.66257	1.9
70.66611	0.7
71.01346	1.5
71.04996	37.8
79.05505	5.2
81.03413	2.2
81.07063	8.8
83.04991	4.0
83.05403	0.7
83.08623	7.8
85.02911	1.8
85.06535	1.8
91.05472	5.1
93.07061	4.1
95.04961	2.1
95.08608	10.0
97.05937	0.9
97.06542	15.3
97.10144	0.7
99.04459	100.0
99.08094	0.8
101.95041	1.3
105.07058	5.2
107.04999	0.8
107.08600	36.3
109.06525	25.4
109.07281	1.4
109.10139	2.1
111.08066	1.8
111.11723	1.9
111.34512	0.6
113.09646	5.4
117.07030	0.7
119.08595	3.9
121.06503	1.6
121.10155	14.9
123.08071	19.3
123.11707	19.6
125.05970	1.2
125.09635	8.1
127.07539	1.4
131.08574	2.4
133.10149	2.1
135.11697	1.0
137.06024	1.1
137.09631	1.5
137.13249	2.6
139.07541	0.9
139.11203	4.3
141.12753	2.1
145.10185	0.9
147.08086	0.8
147.11691	8.3
149.09645	11.1
151.07567	1.2
155.10666	1.1
161.09671	1.3
161.13264	2.2
165.09068	1.0
165.12753	15.0
167.10689	30.6
171.11632	1.0
175.03877	1.3
179.14316	2.3
183.13821	41.7
189.12753	4.1
207.06505	1.6
207.13814	11.1
225.09018	1.2
225.14839	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03940	5.4
55.01868	7.0
55.05516	15.4
56.96571	4.1
57.03440	93.5
67.05183	3.6
67.05508	40.8
69.03422	11.6
69.07075	25.5
69.65216	18.2
71.04996	77.4
79.05495	46.5
81.03448	4.5
81.07065	49.1
83.04984	23.7
83.08626	6.8
85.06548	11.0
91.05486	74.6
91.51733	3.2
93.07044	100.0
95.04980	22.6
95.08604	45.6
97.06533	29.2
98.20774	6.6
99.04450	9.6
99.08105	23.6
103.05457	3.3
105.07040	60.9
107.04969	19.3
107.08595	70.7
109.06517	80.7
109.10160	32.9
111.04427	14.6
111.08073	21.0
113.05992	6.9
113.09658	6.1
115.07571	7.4
115.25410	2.7
117.07029	22.9
119.04958	2.8
119.06048	2.9
119.08584	41.1
121.06517	34.9
121.10139	11.1
123.08071	53.4
123.11700	9.7
125.05982	4.7
125.09658	5.1
127.07529	3.8
128.91429	3.3
129.07039	5.8
131.08546	10.0
133.06503	17.5
133.10130	45.2
135.08078	36.8
135.11700	5.0
137.05966	5.8
137.09627	27.2
139.07549	3.5
143.08537	8.5
145.10146	12.5
147.08041	13.2
147.11694	32.0
149.09598	10.3
151.11201	37.3
161.09624	3.9
161.13277	36.0
163.11232	6.0
163.14778	4.3
165.12762	10.9
167.10654	5.2
171.11725	7.7
179.14368	16.2
181.12239	4.2
189.12773	33.9
207.06543	7.1
207.13799	56.2
225.09149	5.2
225.14830	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	4.9
55.01873	10.1
55.05505	20.5
56.96562	7.7
57.03443	100.0
59.04996	3.6
67.05511	49.5
68.78859	4.1
69.03435	16.2
69.07066	28.4
69.65602	18.7
71.05000	62.9
74.10954	4.4
79.05495	54.2
81.07053	47.4
83.04982	14.0
83.08629	11.0
85.02909	6.3
85.06537	12.7
91.05487	86.3
92.49693	3.1
93.07047	95.7
95.04988	22.7
95.08613	51.7
97.06516	32.5
98.97593	4.7
99.04449	11.0
99.08093	17.8
101.95063	6.5
105.03392	5.9
105.07040	66.1
107.04993	23.6
107.08601	67.4
109.06524	70.4
109.10162	39.1
111.04443	9.5
111.08111	22.4
113.09644	5.2
115.07575	7.2
117.06996	18.1
119.04967	13.9
119.08601	46.2
121.06518	36.3
121.10150	11.3
123.08087	29.9
123.11710	12.5
125.06009	5.0
125.09622	6.0
128.06241	5.0
129.06992	10.6
131.08557	9.7
133.06503	15.2
133.10139	55.7
135.08075	50.4
135.11662	4.4
137.06017	4.9
137.09622	31.4
143.08594	9.6
145.10150	10.4
147.04465	8.8
147.08064	11.1
147.11700	44.4
149.09618	12.3
151.11188	36.1
161.09650	3.9
161.13268	36.6
163.11197	7.4
165.05574	3.4
165.09099	5.3
165.12798	10.9
167.10664	4.1
171.11688	10.0
175.03932	15.0
179.10695	6.4
179.14272	10.3
189.12752	43.3
192.04225	4.7
207.06558	30.0
207.13800	68.9
225.09157	5.2
225.14818	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.66195	0.7
55.05511	2.7
57.07078	2.0
67.05521	4.8
69.03436	1.2
69.07080	1.0
71.04996	2.1
75.16509	0.8
79.05482	2.3
81.03465	0.7
81.07058	20.9
82.99448	0.7
83.04974	2.2
85.02911	100.0
91.05488	9.7
93.07047	3.6
95.04970	3.0
95.08619	6.1
97.06566	1.5
99.04467	2.0
105.03412	1.5
105.07044	4.8
107.08607	5.3
109.06516	1.4
109.10162	12.2
117.07010	1.0
118.04125	0.9
119.04938	9.2
119.08598	4.9
121.06534	1.0
121.10150	7.9
123.04499	1.1
123.08086	3.2
123.11715	75.8
125.05997	8.2
125.09641	1.2
131.08604	1.9
132.02069	1.8
133.06403	0.9
133.10136	0.9
135.11691	0.9
139.07558	1.0
143.01936	1.0
143.08566	0.9
143.92276	0.7
145.10062	1.3
147.04427	7.4
147.08054	2.7
147.11700	2.6
149.09637	8.7
151.07596	2.1
156.09428	1.0
161.09616	0.8
163.11230	3.1
164.04710	0.8
165.05484	1.6
165.09171	1.1
165.12749	1.4
167.10739	1.0
169.08598	1.6
175.03938	11.0
179.07068	1.5
179.14343	1.5
181.12257	1.5
189.12787	5.8
192.04198	4.0
207.06552	14.6
207.13838	22.8
225.14853	7.9
231.65752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.28146	0.6
55.05506	2.2
57.03435	0.6
57.07068	0.6
59.04988	0.7
60.89920	0.5
67.05505	4.4
69.03420	2.7
69.07072	1.3
71.04987	1.8
71.73514	0.5
79.05495	3.0
80.87720	0.5
81.03411	0.7
81.07072	3.9
83.04990	9.3
83.08605	0.9
85.06558	1.4
87.04475	0.6
91.05482	2.2
93.07056	4.7
95.04992	4.2
95.08613	8.6
97.06534	3.1
99.04468	0.7
99.08111	1.2
101.06043	1.4
105.07040	3.7
107.04978	0.9
107.08607	7.8
109.06519	11.4
109.10175	2.5
111.04436	3.6
111.08094	1.1
119.08611	4.9
121.06519	4.2
121.10144	10.1
123.08075	100.0
123.11672	1.9
125.09646	1.7
127.07569	1.3
133.10135	2.0
135.08029	1.1
135.11710	2.0
137.09648	3.9
139.07446	0.6
141.09096	0.7
145.10164	2.6
147.08055	1.0
147.11705	3.8
149.09639	8.3
151.07544	1.4
151.11192	6.8
156.09299	0.6
160.08879	1.0
161.09671	0.9
161.13235	2.2
163.11162	6.9
163.52704	0.6
165.09114	1.2
165.12769	2.1
167.10678	5.9
171.11638	1.5
174.10452	1.0
179.14270	0.8
181.12247	2.3
189.12743	3.3
207.13812	7.4
225.03951	3.0
225.14908	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.50639	2.3
53.03950	4.0
55.01875	4.3
55.05521	13.3
56.93788	2.4
56.96571	3.2
57.03447	2.9
57.07080	6.7
59.04993	3.7
67.05508	33.4
69.03436	100.0
69.07074	19.0
69.52596	8.7
69.53022	7.0
71.04993	12.6
75.45895	2.1
79.05495	25.8
81.03416	7.3
81.07062	47.0
83.04990	19.3
83.08649	11.2
84.08131	6.6
85.02905	24.3
85.06554	4.9
91.05478	26.1
93.07050	31.3
95.04965	20.7
95.08616	33.5
96.08179	2.2
97.02903	5.2
97.06535	14.7
99.04463	24.7
101.95037	5.6
103.05447	3.2
105.03386	7.7
105.07038	58.5
107.04984	3.7
107.08604	41.5
109.06528	43.9
109.10185	23.2
111.04411	6.7
111.08084	10.3
113.05997	2.4
117.07053	4.2
118.92286	2.1
119.04958	6.7
119.08594	40.4
121.06529	12.7
121.10153	47.1
122.07330	8.2
123.04446	16.0
123.08086	36.2
123.11708	21.6
125.06020	4.3
125.09632	8.5
129.06976	4.0
130.07820	2.5
131.08559	6.8
133.06523	15.4
133.10143	62.4
135.08069	10.3
135.11716	5.5
136.03842	2.1
137.06013	7.3
137.09633	67.5
139.11206	27.9
141.09129	4.5
143.08582	3.7
145.06425	2.6
145.10159	9.7
147.04413	4.2
147.08023	14.2
147.11711	42.6
149.09631	24.1
151.07538	17.0
151.11183	12.1
153.09126	2.9
156.09415	12.0
159.08125	5.1
159.11679	4.9
160.08884	2.6
161.09665	4.3
161.13269	25.1
162.12762	3.2
163.11197	19.4
165.05518	3.0
165.09090	4.2
165.12770	10.7
167.07014	3.0
167.10699	9.0
169.08708	3.3
171.11703	15.7
174.10446	11.7
175.03911	8.6
177.12776	3.5
179.07077	2.4
179.10751	3.1
179.14360	8.1
181.12312	4.6
183.13843	4.8
189.12766	42.7
192.04198	2.3
207.06566	8.6
207.13817	66.8
208.05811	2.2
225.09157	7.5
225.14644	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	224.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.04263	0.2
55.05515	10.4
56.96549	0.3
57.07043	0.3
58.06602	10.1
65.03940	0.4
67.05509	11.2
68.05833	0.5
69.07071	7.1
72.08144	0.6
79.05494	1.2
81.03408	0.8
81.07061	11.8
82.03750	0.4
82.07388	0.6
83.04988	0.3
83.08623	4.1
84.08150	0.3
84.17419	0.2
85.02891	0.2
91.05496	0.4
93.07047	1.0
94.07352	0.3
94.11919	0.2
95.04971	0.4
95.08612	11.6
96.08961	0.2
97.06573	0.3
97.10184	1.4
98.09680	0.5
101.95047	0.3
105.03410	0.3
105.07022	0.4
106.07365	0.3
107.08543	0.4
109.09472	0.3
109.10172	3.8
110.68936	0.2
118.07350	0.3
119.08618	0.3
120.88847	0.2
123.08105	0.2
123.11711	1.9
124.37400	0.2
132.08929	0.2
134.10442	0.2
136.11984	0.3
137.13258	0.5
142.51196	0.2
152.97975	0.2
154.15894	0.3
160.12015	0.3
206.15439	0.3
224.23740	100.0
225.24092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05516	10.9
56.96534	0.5
57.07067	0.6
58.06317	0.5
58.06604	10.9
67.05510	11.9
67.31299	0.3
68.05846	0.3
69.07073	8.6
69.81367	1.4
72.08134	0.8
79.05497	1.5
81.03413	1.2
81.07063	11.9
82.03744	0.7
82.07357	0.5
83.08630	3.4
84.08177	0.4
85.90614	0.3
87.40682	0.2
88.83844	0.3
91.05486	0.4
92.05783	0.3
93.07040	0.7
94.07397	0.4
95.04975	0.3
95.08617	11.2
97.10149	0.8
98.09659	0.4
99.04386	0.3
100.93659	0.3
101.95023	0.5
107.08545	0.4
109.10161	4.8
111.12796	0.3
121.10145	0.4
123.08064	0.4
123.11697	1.5
137.13237	1.0
149.02460	0.4
151.14935	0.3
160.12135	0.3
164.07005	0.3
178.13139	0.6
206.12589	0.7
206.15482	0.5
224.09058	0.6
224.23747	100.0
225.24101	0.6
236.03271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44753	1.9
59.58865	2.0
69.95525	9.9
74.97262	1.6
81.61723	2.0
82.99816	9.4
85.18520	1.9
98.97589	5.1
101.00883	62.5
118.20381	2.1
119.01926	100.0
124.02428	10.6
129.45261	2.1
129.48851	2.1
137.02925	12.1
142.03502	62.5
143.01846	3.0
158.99905	6.3
160.04533	12.3
161.02972	37.3
177.00974	15.2
179.04008	38.4
184.04596	7.7
201.00887	2.9
202.05614	5.2
219.01965	14.3
220.02161	2.1
243.01950	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	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
55.05501	3.4
56.96567	97.1
56.96850	5.0
57.03436	11.5
61.02923	14.5
67.05509	3.7
68.99780	3.3
69.03434	6.3
69.59009	15.6
70.06591	4.4
70.98120	37.9
70.99889	3.6
71.95264	3.1
72.08154	2.9
73.02938	11.5
80.12639	2.3
82.99865	5.5
84.01207	3.5
84.04537	2.7
84.08142	6.1
84.96035	28.3
84.99313	2.6
85.02911	12.0
86.09721	7.5
88.99174	5.5
91.55278	2.2
95.06128	2.5
97.02901	5.6
97.99190	9.9
98.20815	2.8
98.97586	56.3
99.04462	4.7
101.00884	50.0
102.02267	4.8
103.00697	2.4
105.02874	4.0
109.01362	4.3
110.02171	3.2
110.97591	8.8
111.00301	4.2
112.99169	3.3
113.00911	7.5
114.64911	2.4
115.00652	5.2
115.02474	3.9
116.00229	4.4
116.02157	4.9
116.98618	19.4
117.01921	8.2
117.02927	2.5
118.01083	3.9
119.01927	100.0
120.00817	3.0
120.02029	4.2
120.03352	2.4
122.97617	6.0
124.02477	6.6
124.95444	2.8
125.01832	3.5
125.02633	11.6
126.00771	3.0
127.03954	3.8
128.98619	9.2
130.01808	5.9
131.00127	4.3
131.01894	9.4
132.10251	3.8
133.01694	11.0
133.03433	7.4
134.02321	2.5
134.99687	5.8
136.06186	4.9
136.93115	2.7
137.02963	15.3
138.01610	5.6
139.02415	5.1
140.98618	14.7
142.03505	62.2
143.01007	3.3
143.01956	5.8
144.01736	9.3
145.03470	5.9
146.04980	4.9
146.99640	9.0
147.01270	3.9
148.02951	2.6
149.02960	3.4
151.02499	3.2
152.00365	2.6
152.01389	22.3
153.01210	5.4
155.00212	4.3
156.01918	5.2
156.03329	6.6
157.03470	6.2
158.99722	15.6
160.01712	3.1
160.03183	2.7
160.04601	11.2
161.01855	7.8
161.03003	37.3
162.01848	4.7
162.03053	2.8
164.98705	5.9
165.02200	8.2
167.01953	5.7
170.01228	4.5
172.97617	8.2
173.01285	4.5
173.02992	5.1
174.02853	7.4
174.99394	2.4
175.00891	10.1
175.05978	2.5
176.00829	2.6
177.00812	15.5
177.02530	7.6
178.02585	2.7
179.02274	10.3
179.04057	38.3
180.02661	4.5
182.99567	21.5
184.02838	8.3
184.04671	9.9
185.03059	3.2
185.04752	3.7
187.00951	3.1
189.07770	2.9
190.98648	6.1
191.04013	3.6
192.55681	7.0
193.05313	3.9
195.01723	3.8
201.00766	29.6
201.02455	5.0
202.01007	4.2
202.04015	23.4
202.05640	5.5
202.98685	4.7
203.04077	6.5
204.00395	5.0
209.12962	3.5
211.52341	4.8
215.06287	2.5
219.01860	5.7
220.99695	9.5
225.04228	4.2
243.01834	4.6
245.04771	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	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.2
56.96571	39.2
57.03438	5.0
61.02941	3.2
69.03422	9.9
70.06583	11.7
71.02907	3.4
71.03236	2.6
72.08150	8.8
73.02909	5.1
76.66098	2.7
79.05479	5.3
81.03419	4.1
81.07050	4.8
83.04981	6.7
84.04494	4.0
84.08144	15.7
85.02895	11.3
86.09706	9.6
87.04475	5.0
89.02397	3.7
91.03961	100.0
91.05487	23.0
93.07009	3.0
94.07341	2.8
94.83842	2.7
95.05001	2.9
95.06853	3.4
95.08601	3.2
96.08925	2.9
96.24454	2.9
97.02892	13.6
98.97575	8.4
99.04453	4.5
102.42781	2.7
103.05481	3.6
107.04955	3.2
109.06497	4.3
110.97527	4.2
116.98631	4.1
117.05756	6.5
119.01812	4.4
119.04930	7.4
120.08080	3.9
120.08920	4.2
121.06510	4.1
122.10493	2.8
123.08073	5.0
125.06012	3.2
128.98608	5.5
129.10216	5.6
132.04445	3.4
132.08066	3.1
134.05995	3.1
136.07544	6.5
136.08467	2.9
145.04950	3.9
146.10484	3.3
150.02661	3.9
150.09094	13.8
153.01886	3.6
162.05582	3.9
164.07088	3.8
164.11580	5.4
175.03938	4.5
178.08641	4.8
178.13156	4.4
182.04544	7.9
192.03638	45.0
193.03490	4.0
193.05072	5.3
201.00577	4.7
201.04121	17.9
203.54314	5.0
206.08131	27.6
206.12537	10.0
207.04991	10.4
207.06659	5.1
211.02740	3.6
221.01248	4.2
224.07149	3.1
224.09242	13.6
224.12897	14.6
226.04329	6.2
229.03882	5.1
239.02309	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	224.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01869	3.4
55.05521	11.1
56.05037	5.1
56.96312	1.8
56.96571	26.7
57.03440	3.8
57.07059	2.0
60.04528	13.1
67.05508	3.3
67.06992	1.6
68.99796	4.0
69.03425	5.6
69.07067	8.5
70.06605	9.2
70.15197	3.5
70.15581	3.8
70.98129	3.5
71.04982	14.5
72.08157	10.4
73.02921	5.9
73.06557	37.0
73.06932	3.1
74.06087	2.7
79.05492	8.4
81.03429	4.3
81.06670	2.0
81.07052	12.7
81.73019	1.8
83.04993	31.0
84.04505	6.1
84.08148	38.5
84.96014	2.3
85.02923	9.7
86.06084	2.3
86.09716	19.4
87.00850	2.6
87.04483	3.0
88.03994	5.7
91.05484	4.5
93.07082	1.9
95.04953	4.5
97.02898	10.5
97.06537	20.0
98.97594	14.1
99.04435	3.6
101.06033	2.1
101.10747	2.7
103.03934	2.3
105.07055	3.2
106.05021	6.3
107.04954	3.6
109.02875	2.2
109.06543	5.3
110.97549	3.6
111.04469	4.7
113.05972	2.9
115.07570	3.9
116.98660	3.4
119.01831	2.8
119.04947	2.1
119.08449	1.8
120.08092	1.8
121.06505	2.4
123.08074	1.8
125.06001	51.5
127.01545	3.1
127.03888	1.8
128.98610	4.1
129.05482	2.5
129.10220	15.4
130.08644	2.6
131.07056	31.3
132.08124	5.1
136.06178	4.1
136.07578	6.6
140.51056	3.8
143.00201	1.9
143.07034	40.3
146.99649	3.6
147.04419	2.0
149.51514	3.1
153.05469	63.0
155.04651	2.3
158.99648	2.3
161.04555	1.8
161.06767	3.6
161.08102	61.5
161.09409	4.1
162.05589	2.3
163.02480	2.4
164.07039	1.9
165.00783	2.4
171.06558	28.9
173.02884	2.1
175.06406	2.7
177.00694	3.4
178.05038	6.4
178.08592	9.8
182.99614	2.6
189.07584	100.0
201.00711	7.5
201.02448	2.4
201.04305	4.5
203.52603	6.7
206.04497	7.9
206.08185	3.3
207.08583	5.7
212.08075	3.5
212.53131	8.5
213.05238	3.4
219.01848	6.2
224.09256	4.3
224.11134	3.3
224.13017	5.5
224.17618	3.1
226.04453	5.9
236.02318	5.1
237.02840	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	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
50.98906	0.7
55.05513	1.1
56.05023	0.8
56.96553	2.1
58.06584	2.9
66.10437	0.7
67.05495	0.9
68.05014	1.1
69.03441	1.1
70.06576	2.4
71.52097	1.0
72.07763	0.9
72.08160	15.0
74.06045	0.9
75.43508	0.9
76.07651	1.0
79.05487	4.7
81.03387	1.0
82.06557	1.2
84.04481	1.4
84.08141	7.8
86.09696	3.1
91.05470	9.9
93.07030	1.2
95.04946	1.0
96.05335	0.7
98.97601	1.7
103.05472	11.3
105.03385	1.1
105.07036	34.8
107.04932	3.5
108.08124	1.0
109.06540	1.1
110.09702	6.4
112.11239	1.1
114.10274	1.0
115.05454	1.6
117.05772	1.4
117.06986	0.9
118.06560	13.1
119.04942	2.0
119.07312	1.8
120.08105	21.9
121.06474	2.2
121.08423	1.4
123.04427	0.9
123.08112	1.1
128.06241	5.0
129.10216	2.0
130.06503	3.1
130.08615	0.9
131.04933	3.8
131.07253	2.4
131.08591	1.6
132.08055	3.2
136.07568	9.1
143.08546	3.3
150.02664	1.1
158.09669	1.3
160.11218	100.0
165.05478	1.8
165.10315	1.1
176.09044	1.0
178.08856	2.1
178.12270	87.4
181.06438	0.8
182.08115	2.3
201.00696	1.3
206.08253	1.4
206.11736	15.5
207.06607	1.4
207.18575	2.2
219.05368	1.2
224.06898	1.2
224.09267	2.5
224.12823	45.7
224.21222	3.0
224.23643	1.0
226.99146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
54.69085	2.0
55.01872	5.0
55.05513	14.3
56.84847	2.0
57.03427	5.4
57.07063	3.2
59.04989	6.9
61.02917	8.3
67.05496	7.7
69.03433	15.2
69.07058	9.2
70.67899	4.7
71.04974	4.4
79.05492	12.1
81.03414	6.5
81.07044	8.9
83.04987	18.9
85.02910	18.2
85.06541	6.9
87.29233	2.2
91.05482	16.1
93.07059	39.1
95.04966	15.7
95.08611	17.0
97.06540	5.0
97.10160	9.7
101.06036	2.5
105.07037	19.1
107.04944	3.3
107.08585	21.7
109.06522	43.0
109.10162	8.5
111.08063	7.1
113.05989	12.9
117.07017	5.9
119.08583	24.8
121.06515	68.4
121.10169	19.7
122.07238	3.3
123.08045	16.2
125.09620	4.0
126.36960	2.2
130.07814	2.2
131.08566	4.9
133.10133	21.0
135.08047	39.5
135.11713	13.9
136.67798	1.9
137.06058	2.3
137.09599	17.6
139.07549	7.3
143.08585	3.2
144.09383	2.9
145.10130	22.4
147.08031	10.9
149.06018	3.6
149.09628	95.4
149.13242	6.6
151.11185	8.7
153.09128	3.8
159.11703	24.6
161.09628	26.3
163.07570	3.4
163.11183	39.0
165.09111	27.1
167.07030	4.7
172.08827	2.8
175.11197	4.0
177.12758	36.5
179.10706	25.4
181.12206	3.6
182.68773	2.0
187.11177	20.8
195.13832	3.9
205.12238	60.4
223.13306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
53.03921	1.2
55.01873	1.5
55.05511	6.8
56.96556	1.4
57.03416	1.2
57.07077	5.0
59.04991	1.5
67.05505	19.6
69.03413	3.7
69.07073	19.8
70.26139	1.9
70.26505	1.5
71.04657	0.9
71.04996	8.5
76.04411	0.8
79.05489	5.9
81.03400	2.1
81.06600	1.5
81.07059	24.2
83.04970	4.0
83.08622	6.2
85.06545	20.6
91.05487	5.9
93.07042	15.2
95.04974	5.7
95.08611	23.8
97.05936	1.1
97.06535	16.9
97.10168	1.6
98.97562	1.6
99.04454	2.6
99.08105	1.2
103.55077	1.0
105.03370	1.6
105.07030	9.2
107.04974	1.8
107.08594	15.3
109.06527	8.7
109.10161	100.0
111.08084	12.8
111.11713	7.5
113.09663	6.0
117.07014	1.7
119.08601	8.5
121.06482	4.7
121.10136	13.1
123.08107	4.2
123.11711	36.1
125.09598	1.8
127.07535	2.3
127.11209	8.6
131.08546	3.3
133.10083	3.2
133.31514	1.0
135.08081	7.0
135.11737	4.2
137.09604	4.2
139.07518	1.1
139.11195	1.9
144.09256	1.0
145.10147	5.0
147.11710	9.0
149.02342	10.2
149.05939	1.2
149.09628	8.7
149.13226	2.5
151.11179	5.5
159.11763	4.5
161.09656	1.4
161.13274	4.6
163.11203	4.2
163.14844	9.4
165.12729	3.0
167.07005	1.3
167.10675	1.2
177.00681	1.0
177.09064	1.3
177.12740	11.4
177.16351	4.8
179.10619	1.4
181.10133	1.2
187.11073	1.4
187.14850	6.2
205.08641	1.1
205.12227	9.1
205.15889	23.8
223.05927	4.9
223.11093	3.7
223.13258	7.6
223.15294	1.3
223.16899	29.7
225.04315	2.2
233.67081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	56.8
57.07076	49.0
64.95309	4.5
69.07074	100.0
71.08615	17.1
75.89699	4.9
83.08629	67.4
97.10184	50.1
110.41167	5.3
111.11735	29.0
125.13306	6.8
149.02368	52.1
149.23134	6.2
150.58495	5.4
160.45631	6.3
223.05991	6.1
223.13185	11.9
225.04262	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	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03949	3.2
55.01866	5.2
55.05516	23.9
57.03415	3.3
57.07065	5.3
59.04995	4.1
59.15271	1.5
65.03941	2.1
67.05236	1.6
67.05513	16.4
69.03435	11.9
69.07072	12.5
69.46961	3.1
69.47375	10.3
71.04984	6.5
71.08614	3.2
79.05499	21.3
81.03419	4.7
81.07062	28.9
83.04990	34.6
83.08606	6.7
85.02888	5.3
85.06544	4.0
91.05491	21.5
93.07049	80.5
95.04959	18.4
95.08613	34.4
97.02861	1.9
97.06530	8.2
98.97595	1.7
99.04445	4.5
99.08084	4.6
101.93917	1.6
103.05463	3.7
105.07045	19.9
107.04969	8.2
107.08604	57.4
109.06519	18.1
109.10169	10.8
111.04444	9.2
111.08095	17.6
111.35956	1.5
113.05994	2.3
117.07020	9.6
119.06123	2.1
119.07816	2.5
119.08588	29.1
121.06514	31.3
121.10150	27.0
123.04431	4.8
123.08079	23.0
125.05981	5.6
125.09624	6.1
131.04927	9.5
131.08540	8.6
133.06516	2.4
133.10146	13.9
135.04419	3.0
135.08089	20.6
135.11697	62.9
135.12730	3.5
137.05948	6.7
137.09622	40.8
139.03873	4.5
139.06673	1.9
139.07567	20.4
139.11310	1.6
141.05434	2.3
144.09326	4.6
145.06471	4.8
145.10141	14.3
147.08069	9.9
147.11771	2.0
149.02335	11.7
149.06004	17.0
149.09608	7.2
149.13275	17.9
153.05478	11.4
153.09084	2.8
153.12703	2.8
159.11714	27.9
161.09544	5.6
161.13240	3.9
163.03937	1.8
163.07547	17.0
163.11191	42.6
165.06944	1.7
165.09125	5.4
167.07027	8.8
167.08542	7.8
172.08835	3.2
177.09113	2.4
177.12758	91.5
179.10620	2.3
179.14328	3.3
181.08611	38.1
181.12192	7.0
187.11192	7.4
195.08087	8.4
195.13797	22.5
205.12254	58.9
223.05911	4.7
223.07857	9.0
223.09634	3.9
223.11394	3.7
223.13278	100.0
223.16902	6.8
225.04332	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03949	4.5
53.05652	1.6
55.01866	5.1
55.05515	14.1
57.03425	5.3
59.04993	8.3
61.02910	3.9
67.05493	7.1
68.99789	2.3
69.03435	14.3
69.07054	7.6
71.04993	4.6
71.05597	4.4
79.05485	8.4
81.03406	6.0
81.07069	10.6
83.01321	3.2
83.04984	20.7
85.02913	19.8
85.06541	7.7
91.05471	19.3
93.07046	42.0
95.04964	15.5
95.08614	16.6
97.10164	11.8
99.04453	3.6
101.06011	2.3
105.07028	17.4
105.93095	1.8
107.04965	3.2
107.08595	21.0
109.02940	2.1
109.06516	38.3
109.10153	6.9
111.08091	9.6
113.06012	11.6
115.05426	2.7
117.07011	4.1
119.08588	25.0
121.06510	73.6
121.07396	4.3
121.09364	2.0
121.10154	22.6
123.04451	3.0
123.08059	17.7
124.03562	2.5
125.06001	2.0
125.09634	3.1
127.07523	3.2
128.06242	3.4
129.07007	3.8
130.07762	3.4
131.08565	6.9
133.10114	19.6
135.08055	32.8
135.11691	15.8
137.09601	18.8
139.07558	8.0
143.08597	4.1
144.09338	3.9
145.06514	2.2
145.10130	19.8
146.07248	4.3
147.08070	8.0
149.05956	5.4
149.09625	92.7
149.13190	2.6
151.11168	10.1
153.09059	4.8
159.11690	25.9
161.09644	23.1
163.11179	32.6
165.09134	31.1
165.10483	2.4
165.17978	2.2
167.07018	8.2
172.08823	4.2
175.11206	4.3
176.80974	2.0
177.09297	2.5
177.12752	39.5
179.10689	26.3
181.12254	2.6
187.11203	19.0
193.12425	1.8
195.13814	3.0
200.49315	2.1
205.12248	60.1
223.13295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1079
Annotation	Phe-gly
Peak:m/z	Relative Intensity
52.14955	0.2
56.96565	0.3
57.07075	0.5
58.06598	0.4
59.53443	0.3
61.78147	0.3
62.65227	0.3
65.90487	0.3
67.05503	0.5
67.91660	0.2
69.03427	0.8
69.07070	0.5
69.54540	1.5
70.06265	0.3
70.06590	1.7
71.06953	0.3
72.08165	0.6
79.05495	1.1
81.03438	0.8
81.07058	0.5
83.05000	0.7
84.08153	1.1
85.02916	0.7
86.09717	0.7
91.05494	1.0
93.07053	1.8
95.05002	0.5
95.08612	0.9
97.02890	0.5
97.06589	0.3
98.21493	0.5
98.97581	0.7
98.98485	0.3
103.05477	3.5
105.03394	0.7
105.07053	0.8
107.04980	1.7
107.08614	1.1
109.02911	0.6
109.06557	0.5
112.23289	0.3
115.05525	0.4
116.07113	0.6
117.07028	0.6
119.08565	0.4
120.08112	100.0
121.02877	0.5
121.06480	1.7
121.08469	0.6
121.10151	0.9
123.08089	0.6
129.10271	0.6
131.04942	2.7
131.08551	0.3
133.10178	0.4
135.04408	0.3
135.08049	0.6
135.11703	0.4
137.09532	0.3
140.77576	0.3
143.11958	0.4
145.06483	0.7
147.08069	0.3
147.95421	0.2
149.02342	3.7
149.05995	2.0
159.11716	0.7
163.03946	0.7
163.11191	1.0
165.09108	0.4
166.08650	38.4
167.08664	0.3
177.00706	0.5
177.10257	13.9
177.12537	1.6
179.10619	0.4
187.11113	0.3
190.02576	0.3
195.08104	0.3
205.05060	0.3
205.08424	0.3
205.10136	0.4
205.12254	1.8
223.04245	0.6
223.06049	2.4
223.10815	3.5
223.13351	1.3
223.16887	0.5
225.04309	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.22280	0.6
53.03949	1.7
55.01877	1.4
55.05508	2.9
57.03441	1.7
57.07080	1.4
59.05010	1.7
61.02930	1.7
62.05708	0.6
66.80253	0.7
67.05508	4.3
68.99804	1.2
69.03436	2.9
69.07072	2.2
70.28541	2.5
71.04996	2.6
79.05502	12.1
81.03432	6.0
81.07060	5.3
83.04983	7.3
83.08640	1.4
84.08168	0.9
85.02904	2.6
91.05493	6.7
93.07050	13.5
95.04971	4.2
95.08603	6.7
97.02924	0.7
97.06542	3.5
98.20824	0.7
99.04475	1.1
101.06029	1.0
103.05431	1.2
105.04544	0.7
105.07040	15.7
107.04961	10.6
107.05634	1.1
107.08591	9.8
109.06524	9.3
109.10175	3.7
111.04414	0.9
111.08108	1.3
115.05476	0.9
117.07045	2.3
119.08588	10.8
121.06513	10.3
121.10149	100.0
122.10519	0.9
123.04452	1.1
123.08069	16.8
123.11726	1.3
125.06004	2.2
131.08589	2.0
133.07664	2.4
133.10129	4.9
135.08054	10.4
135.11711	5.2
135.17244	0.7
137.05980	1.7
137.09630	5.0
139.07521	2.2
139.11208	4.3
143.08533	1.1
144.09349	1.2
145.06544	1.3
145.10126	7.0
147.08049	3.8
147.11700	2.5
149.02361	2.6
149.05981	5.6
149.09634	3.1
149.13284	1.5
151.07478	0.7
151.11194	2.8
153.09140	1.9
157.10109	0.8
159.07967	1.0
159.11687	7.4
161.09621	3.0
163.07559	1.7
163.11186	14.8
165.09120	14.5
165.12729	0.9
167.07054	2.2
167.08563	1.2
172.08835	1.0
175.11201	6.1
177.09193	1.4
177.12758	12.4
179.10684	3.7
181.12254	1.0
187.11098	3.3
193.12260	17.9
195.13890	0.8
205.08571	1.0
205.12251	18.1
223.04123	0.9
223.05995	1.7
223.13295	56.9
223.16954	2.9
224.13779	0.9
225.04356	0.8
237.42194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	4.0
55.01859	2.3
55.05513	21.6
56.91688	1.6
57.03421	1.9
57.07083	8.5
57.07306	1.8
59.05001	3.0
67.05507	30.6
69.03419	2.8
69.07070	36.0
70.56852	4.8
70.57203	2.0
71.04976	7.3
79.05494	23.4
81.07056	70.7
83.04976	14.8
83.08617	14.0
85.06532	4.7
85.10210	2.9
91.05489	22.7
93.06490	3.0
93.07048	44.5
93.09795	1.9
95.04945	4.7
95.08611	60.1
97.06532	6.0
97.10174	11.6
99.08083	3.7
105.04562	1.9
105.07032	50.1
107.07880	3.7
107.08596	66.4
109.06493	3.0
109.10162	49.8
111.08092	4.0
111.11720	5.5
113.09678	1.8
117.07025	2.4
119.06068	2.0
119.08581	43.2
121.10152	28.7
123.08081	4.3
123.11706	19.9
125.09635	16.2
133.10136	28.4
135.08054	1.8
135.11688	16.0
137.05972	2.7
137.09613	6.3
137.13219	2.8
139.11151	3.4
143.08559	3.4
145.10098	3.3
147.08017	4.6
147.11697	46.7
149.13245	5.2
151.07545	2.3
151.11201	5.3
153.98494	1.8
157.10164	2.3
159.11726	3.0
161.05977	2.1
161.09586	3.0
161.13254	33.8
163.14845	16.5
165.09053	2.3
165.12767	6.5
175.07344	1.8
175.11151	2.6
175.14835	17.5
177.16443	8.4
182.61209	1.7
193.15956	2.0
203.07141	2.0
203.14291	5.7
203.17960	100.0
221.15582	15.0
221.19000	67.8
226.23015	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.67524	1.2
53.03938	1.5
55.05516	11.8
56.96562	1.8
57.07068	5.2
59.05003	1.8
61.80317	1.2
67.05503	15.4
67.16550	1.2
69.07069	23.0
69.55282	4.8
69.55689	2.7
71.04990	5.3
73.92751	1.2
77.03922	1.2
77.99304	1.1
78.17471	1.1
79.05487	9.6
81.07055	34.8
82.85722	1.1
83.08611	12.4
85.06528	5.0
85.10200	2.4
91.05476	14.5
93.07047	21.5
95.04964	2.7
95.08609	49.0
96.05297	1.2
97.06524	2.8
97.10171	6.7
98.20779	2.0
99.08080	2.2
105.06322	2.2
105.07027	37.2
105.07703	2.6
107.08595	44.9
109.06515	3.8
109.10159	33.5
109.10782	0.9
111.08067	4.3
111.11705	1.4
115.05421	1.4
117.07011	2.4
119.08579	34.7
119.09375	2.4
121.06509	3.6
121.10152	24.5
123.04445	1.3
123.08089	3.2
123.11691	9.8
125.09620	14.9
129.06976	1.7
131.08540	2.0
133.06491	1.4
133.10132	24.4
135.11705	8.3
137.05989	2.6
137.09616	4.3
137.13278	2.4
139.11205	3.8
143.04918	1.3
145.10139	3.6
147.04437	1.4
147.08009	1.8
147.11688	39.5
149.13354	2.7
151.11165	4.0
153.12791	1.8
158.05981	1.6
159.11636	1.8
161.09663	2.0
161.13261	22.9
163.14836	10.0
165.09148	1.3
165.12740	8.3
175.11180	2.6
175.14821	15.0
177.16362	10.9
192.68158	1.2
193.16003	1.2
203.10680	2.5
203.17952	100.0
206.16306	2.3
221.04367	1.7
221.08035	3.8
221.09877	1.6
221.11580	2.0
221.13388	2.1
221.15398	7.8
221.19019	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.9409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59332	4.1
57.30570	3.7
63.20549	3.8
66.41173	3.4
70.20950	12.1
94.93034	8.5
98.20823	4.5
103.50113	3.5
104.10780	6.4
222.94069	100.0
222.96219	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	1.6
55.05513	11.2
57.03442	1.2
57.07064	3.5
58.73753	1.1
59.04980	1.1
67.05501	9.3
69.07077	8.4
69.68998	5.1
71.04997	16.0
79.05077	1.4
79.05494	17.4
81.07056	77.8
82.07404	1.3
83.05000	1.6
83.08625	5.0
85.60857	1.0
91.05481	11.0
93.07045	35.9
95.04979	1.7
95.08611	23.4
97.06515	2.9
97.10181	1.9
99.08085	3.8
105.07036	28.2
107.08598	59.5
109.06520	2.8
109.10157	22.2
111.08054	1.1
111.11713	1.0
113.09605	2.0
115.05466	1.3
117.07022	2.1
119.08588	51.1
121.06493	1.2
121.10143	9.1
123.08070	2.2
123.11700	16.3
125.09647	1.6
127.11235	7.8
133.10138	24.1
135.11697	100.0
137.09653	3.2
137.13216	1.7
139.11203	1.4
145.10072	2.0
147.11691	19.2
149.13277	7.0
151.11165	2.7
159.11641	1.7
161.09663	1.3
161.13254	12.4
163.14833	4.2
165.12801	1.1
167.38307	1.2
175.14809	3.5
177.16383	1.9
203.14459	1.6
203.17964	37.2
221.15430	3.5
221.19032	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00303	1.0
53.03933	2.5
55.05513	7.6
57.07080	2.4
58.64216	1.2
65.03960	1.1
67.05519	10.2
69.07070	10.2
69.77963	2.1
69.78381	3.8
71.04998	18.0
79.05500	23.8
81.07062	100.0
83.04993	1.6
83.08604	3.2
85.02742	1.3
85.06547	3.1
91.05486	10.0
91.68240	1.0
93.07050	40.1
95.04964	1.7
95.08614	24.6
97.06535	2.0
97.10161	2.4
99.08098	3.1
105.07034	29.7
107.04987	1.3
107.08604	48.7
108.08923	1.2
109.06520	2.7
109.10156	21.6
111.08068	2.0
113.09696	1.5
117.06991	1.8
119.05043	1.2
119.08588	47.6
121.06522	2.2
121.10151	11.1
123.08085	2.1
123.11711	19.2
127.11167	7.4
130.11189	1.1
131.08681	1.4
133.06453	1.4
133.10147	23.5
135.11700	90.3
137.09653	3.2
137.13277	1.5
143.08452	1.4
145.10092	2.0
147.11693	23.5
149.13271	5.5
151.11195	2.5
157.10176	1.5
159.11662	2.1
160.12579	1.4
161.09642	2.3
161.13258	11.7
163.14847	2.9
165.12862	2.0
165.69919	1.2
175.03937	1.6
175.07492	1.5
175.11266	1.7
175.14816	4.0
177.16406	2.1
203.03419	3.1
203.06882	1.7
203.14432	1.9
203.17969	33.8
221.07977	2.7
221.11659	2.4
221.15483	7.9
221.19038	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.10642	0.6
53.03946	0.7
55.01874	1.0
55.05511	3.9
56.96558	0.9
57.07072	1.7
63.42685	0.8
67.05491	2.2
69.03396	0.6
69.07073	5.8
70.76601	1.4
79.05492	1.8
81.07054	5.0
83.08613	3.7
85.02902	6.4
91.05465	3.1
93.07048	4.3
95.04971	1.9
95.08604	6.0
97.06525	1.4
105.07040	6.8
107.08596	4.5
109.05919	0.6
109.06543	5.1
109.10179	3.9
110.32162	0.6
111.08067	1.7
115.05358	0.7
117.06981	1.0
119.05006	0.6
119.08585	8.8
121.06494	0.8
121.10155	5.5
123.08048	6.1
123.11713	1.5
125.05957	0.9
125.09634	1.1
130.07813	1.0
131.08574	1.4
133.06505	1.0
133.10146	16.7
135.08003	0.9
135.11684	3.5
137.05945	1.1
137.09636	2.0
137.13252	1.5
137.35950	0.6
145.10114	3.7
147.04488	1.0
147.08060	1.4
147.11690	2.0
149.09662	0.9
151.07558	15.7
151.11214	0.7
153.09065	0.9
157.10104	1.1
158.01181	0.6
159.11691	1.5
161.09605	1.7
161.13269	28.3
163.11185	2.2
165.09155	3.3
175.07494	0.9
175.11249	0.7
175.14766	3.5
177.12773	0.8
179.14301	4.3
185.13225	3.0
203.10715	1.4
203.14334	3.1
203.18004	1.2
206.16260	0.8
221.15373	100.0
222.15794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
53.03938	0.6
55.01866	0.7
55.05516	1.2
56.96550	0.6
57.03434	2.0
57.07081	1.0
58.99580	1.0
62.76458	0.5
65.03960	0.4
67.05500	1.7
69.03416	0.9
69.07059	0.7
70.06587	1.7
71.01345	0.5
71.51330	0.5
72.08140	1.2
73.02906	0.8
76.02235	1.1
77.96319	0.4
79.05491	2.9
81.03418	0.7
81.07058	10.5
82.14645	0.5
84.04510	0.7
84.08159	2.4
85.01115	1.2
85.02886	0.5
85.06535	0.6
86.00660	1.2
86.09703	3.0
86.99059	1.4
87.02711	3.6
87.04471	57.2
90.05515	0.5
91.05496	2.4
93.07053	0.9
95.38560	0.5
97.02887	1.6
98.09665	0.5
98.97590	0.5
99.08089	1.3
102.03755	1.2
103.03945	1.0
105.00094	1.4
105.07023	1.9
107.04949	1.1
107.08595	0.9
110.07194	1.0
115.05458	1.3
116.98572	0.5
117.07017	1.7
118.06557	5.3
119.07330	6.0
119.08598	0.7
120.08109	1.5
120.08892	0.5
121.06519	3.3
121.10140	0.8
122.02728	2.6
124.07573	0.6
129.07025	2.7
129.10240	0.5
131.01631	1.0
131.04967	2.7
131.08562	2.2
132.01158	1.0
132.08061	1.1
132.08926	0.6
133.06480	2.1
133.10135	0.6
134.09656	84.1
135.06772	2.5
136.06174	3.8
136.07524	0.6
137.05951	0.8
138.09169	0.5
141.06973	0.6
142.07794	4.1
143.08519	1.2
144.05676	1.5
145.06490	0.7
145.10057	0.7
146.06024	1.1
147.06467	1.0
147.08008	0.8
148.04282	2.8
148.07590	4.1
149.05992	6.0
149.09595	0.6
151.07607	0.6
152.06158	0.5
157.06491	2.9
157.10089	4.7
159.04747	1.2
159.08076	2.3
160.03279	2.0
160.07570	4.0
160.08696	0.5
161.05936	0.6
162.13605	0.6
164.06995	1.0
167.08559	1.6
169.04239	1.4
169.07593	0.6
170.07259	8.8
173.09651	0.6
174.09145	1.1
174.11227	1.5
174.12617	0.6
175.07275	0.7
175.11183	8.1
176.10709	1.7
177.09183	2.3
185.09627	24.7
192.06543	0.6
192.11160	0.6
200.10703	8.1
202.09132	3.6
202.12259	13.8
202.18091	2.9
203.07339	1.4
203.10696	4.6
204.14671	1.2
205.15912	4.1
220.13350	100.0
220.17421	4.9
220.19263	2.5
221.13635	1.1
222.22523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.51231	0.1
51.72258	0.1
52.27979	0.1
56.96563	0.2
67.93839	0.1
69.55196	0.3
69.55592	0.8
70.49869	0.1
71.15559	0.1
93.07059	0.2
97.50133	0.1
105.79060	0.1
106.06614	0.2
106.07341	0.2
118.06548	7.8
119.07338	0.2
120.08137	0.2
132.08081	1.9
133.08870	1.1
134.09651	0.6
144.08069	0.3
146.09654	2.6
147.10446	0.3
160.11267	0.5
161.12016	0.2
162.09138	4.8
163.09949	0.2
176.10777	3.1
176.14346	23.9
177.11475	1.3
189.15042	0.1
190.12267	2.7
191.13051	0.2
202.15817	0.6
204.13861	0.3
220.16966	100.0
221.17262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03953	1.1
55.01871	4.7
55.05516	1.9
56.05027	2.1
56.96568	46.7
57.03440	11.8
57.07063	3.2
59.04998	1.2
60.04526	1.8
60.95845	3.0
61.01155	2.7
61.02929	12.7
67.05520	1.7
68.05032	1.4
69.03428	9.8
69.07066	3.5
69.95431	2.7
69.95831	1.9
70.06590	10.0
70.98125	5.3
71.01357	2.2
71.04989	2.7
71.91243	1.1
71.95281	1.8
72.08162	3.6
72.19028	1.1
73.02924	25.3
73.06550	1.8
74.02451	1.4
74.03246	1.1
74.06091	2.4
74.97587	0.9
75.04501	1.2
76.03988	1.6
79.05475	1.1
81.01042	1.0
81.03416	3.9
81.07085	2.5
82.01421	1.3
82.02957	2.5
83.01302	1.2
83.08610	1.3
83.98246	1.2
84.04522	2.6
84.08173	5.1
84.96026	3.2
85.02914	20.2
85.08489	1.5
86.03690	3.0
86.09718	3.5
87.04476	3.0
88.03989	4.0
88.04801	1.1
88.99194	1.6
89.00813	2.5
89.02296	1.0
91.03972	1.5
91.05466	3.1
94.06567	3.5
95.00780	1.7
95.01343	3.8
96.01564	2.5
97.02892	13.6
97.96802	2.3
97.99187	1.1
98.01290	5.5
98.06071	1.5
98.21401	1.3
98.97591	66.1
99.04443	2.8
100.00972	1.2
100.02500	2.2
100.97193	4.1
100.97930	1.3
100.99158	1.4
101.00820	5.3
101.02391	2.3
102.96873	2.3
103.03938	1.8
103.05457	1.2
104.01301	3.1
105.07040	1.5
107.01831	1.9
107.04940	1.4
107.08587	1.7
108.01520	1.6
109.02911	1.6
109.06544	1.0
110.01275	7.8
110.07170	3.2
110.97580	18.3
111.08120	1.2
112.07561	1.2
112.99144	3.1
113.00847	1.6
114.01511	1.1
115.03956	2.2
115.05444	2.7
116.01293	1.9
116.07117	2.5
116.65370	1.0
116.98626	17.5
117.02076	2.5
118.01038	6.3
119.01028	1.9
119.01835	14.9
119.04940	1.2
120.08105	1.1
120.97919	1.5
121.06486	1.8
122.97583	2.9
123.02083	2.3
124.99132	3.1
125.01807	2.3
127.01539	9.8
127.03948	6.5
128.02316	7.3
128.07079	6.2
128.52554	1.5
128.98613	12.6
129.05525	2.2
130.00993	1.3
130.06534	79.5
131.00160	3.3
131.01863	4.1
132.04456	39.4
132.05423	2.3
133.03375	3.2
134.99663	3.7
136.02049	3.3
136.06157	1.2
136.07594	4.9
137.01863	1.5
137.02864	2.5
137.05989	8.7
138.97044	1.6
140.00418	1.2
140.02309	4.0
140.98596	8.6
141.05470	2.3
143.00172	6.4
143.01866	2.5
144.98091	1.6
145.05028	1.2
146.02304	6.4
146.99669	7.8
147.03235	2.8
147.04439	3.8
148.07599	3.5
149.01207	2.8
149.02850	3.2
150.09134	1.3
152.00386	1.4
152.02316	4.1
152.98686	1.2
153.03099	1.8
155.02849	10.8
155.04649	11.1
155.52998	2.3
155.54884	1.9
156.98116	7.1
157.01715	2.0
157.07620	51.7
158.01276	1.5
158.06026	81.2
158.11786	1.8
158.99677	22.7
159.12091	6.1
160.02080	1.4
161.01183	5.5
161.02901	14.1
161.04286	2.0
161.05911	1.3
161.53014	1.3
161.55211	1.3
162.03683	1.5
162.98988	2.1
163.02650	2.3
164.03413	3.5
164.05177	1.4
165.00659	1.3
167.51044	1.6
168.01869	1.8
170.03394	8.1
170.99702	7.5
172.97545	1.5
173.01167	2.1
173.02835	2.8
173.56828	1.3
174.99181	11.4
175.00764	2.2
175.02757	5.7
175.08698	100.0
176.07359	5.5
176.08932	1.2
177.00697	18.3
177.02164	1.5
178.98520	1.7
179.02301	3.9
179.03831	1.9
181.00157	1.4
181.04987	1.9
182.01822	1.9
182.03343	10.1
182.53621	1.8
182.99678	2.4
186.05592	2.8
186.99139	1.4
188.97147	1.5
189.00661	6.9
191.02199	2.4
191.03905	31.6
191.54120	3.8
193.00215	3.5
195.01808	4.4
196.99579	1.3
197.01233	1.5
198.00798	2.2
198.02504	3.7
200.04420	40.9
200.54553	6.1
201.00787	6.6
201.04324	1.1
202.98660	4.0
203.02177	1.7
203.08171	35.1
203.14700	1.6
204.06604	4.6
205.00258	1.9
209.04994	2.6
217.00211	2.0
219.01758	8.1
220.02240	1.4
220.99738	6.1
221.03049	7.0
221.04921	1.6
221.09369	17.2
221.15559	1.8
235.01169	2.6
237.02843	12.2
239.00595	1.7
239.04312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03944	2.1
55.01862	2.1
55.05511	10.9
55.72810	1.1
57.03439	2.0
57.07066	3.8
67.05504	15.1
69.03417	3.5
69.07073	13.4
69.22276	1.1
69.28173	3.4
69.28579	6.4
70.06591	1.7
71.01367	1.5
71.04984	3.9
71.08633	1.2
75.04458	1.9
79.05497	15.1
81.07059	46.2
83.04974	3.1
83.08617	4.8
85.02892	1.6
85.06540	3.6
87.04440	1.1
88.07626	2.1
90.72192	1.1
91.05481	21.7
93.07048	40.9
95.04961	3.9
95.08614	31.1
97.06532	5.6
97.10168	1.8
99.08100	1.3
103.03915	2.0
103.05475	1.7
105.07033	56.5
106.08672	1.3
106.55396	1.2
107.04893	1.1
107.08596	41.9
109.06525	4.5
109.10156	17.6
111.04491	1.4
111.08076	6.3
115.05437	4.0
117.07030	9.6
119.08594	37.0
121.06497	3.8
121.09332	2.3
121.10153	32.1
123.08074	4.9
123.11685	6.1
125.09634	5.1
128.06245	1.3
129.06989	5.3
130.07793	3.8
131.04927	2.9
131.08571	24.3
132.04497	1.2
133.10138	40.7
135.08055	5.3
135.11694	12.5
137.09618	2.7
137.13196	1.2
139.11159	1.4
141.06999	3.4
143.08569	2.1
144.09334	2.3
145.06485	3.5
145.10132	38.5
146.10863	1.5
147.04521	1.1
147.11713	10.1
149.09593	3.0
149.13202	3.9
157.06477	2.0
157.10168	2.9
158.07248	1.4
158.10931	1.6
159.02895	4.4
159.08063	5.1
159.11691	46.4
161.09575	1.7
161.13261	25.5
163.11215	7.3
163.14799	4.3
173.05978	1.6
173.09541	1.3
173.13283	12.1
174.06783	5.7
175.08742	1.9
175.14798	8.8
177.12715	1.9
177.16367	2.0
187.07518	1.5
189.09135	8.2
189.16249	1.4
191.10669	2.2
191.17943	4.9
201.05553	1.7
201.09094	3.6
201.12735	1.9
201.16389	40.2
203.14293	8.5
219.06459	5.5
219.10217	10.8
219.13829	9.4
219.17445	100.0
219.21455	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.11784	0.8
53.03938	1.4
55.05513	5.9
57.03423	1.2
57.07062	2.7
67.05508	9.8
69.03420	2.7
69.07076	6.8
69.38377	6.2
70.06577	3.4
71.04967	2.3
71.08641	1.1
75.04484	0.8
79.05488	7.4
81.06599	1.6
81.07059	32.6
81.07533	1.9
83.04969	1.6
83.08604	2.5
85.06549	2.0
86.67677	0.6
87.04439	0.8
88.07639	3.9
89.07954	1.9
91.05479	7.0
93.07050	19.2
95.04963	2.6
95.08610	21.4
97.06524	6.4
97.10164	1.7
98.20791	1.4
103.03931	1.2
103.09513	0.9
105.07032	24.7
106.08668	2.0
107.08581	19.6
109.06522	4.0
109.10163	16.6
111.08086	26.2
115.05458	1.6
117.07028	4.1
119.08588	19.4
121.06479	2.3
121.10151	16.4
123.08072	4.2
123.11723	6.7
125.09652	3.3
127.07555	0.9
129.06979	2.7
130.07813	0.8
131.04915	1.4
131.08583	12.1
133.10143	9.5
134.74574	0.7
135.08105	4.7
135.11699	11.6
137.09612	2.6
139.11201	1.1
141.06987	2.1
143.08533	1.4
144.05728	1.1
144.09348	1.6
145.06491	1.7
145.10130	27.4
146.10773	0.9
147.11711	6.1
149.09630	10.3
149.13235	2.7
151.11200	2.0
157.06467	1.0
157.10139	1.7
159.02919	2.0
159.08032	3.4
159.11708	19.8
161.09599	1.4
161.13257	20.7
163.11159	6.0
163.14778	2.3
173.05965	1.1
173.09729	0.8
173.13257	7.2
174.06741	2.4
175.14813	3.4
175.18816	0.8
177.12787	1.8
177.16360	2.3
185.32582	0.8
189.09166	4.8
189.12767	3.6
191.14267	1.3
191.17918	3.7
201.09122	2.6
201.13129	1.6
201.16388	28.5
201.20413	1.7
203.14325	3.2
204.15132	3.3
219.06627	1.6
219.10191	6.8
219.13869	4.4
219.17448	100.0
219.21478	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1334
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.01870	0.8
55.05511	0.9
56.96572	0.6
57.03445	1.0
57.07078	4.5
65.03935	0.8
66.87556	0.5
67.05502	7.0
68.05827	0.5
69.03426	1.3
69.07076	1.3
70.06590	1.4
71.01388	0.6
71.04993	0.5
71.51277	0.7
72.08167	3.1
73.02912	1.3
73.06557	0.8
73.08483	0.9
75.04462	0.6
79.05492	1.3
81.07046	2.6
83.04976	0.7
84.08146	9.2
85.06553	10.1
86.09709	2.1
87.04472	59.8
89.10777	0.8
91.05495	4.9
93.07056	1.4
97.02902	0.6
98.97588	0.7
103.05442	1.2
104.05796	1.8
105.07029	1.1
107.04942	0.6
110.07185	0.7
112.11241	1.6
117.06976	1.1
118.06533	5.3
119.04978	4.1
119.07317	6.2
119.08604	0.8
121.06551	0.9
121.10149	0.7
122.02765	0.6
124.07649	0.5
129.07030	0.5
131.04962	3.6
132.05272	6.9
132.08041	0.7
134.09659	100.0
135.06766	0.6
136.06323	1.2
136.07576	8.4
137.05971	1.3
138.09154	0.9
145.10115	0.7
146.10483	0.6
147.04468	0.8
150.23140	0.5
158.11838	0.6
159.02959	0.6
160.12021	0.8
161.05931	0.7
164.07013	2.6
175.07289	0.8
190.09464	1.5
192.11081	0.7
202.18018	2.0
203.12595	2.0
204.14694	1.3
205.15919	4.2
219.62312	1.7
220.13344	95.1
220.17549	6.3
221.13623	0.8
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	Unknow
Peak:m/z	Relative Intensity
51.55078	0.6
53.03937	2.7
55.05267	0.9
55.05511	10.7
57.03422	1.7
57.07066	6.1
58.07395	1.6
59.04986	2.4
65.03929	1.2
67.05186	1.0
67.05508	15.7
69.03146	0.7
69.03434	7.3
69.07073	20.4
69.50365	3.1
69.50759	1.4
70.06589	3.5
71.01355	1.1
71.04971	3.0
71.06921	1.4
71.08622	2.0
75.04477	1.2
79.05497	18.6
81.07058	56.1
83.04987	5.0
83.08614	5.0
85.06532	1.0
87.04457	2.6
88.07645	4.9
89.07965	3.0
91.05482	12.4
93.07048	39.6
95.04997	4.3
95.08611	25.2
97.06531	12.3
97.10167	3.8
98.21487	1.6
102.09176	1.4
103.03975	1.0
103.05424	1.2
103.09485	1.3
105.07034	27.7
106.08649	2.4
107.04928	0.7
107.07887	1.8
107.08592	33.2
109.06527	8.2
109.10159	29.9
109.10918	1.3
111.08091	4.8
115.05434	0.9
117.07010	4.6
119.08580	20.7
121.06498	1.9
121.10146	25.6
123.08071	12.1
123.11716	8.6
125.09637	7.1
127.11198	1.8
129.07005	1.5
130.07745	2.1
131.08569	11.1
133.10143	11.4
135.08063	3.3
135.10692	1.5
135.11697	20.5
137.09605	3.9
138.10437	5.0
140.28458	0.7
141.07014	1.2
143.08508	2.3
144.09354	1.7
145.06516	1.4
145.09062	1.4
145.10126	21.2
147.11694	18.3
149.09593	5.7
149.13261	4.4
151.11168	3.4
157.10123	1.6
159.02892	2.5
159.08092	1.4
159.11699	20.0
161.09650	0.8
161.13264	13.2
163.11186	20.2
163.14833	1.5
173.13269	4.8
174.06766	2.0
175.14803	3.8
177.12759	4.0
177.16383	1.6
187.02388	3.3
189.09102	2.3
191.14389	1.2
191.17953	6.0
201.09055	1.0
201.13054	0.9
201.16386	18.7
201.20412	4.0
203.14317	2.1
219.10159	4.7
219.13869	3.7
219.17448	100.0
219.21480	50.0
220.16861	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	219.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55078	0.6
53.03937	2.7
55.05267	0.9
55.05511	10.7
57.03422	1.7
57.07066	6.1
58.07395	1.6
59.04986	2.4
65.03929	1.2
67.05186	1.0
67.05508	15.7
69.03146	0.7
69.03434	7.3
69.07073	20.4
69.50365	3.1
69.50759	1.4
70.06589	3.5
71.01355	1.1
71.04971	3.0
71.06921	1.4
71.08622	2.0
75.04477	1.2
79.05497	18.6
81.07058	56.1
83.04987	5.0
83.08614	5.0
85.06532	1.0
87.04457	2.6
88.07645	4.9
89.07965	3.0
91.05482	12.4
93.07048	39.6
95.04997	4.3
95.08611	25.2
97.06531	12.3
97.10167	3.8
98.21487	1.6
102.09176	1.4
103.03975	1.0
103.05424	1.2
103.09485	1.3
105.07034	27.7
106.08649	2.4
107.04928	0.7
107.07887	1.8
107.08592	33.2
109.06527	8.2
109.10159	29.9
109.10918	1.3
111.08091	4.8
115.05434	0.9
117.07010	4.6
119.08580	20.7
121.06498	1.9
121.10146	25.6
123.08071	12.1
123.11716	8.6
125.09637	7.1
127.11198	1.8
129.07005	1.5
130.07745	2.1
131.08569	11.1
133.10143	11.4
135.08063	3.3
135.10692	1.5
135.11697	20.5
137.09605	3.9
138.10437	5.0
140.28458	0.7
141.07014	1.2
143.08508	2.3
144.09354	1.7
145.06516	1.4
145.09062	1.4
145.10126	21.2
147.11694	18.3
149.09593	5.7
149.13261	4.4
151.11168	3.4
157.10123	1.6
159.02892	2.5
159.08092	1.4
159.11699	20.0
161.09650	0.8
161.13264	13.2
163.11186	20.2
163.14833	1.5
173.13269	4.8
174.06766	2.0
175.14803	3.8
177.12759	4.0
177.16383	1.6
187.02388	3.3
189.09102	2.3
191.14389	1.2
191.17953	6.0
201.09055	1.0
201.13054	0.9
201.16386	18.7
201.20412	4.0
203.14317	2.1
219.10159	4.7
219.13869	3.7
219.17448	100.0
219.21480	50.0
220.16861	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	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
55.05500	4.6
57.03415	1.4
57.07065	2.4
59.04987	2.1
67.00287	1.1
67.05511	8.2
69.07070	29.0
70.10529	4.4
71.04988	5.8
77.18982	1.2
79.05495	5.3
81.07058	12.9
83.04974	1.9
83.08617	3.4
85.06533	3.0
91.05484	5.1
93.07039	12.8
95.04960	3.6
95.08614	22.0
97.06511	3.5
97.10159	1.4
105.06322	1.4
105.07043	20.2
107.08591	14.4
109.06490	5.0
109.10165	21.9
111.08033	1.8
111.11736	1.3
113.09657	1.0
117.06992	3.7
119.07803	2.1
119.08585	20.1
121.06482	2.5
121.10145	16.3
123.08047	1.8
123.11702	5.5
125.09594	4.2
129.09763	1.0
131.08554	5.8
131.78293	0.9
132.63550	1.1
133.10124	6.6
135.08046	3.9
135.11691	14.2
137.09622	8.9
137.13249	3.1
139.91335	1.0
145.10123	19.7
147.11685	4.6
149.09624	8.7
149.13231	4.0
151.11177	1.7
159.11705	10.7
161.13249	10.9
163.11185	16.6
163.14813	2.1
173.13251	2.9
175.14813	6.4
177.12691	3.1
177.16368	2.3
189.09071	1.1
189.12848	1.4
191.17961	10.7
195.51726	1.1
201.09166	1.3
201.16380	16.7
219.10243	1.7
219.17442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.55078	0.6
53.03937	2.7
55.05267	0.9
55.05511	10.7
57.03422	1.7
57.07066	6.1
58.07395	1.6
59.04986	2.4
65.03929	1.2
67.05186	1.0
67.05508	15.7
69.03146	0.7
69.03434	7.3
69.07073	20.4
69.50365	3.1
69.50759	1.4
70.06589	3.5
71.01355	1.1
71.04971	3.0
71.06921	1.4
71.08622	2.0
75.04477	1.2
79.05497	18.6
81.07058	56.1
83.04987	5.0
83.08614	5.0
85.06532	1.0
87.04457	2.6
88.07645	4.9
89.07965	3.0
91.05482	12.4
93.07048	39.6
95.04997	4.3
95.08611	25.2
97.06531	12.3
97.10167	3.8
98.21487	1.6
102.09176	1.4
103.03975	1.0
103.05424	1.2
103.09485	1.3
105.07034	27.7
106.08649	2.4
107.04928	0.7
107.07887	1.8
107.08592	33.2
109.06527	8.2
109.10159	29.9
109.10918	1.3
111.08091	4.8
115.05434	0.9
117.07010	4.6
119.08580	20.7
121.06498	1.9
121.10146	25.6
123.08071	12.1
123.11716	8.6
125.09637	7.1
127.11198	1.8
129.07005	1.5
130.07745	2.1
131.08569	11.1
133.10143	11.4
135.08063	3.3
135.10692	1.5
135.11697	20.5
137.09605	3.9
138.10437	5.0
140.28458	0.7
141.07014	1.2
143.08508	2.3
144.09354	1.7
145.06516	1.4
145.09062	1.4
145.10126	21.2
147.11694	18.3
149.09593	5.7
149.13261	4.4
151.11168	3.4
157.10123	1.6
159.02892	2.5
159.08092	1.4
159.11699	20.0
161.09650	0.8
161.13264	13.2
163.11186	20.2
163.14833	1.5
173.13269	4.8
174.06766	2.0
175.14803	3.8
177.12759	4.0
177.16383	1.6
187.02388	3.3
189.09102	2.3
191.14389	1.2
191.17953	6.0
201.09055	1.0
201.13054	0.9
201.16386	18.7
201.20412	4.0
203.14317	2.1
219.10159	4.7
219.13869	3.7
219.17448	100.0
219.21480	50.0
220.16861	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	219.1019
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03934	1.1
55.01870	1.9
55.05513	5.0
56.96559	1.2
57.03431	2.1
57.07077	1.7
65.03943	1.1
67.05507	9.3
69.03404	2.1
69.07079	5.6
70.42790	2.6
71.01331	3.7
71.04986	3.1
75.04459	4.1
79.05494	7.6
81.03402	1.1
81.06602	1.4
81.07060	19.8
81.47623	0.8
83.04961	2.0
83.08613	1.9
84.99282	1.0
85.02907	1.1
85.06534	1.7
87.04471	6.1
88.60860	0.8
89.09248	1.1
91.05492	18.5
93.07056	15.3
95.04957	3.0
95.08604	12.9
97.06548	5.5
98.97568	1.1
103.03954	5.0
103.05434	2.8
105.07037	19.4
107.07883	1.2
107.08591	15.1
107.63332	0.9
109.06503	3.3
109.10160	10.2
111.04436	1.5
111.08080	4.0
115.05460	10.0
116.06222	2.4
117.07020	9.0
119.08597	15.7
121.06491	2.1
121.10132	12.4
123.08055	2.7
123.11691	3.2
125.09662	2.0
128.06258	8.5
129.07018	30.6
130.07773	3.4
130.84084	1.0
131.04958	6.5
131.08578	40.0
133.06474	1.7
133.09213	1.6
133.10124	11.6
135.08083	4.2
135.11710	5.9
137.05971	2.7
137.09567	1.0
141.06998	28.2
143.04912	2.7
143.08527	3.3
144.05696	3.6
144.09332	1.6
145.06477	7.2
145.09070	1.3
145.10143	19.4
146.06053	1.5
146.07271	2.9
147.04237	0.8
147.11722	5.1
148.05150	1.1
149.06021	1.3
149.09599	2.9
149.13295	2.3
149.31389	0.9
155.06018	1.8
157.06494	16.7
157.10074	1.3
158.07269	16.6
159.02892	6.7
159.04411	4.1
159.08060	21.9
159.11710	21.2
160.05275	5.1
161.06020	1.0
161.09650	5.2
161.13263	11.6
163.07562	2.6
163.11147	5.2
163.14748	1.0
169.06487	11.8
169.07690	1.5
170.07263	5.6
171.07999	1.4
173.06071	6.3
173.09734	1.4
173.13292	8.3
174.06775	58.3
175.07568	7.7
175.14813	4.0
176.14372	2.4
177.09081	2.0
177.12675	1.7
183.11806	1.0
186.06792	14.4
187.02394	7.8
187.07460	1.2
188.08356	3.1
189.09117	75.8
191.07007	2.0
191.10713	7.5
191.17953	2.0
201.05420	2.5
201.09116	35.4
201.12720	3.6
201.16403	18.0
203.14391	5.8
204.15157	1.0
219.06583	3.2
219.10164	100.0
219.13789	9.3
219.17436	59.2
219.19643	1.9
220.16975	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	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01881	1.3
55.05508	0.7
56.96565	9.7
57.03440	0.7
60.04528	100.0
61.02929	2.4
63.06196	0.5
64.62731	0.6
68.99788	0.7
69.03426	1.4
69.07070	2.1
70.02955	0.6
70.06611	0.6
70.69634	1.2
70.98138	1.4
71.01362	7.9
71.04993	0.6
71.95259	1.0
72.08162	2.0
73.02911	1.1
74.06064	0.5
75.04493	3.4
81.03453	0.7
81.07066	1.1
83.04996	0.6
84.04517	0.6
84.08152	2.6
84.96040	1.2
85.02915	1.8
85.06561	1.1
85.08488	0.7
86.06073	1.0
86.09710	71.2
87.04469	2.9
87.05606	4.3
88.99191	0.7
97.02901	1.9
98.06070	2.7
98.97588	53.1
100.99161	1.0
101.02419	0.7
103.03944	4.6
103.05501	0.6
109.06429	0.5
110.03098	0.7
110.97577	4.2
111.04472	0.6
116.98620	18.1
117.01968	0.7
119.01888	0.5
126.09138	0.7
127.00260	0.7
127.01601	0.6
128.02287	1.1
128.10719	4.0
128.98608	3.1
131.03444	4.2
132.04469	0.7
132.10210	57.5
134.99689	4.7
136.92192	0.7
136.93158	1.3
137.02324	4.5
137.05981	1.0
140.00218	0.9
140.10698	1.7
140.98511	0.6
141.02176	1.1
143.00148	0.8
144.10204	1.9
145.01529	1.0
145.04942	0.9
145.10326	0.6
146.99687	1.5
148.05962	0.7
152.04150	0.8
154.94269	2.6
155.04622	1.1
155.11832	0.6
157.05031	1.9
158.11781	8.9
158.99684	6.5
159.02895	9.6
161.04669	10.3
161.13225	0.7
161.54829	0.7
162.98950	0.5
170.05180	1.9
170.99710	0.8
172.09750	0.9
172.95204	2.0
173.01276	0.6
173.05939	0.5
173.12871	34.2
174.24971	0.6
177.00711	9.5
177.04343	1.2
178.02077	1.4
179.03427	0.9
187.02614	2.7
189.00745	1.2
195.01675	3.2
195.55730	1.7
196.03163	1.4
201.00565	0.5
201.02406	0.7
201.09464	0.6
201.12367	7.1
202.14380	1.0
203.14272	2.3
205.03648	0.6
207.01785	0.6
219.01721	2.1
219.05078	1.2
219.13414	15.8
219.17439	7.3
220.15390	1.7
232.99556	0.8
237.02806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04645	0.3
56.96305	0.6
56.96569	9.7
57.03452	0.4
61.02921	0.8
69.80596	1.8
70.98123	8.0
70.98507	0.6
71.01342	0.4
71.95261	1.2
82.01453	0.3
84.96043	0.8
86.09686	0.6
88.99164	1.9
96.36836	0.4
96.56847	0.3
98.21470	0.6
98.97590	100.0
101.00874	0.4
110.97587	2.0
112.99149	0.4
115.00716	1.0
116.98627	24.6
117.69160	0.3
119.01865	0.7
128.98615	3.7
129.02223	1.7
131.00153	3.6
133.01706	0.9
134.99651	3.6
140.00212	0.6
144.98116	0.3
146.99649	3.4
147.03313	0.7
149.01251	1.7
158.99664	11.8
159.03296	1.3
165.00766	1.2
170.99638	0.4
177.00728	33.3
177.04156	2.6
181.73753	0.4
189.00728	2.0
195.01782	10.7
195.05479	0.7
196.00929	0.4
200.02354	0.5
207.01788	1.5
219.01779	4.8
219.05449	1.3
237.02875	1.5
237.06534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83406	11.6
62.11346	12.1
69.22201	100.0
70.44289	12.9
77.34981	11.3
77.42068	11.7
88.32758	12.6
98.21629	21.1
108.12341	12.7
108.32382	12.9
154.01001	12.6
196.40309	13.5
219.02690	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70383	0.8
55.01873	4.2
61.02934	21.8
67.70036	0.8
70.79810	2.7
71.00967	1.7
71.01360	34.4
72.84312	0.7
75.04489	53.1
87.04472	16.8
89.02396	9.2
98.36456	0.9
101.06022	1.7
103.03952	61.7
120.37818	0.9
131.03423	14.5
145.08887	0.9
159.02905	100.0
161.04375	1.2
178.33908	1.0
187.02390	8.1
219.05019	14.1
219.17445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.8
59.01358	1.1
59.04990	0.9
60.51385	1.0
61.02933	22.2
70.11385	2.3
70.11777	2.0
71.00974	2.1
71.01360	30.8
75.04488	50.3
76.12218	0.9
87.04473	17.2
89.02388	9.2
98.20836	1.1
101.05985	2.0
103.03954	55.1
121.41345	1.0
131.03416	13.2
146.06030	5.9
159.02908	100.0
161.04472	2.0
187.02406	12.8
219.05020	16.6
219.07187	1.8
219.17471	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
57.60595	0.8
61.02929	22.6
69.93810	0.7
70.22117	3.4
71.00973	1.6
71.01357	34.1
75.04485	52.8
84.99268	1.4
87.04474	16.1
89.02402	6.8
98.97572	1.4
101.06024	1.9
103.03947	59.4
131.03410	14.1
159.02898	100.0
161.04335	0.8
171.78285	0.9
182.93976	0.8
187.02426	8.1
197.90155	0.8
206.15848	0.8
219.04970	12.0
219.17474	1.8
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
53.03930	1.8
55.01863	2.2
55.05515	31.0
57.07083	2.8
59.04994	4.4
66.77284	1.1
67.05511	8.1
69.03417	4.1
69.06728	1.8
69.07073	23.0
69.40884	8.1
71.04985	1.4
73.02904	2.0
79.05478	5.2
81.07052	10.4
83.04496	2.4
83.04987	47.3
83.08607	4.3
85.06535	3.6
87.04462	2.5
89.02383	3.7
89.06025	11.8
91.05492	11.1
91.37601	1.0
93.07057	9.6
93.92043	1.2
95.04972	10.0
95.08615	13.2
97.06512	3.3
98.98468	1.6
99.04433	3.2
101.06029	16.2
103.05458	1.5
105.07040	23.7
107.08585	13.5
109.06542	5.9
109.10171	10.5
111.04450	66.7
111.08066	3.7
111.11729	3.0
113.05978	6.9
115.05437	2.5
117.06989	3.2
119.08584	52.6
121.06518	3.8
121.10158	15.7
123.08075	3.6
127.07546	8.9
128.06209	3.7
129.05498	9.8
129.06970	5.3
131.08583	14.4
132.68732	1.1
133.06502	3.8
133.10141	25.8
135.08034	3.6
135.11726	5.2
137.06009	2.3
142.07738	2.6
143.08583	10.4
144.09384	1.7
145.06441	1.7
145.10146	11.9
146.07236	1.9
147.08052	8.3
147.11711	12.1
148.08838	3.5
149.09604	4.7
155.07045	79.2
156.09369	3.2
157.10158	13.0
158.10924	2.9
159.11699	12.1
161.06021	1.9
161.09613	22.6
161.13214	3.0
169.10135	2.5
170.10855	1.4
171.08105	1.6
171.11699	7.3
173.08110	68.0
173.13254	15.3
174.06801	5.6
175.11172	9.4
175.14819	10.8
184.12448	2.7
187.11208	2.3
187.14876	5.7
189.09122	44.0
189.12668	2.0
189.16403	13.4
190.09293	1.2
192.34496	1.4
199.07878	1.3
199.09657	6.2
199.11313	1.2
199.14874	14.4
202.13419	1.3
217.05064	2.1
217.08615	18.7
217.10719	52.2
217.12119	2.6
217.15889	100.0
217.19434	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	218.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.05516	1.3
56.96299	1.2
56.96570	13.5
57.03423	1.0
60.95856	4.8
61.02924	4.5
67.05504	1.4
69.03424	1.9
69.42800	0.9
70.02625	3.9
70.06600	12.1
70.98115	4.2
71.01364	6.6
71.95272	2.0
72.08157	2.2
73.02905	1.9
75.04471	1.5
83.04960	1.0
84.05305	0.9
84.08155	9.3
85.02898	8.4
86.06065	4.0
87.04447	3.5
88.99169	1.0
97.00500	1.2
97.06544	2.6
97.69614	0.8
98.97596	100.0
101.00874	3.5
102.00960	4.4
103.03936	2.5
104.07115	1.6
104.98410	2.4
105.00260	1.1
105.75453	0.8
110.97579	2.7
111.00209	1.6
111.04419	1.2
112.00987	0.9
112.04764	1.1
114.09162	1.3
115.02409	1.2
116.98631	36.1
117.01853	3.6
118.01007	3.5
119.01909	4.5
120.01993	5.1
121.01676	1.1
124.01050	1.9
125.02668	1.9
126.03363	0.9
127.01553	6.3
128.98636	2.0
129.10245	1.6
130.04991	2.4
131.01859	1.3
131.03410	3.1
132.01814	1.0
132.97957	1.6
133.01556	1.9
133.03459	1.1
134.03598	1.5
134.99670	6.9
137.00819	2.2
137.05954	1.8
137.31062	0.9
138.00774	1.0
140.00262	4.3
140.98570	1.5
145.03465	1.2
146.01396	2.1
146.03596	8.2
147.05783	1.6
147.11359	0.9
148.97398	1.2
150.98987	1.1
153.00677	0.8
154.12225	1.3
155.04655	1.4
156.06464	1.8
156.07555	1.6
156.10201	1.7
156.98158	1.0
158.01387	4.3
158.99651	5.2
159.02902	3.8
164.00522	1.4
164.04686	1.5
167.01111	4.8
168.01805	1.8
172.06131	2.0
172.13313	2.7
172.97598	1.6
173.01059	2.1
174.08452	1.5
174.11247	4.0
174.99127	1.5
175.00792	0.9
175.99486	1.7
176.01100	2.0
177.00748	18.6
177.02219	1.8
178.51956	1.2
190.02594	4.0
190.98741	1.4
191.04007	1.2
193.00264	1.1
194.00450	0.9
194.05304	1.1
195.01805	5.0
200.12817	5.7
201.02481	1.3
212.98978	1.0
217.00079	1.2
218.02081	1.8
218.06625	2.9
218.11125	1.6
218.13980	2.8
218.17589	2.9
221.54018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03942	1.7
55.01867	2.0
55.05514	22.5
57.03442	4.5
57.07066	2.4
67.05508	31.1
69.03422	1.2
69.07071	25.8
70.42345	0.7
70.42691	2.1
71.03455	0.7
71.04996	12.3
73.06552	1.8
76.87383	0.7
79.05072	1.3
79.05499	16.1
81.07060	71.1
83.04984	4.9
83.08621	19.3
85.06548	20.5
91.04906	1.0
91.05486	18.3
91.06030	1.6
93.07045	20.5
95.04995	1.4
95.08610	100.0
97.06534	23.1
97.10172	8.2
98.98447	0.8
99.08092	9.1
101.06034	2.1
105.07035	23.4
107.08606	9.5
109.06536	2.9
109.10173	7.9
111.08087	5.2
111.32306	0.8
113.09650	2.8
115.07566	2.3
117.07052	1.3
119.08586	36.2
121.10152	11.3
123.08087	6.9
127.07569	1.7
131.08600	1.1
132.95842	1.1
133.10136	23.6
133.11101	1.4
135.11700	17.0
137.09613	5.1
137.13263	18.0
141.07021	0.8
141.09090	1.7
149.13261	1.1
151.11150	1.6
151.14845	1.2
155.10661	0.8
157.75235	0.7
159.04408	1.1
159.08102	0.8
161.02321	1.6
161.13261	73.5
162.13618	0.8
173.02303	1.3
179.14325	41.3
187.07607	0.9
197.15381	18.0
215.07045	4.0
215.14330	1.7
215.16232	1.1
215.18094	1.3
223.50404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
55.05516	5.0
55.05758	0.4
56.96569	50.2
57.83650	0.4
58.47771	0.4
58.99869	1.4
59.96191	0.4
60.95866	0.7
61.02936	0.9
67.05508	0.5
69.03433	0.7
69.65756	2.6
70.06613	1.5
70.98125	6.2
70.99864	4.2
71.95280	0.9
72.08160	8.6
73.02923	1.0
74.06080	0.5
74.97609	0.6
80.91092	0.4
81.03410	0.5
81.87240	0.4
82.99843	3.2
83.04991	5.5
84.08154	4.2
84.96044	0.8
85.01414	2.8
85.02885	0.4
86.09730	1.4
87.04513	0.8
88.99171	1.3
89.00909	1.1
89.02411	0.7
89.06049	1.5
98.97595	15.9
99.04472	0.4
101.00889	27.6
101.06034	2.5
103.02448	4.8
105.00314	0.5
110.97579	29.7
111.00331	0.8
111.04452	10.8
111.08092	0.5
112.99182	0.9
113.00908	1.9
113.06035	0.6
115.02474	1.9
116.07106	0.6
116.98632	5.7
117.01966	0.9
118.01052	1.6
119.01930	36.6
120.02089	0.5
121.03522	1.6
124.95473	1.0
124.99155	0.6
125.01828	0.7
126.00829	0.5
126.03476	0.7
127.01537	1.5
127.02435	3.1
127.07570	1.4
128.98619	22.1
129.05498	1.9
129.10260	1.6
130.08635	0.6
131.00229	0.7
131.01894	4.3
132.98001	0.5
133.01584	1.3
133.03481	10.3
134.99680	1.4
135.01332	0.5
137.02983	3.9
137.06093	0.5
138.97015	1.3
140.98631	2.9
142.03606	0.5
142.96535	0.6
143.00157	0.9
143.01935	0.5
144.99768	1.0
145.03474	34.4
146.99644	6.2
147.01378	2.1
149.02975	1.5
151.04552	1.3
152.01468	0.6
153.04834	0.5
154.96530	0.5
155.01994	0.5
155.07042	11.8
155.08258	0.8
156.98103	30.4
156.99757	1.1
157.03453	1.5
157.98511	0.8
158.99663	6.5
161.01614	0.4
161.02977	1.7
162.99173	0.8
163.04568	9.4
165.00755	0.6
167.01001	1.0
167.03767	0.4
171.01384	4.1
171.02806	0.6
171.05032	0.7
172.97617	1.4
173.03075	2.5
173.04491	0.4
173.08107	10.6
174.99171	100.0
175.00854	8.8
175.04292	2.1
175.99536	2.3
177.00781	4.3
183.99776	0.5
189.00803	0.8
189.02448	13.9
189.04114	0.9
190.98607	0.8
191.04036	1.6
193.00227	66.8
193.01746	2.5
194.00568	1.0
194.03125	0.5
195.01888	0.8
197.98897	0.5
198.00789	1.8
198.99126	0.9
199.00908	3.4
199.09706	1.2
201.98108	0.4
205.01825	0.9
205.05386	0.4
207.03522	3.5
211.01288	1.9
214.02499	0.5
216.01823	0.9
217.00117	2.8
217.01984	11.3
217.05351	2.2
217.08969	0.9
217.10767	7.3
217.15546	0.7
221.87755	0.4
235.01031	2.2
235.03259	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	214.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80296	0.4
52.29743	0.5
56.96568	100.0
57.03440	0.7
61.02931	1.1
69.03438	0.8
70.02695	1.7
70.06608	1.2
70.98127	2.2
71.95279	1.7
72.96046	2.2
73.02922	1.1
74.97618	0.7
82.98112	0.7
84.08152	0.7
84.96035	7.2
85.02913	1.3
86.97604	0.9
92.98653	0.4
95.65701	0.4
97.02917	0.8
97.99211	1.1
98.97587	6.2
100.65333	0.4
100.99153	32.5
102.96932	1.2
107.04961	0.6
108.96021	0.5
110.07171	0.4
110.97575	23.6
112.95517	1.1
114.96896	0.5
116.98609	2.0
119.00190	6.4
119.01842	0.4
120.97932	0.5
126.97054	12.6
128.98613	22.4
130.96526	0.5
131.00214	0.8
134.99702	0.8
137.01344	0.4
144.98100	17.8
144.99208	0.9
145.32137	0.4
146.99654	17.0
147.03156	0.4
148.97603	0.5
152.00288	0.4
154.96542	2.3
155.04797	0.7
155.54802	1.9
156.03502	0.5
158.99692	1.0
161.98442	0.5
162.99141	8.8
163.00491	0.5
164.55394	0.5
165.00734	11.7
167.99860	0.5
172.97592	13.3
177.00713	0.8
178.03876	0.8
181.00127	0.4
183.01778	3.0
183.45564	0.5
187.04370	0.5
190.98647	33.3
205.00072	0.4
208.99710	33.9
214.00371	0.7
214.03903	0.8
214.07379	0.5
223.01297	0.4
227.00883	1.6
232.01416	0.7
232.05038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95855	2.9
56.96570	100.0
57.03447	5.1
61.02928	22.0
69.03417	5.2
70.06586	2.5
70.17976	5.9
70.18336	6.1
72.08151	3.0
73.02917	12.3
79.96809	2.9
84.96046	5.7
85.02901	11.3
89.11529	2.7
93.43809	2.6
94.02711	3.0
97.02913	7.2
98.21532	3.5
98.97583	10.5
99.03068	2.6
100.99148	31.3
101.00884	9.6
105.58669	3.0
110.97560	19.3
113.29391	3.4
116.98646	3.2
117.95612	2.6
118.30331	2.4
119.00198	9.6
119.01932	15.9
126.97060	8.6
126.98225	2.6
128.02197	2.8
128.98605	23.7
131.01917	7.6
132.33984	2.5
133.03368	3.1
137.67111	2.9
143.01952	6.9
144.98091	18.6
146.99657	16.7
154.96559	3.2
159.03288	3.3
161.02988	7.9
162.99120	13.9
165.00742	14.2
168.99820	4.1
172.97652	7.7
173.02963	3.6
177.02377	4.4
183.01892	3.5
190.98624	30.7
191.03951	4.0
193.05440	5.0
196.03944	2.9
200.04056	5.3
208.99712	35.0
214.04761	5.2
221.05130	4.7
227.00758	3.5
228.90068	2.7
232.10233	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	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
56.96568	100.0
57.03442	2.0
61.02928	2.4
69.03451	1.3
69.07066	3.5
69.81354	2.4
70.06591	3.4
70.98124	11.4
71.95270	2.4
72.96052	1.6
73.02915	1.7
74.97628	1.1
82.01449	0.7
82.99828	3.8
84.08162	2.4
84.96033	6.7
85.02913	2.7
86.03703	0.6
86.09709	61.6
86.97601	1.0
88.99174	2.4
97.02905	1.6
97.06532	6.2
97.99169	0.7
98.97585	17.6
99.97924	0.7
100.02507	2.2
100.98462	1.2
100.99152	29.4
101.00883	29.4
110.01303	0.8
110.97575	24.8
110.98349	1.2
112.95474	0.8
112.99149	2.0
113.00897	1.3
116.98605	5.9
118.03499	4.8
119.00173	6.6
119.01923	50.9
126.97065	8.8
127.03940	1.0
128.02390	1.7
128.98610	20.7
130.03540	1.9
130.96561	0.8
131.00165	3.0
131.01901	4.9
133.01622	1.3
133.03468	1.2
134.99638	1.3
136.04535	0.9
137.02959	10.5
137.06015	1.1
141.53224	0.8
142.03543	1.3
144.05118	1.8
144.08731	1.8
144.98085	17.4
145.03433	1.1
146.99660	15.8
147.00787	1.0
149.01215	2.1
149.02943	1.6
154.03484	2.1
154.96533	2.9
155.05515	1.2
158.99734	1.2
161.02960	1.4
162.09828	1.0
162.99135	6.8
163.02739	1.0
165.00703	9.6
168.01801	1.0
168.08684	5.5
169.02632	0.8
170.01402	0.8
171.99724	0.8
172.02965	1.5
172.04602	2.8
172.94363	0.9
172.97588	18.4
173.02985	2.0
173.06596	2.9
177.00711	0.7
177.02460	1.3
183.01869	2.4
184.03006	1.0
186.09770	47.9
190.98647	37.1
191.02338	1.3
191.04051	2.4
191.07608	1.6
196.08200	2.3
197.06572	3.7
204.10834	11.1
208.99707	29.1
209.11433	0.9
210.33240	0.7
214.00400	0.8
214.03857	2.1
214.05740	1.3
214.09254	26.9
215.07616	3.8
223.01086	0.7
227.00760	1.9
232.10316	60.8
233.08635	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	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.98015	0.8
54.60159	0.8
55.05511	4.7
57.07071	1.4
65.03929	1.0
66.25137	0.8
67.05492	2.8
69.07072	11.3
70.06596	1.4
71.04981	1.9
71.53213	1.0
72.05593	0.7
79.05508	4.2
81.07063	4.6
83.08616	4.1
88.07614	3.1
91.05482	7.1
93.07062	7.4
95.04958	1.8
95.08614	4.0
97.06534	1.8
105.07035	18.1
107.08603	12.6
109.02924	1.1
109.10155	1.4
115.05425	1.4
117.07018	2.2
119.08587	21.8
121.10146	4.7
128.06230	5.2
129.07016	5.9
131.08595	4.1
133.10117	7.3
141.06992	1.9
142.07777	14.0
143.08572	19.2
145.10162	4.5
147.11774	0.8
155.08554	2.1
156.09355	12.3
157.10136	49.3
158.10913	1.6
159.11716	2.4
167.08557	0.9
169.10121	2.1
170.10866	3.9
171.11699	26.9
183.11696	6.7
184.12454	1.6
185.07162	1.6
185.13274	4.6
195.06532	2.0
198.10483	1.0
198.14040	9.5
213.09036	1.9
213.12904	2.8
213.16394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55502	0.4
53.03933	0.6
55.01878	0.7
55.05509	2.7
56.96556	0.8
57.07080	4.1
65.86753	0.4
67.05483	1.5
67.59661	0.5
69.03421	1.0
69.07069	5.2
70.06570	0.7
71.04999	0.5
71.53150	0.8
79.05488	3.9
81.07062	2.9
83.04972	0.7
83.08612	2.2
88.07621	2.0
91.05482	5.0
93.06503	0.6
93.07053	7.2
95.04956	0.9
95.08597	2.0
97.06537	1.1
103.05487	1.2
105.07034	38.8
107.08595	8.2
109.10145	0.7
115.05435	1.0
117.07026	3.0
118.00943	0.5
119.08586	33.0
121.09340	0.7
121.10153	8.1
125.06013	0.6
125.09663	0.7
126.23161	0.6
128.06227	6.4
129.06999	5.9
131.08583	3.2
133.10155	5.5
135.11630	0.9
139.07506	1.1
141.06976	2.9
142.07782	11.3
143.08569	41.3
145.10130	3.7
147.11693	0.6
155.08591	2.4
156.09351	10.9
157.10133	44.1
158.10805	1.1
159.11702	1.6
165.06995	0.7
169.10118	2.9
170.10942	3.6
171.11697	35.8
172.08853	0.6
172.16995	2.5
177.09100	0.6
180.09442	0.8
183.08072	0.9
183.11699	4.2
184.12476	2.0
185.07132	0.7
185.13339	4.8
195.06587	0.9
195.11653	1.1
195.13760	0.7
198.10379	1.5
198.14073	3.5
199.14827	0.9
213.12804	6.8
213.16391	100.0
214.16718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03924	2.5
55.01868	6.7
55.05510	50.1
57.03429	5.7
57.07076	8.6
59.05003	4.9
65.03947	2.4
65.98222	1.3
67.05502	26.9
69.03424	3.8
69.07069	100.0
70.06573	3.7
71.04994	25.5
71.06801	2.9
71.08610	2.2
72.08170	2.1
73.06510	1.7
77.03950	2.1
79.05488	18.4
81.03411	4.7
81.07056	70.8
83.04986	9.3
83.08617	21.8
85.02887	1.9
85.06545	45.9
85.10169	1.5
88.07638	2.8
91.05469	11.1
93.07047	54.3
95.04995	4.0
95.08606	97.4
97.06529	14.9
97.10172	26.5
99.04462	1.8
99.08088	31.9
103.99741	1.6
105.07030	6.8
107.04963	2.2
107.08591	57.5
109.02877	3.4
109.06553	2.2
109.10159	34.9
111.08104	9.0
111.11732	11.6
113.09626	16.0
113.79105	1.7
117.07029	7.5
119.08554	5.2
121.06547	1.5
121.10147	75.7
123.11700	12.1
125.09602	11.2
125.13282	2.4
127.03915	7.7
128.06171	2.0
129.07005	4.0
129.73293	1.5
131.08553	6.8
133.10146	6.2
135.08047	3.1
135.11691	55.4
137.13268	33.5
139.11188	18.4
142.07813	3.2
143.08553	3.1
149.13254	17.7
151.03883	2.6
151.14842	5.8
153.12740	11.2
157.06451	2.7
157.10115	5.8
159.11716	12.3
167.08539	3.1
170.07195	1.9
171.11687	2.3
177.12857	10.5
177.16376	88.2
185.07211	2.6
185.09535	2.1
195.08150	2.2
195.13826	4.6
195.17421	23.1
213.05482	3.3
213.09006	8.3
213.12642	5.5
213.14761	4.4
213.16412	7.1
213.18501	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	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01869	5.4
55.05512	21.4
56.96572	3.3
57.03441	11.7
57.07064	5.3
57.42464	1.4
65.03944	1.9
65.45183	1.4
67.05508	61.2
69.03436	4.1
69.07070	17.3
69.09142	1.5
70.06595	2.4
71.04996	56.0
79.05493	46.3
81.03419	4.4
81.07059	100.0
83.04991	9.1
83.08620	13.4
85.02898	7.0
85.06548	34.2
87.04478	2.1
87.57665	1.4
88.07632	4.0
91.05482	32.4
93.07046	85.5
95.04990	7.3
95.08611	66.2
97.02903	1.6
97.06528	21.0
97.10159	5.3
99.04448	2.9
99.08096	11.4
105.07027	17.5
107.04958	3.9
107.08597	38.4
109.02859	3.5
109.06530	5.2
109.10151	5.8
111.04473	2.4
111.08100	10.7
113.06034	3.7
113.09645	1.9
117.07017	22.0
119.08589	7.7
121.06542	7.7
121.10151	14.4
123.08100	3.3
123.11702	3.3
125.05981	2.0
125.09628	2.2
127.03919	10.5
127.07491	2.4
129.07010	6.9
131.08571	29.2
133.10139	25.5
135.08090	12.2
135.11699	69.7
139.07547	3.8
139.11182	3.9
142.07794	4.9
143.08562	5.3
145.10136	2.2
147.11673	3.8
149.09615	3.1
149.13266	22.9
151.11180	1.7
153.09108	3.5
153.12741	1.8
155.08624	1.5
156.09546	1.6
157.06500	2.1
157.10135	14.7
157.72006	1.4
159.11690	45.2
167.08672	2.3
167.10672	5.2
169.08594	1.7
171.11659	6.2
177.12756	39.1
177.16383	4.8
185.07140	3.0
185.09637	4.5
185.13316	3.1
195.06494	2.5
195.08101	2.8
195.09985	1.8
195.13785	19.4
213.05481	6.8
213.09109	9.0
213.11195	8.7
213.12796	4.8
213.14795	8.0
213.16516	26.0
214.18086	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03956	2.0
55.01874	8.6
55.05515	19.3
56.96588	1.3
57.03443	10.7
57.07087	2.7
65.03967	2.9
67.05509	67.3
69.03453	2.8
69.07073	30.7
70.06602	1.0
70.63476	1.7
70.63835	1.0
71.01369	1.3
71.05000	7.5
71.08642	0.8
73.02907	1.0
79.05075	0.7
79.05496	35.6
81.03435	4.3
81.07059	95.8
83.01361	1.4
83.04977	10.5
83.08624	15.5
85.02905	1.3
85.06550	5.1
88.07634	2.0
91.05488	23.4
93.07048	55.5
94.07351	1.0
95.04993	5.4
95.08614	26.6
97.02877	3.7
97.06535	17.9
97.10172	2.7
99.04453	2.0
99.08098	3.3
103.05489	1.0
105.04509	1.0
105.07034	13.7
107.04989	1.0
107.08598	31.7
109.02946	0.7
109.06529	3.3
109.10163	4.5
111.04482	3.5
111.08083	10.5
111.11661	0.9
113.06071	1.2
113.09629	1.3
117.01865	1.3
117.07026	11.3
119.08577	9.5
121.06525	2.6
121.10143	17.9
123.04433	0.8
123.08080	3.0
123.11729	4.5
125.02359	100.0
125.05943	1.6
125.09636	4.6
127.03934	5.9
127.04768	1.1
128.06242	2.2
129.06996	4.1
131.08582	13.1
133.10139	17.5
135.08058	2.9
135.11694	16.2
139.03911	12.5
139.07521	1.7
139.11153	1.7
142.07770	3.1
143.03407	63.0
143.08546	5.6
145.10115	3.6
147.11664	1.9
148.97374	1.0
149.09627	2.9
149.13266	40.6
151.11119	1.2
153.05458	1.2
153.09094	2.1
156.09378	1.4
157.06503	0.9
157.10130	10.7
159.10493	1.3
159.11717	18.4
163.61098	0.7
166.04877	1.0
167.08524	0.8
167.10706	1.0
167.14317	1.7
171.11684	8.3
177.09044	1.1
177.12755	8.5
185.07219	1.5
185.09602	1.1
185.13257	1.7
195.06511	1.4
195.08333	1.2
195.10150	5.0
195.12119	1.1
195.13844	9.8
213.05403	2.9
213.09099	5.2
213.11157	39.7
213.12755	1.7
213.14722	1.1
213.16425	16.0
231.38943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03937	3.4
55.01867	5.2
55.05516	20.7
57.03436	15.4
57.07066	5.6
65.03941	2.1
67.05508	80.0
69.03394	2.3
69.07074	27.0
70.06586	2.1
71.05000	12.7
71.26086	3.7
79.05072	3.2
79.05498	41.3
81.03435	3.3
81.07062	100.0
83.04977	12.2
83.08624	21.3
83.65179	1.7
85.06524	5.2
88.07620	7.7
91.05485	20.3
93.07046	75.7
95.04967	5.4
95.08608	32.2
97.06538	19.3
97.10159	4.0
99.04484	2.1
99.08096	5.8
105.07031	11.9
107.04971	3.3
107.08596	43.3
109.06516	3.0
109.10155	4.9
111.08093	13.2
113.09579	1.8
117.07030	9.9
119.08574	7.9
121.06561	2.2
121.10141	25.5
123.11702	2.5
125.05978	2.3
125.09650	2.2
127.03928	3.5
128.06206	1.8
129.07010	5.0
131.08580	12.3
133.10158	10.3
135.08102	3.5
135.11708	11.4
139.07576	2.4
139.11217	4.1
141.07007	3.2
142.07799	3.5
143.08574	6.9
149.13266	65.2
156.09323	4.2
157.10159	16.4
159.11700	25.0
170.03625	3.7
171.11723	8.6
172.91046	2.2
177.12735	13.9
177.16394	2.3
185.07114	5.0
185.13283	4.1
195.06464	5.1
195.10156	2.5
195.11882	3.7
195.13823	16.8
198.10349	2.5
213.05354	16.1
213.09055	3.6
213.13040	15.3
213.14926	3.2
213.16481	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	213.1488
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.00315	0.5
53.03938	1.0
55.01608	0.4
55.01874	10.4
55.05513	45.5
56.05824	0.5
56.96572	0.4
57.03446	0.9
57.07063	0.9
58.48053	0.4
59.05000	1.4
65.15857	0.5
67.05507	19.2
69.03428	5.0
69.07072	9.5
70.73309	0.7
70.73653	1.1
71.04996	46.4
79.05496	12.4
79.70369	0.5
81.03470	0.8
81.07061	19.3
83.04976	4.2
83.08622	30.2
85.02913	0.8
85.06544	4.4
87.04470	8.3
91.05484	4.4
93.07047	11.8
95.04990	0.6
95.08609	7.1
97.06535	65.5
97.10172	44.4
98.06815	0.6
101.05981	0.7
101.09666	1.1
105.04468	0.5
105.07051	2.5
107.08600	14.9
109.06557	1.3
109.10162	9.5
111.08080	3.6
113.05981	0.7
116.95877	0.5
116.99700	0.5
117.07025	3.2
119.08569	0.6
121.06515	1.5
121.10170	1.9
125.09637	25.4
127.07526	0.5
129.07014	0.5
131.08595	3.0
132.98061	0.5
133.10127	2.7
135.08058	3.7
135.08954	0.7
135.11703	4.4
139.03447	0.5
143.08562	0.6
143.10690	1.0
147.11684	0.5
149.09569	0.8
149.13254	3.4
151.11139	0.8
153.09093	1.4
159.11679	4.0
165.12715	0.7
167.14334	1.2
171.10196	1.8
171.11595	0.5
177.12764	5.5
189.11223	5.1
195.13820	34.7
212.85468	0.5
213.14857	100.0
214.15289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	4.9
55.01869	5.4
55.05512	21.4
56.96572	3.3
57.03441	11.7
57.07064	5.3
57.42464	1.4
65.03944	1.9
65.45183	1.4
67.05508	61.2
69.03436	4.1
69.07070	17.3
69.09142	1.5
70.06595	2.4
71.04996	56.0
79.05493	46.3
81.03419	4.4
81.07059	100.0
83.04991	9.1
83.08620	13.4
85.02898	7.0
85.06548	34.2
87.04478	2.1
87.57665	1.4
88.07632	4.0
91.05482	32.4
93.07046	85.5
95.04990	7.3
95.08611	66.2
97.02903	1.6
97.06528	21.0
97.10159	5.3
99.04448	2.9
99.08096	11.4
105.07027	17.5
107.04958	3.9
107.08597	38.4
109.02859	3.5
109.06530	5.2
109.10151	5.8
111.04473	2.4
111.08100	10.7
113.06034	3.7
113.09645	1.9
117.07017	22.0
119.08589	7.7
121.06542	7.7
121.10151	14.4
123.08100	3.3
123.11702	3.3
125.05981	2.0
125.09628	2.2
127.03919	10.5
127.07491	2.4
129.07010	6.9
131.08571	29.2
133.10139	25.5
135.08090	12.2
135.11699	69.7
139.07547	3.8
139.11182	3.9
142.07794	4.9
143.08562	5.3
145.10136	2.2
147.11673	3.8
149.09615	3.1
149.13266	22.9
151.11180	1.7
153.09108	3.5
153.12741	1.8
155.08624	1.5
156.09546	1.6
157.06500	2.1
157.10135	14.7
157.72006	1.4
159.11690	45.2
167.08672	2.3
167.10672	5.2
169.08594	1.7
171.11659	6.2
177.12756	39.1
177.16383	4.8
185.07140	3.0
185.09637	4.5
185.13316	3.1
195.06494	2.5
195.08101	2.8
195.09985	1.8
195.13785	19.4
213.05481	6.8
213.09109	9.0
213.11195	8.7
213.12796	4.8
213.14795	8.0
213.16516	26.0
214.18086	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01885	3.7
55.05514	18.6
57.03440	8.4
57.07080	7.7
65.27045	2.7
67.05508	66.5
69.03413	3.5
69.07079	26.2
70.06603	4.5
71.04999	11.6
79.05505	37.4
81.03413	5.7
81.07061	100.0
83.04970	10.1
83.08616	20.5
85.06553	5.6
88.07648	15.4
91.05486	19.9
93.07054	70.9
95.04954	4.9
95.08623	25.1
97.06532	17.8
97.10172	6.7
99.08081	4.6
105.07043	12.0
107.08608	41.1
109.10166	7.6
111.08094	10.4
112.25909	4.3
117.07031	11.9
119.08607	7.7
121.10134	24.3
129.07024	8.7
131.08559	12.8
133.10121	15.6
135.08066	5.2
135.11707	14.4
141.06938	3.3
142.07788	5.7
143.08582	12.4
145.10114	6.7
149.13281	47.7
151.03949	3.5
156.09384	4.5
157.10121	14.5
159.11710	17.4
169.10124	7.0
171.11777	16.9
177.12758	9.6
177.16455	4.9
185.07120	4.1
185.13310	5.8
195.06473	6.5
195.11852	4.2
195.13782	10.7
198.10541	3.8
208.46506	3.2
213.05394	4.2
213.09276	5.1
213.12785	10.7
213.16470	33.2
213.18434	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.93409	0.6
53.03946	0.8
53.26344	0.5
55.05513	17.4
55.80905	0.5
57.03444	1.2
57.07078	8.5
59.03531	0.5
67.05504	3.6
69.03429	1.9
69.07071	4.5
71.05002	1.3
71.29153	1.1
73.05160	0.7
79.05496	4.1
81.07048	5.6
83.04984	10.4
85.06555	5.5
85.18197	0.6
88.07635	1.6
91.05498	4.5
93.07048	13.5
95.04979	1.9
95.08615	12.4
97.06547	4.7
105.07045	7.6
107.04952	0.8
107.08604	21.8
109.06518	5.4
109.10167	3.1
110.77537	0.7
111.04450	100.0
111.08065	3.2
112.53756	0.6
113.06023	2.3
117.07035	2.4
119.08573	3.5
121.06515	3.1
121.10162	2.9
122.07300	1.2
123.08081	0.9
125.06004	31.2
125.09614	0.9
127.07549	3.5
129.07016	0.9
130.07819	1.2
135.08066	13.1
135.11699	23.1
137.05983	0.7
137.13240	1.5
139.07547	4.7
142.07814	1.2
143.08569	3.4
145.10130	20.5
153.12744	5.6
157.10175	4.2
160.53391	0.6
163.11192	27.3
171.11736	3.0
181.12245	61.9
185.07007	0.9
185.13332	1.0
195.06575	0.7
195.12097	1.0
195.13811	4.9
213.13148	3.8
213.14948	1.0
213.16458	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	213.1488
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03945	2.4
55.01867	2.6
55.05518	20.6
57.03446	9.1
57.07064	4.3
65.03920	1.4
67.05510	63.1
69.03427	2.6
69.07076	24.8
70.06563	1.5
70.51891	1.7
71.04993	9.1
71.52402	1.3
71.52777	1.4
79.04471	1.3
79.05499	37.0
81.03413	3.0
81.07061	100.0
83.04991	7.9
83.08163	1.5
83.08627	21.6
85.06530	6.3
87.04472	1.9
88.07652	7.0
91.05487	23.2
93.07050	59.5
93.07639	3.0
95.04958	4.8
95.08608	27.0
97.06539	18.6
97.10159	2.8
99.08089	4.4
105.07024	9.8
107.04942	2.3
107.08598	33.6
109.06504	4.1
109.10133	4.1
111.08100	9.4
113.09633	2.8
115.05487	1.9
117.07027	11.2
119.08583	4.0
121.06509	2.5
121.10147	17.0
123.08079	1.6
123.11691	5.2
125.09641	1.5
127.03913	3.8
128.06157	2.0
129.07019	3.8
131.08580	11.8
133.10158	15.3
135.08087	2.5
135.11697	17.0
139.05472	1.5
141.06935	1.7
142.07761	2.2
143.08563	4.6
145.10146	2.8
147.11642	1.5
149.13258	41.4
151.11174	2.2
156.09309	2.2
157.10127	11.6
159.11716	20.7
167.14307	2.0
170.10866	1.6
171.11685	7.5
177.12709	10.2
177.16359	3.2
185.07156	2.3
185.09631	1.8
185.13286	2.1
195.06491	3.5
195.13814	12.3
213.05511	5.8
213.09117	5.7
213.12758	5.8
213.14745	3.4
213.16443	19.3
214.18105	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	213.1123
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
53.03952	1.2
55.01872	6.0
55.05517	6.7
56.96576	0.9
57.03440	4.0
57.07088	1.3
59.05004	1.0
65.03945	1.0
67.05508	17.4
68.99828	0.5
69.03438	3.0
69.07071	13.8
69.79126	1.1
69.79539	1.6
70.06612	0.6
71.01363	1.3
71.04992	2.9
71.08632	0.5
71.10490	0.4
73.02937	0.7
79.05501	12.2
81.03437	1.8
81.07064	27.1
81.88869	0.4
83.01363	0.7
83.04988	4.1
83.08636	4.8
85.02899	0.8
85.06559	1.4
87.04478	0.8
88.07655	1.4
91.05489	7.3
93.07050	16.8
95.04975	1.5
95.08616	7.3
97.02891	4.2
97.06525	5.9
97.10188	1.4
99.04473	1.1
99.08112	1.1
101.02397	0.7
102.76594	0.5
105.04559	0.5
105.06324	0.9
105.07030	11.9
105.07700	0.9
107.04965	0.8
107.08598	11.1
109.02888	1.1
109.06544	1.1
109.10165	1.7
111.04446	2.9
111.08099	3.6
113.02372	0.9
113.06060	0.5
117.01900	1.1
117.07050	2.8
119.08582	11.0
119.09374	0.9
121.06523	0.9
121.10143	7.6
123.04431	0.5
123.08078	1.3
123.11731	1.2
125.02361	100.0
125.09630	3.4
127.03925	7.1
128.06255	1.2
129.07025	1.6
131.08588	5.1
133.10150	4.7
135.08083	1.6
135.11707	3.4
139.02814	0.7
139.03905	11.0
140.76001	0.4
141.06990	0.7
141.09105	0.8
142.07814	2.5
143.03404	64.8
143.08536	4.2
145.10115	1.7
149.09628	2.0
149.13263	9.7
151.07509	0.8
153.05525	0.8
153.09142	1.3
155.06960	0.5
156.09351	2.0
157.10149	9.3
159.08051	0.7
159.11702	4.5
166.04967	1.0
167.08502	0.7
167.10686	1.0
167.14290	0.9
171.11681	6.7
177.09076	1.9
177.12717	2.0
177.16348	1.0
185.07083	1.6
185.09657	1.3
185.13242	1.4
195.06448	1.0
195.08232	0.9
195.10172	4.8
195.11774	0.8
195.13841	3.8
195.15546	0.7
198.10402	0.5
199.54005	0.5
213.05402	1.6
213.09163	3.1
213.11183	38.0
213.12746	1.5
213.16393	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.34942	2.0
53.03934	6.3
55.01858	4.5
55.05522	20.2
56.93346	2.0
56.96556	3.0
57.03450	12.8
57.07064	6.3
65.03941	2.9
67.05511	72.6
69.07069	31.2
71.01357	2.8
71.04980	7.5
79.05079	2.9
79.05502	40.9
80.11163	2.3
81.03442	2.4
81.07063	100.0
83.04977	8.9
83.08624	22.1
85.06531	6.5
88.07612	7.4
91.05479	23.8
93.07049	66.0
95.04967	5.8
95.08614	25.5
97.06550	18.3
97.10155	4.8
99.04465	2.3
99.08080	4.2
105.06519	1.7
105.07046	21.0
107.08601	38.8
109.06509	4.4
109.10197	4.8
111.08097	10.4
117.07033	13.4
119.08579	13.6
121.06522	4.9
121.10159	23.5
123.11684	3.2
125.09571	3.4
127.12598	2.0
129.07007	8.8
130.07848	2.5
131.08615	13.9
133.10144	14.4
135.11722	17.6
137.05974	18.4
139.07541	4.0
142.07726	3.2
143.08585	12.6
145.10130	6.4
149.12193	3.6
149.13277	41.8
153.09189	2.4
155.08588	2.8
156.09377	3.2
157.10165	17.8
159.11713	22.8
167.14351	2.3
170.10966	2.3
171.11736	17.7
177.12808	10.1
177.16406	3.1
181.58575	9.6
185.07103	4.1
190.59116	2.4
193.09412	2.7
195.11955	2.8
195.13802	17.3
213.09221	3.3
213.12737	7.8
213.16504	32.3
214.25359	2.8
226.11110	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	213.0759
Annotation	Danielone
Peak:m/z	Relative Intensity
53.03936	3.0
53.07407	0.6
55.01867	2.0
55.05504	1.3
56.96552	2.3
57.03424	1.4
63.99725	0.6
65.03958	1.8
65.94514	0.6
67.05499	2.9
68.52442	0.7
69.03439	1.4
69.07066	1.9
69.64424	3.1
69.64824	1.6
70.06595	16.9
71.04985	0.6
72.08139	1.6
73.02923	1.1
77.03909	0.9
78.04736	1.5
79.05504	9.7
81.03434	1.6
81.07049	2.4
83.04976	1.2
83.08618	1.1
84.08143	3.2
86.09702	6.7
87.10059	0.7
88.07626	1.5
88.95284	0.8
89.03880	1.1
91.05479	1.7
93.03432	1.3
93.07038	3.1
95.04977	8.4
95.06133	0.7
95.08615	2.0
97.02892	2.3
97.06522	1.8
98.97585	2.5
99.04461	1.2
105.03383	0.9
105.04507	1.8
105.07066	1.2
106.04133	0.9
107.04963	64.2
107.08606	2.7
109.02886	1.2
111.04439	1.7
111.08110	1.3
114.05471	1.0
116.07086	2.6
116.98602	1.2
121.06498	0.9
121.10136	2.5
122.06033	0.9
123.04441	14.0
125.02332	4.7
125.06004	1.7
127.03879	1.4
129.10249	1.1
130.10626	1.0
130.96317	2.9
131.08606	0.9
133.02905	1.1
134.03687	1.1
135.04430	20.3
137.05997	4.2
137.09616	1.0
138.03131	3.1
139.03888	1.6
140.04694	100.0
143.01913	1.7
145.03975	4.3
148.97372	2.8
149.09636	3.3
151.03896	1.9
151.07549	1.2
152.04706	2.0
153.05479	24.9
155.07039	67.3
157.10158	1.0
161.02974	1.8
163.03915	55.3
167.03400	2.6
167.07057	24.5
167.08382	0.8
173.08153	4.0
177.09123	1.7
177.16309	0.9
181.04871	1.2
185.09570	1.0
189.66278	0.8
189.97664	1.8
192.06354	1.3
195.06529	13.1
195.08118	1.1
195.10172	2.1
207.98703	1.0
213.02287	0.9
213.05580	1.7
213.07562	14.6
213.09210	1.5
213.12453	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	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03949	4.2
53.42640	1.1
55.01870	2.0
55.05510	5.8
56.96569	7.3
57.03426	2.0
57.07071	2.0
61.02937	8.1
61.04048	1.4
62.04675	1.0
65.03940	7.8
67.05511	9.2
69.03431	3.4
69.07072	3.6
70.06596	32.4
70.94256	1.6
71.05013	1.9
71.51756	2.2
72.08157	14.9
72.93838	1.3
73.02925	2.1
79.05490	18.8
79.05923	1.7
81.03432	2.8
81.07060	8.9
83.08621	2.3
84.08163	2.6
85.02914	2.9
86.09716	20.9
88.07636	4.4
91.05495	5.5
93.03402	8.7
93.07044	5.6
95.04974	8.5
95.08600	2.9
97.02890	3.0
97.06533	4.5
98.97575	5.7
99.04471	1.5
100.02239	1.2
100.09439	1.2
105.03390	3.0
105.07021	1.7
107.04960	25.8
107.08591	5.6
108.02093	3.5
109.02881	3.5
109.06509	6.0
109.10159	7.2
110.03667	19.5
110.07183	2.9
111.04443	12.8
113.06019	1.2
116.07108	4.7
116.98677	2.5
117.03390	2.1
119.01875	2.6
119.04935	3.5
121.06522	11.9
121.10151	4.3
122.03657	3.5
123.04445	2.7
123.08056	1.5
124.05154	1.4
125.05997	66.4
125.09606	2.9
127.03926	2.7
127.07594	1.7
128.02292	2.8
128.98654	1.4
129.07002	1.6
130.96320	7.4
133.02858	10.0
134.99660	1.5
135.04420	27.9
135.08080	1.7
135.11725	4.2
137.02866	1.2
137.05968	5.6
139.03903	1.8
139.05455	2.3
140.04681	1.5
141.05495	4.2
145.09990	2.2
146.99648	1.4
148.97371	11.1
149.05984	24.0
149.09627	3.5
150.03136	10.7
151.03920	100.0
151.05042	11.2
153.05473	20.9
153.09178	1.3
157.04994	2.0
157.06491	2.3
158.99728	1.3
162.03181	1.7
163.03902	9.6
165.05479	41.0
167.03427	2.2
167.07060	23.6
167.08479	1.7
167.10710	1.8
169.07549	2.1
177.05476	21.7
177.09117	1.6
177.16379	1.9
181.09084	1.4
183.73122	1.3
185.05917	3.4
185.16469	2.3
189.97652	5.7
195.04770	2.2
195.06511	21.2
195.08200	2.5
207.98703	2.4
213.05501	23.6
213.07596	14.4
213.09470	2.8
213.12708	7.3
213.16200	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03959	2.1
55.01876	12.6
55.05514	28.2
56.96570	3.8
57.03441	9.8
57.07074	3.3
59.05000	1.5
60.48479	0.6
65.03953	2.0
65.92065	0.6
66.04692	0.7
67.05509	54.4
69.03436	7.2
69.07072	26.9
71.04998	13.2
71.08636	1.9
71.52253	1.0
79.05496	32.1
79.35139	0.7
81.02930	1.1
81.03423	25.5
81.07060	100.0
82.07385	0.6
82.16116	0.6
83.04987	27.0
83.08625	21.1
84.96013	0.7
85.02907	1.8
85.06549	16.2
91.05484	48.3
93.07047	34.9
95.04973	18.3
95.08613	52.4
97.02908	1.6
97.06537	21.4
97.10170	5.2
97.99207	1.6
99.04445	1.4
99.08099	9.3
101.06017	1.2
105.06306	1.4
105.07036	47.9
107.04966	3.8
107.08598	36.8
109.06518	17.2
109.10163	67.3
111.04440	3.4
111.08087	29.8
111.11691	0.7
113.06013	5.5
113.09673	2.0
115.05446	1.7
115.07565	0.9
116.00259	1.3
117.07019	2.4
119.04945	1.3
119.08586	65.6
120.08958	0.7
121.06520	2.0
121.10149	35.0
122.07350	1.0
123.04443	1.3
123.08076	31.7
123.11711	34.4
125.06014	1.3
125.09631	11.2
127.07543	2.3
127.11194	2.8
128.06140	1.1
129.07010	12.0
131.08589	8.2
133.06497	2.2
133.10136	34.9
135.08081	1.6
135.11700	40.2
137.06033	0.9
137.09624	55.1
137.13228	4.8
137.57307	0.7
138.10445	4.4
139.11160	3.7
141.06996	1.0
141.09076	2.2
142.07750	4.1
145.10129	2.6
147.08040	3.3
147.11694	80.6
149.09627	8.1
149.13258	11.7
151.03876	1.3
151.07585	1.9
151.11160	5.3
151.14803	6.9
153.06947	0.8
153.12767	8.6
155.08516	2.2
157.10138	25.8
163.11221	1.5
165.06970	0.7
165.09087	1.0
165.12758	26.6
165.16425	2.3
167.07008	2.8
167.08434	1.2
167.10692	2.4
167.14316	1.3
168.08084	2.2
169.08821	0.9
169.10126	2.0
175.11206	26.4
175.14838	40.5
178.13531	0.7
179.07033	1.1
181.10019	1.3
182.10977	1.0
183.08069	1.7
183.11688	1.0
188.02081	0.7
193.12244	20.8
193.15884	25.6
199.58792	0.7
211.05791	0.7
211.07602	2.2
211.09497	0.9
211.11244	1.7
211.13268	8.5
211.14931	3.3
211.16896	30.7
212.14317	0.8
229.14371	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	212.1184
Annotation	Trp-P-1
Peak:m/z	Relative Intensity
55.01889	0.4
55.05518	0.5
65.01868	0.3
65.03915	0.3
65.94667	0.3
67.05519	0.3
68.05840	0.3
69.03455	0.6
69.07091	0.3
70.06599	0.9
71.51836	0.4
77.03556	0.5
77.03958	1.3
79.05510	0.5
80.05045	0.4
81.03445	0.6
81.07070	0.5
83.04986	0.7
83.08626	0.5
83.46125	0.3
84.08951	0.5
85.02866	0.5
86.06071	0.7
86.09754	0.4
87.04465	0.3
91.05497	0.4
92.05012	7.0
93.07052	0.4
94.06577	44.5
95.04971	2.2
95.06898	0.3
96.08160	0.5
97.02900	0.5
97.06574	0.4
97.97947	0.3
98.97620	0.4
105.04539	1.3
105.07043	0.4
107.08575	0.4
110.06047	0.5
119.06077	68.9
120.06429	0.7
120.08910	0.5
126.09982	0.4
127.03873	0.4
136.07622	0.6
148.11981	0.4
152.07056	0.4
166.08618	0.8
176.11607	0.4
194.08163	0.8
194.12645	0.7
194.15396	0.7
195.09193	18.0
212.11839	100.0
213.12148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	4.1
55.01865	3.3
55.05272	1.8
55.05514	24.6
55.51291	1.1
56.96560	1.6
57.03439	6.3
57.07062	5.5
59.04753	1.3
59.05003	15.7
64.77306	1.3
65.03938	1.4
67.05506	21.2
68.65842	1.4
69.03411	4.7
69.07072	32.1
69.55598	6.0
69.56007	3.1
71.04996	66.5
73.06553	2.0
79.05492	21.0
81.02944	1.2
81.03422	30.8
81.07059	52.1
83.04984	16.5
83.08624	25.4
85.06547	18.4
91.05486	15.6
93.07048	44.2
93.07638	2.2
95.04991	12.5
95.08609	54.1
96.74037	1.3
97.02879	1.7
97.06536	27.1
97.10174	6.3
97.99171	1.4
98.20799	2.3
99.03844	1.9
99.04463	22.6
99.08103	13.8
105.07037	19.5
105.56403	1.2
107.04942	2.7
107.08601	42.0
109.06520	6.4
109.10154	30.0
111.04397	2.1
111.08089	8.1
113.06051	2.0
113.09645	2.8
113.71515	1.2
115.07568	26.1
119.08586	42.3
120.28955	1.2
121.10152	22.5
121.10951	2.5
123.08080	9.8
123.11711	65.3
125.09668	5.9
127.07542	4.5
129.07007	3.3
131.08556	3.5
133.10139	48.9
135.11697	100.0
137.09627	11.3
137.13231	2.6
141.09128	7.7
141.12764	9.0
141.87347	1.2
147.11696	12.4
149.09631	2.8
149.13239	10.0
151.07629	1.4
151.11163	1.3
153.12761	20.5
155.10660	5.8
157.10133	5.4
165.12769	2.0
167.07181	1.3
167.14276	3.1
169.80289	1.3
175.11301	7.3
175.14838	70.6
193.12227	15.5
193.15889	23.0
211.07640	1.7
211.13484	8.9
211.16934	78.2
232.94652	1.2
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
51.67852	2.0
52.09568	2.0
53.03952	3.2
53.52298	2.2
55.01871	9.1
55.05510	31.8
56.05828	6.5
56.96559	4.8
57.03423	6.7
57.07076	6.0
58.19912	2.3
59.05013	2.7
67.05510	31.8
67.29562	2.3
69.03421	4.0
69.07072	29.7
69.61365	2.3
69.67082	4.6
69.67475	7.2
70.13809	2.1
71.04993	19.5
74.54541	2.0
79.05506	17.7
81.03415	20.1
81.07063	31.5
82.51176	2.6
83.04987	17.4
83.08630	16.0
84.08980	4.9
85.06550	64.2
87.63643	2.4
91.05476	19.8
93.07050	44.7
95.04964	18.1
95.08611	36.1
97.06531	9.0
97.10192	3.2
98.21564	2.2
98.97581	2.0
99.08099	25.4
100.07641	3.7
100.11255	6.0
101.07915	3.4
101.11586	3.9
105.07034	16.8
107.08601	50.7
109.06508	5.1
109.10159	81.5
111.04453	5.0
111.08094	14.3
112.04805	2.7
113.05998	5.9
119.08585	26.3
121.10190	11.2
123.08061	6.7
123.11708	12.9
125.09608	3.2
127.11240	5.4
131.08536	4.3
133.10156	31.0
135.11700	100.0
137.09668	11.8
139.11174	2.6
147.08104	2.7
147.11707	10.0
149.09636	3.1
149.13277	28.2
151.11212	2.9
151.14830	6.7
153.12761	62.1
155.08513	2.4
155.10660	3.9
157.10168	5.1
165.05508	2.7
167.07005	3.1
167.14363	5.8
175.11214	6.4
175.14827	33.9
183.15752	22.4
193.12291	10.4
193.15927	8.9
209.33328	2.2
211.07567	7.0
211.09438	2.6
211.13274	8.1
211.15150	12.9
211.16953	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.1
55.01876	12.6
55.05514	28.2
56.96570	3.8
57.03441	9.8
57.07074	3.3
59.05000	1.5
60.48479	0.6
65.03953	2.0
65.92065	0.6
66.04692	0.7
67.05509	54.4
69.03436	7.2
69.07072	26.9
71.04998	13.2
71.08636	1.9
71.52253	1.0
79.05496	32.1
79.35139	0.7
81.02930	1.1
81.03423	25.5
81.07060	100.0
82.07385	0.6
82.16116	0.6
83.04987	27.0
83.08625	21.1
84.96013	0.7
85.02907	1.8
85.06549	16.2
91.05484	48.3
93.07047	34.9
95.04973	18.3
95.08613	52.4
97.02908	1.6
97.06537	21.4
97.10170	5.2
97.99207	1.6
99.04445	1.4
99.08099	9.3
101.06017	1.2
105.06306	1.4
105.07036	47.9
107.04966	3.8
107.08598	36.8
109.06518	17.2
109.10163	67.3
111.04440	3.4
111.08087	29.8
111.11691	0.7
113.06013	5.5
113.09673	2.0
115.05446	1.7
115.07565	0.9
116.00259	1.3
117.07019	2.4
119.04945	1.3
119.08586	65.6
120.08958	0.7
121.06520	2.0
121.10149	35.0
122.07350	1.0
123.04443	1.3
123.08076	31.7
123.11711	34.4
125.06014	1.3
125.09631	11.2
127.07543	2.3
127.11194	2.8
128.06140	1.1
129.07010	12.0
131.08589	8.2
133.06497	2.2
133.10136	34.9
135.08081	1.6
135.11700	40.2
137.06033	0.9
137.09624	55.1
137.13228	4.8
137.57307	0.7
138.10445	4.4
139.11160	3.7
141.06996	1.0
141.09076	2.2
142.07750	4.1
145.10129	2.6
147.08040	3.3
147.11694	80.6
149.09627	8.1
149.13258	11.7
151.03876	1.3
151.07585	1.9
151.11160	5.3
151.14803	6.9
153.06947	0.8
153.12767	8.6
155.08516	2.2
157.10138	25.8
163.11221	1.5
165.06970	0.7
165.09087	1.0
165.12758	26.6
165.16425	2.3
167.07008	2.8
167.08434	1.2
167.10692	2.4
167.14316	1.3
168.08084	2.2
169.08821	0.9
169.10126	2.0
175.11206	26.4
175.14838	40.5
178.13531	0.7
179.07033	1.1
181.10019	1.3
182.10977	1.0
183.08069	1.7
183.11688	1.0
188.02081	0.7
193.12244	20.8
193.15884	25.6
199.58792	0.7
211.05791	0.7
211.07602	2.2
211.09497	0.9
211.11244	1.7
211.13268	8.5
211.14931	3.3
211.16896	30.7
212.14317	0.8
229.14371	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03955	4.4
55.01875	5.7
55.05514	42.1
57.03447	8.4
65.03933	3.0
67.05508	30.7
69.03436	9.5
69.07068	12.7
69.47197	6.8
71.01361	1.8
71.04998	7.9
79.05499	30.4
81.03422	100.0
81.07062	40.1
81.35912	1.0
83.04985	51.2
83.08624	35.9
85.06537	4.0
85.56879	0.9
87.04477	1.4
91.05486	33.2
93.07047	19.2
95.04379	2.0
95.04972	38.0
95.08616	14.3
97.02892	4.1
97.06516	5.1
97.10164	8.9
99.04458	1.6
99.08094	1.5
105.04494	1.4
105.06329	1.2
105.07034	23.5
107.04972	7.2
107.08599	9.1
108.40823	0.9
109.06540	7.1
109.10164	4.2
111.04445	2.5
111.07381	1.4
111.08078	15.2
113.05993	2.4
115.05454	1.2
117.06982	1.9
119.08587	20.8
121.06521	2.8
121.10159	8.6
123.04392	1.1
123.08055	3.9
123.11729	1.0
125.09641	3.3
127.07536	1.0
129.07030	14.3
131.08582	14.4
133.06499	5.1
133.10144	12.3
135.11668	1.6
137.09625	3.1
140.43779	1.0
142.07791	4.4
145.10123	1.5
147.08052	4.2
147.11691	18.3
149.09633	7.8
150.10544	1.0
157.10139	17.7
159.06052	0.9
165.12767	4.3
167.07025	1.0
175.11188	19.3
175.14825	1.0
193.12253	57.7
211.07591	1.6
211.13290	33.6
211.16481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03937	3.3
55.01875	5.9
55.05518	36.0
56.96566	1.4
57.03445	8.9
57.07063	1.1
59.04986	1.3
59.09174	0.9
67.05146	0.8
67.05511	28.3
69.03431	7.7
69.07079	10.4
69.79198	5.1
71.04991	6.8
79.05499	26.0
81.03424	100.0
81.07064	36.6
82.64736	0.9
83.04988	46.1
83.08626	30.9
85.06529	3.6
91.05488	29.9
93.07050	19.3
95.04394	1.6
95.04980	32.7
95.08614	12.7
97.02896	3.7
97.06535	5.9
97.10191	7.6
98.20824	1.1
99.08086	1.9
105.07035	21.1
107.04986	6.2
107.08607	8.6
109.06511	5.4
109.10139	2.9
111.04410	1.7
111.08099	13.9
115.05482	1.9
117.07009	1.6
119.04920	1.1
119.08590	20.5
121.06514	1.1
121.10135	7.9
123.08100	4.4
123.11703	1.2
125.09615	2.1
129.07008	11.4
131.08571	12.3
133.06479	4.3
133.10156	11.8
137.09578	3.5
142.07733	2.3
145.10098	1.6
147.08015	4.0
147.11710	16.6
148.11874	0.9
149.09637	7.3
151.11217	1.6
157.08998	1.1
157.10162	16.5
165.12753	3.4
169.10081	1.8
175.11209	21.0
175.14833	1.3
191.53355	1.0
193.12265	54.2
211.11330	1.0
211.13257	26.7
211.14835	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.04245	1.2
53.03949	5.7
53.41473	1.2
53.94315	1.4
55.01870	11.0
55.05513	42.8
56.43616	1.1
56.96552	1.3
57.03428	8.2
57.07065	1.4
59.04976	2.0
65.03941	1.8
67.05506	30.1
69.03429	11.1
69.07067	10.2
70.30394	3.7
71.01349	2.5
71.04990	9.0
72.13682	1.1
73.02927	1.1
73.41235	1.0
74.89751	1.1
79.05499	31.4
81.03420	100.0
81.06597	2.6
81.07058	41.3
83.04980	43.1
83.08617	34.1
84.08175	1.3
85.02897	1.2
85.06530	4.5
87.04446	1.5
91.05484	34.6
93.07044	16.4
95.04386	2.2
95.04972	35.0
95.08604	15.0
97.02879	3.6
97.06535	36.4
97.10188	8.4
99.08083	1.8
105.07027	22.1
107.04949	8.3
107.08601	11.5
109.06528	8.3
109.10130	3.8
111.04427	3.8
111.08089	15.0
115.05463	2.2
117.07001	1.5
119.08581	23.2
121.06519	1.7
121.10156	9.9
123.08043	5.0
123.11688	1.9
125.09640	2.9
127.07597	2.2
129.07001	14.0
131.08575	13.5
133.06479	4.1
133.10144	15.9
135.11667	1.6
137.09601	5.3
140.94081	1.1
142.07750	3.5
145.10083	1.4
147.08029	3.6
147.11684	16.6
147.49957	1.1
149.09653	8.2
151.11218	2.0
157.10136	20.1
165.12752	5.8
173.20207	1.5
175.11180	23.9
193.12253	60.0
211.07576	2.6
211.13268	33.7
224.10915	1.2
232.23944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.76052	1.0
53.03949	4.6
55.01883	5.7
55.05512	39.7
56.33273	1.0
57.03445	8.8
59.04987	1.6
65.03941	1.8
67.05178	2.1
67.05508	24.9
69.03423	8.1
69.07062	13.7
70.11440	4.7
71.01365	1.1
71.04988	4.0
78.12736	1.2
79.05498	30.5
81.03421	100.0
81.07059	35.0
82.97367	1.1
83.04983	48.8
83.08621	35.3
83.09125	1.4
85.02905	1.6
85.06562	2.4
91.05485	32.7
92.02057	1.1
93.07048	16.3
95.04971	34.0
95.08610	10.3
97.02901	4.3
97.06528	4.8
97.10178	8.0
98.82929	1.1
99.08107	1.6
105.07031	21.0
107.04964	5.8
107.08607	7.5
109.06494	5.7
109.10152	2.1
111.04447	2.6
111.08092	11.8
115.05473	1.3
117.07075	1.9
119.08595	15.5
121.06526	2.0
121.10133	7.3
123.08117	1.9
125.09640	2.3
129.07018	10.4
131.08591	14.5
132.56564	1.2
133.06503	3.2
133.10138	11.4
137.09604	1.7
142.07759	3.2
145.10139	1.4
147.08089	3.7
147.11688	16.9
149.09619	6.2
151.55165	1.1
157.10141	17.1
165.12750	3.6
175.11195	17.0
193.12250	45.6
196.02954	1.2
211.13275	23.1
211.15007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03938	3.1
55.01876	16.1
55.05517	12.7
57.03428	1.9
62.90836	0.6
65.03957	3.9
67.05509	32.4
69.03436	19.2
69.07066	3.1
69.46913	1.7
69.47327	2.7
71.01362	7.2
71.04984	2.5
73.27475	0.6
77.03925	1.1
79.05502	12.1
81.02991	0.8
81.03427	9.5
81.07062	18.6
83.01347	4.6
83.04983	6.6
83.08598	2.8
85.02905	1.3
85.06555	1.2
87.04449	1.2
91.04922	1.2
91.05485	18.2
93.03397	3.2
93.07052	11.0
95.04974	46.8
95.08614	15.5
97.02887	2.0
97.06532	3.1
97.10173	0.9
99.04433	1.3
101.02390	2.9
103.05503	1.2
105.03391	2.1
105.04530	0.7
105.07037	9.5
107.04332	0.8
107.04976	4.0
107.08604	6.4
109.02870	3.5
109.06542	5.0
109.10156	4.0
111.04437	4.1
111.08090	1.8
113.02401	4.3
113.06041	0.9
117.01854	2.9
117.07002	2.7
118.04140	0.8
119.04939	1.2
119.08597	13.7
121.06518	6.9
121.10112	1.8
123.04436	33.4
123.08064	6.7
123.11674	2.1
125.02372	10.8
125.09606	1.0
127.03925	1.5
128.06155	0.8
129.07007	7.1
131.08572	2.6
132.05670	1.0
133.02846	4.3
133.06496	2.4
133.10146	5.5
135.08060	4.4
135.11690	1.6
137.05959	1.9
137.09604	2.4
138.03171	0.9
139.03897	7.3
142.07742	1.2
143.03378	4.5
147.08057	9.0
147.11708	4.6
149.05995	0.7
149.09634	1.1
151.03914	74.2
151.07547	1.7
151.11160	3.1
155.03455	3.4
155.08429	0.9
157.06479	2.0
157.10106	2.4
165.05522	0.7
165.09140	4.9
165.12747	2.5
169.04973	38.3
169.10106	1.2
175.07600	3.5
175.11127	3.5
175.14815	1.3
181.10172	1.1
193.08618	26.2
193.12239	4.9
193.15836	1.2
196.12492	1.1
211.09666	100.0
211.13106	2.6
211.14908	3.0
212.10088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03945	6.2
55.01877	17.1
55.05279	1.7
55.05515	18.7
56.96572	6.3
57.02729	1.0
57.03439	5.3
57.07051	3.9
59.04985	1.4
59.99840	0.9
65.03941	5.4
67.05510	35.8
69.03094	1.1
69.03437	20.3
69.06744	1.1
69.07073	15.1
69.92662	2.3
69.93066	3.5
70.06569	1.2
71.01356	8.4
71.04998	5.6
71.08627	1.2
77.03925	1.2
79.05066	1.5
79.05492	17.0
81.02938	1.4
81.03422	28.7
81.06603	1.8
81.07059	33.8
83.01337	7.1
83.04987	15.3
83.08624	14.6
85.02911	1.3
85.06548	6.5
87.04475	1.1
88.69464	1.1
90.34184	0.9
91.05483	19.8
93.03398	3.9
93.07046	15.3
95.04974	49.2
95.08612	26.3
97.02872	4.4
97.06529	4.7
97.10161	6.4
97.99145	3.4
99.04443	3.0
99.08073	4.3
101.02364	4.3
101.49053	1.0
103.05472	1.1
105.03391	2.5
105.04510	2.5
105.07037	11.1
107.04942	4.3
107.08607	7.9
109.02909	5.0
109.06513	8.2
109.10160	13.3
111.04443	2.7
111.08083	6.0
111.11710	2.5
113.02354	4.1
117.01855	3.7
117.06980	2.9
119.04917	2.1
119.07841	1.1
119.08597	15.4
121.06516	6.9
121.10140	3.6
123.04436	37.8
123.08080	10.9
123.11705	13.9
125.02364	12.1
125.09612	1.9
127.03883	1.9
128.06215	2.2
129.07014	8.9
131.08562	3.5
133.02844	3.9
133.06490	2.7
133.10150	6.2
135.11690	3.7
137.05977	2.7
137.09619	6.2
137.13239	3.4
139.03912	6.2
141.06900	1.0
141.09146	1.6
143.03387	4.6
147.08070	9.8
147.11702	6.0
149.05951	1.0
149.09625	1.1
150.03105	1.1
151.03908	71.7
151.07436	2.4
151.11145	4.3
155.03374	3.3
155.07121	0.9
155.08530	3.3
157.06490	2.8
157.10100	4.6
165.05460	1.5
165.09142	8.7
165.12836	1.6
167.07120	1.5
167.08470	1.4
168.09290	2.2
169.03555	1.9
169.04979	33.2
169.10130	6.0
169.12196	1.6
174.52592	1.1
175.07500	4.3
175.11212	4.7
175.14857	1.8
179.10683	3.5
181.10030	1.3
183.06435	1.2
183.11678	2.6
193.08615	34.0
193.12225	12.3
193.15891	2.3
196.08827	1.2
196.12436	3.2
211.07747	4.6
211.09636	100.0
211.13138	6.1
211.15001	10.5
211.16710	1.9
211.20583	3.1
212.10063	1.5
230.16565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17813	2.0
55.01858	1.7
55.05477	6.2
56.96556	4.7
57.03439	88.6
67.05503	14.2
68.05013	2.3
69.07040	4.7
70.06545	7.7
71.52864	2.6
71.53274	2.2
79.05454	5.9
80.04984	5.0
81.03379	7.7
81.07046	9.5
83.04940	4.3
83.08578	3.2
87.41069	1.8
91.05435	6.8
93.05717	2.0
93.06986	5.4
94.06564	32.2
95.04919	3.1
95.06103	21.9
95.08565	4.0
97.06492	3.0
101.06020	100.0
105.06979	5.9
107.07327	10.4
107.08556	3.8
108.08056	7.8
108.08845	5.0
109.06445	3.5
110.06007	2.7
110.06797	2.7
110.09657	3.2
111.08009	2.8
112.07536	6.3
112.08680	2.0
119.08550	4.2
120.08092	2.0
124.07516	2.4
124.11996	3.1
131.08614	2.3
133.10033	2.8
136.11221	66.1
136.12161	2.6
145.96620	2.7
151.75644	2.0
152.10582	8.8
153.10974	1.9
154.12271	99.7
155.08463	2.8
162.09062	2.7
163.09821	4.3
163.12215	8.5
163.97652	3.4
164.06966	3.4
169.10020	6.9
181.10052	3.3
182.10698	2.1
183.11664	2.6
192.06546	2.8
192.13768	16.4
193.11841	2.4
193.13329	6.7
210.07487	4.5
210.11140	5.3
210.14766	86.9
211.14876	16.9
222.39510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03131	33.7
75.13250	17.0
87.78375	16.3
94.93063	24.1
101.84264	16.8
112.89616	76.4
113.50399	17.5
119.77223	15.4
137.05659	14.9
173.43082	17.4
208.25696	15.1
210.94090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74428	10.7
56.96579	10.5
70.17445	42.1
78.88308	10.3
94.47411	11.3
94.93017	18.5
98.97592	16.3
113.10387	12.1
115.26102	10.8
129.02968	11.6
210.94060	100.0
232.77135	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	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91460	0.4
53.03960	2.0
55.01862	1.4
55.05511	1.8
56.96347	0.4
56.96569	4.9
57.01509	0.3
57.03431	1.0
57.07050	0.5
60.18721	0.4
61.02927	0.6
67.05516	2.2
68.04589	0.4
69.03416	1.4
69.07085	1.8
70.06577	1.2
70.98111	0.6
71.00902	0.6
71.01287	0.6
71.04990	1.2
72.08144	1.1
77.03902	0.4
78.04716	2.6
79.05497	3.6
81.03413	3.0
81.07061	3.5
82.07387	0.4
83.04974	2.1
83.08607	1.5
83.09055	0.3
84.08138	1.4
84.96028	0.9
85.02902	1.2
85.06566	0.5
87.04456	0.4
91.05489	12.0
93.07047	8.9
94.06575	0.5
95.04966	5.2
95.06085	2.1
95.08595	1.8
96.06409	0.7
97.02887	1.5
97.06518	1.1
97.99208	1.1
98.01298	0.5
98.97592	1.9
99.04436	0.6
99.08103	0.5
103.03963	0.9
103.04803	0.7
103.05471	10.5
105.03398	0.9
105.04525	1.2
105.07048	4.8
106.04168	2.2
107.04969	1.8
107.08602	1.5
109.02923	0.9
109.06503	2.0
109.10168	1.8
110.97609	0.5
111.04446	0.5
111.08073	0.8
113.05981	0.5
113.07116	0.7
115.05439	0.5
116.00224	0.7
116.98621	0.5
119.01865	0.6
119.04954	1.2
119.08549	1.8
120.05733	0.4
120.08102	0.9
121.02877	0.8
121.06507	17.1
121.10162	0.6
122.03736	0.4
123.04431	8.5
123.08062	0.6
124.05188	2.2
126.00729	0.5
127.03905	0.6
127.07504	0.5
128.98628	0.5
131.06128	0.8
131.08524	0.5
131.97379	0.4
133.06483	2.2
133.10103	1.6
134.03664	0.5
135.04465	0.5
135.08099	0.4
135.11696	0.6
136.07562	0.4
137.05972	2.8
137.09593	1.0
141.05476	0.5
145.96587	0.5
146.99669	0.5
147.01277	0.5
147.04405	0.7
147.08051	0.8
147.11729	0.8
149.02409	0.6
149.05989	26.7
150.06570	0.5
151.03882	3.0
151.07568	1.0
151.11218	0.5
151.14670	0.4
152.04709	1.8
152.07088	0.4
156.01836	0.8
161.05965	3.6
163.97728	1.0
164.12616	1.2
165.01891	0.5
165.05516	1.0
165.09074	0.6
166.04971	0.6
166.06264	6.4
166.08482	0.6
167.07043	100.0
168.04082	0.4
168.07454	0.6
169.05118	0.5
170.99603	0.6
175.11118	0.4
175.14827	0.8
177.00760	1.1
179.03246	0.4
180.07776	1.8
181.08600	30.5
183.06480	1.1
187.95938	0.4
191.01402	0.4
193.04996	1.5
193.08522	2.0
193.12260	1.2
193.15822	0.5
194.13742	1.0
205.98798	1.0
211.02362	1.0
211.05991	1.8
211.07632	1.5
211.09575	6.5
211.11534	0.6
211.14424	1.5
211.16486	1.8
212.09128	0.5
230.86107	0.4
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
53.03923	1.7
55.01867	5.7
55.05510	24.7
57.03437	5.5
57.07052	6.4
58.41034	1.7
59.04988	3.1
65.03954	2.0
67.05512	11.7
69.03431	53.2
69.07084	11.3
69.79495	2.9
69.79916	5.9
71.04991	10.3
72.23254	1.9
79.05495	13.8
81.07057	20.7
82.94850	2.2
83.04984	30.8
83.08617	17.3
85.06538	10.3
91.05489	14.3
93.07046	34.6
95.04469	2.2
95.04974	28.0
95.08611	15.8
97.06536	9.7
97.10162	3.9
98.20846	2.4
99.04450	7.1
103.05482	3.6
104.24475	1.8
105.07042	15.3
107.05010	4.2
107.08601	63.4
109.06525	35.4
109.10156	14.9
111.04449	1.5
111.08072	9.6
113.09622	2.0
117.06985	2.7
119.08603	11.9
121.06489	8.1
121.10147	94.7
121.98358	2.1
123.08079	10.0
123.11703	11.7
125.09636	53.3
126.59867	1.7
127.91299	1.9
131.04939	4.4
131.08586	25.4
133.10144	18.9
133.81712	1.8
135.08052	17.1
135.11685	5.7
136.21165	1.8
137.09570	2.2
139.11223	2.1
145.10115	15.0
147.11707	5.2
149.02391	2.2
149.06024	3.4
149.09642	23.7
149.13234	10.3
151.11206	15.8
153.05493	2.0
153.09099	27.0
158.10880	3.9
161.09625	1.6
163.11179	11.0
163.14836	21.1
165.12782	9.0
167.07028	5.5
167.10637	2.1
167.14320	23.1
167.96388	2.7
173.13268	24.0
177.05446	5.6
191.10724	8.2
191.14319	84.6
194.02103	3.8
209.04506	8.7
209.08134	4.8
209.11934	12.1
209.15364	100.0
218.58051	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	6.6
55.05513	9.6
57.03442	1.5
57.07059	3.3
59.04990	1.9
63.63927	1.0
65.03918	1.6
67.05507	12.5
69.03433	11.6
69.06729	1.2
69.07072	14.9
70.82211	1.5
71.04991	8.8
75.04488	0.9
79.05507	9.1
81.03410	4.6
81.06602	0.9
81.07059	17.1
82.04168	1.5
83.04984	16.9
83.08614	7.0
85.02917	2.7
85.06530	2.3
89.03898	0.9
91.05485	13.2
93.03400	3.0
93.06496	1.4
93.07047	19.8
95.04971	11.1
95.08608	30.6
97.02890	1.8
97.06544	8.3
98.21444	0.9
99.04459	2.1
99.08100	4.8
103.05481	3.7
105.07047	10.5
106.04176	8.8
107.04949	3.3
107.08597	42.3
109.06522	15.3
109.10160	16.4
110.03727	0.9
111.04439	2.8
111.08089	7.4
112.98115	0.9
113.09631	1.3
117.03360	0.8
117.07034	4.6
119.08573	8.6
121.06506	15.5
121.10147	38.4
122.07310	1.0
123.08067	8.2
123.11729	5.6
125.06042	3.7
125.09641	13.5
131.04924	2.3
131.08559	6.2
133.06502	0.7
133.10130	17.2
134.03644	2.1
135.04437	1.4
135.08058	15.9
135.11697	9.6
137.05998	1.8
137.09605	4.6
139.07542	5.0
139.11174	5.0
143.08571	1.0
145.02901	0.8
145.10110	5.8
147.11691	7.8
148.05200	1.4
149.05995	10.4
149.09618	12.2
149.13266	20.6
151.11185	100.0
153.05495	0.9
153.09064	5.8
158.10873	2.2
159.02095	0.8
163.03952	0.9
163.07582	1.7
163.11180	6.7
163.14839	9.4
165.12759	9.7
167.10782	0.9
167.14337	3.0
167.96436	0.9
173.09543	0.9
173.13277	17.2
177.05479	5.2
181.08614	2.2
181.12302	1.1
185.97586	1.1
191.07130	2.1
191.10725	2.2
191.14311	44.9
194.02176	2.1
209.04454	2.7
209.08054	5.4
209.09903	1.6
209.11548	4.8
209.13527	1.1
209.15356	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.21902	0.3
52.94085	0.3
53.03947	0.4
55.01860	0.9
55.05506	1.3
57.07079	4.0
59.04986	0.5
67.05223	0.3
67.05517	3.4
69.03429	0.8
69.07065	1.5
71.05002	2.5
71.37694	0.3
79.05499	2.9
81.07058	4.1
83.04971	0.8
83.08629	0.9
85.06544	1.0
89.88051	0.3
91.05489	2.3
93.07056	3.2
95.04977	3.8
95.08614	4.1
97.06512	0.9
103.05440	0.5
105.07030	3.5
106.04163	0.8
107.08600	5.8
109.06525	100.0
109.10165	10.4
110.06834	0.4
110.14161	0.3
111.08059	1.6
117.07036	1.2
117.20908	0.4
119.08590	1.5
121.06528	1.3
121.10169	2.9
123.08073	9.2
123.11742	0.3
123.62027	0.3
125.06044	0.4
125.09711	0.4
130.07846	0.3
131.08571	5.7
133.06561	0.4
133.10152	2.9
133.82550	0.4
135.08063	23.9
135.11684	0.6
137.09673	0.4
139.11240	0.6
143.08595	0.5
145.10147	1.4
147.08099	0.5
147.11696	1.1
149.05992	0.7
149.09636	2.4
149.13298	1.3
150.10442	0.8
151.11215	2.5
153.09108	4.3
158.10907	1.0
161.09677	0.6
163.11198	0.4
163.14830	0.6
173.13277	6.6
176.12027	0.5
177.05453	0.6
191.14319	25.1
209.11847	0.5
209.15367	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.20620	1.7
53.03927	3.8
55.01878	20.8
55.05513	92.4
56.39038	1.7
56.96553	5.8
57.03435	5.4
57.07068	5.0
59.04995	5.5
63.39421	1.4
65.03931	2.4
67.05511	18.2
69.03431	12.3
69.07079	13.7
70.06574	4.2
70.75719	5.0
71.05000	11.9
72.08178	3.2
79.05498	22.9
81.03440	2.5
81.07056	23.2
82.94834	2.9
83.04984	95.1
83.08160	3.3
83.08624	51.8
84.04490	2.2
84.08135	5.5
85.02872	2.6
85.06573	8.6
86.09698	3.4
87.04447	1.8
89.03976	2.1
91.05483	20.5
93.03412	3.1
93.07044	30.7
95.04972	62.1
95.08615	21.1
97.02881	2.4
97.06547	15.2
97.10196	11.6
98.97587	5.0
99.04452	11.1
99.08118	2.5
103.05441	8.8
104.04104	1.7
105.07037	15.9
106.04193	7.8
106.06563	1.9
107.04949	8.0
107.08602	53.8
109.06524	36.5
109.10162	34.5
110.97556	3.6
111.04443	3.5
111.08080	18.4
112.08811	3.5
113.09618	3.6
116.98619	1.9
117.03371	1.9
117.07018	2.9
119.04965	2.8
119.08589	7.5
121.06519	18.8
121.10148	58.8
122.00554	1.8
123.08073	5.8
123.11703	16.6
123.97422	3.0
125.06010	3.5
125.09644	25.5
126.93787	1.9
130.06465	2.0
131.04936	7.5
131.08575	15.2
132.04459	4.7
133.02859	1.9
133.10130	23.6
134.03622	2.8
134.52888	1.7
135.04402	6.1
135.08086	14.1
135.11676	6.8
137.05989	2.7
137.09598	2.5
139.11203	1.7
144.94838	1.9
145.02864	4.5
145.10129	9.7
146.99635	2.1
147.04431	2.2
147.11621	3.0
148.05110	2.9
149.05983	18.7
149.09610	17.0
149.13275	15.3
151.11186	66.7
153.05437	5.2
153.09120	29.3
163.03880	3.6
163.07521	5.7
163.11191	5.9
163.14882	11.6
165.04927	2.2
165.12735	2.3
167.07065	2.3
167.14326	100.0
167.96390	4.6
173.13258	11.6
176.53946	3.8
177.04272	2.4
177.05531	18.8
181.08539	3.4
185.54385	5.4
185.97476	4.5
188.07021	2.3
191.07047	6.0
191.10677	7.7
191.14325	24.0
194.05812	2.6
205.19290	1.6
207.67386	1.5
209.04298	5.9
209.07956	18.0
209.09595	3.7
209.11923	9.8
209.15366	76.1
210.16011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.3
55.01883	7.6
55.05509	13.3
55.81672	1.5
57.03425	5.1
57.07079	7.4
59.05008	2.2
65.03930	2.1
67.05504	17.2
69.03430	65.6
69.07074	16.2
70.06573	1.7
70.23872	4.4
71.04988	10.0
79.05069	2.4
79.05494	27.5
81.03417	2.6
81.07059	23.9
82.94871	1.2
83.04980	23.3
83.08620	15.1
84.08153	1.9
85.02916	2.0
85.06544	10.9
91.05482	20.1
93.06503	2.9
93.07050	40.6
95.04978	14.0
95.08611	19.3
97.06528	12.4
99.04457	5.2
99.08095	1.9
103.05461	5.9
104.19014	1.6
105.07033	24.1
106.04166	3.4
107.04948	9.9
107.08598	61.9
109.06522	23.7
109.10177	9.6
111.04424	3.6
111.08075	10.0
111.11718	3.9
117.07009	5.0
119.08578	16.0
121.06515	14.0
121.10142	48.1
123.08063	13.7
123.11711	9.6
125.05973	4.8
125.09631	61.5
127.07480	1.4
131.04922	3.3
131.07597	2.8
131.08566	44.7
133.10136	18.9
135.08060	21.3
135.11678	10.6
137.05937	1.8
137.09601	3.1
139.07527	2.5
139.11151	2.7
143.08569	2.2
145.10133	20.9
147.08035	1.7
147.11696	7.4
148.05208	2.6
149.05977	6.1
149.09619	42.6
149.13246	10.6
150.10234	1.5
151.07545	1.9
151.10205	1.4
151.11215	10.3
153.05447	4.7
153.08054	2.1
153.09120	17.3
158.10947	4.7
161.09601	2.7
163.07542	3.8
163.11177	17.3
163.14801	6.0
165.09116	3.4
165.12714	8.1
167.10681	45.6
167.14349	11.5
173.09616	3.0
173.13246	24.9
176.12015	2.1
177.05429	4.6
181.08594	1.8
191.06897	1.5
191.10693	20.4
191.14316	84.0
209.04366	3.3
209.08104	6.9
209.11833	23.6
209.15366	100.0
222.69550	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	7.1
55.01878	12.8
55.05267	2.4
55.05512	26.8
57.03439	36.4
57.07089	7.2
59.04989	1.8
65.03921	4.9
67.05509	62.8
69.03429	17.1
69.06729	1.9
69.07075	21.6
69.15040	16.8
71.04996	51.8
75.04474	5.8
77.03928	3.0
78.04678	2.4
79.05496	59.7
81.03407	5.9
81.07059	71.3
83.04584	1.4
83.05000	17.9
83.08191	2.1
83.08620	15.4
83.52342	1.4
84.08133	1.9
85.02901	4.3
85.06543	13.2
89.06051	2.7
91.05484	45.4
93.03382	4.2
93.07047	100.0
95.04981	25.2
95.08610	85.9
97.02872	3.6
97.06532	21.4
97.10138	2.8
98.20707	2.6
99.04453	9.7
99.08082	6.4
103.05448	6.3
105.07034	33.8
106.04168	11.7
107.04950	9.0
107.08598	94.0
109.05814	2.9
109.06522	49.2
109.10159	32.8
111.04442	2.1
111.08090	16.5
113.05981	2.7
115.05402	2.2
117.03327	2.0
117.07021	16.2
119.04881	2.1
119.08590	54.6
121.06500	27.5
121.10146	43.2
123.08060	19.7
123.11678	4.6
124.16431	1.8
125.06011	7.7
125.09627	15.2
127.07590	2.5
129.07002	2.1
130.07797	1.9
131.04926	4.2
131.08582	20.2
133.10133	20.2
134.03658	2.4
135.08064	24.3
135.10721	2.9
135.11700	43.7
137.05913	2.0
137.09613	13.0
139.07503	4.9
139.11159	3.0
145.10130	34.0
147.11665	8.5
147.35207	1.7
149.06004	18.4
149.09639	13.3
149.13260	56.1
151.07649	1.7
151.11183	13.1
153.06842	2.0
153.09097	10.5
153.12712	4.7
155.08502	1.8
163.07590	2.2
163.09874	2.7
163.11194	43.0
163.14821	17.4
165.12746	6.3
167.14317	3.8
173.09637	4.3
173.13284	33.5
177.05469	10.9
181.08565	2.1
181.12209	3.6
181.15857	5.5
185.97444	1.7
191.07005	5.2
191.10632	6.6
191.14308	53.5
194.05632	1.7
209.04324	2.3
209.07939	7.4
209.09938	1.7
209.11693	5.2
209.13397	3.7
209.15353	53.2
227.12677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.00694	1.6
53.03936	4.4
55.01874	14.2
55.05515	45.2
56.96570	9.3
57.03422	6.8
57.07056	7.7
59.05008	2.7
65.03933	3.9
66.05515	1.7
67.05502	21.2
68.99761	1.9
69.03098	1.8
69.03438	26.4
69.07061	11.4
70.06596	2.8
71.05003	16.5
71.51917	1.7
78.04699	2.4
79.05496	24.0
81.03410	3.9
81.07059	35.0
82.94843	2.4
83.04498	3.0
83.04985	46.9
83.08623	26.0
84.08131	3.6
85.02904	3.4
85.06558	13.1
86.09694	2.1
91.05486	23.5
93.03402	3.4
93.07052	33.0
95.04974	100.0
95.08618	20.7
97.06553	18.5
97.10168	5.0
99.04478	15.6
99.08091	4.9
103.05465	9.6
105.04541	2.6
105.07043	22.2
106.04164	9.8
107.04963	9.6
107.07892	3.0
107.08600	49.4
109.06523	64.2
109.10166	23.3
111.04436	7.1
111.08099	17.3
113.05949	2.2
117.03389	3.5
117.06988	6.0
119.08566	14.7
120.08103	7.7
120.51302	2.1
121.06503	22.8
121.10152	30.3
123.04449	2.2
123.08075	13.1
123.11713	11.5
125.05985	7.7
125.09634	33.2
129.07011	2.3
131.04915	7.2
131.08588	26.5
132.77078	2.3
133.03368	3.3
133.10144	25.9
134.03661	3.6
135.04396	3.9
135.08073	20.3
135.11705	10.7
137.05962	2.8
137.09592	7.2
139.07561	14.3
139.11127	2.8
142.03877	4.5
143.08519	3.4
145.02878	2.5
145.10118	15.9
147.08087	2.8
147.11673	6.9
148.05211	3.2
149.05997	20.2
149.09616	26.7
149.13274	13.8
151.11200	32.8
153.05522	3.4
153.09114	41.4
158.10892	5.1
161.01289	2.0
163.07536	7.3
163.11162	12.1
163.14806	5.6
164.35828	2.0
165.12726	3.7
167.07085	3.2
167.10681	3.0
167.14343	31.4
167.96349	2.3
173.09595	2.9
173.13263	23.5
177.05475	19.0
181.04903	3.6
181.08598	2.9
181.10017	1.9
185.97530	4.8
191.07002	5.4
191.10693	16.5
191.14330	57.8
205.00104	2.2
209.04515	4.7
209.08014	18.4
209.09712	3.0
209.11702	22.4
209.15376	84.4
210.15945	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.6
55.01862	3.1
55.05518	6.5
57.03437	2.6
57.07067	3.2
59.04988	3.0
59.55252	0.9
65.03936	1.6
67.05515	8.8
69.03423	3.8
69.06770	0.8
69.07078	7.7
69.21602	5.4
69.22025	3.5
70.06571	1.0
71.04977	3.7
78.04677	1.0
79.05089	1.0
79.05507	11.0
81.07059	26.2
82.47517	1.0
83.04977	6.3
83.08611	5.5
85.06535	3.0
89.03890	1.2
91.05492	11.1
93.03400	2.5
93.07055	17.6
94.29256	1.0
95.04975	24.8
95.08625	11.0
97.02905	1.1
97.05927	1.8
97.06539	30.6
99.04469	4.4
99.08102	1.2
103.05460	3.3
105.04454	1.0
105.07043	11.8
106.04183	7.3
107.04984	1.2
107.08606	22.6
109.06525	100.0
109.10163	21.9
111.08122	4.7
111.82529	0.9
111.83421	1.0
113.05993	1.4
113.09632	1.3
117.07041	1.8
119.08579	5.5
121.06529	10.9
121.09330	1.6
121.10152	20.0
123.08060	6.3
123.11689	3.4
125.05979	2.3
125.09650	5.4
131.04976	1.2
131.08566	11.5
133.10138	43.1
134.03616	1.4
135.08080	12.3
135.11700	4.1
137.06018	1.9
143.08507	1.1
145.10146	6.1
147.11670	4.0
149.05980	8.7
149.09650	3.9
149.13263	5.9
151.11237	5.3
153.05522	1.5
153.09113	28.7
153.95035	0.9
154.05676	1.1
158.10934	3.4
163.11174	2.8
163.14830	5.3
165.12750	2.0
167.10741	1.2
167.14342	5.3
173.13269	20.0
177.05479	6.1
179.46823	1.0
181.08652	2.1
182.15182	1.1
191.06984	2.3
191.10530	1.3
191.14307	27.6
191.38647	1.2
209.08066	2.4
209.09825	1.7
209.11607	1.5
209.15381	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	209.1175
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02377	2.7
53.03720	1.8
53.03949	27.5
55.01876	27.4
55.05513	30.2
55.88885	1.1
56.96574	5.8
57.03197	1.2
57.03444	15.0
57.07081	6.5
59.04984	2.1
61.83453	1.1
65.03952	9.5
67.05509	100.0
67.92551	1.0
68.05826	1.2
69.03432	10.8
69.07072	26.0
71.01342	1.7
71.05000	24.2
71.08630	1.3
71.52251	1.6
72.93805	1.0
73.02908	1.6
75.04494	5.2
77.03921	2.8
78.04708	4.7
79.05499	75.3
81.03423	84.7
81.07059	92.4
82.80271	0.9
82.94871	1.2
83.04981	31.7
83.08233	1.1
83.08628	13.8
85.02911	5.5
85.06548	14.3
85.10071	1.0
85.33974	1.1
87.04449	2.2
89.03902	1.7
89.06052	1.9
90.04178	1.2
91.04910	1.8
91.05487	60.3
93.03403	10.3
93.07051	87.9
95.01390	1.3
95.04977	45.0
95.08614	59.5
97.02882	4.1
97.06541	22.9
97.10150	3.6
98.97580	10.5
99.04476	5.7
99.08060	3.5
101.02451	1.2
103.05476	15.0
105.03381	2.4
105.04528	3.8
105.07034	23.0
106.04185	28.9
107.04964	42.5
107.08601	59.6
109.06526	31.6
109.10162	29.4
111.04460	23.3
111.08085	16.0
113.06001	2.1
115.05453	3.9
116.06196	1.1
116.98622	3.7
117.03397	2.4
117.06232	2.1
117.07025	23.9
119.01798	1.3
119.04929	2.4
119.08594	31.1
121.06514	40.4
121.10149	58.5
122.07317	1.2
123.04424	4.2
123.08073	13.2
123.11715	5.3
123.97444	1.8
124.05208	1.5
125.06005	11.7
125.09634	11.0
127.07553	1.9
128.02267	2.7
129.05696	1.1
129.06987	9.0
130.07776	3.0
131.04939	10.9
131.08585	24.7
132.05675	2.0
133.02841	1.3
133.06435	1.1
133.10150	15.8
134.03639	5.4
135.04453	2.4
135.08057	17.0
135.10706	2.2
135.11703	35.5
137.05971	6.0
137.09631	8.0
138.06145	1.5
139.07530	5.3
139.11143	2.3
143.08565	2.0
144.05736	1.8
145.02834	3.9
145.06503	13.6
145.10133	38.3
147.04427	2.3
147.08069	3.4
147.11682	7.8
148.05177	4.4
149.04793	2.3
149.05991	39.4
149.09627	25.7
149.13269	37.1
151.07550	1.8
151.11192	5.9
153.05470	2.7
153.06969	3.0
153.09120	14.1
153.12735	8.6
155.08562	16.1
158.07248	1.3
158.99652	3.6
159.04362	1.6
163.07497	4.4
163.09871	2.2
163.11194	35.2
163.12543	1.9
163.14839	13.0
165.09082	1.5
165.12772	8.9
166.06267	1.9
166.07748	1.2
167.07074	1.2
167.10693	3.1
167.14273	3.7
167.96436	1.9
173.09648	28.9
173.11984	1.5
173.13268	17.4
176.11395	3.0
177.00720	1.8
177.05496	22.5
179.08324	8.0
179.58409	3.2
181.06464	1.7
181.08589	9.1
181.10051	1.5
181.12291	5.6
181.15826	3.3
182.11557	1.2
185.11945	11.6
185.97395	2.3
188.08849	6.1
188.59015	2.9
191.07022	6.8
191.10652	17.2
191.14328	39.8
191.17987	1.8
194.02110	1.5
194.10889	1.4
194.12509	3.8
196.62778	2.2
199.59636	3.1
199.83833	1.3
205.63300	2.5
209.04396	3.1
209.06233	2.1
209.08073	14.0
209.09720	2.7
209.11574	16.1
209.13416	2.4
209.15343	41.8
209.18967	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02385	0.7
53.03951	3.7
55.01881	8.2
55.05515	13.9
55.11184	0.7
57.03445	4.1
57.07077	3.4
59.05009	1.0
65.03941	2.2
67.05508	22.5
68.99775	0.8
69.03431	20.4
69.07073	6.5
71.04998	9.0
71.25348	0.9
77.03948	1.6
78.04734	0.9
79.05499	34.0
81.03415	2.0
81.07062	41.6
83.04990	10.8
83.08607	3.8
83.61511	0.7
84.08154	0.7
85.06547	15.6
87.04420	0.9
89.06039	0.8
91.05483	22.3
93.03402	2.0
93.07050	67.9
93.28744	0.6
94.07375	0.9
95.04978	20.8
95.08611	11.1
96.31814	0.6
97.02893	1.3
97.06540	12.3
97.10200	0.9
99.04465	13.9
101.06009	1.8
103.05473	3.2
105.04515	1.0
105.07039	51.1
106.04176	3.0
107.04964	6.1
107.08601	100.0
109.02850	0.8
109.06530	25.0
109.07273	1.5
109.10159	5.1
111.04446	1.8
111.08102	3.3
113.06016	9.2
115.03948	1.1
115.05446	0.8
117.07023	10.2
119.08590	20.3
121.06514	41.7
121.10151	43.3
123.08045	4.3
123.11701	1.8
125.06002	3.0
125.08789	0.7
125.09639	3.1
127.07585	1.8
128.06218	0.8
129.06970	1.0
130.07796	5.0
131.04919	1.8
131.08586	8.9
133.06506	1.9
133.10139	10.8
135.04433	1.3
135.08064	16.0
135.11694	23.9
136.91310	0.7
137.05989	2.0
137.09634	4.4
139.07538	2.0
139.11206	1.6
141.95367	0.6
143.08577	2.1
145.10132	48.5
147.04413	0.7
147.08054	2.1
147.11699	5.6
149.05986	9.0
149.09628	19.6
149.13297	3.6
151.07553	2.1
151.11140	1.7
153.05579	0.8
153.09106	5.2
153.12712	2.2
155.08591	1.7
158.07310	2.2
161.13248	1.5
163.03931	0.9
163.07547	1.9
163.11189	99.5
163.14859	2.4
164.11542	1.1
165.12759	1.3
167.10664	1.3
167.14342	1.2
173.09641	10.3
173.13290	4.1
177.05458	3.7
179.14311	0.8
181.08611	0.8
181.12262	4.5
185.12535	0.7
191.07001	2.1
191.10678	32.7
191.14326	8.2
209.06314	0.7
209.08084	2.7
209.09985	0.9
209.11745	22.1
209.15361	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	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.29933	1.2
53.03946	9.4
55.01884	2.3
55.05516	9.4
57.07086	1.9
59.05001	1.8
65.03941	1.9
66.27444	1.2
67.05515	32.4
69.03437	3.4
69.07088	7.2
69.17252	7.8
69.17683	5.6
71.05001	4.1
73.56943	1.3
77.03954	1.5
79.05506	45.7
80.46714	1.3
81.03430	3.2
81.07076	27.5
83.04994	4.3
83.08631	4.7
85.02891	2.3
85.06560	2.0
91.05495	53.2
93.07056	100.0
94.57759	1.3
95.04977	12.8
95.08616	14.0
96.64401	1.2
97.06545	2.6
97.10194	2.8
103.05547	1.8
105.04533	3.6
105.07041	30.0
107.04970	2.6
107.08614	14.2
109.06543	9.3
109.10198	3.2
111.04472	2.1
115.96469	3.1
117.07033	5.5
119.08593	18.8
121.06518	5.7
121.10146	5.9
123.08081	10.2
123.11792	1.7
127.07591	1.7
129.07030	13.2
131.08554	2.2
133.06520	3.2
133.10156	8.1
133.97424	1.7
135.08104	2.8
135.11708	1.8
137.09639	2.3
143.08563	7.5
145.10146	9.8
147.04457	2.9
147.08095	4.0
147.11703	56.5
149.09641	5.0
151.07550	4.9
161.06007	1.7
161.09653	4.8
161.13274	16.0
163.11223	1.9
165.12820	3.6
165.96577	2.3
171.11708	26.4
179.14331	2.1
183.97673	2.3
189.12753	17.1
192.09363	5.6
207.06525	6.1
207.09952	2.8
207.11713	11.5
207.13838	41.9
207.15779	2.8
207.17477	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	D-Kynurenine
Peak:m/z	Relative Intensity
53.03944	1.6
53.06594	0.8
55.01658	0.9
55.01882	7.0
55.05510	6.1
56.02327	0.8
56.05028	1.5
56.79245	0.8
56.96297	1.6
56.96567	23.2
57.03438	1.6
57.07075	2.0
58.99600	1.1
59.04997	2.2
60.04516	0.8
60.05675	1.4
61.02925	1.1
62.99081	1.2
64.39469	0.8
67.05518	5.3
67.92507	4.4
68.99765	0.9
69.03429	5.8
69.07083	5.3
69.97423	2.3
69.97813	1.5
70.06593	13.0
70.98124	2.4
71.01360	1.8
71.04985	2.2
72.08164	6.4
73.02941	2.0
73.06564	1.1
74.02443	21.6
74.97617	1.8
76.45982	1.0
77.03914	1.5
79.05501	4.9
81.03432	2.6
81.07066	5.7
82.94849	17.9
83.04992	5.4
83.06095	1.2
83.08626	3.2
84.04522	8.4
84.08152	10.1
84.96053	1.5
85.02908	3.3
85.06554	1.6
85.93543	1.2
86.09706	7.2
87.04488	1.0
88.04007	3.8
89.00740	1.0
89.03932	1.7
91.05482	10.9
92.04999	1.5
93.03382	0.9
93.07047	8.8
94.01759	0.8
94.06573	100.0
95.04984	6.9
95.06083	1.7
95.08573	4.5
97.02894	3.3
97.06527	3.3
97.10221	1.0
98.01353	0.9
98.06068	0.9
98.20731	1.0
98.97591	12.3
99.00823	13.2
99.04466	2.9
100.95856	2.0
100.99143	3.1
101.00770	1.0
102.05538	0.9
103.00523	0.8
103.05499	6.8
104.05000	6.5
105.03422	1.1
105.07046	2.8
106.04205	0.9
107.04962	4.3
107.08607	5.6
109.02928	1.3
109.06530	7.3
109.10169	2.4
110.07166	0.9
110.97589	1.7
111.04462	1.9
111.08086	2.8
112.01077	1.1
112.03957	1.2
112.08737	2.3
115.05470	1.1
116.98597	4.5
117.03393	2.0
117.07049	0.9
118.06554	37.0
119.00289	1.2
119.01830	3.4
119.05202	1.9
119.08582	1.6
120.04470	34.1
120.05599	2.8
120.08110	0.8
121.06511	9.6
121.10125	5.1
122.06035	1.3
123.08075	1.7
123.97471	18.9
124.05244	1.0
125.06020	1.1
125.09612	4.4
126.93793	6.5
126.97048	1.5
127.01538	1.0
127.03936	2.6
128.02347	4.0
128.98601	3.0
129.10263	3.5
130.04996	1.1
130.08653	1.1
131.01768	1.2
131.04924	8.2
131.08565	2.7
132.04449	12.9
133.10161	3.2
134.38499	1.0
135.04472	1.4
135.08049	3.1
135.11703	1.7
136.07588	40.4
137.05957	1.5
139.07564	1.0
144.94823	9.9
144.98082	4.7
145.01758	1.4
145.02831	2.0
145.06491	1.5
145.10168	1.2
146.06017	79.0
146.99689	3.7
147.04427	1.9
148.05208	2.1
149.01190	1.2
149.05980	8.3
149.09639	2.9
149.13362	1.4
149.22839	1.0
150.05507	28.1
151.11194	2.3
153.05585	1.1
153.09103	4.1
155.04651	3.0
157.10783	1.1
158.02489	1.1
158.99701	5.4
159.04454	1.5
160.02016	0.9
162.95891	11.7
162.99106	6.1
163.02786	2.3
163.03943	2.3
163.07524	2.3
163.08691	7.6
163.11140	2.2
163.12378	1.1
164.07103	6.8
165.00668	2.4
166.04955	1.0
167.06995	1.2
167.14345	3.3
167.96426	20.5
169.02643	1.6
173.13300	2.6
174.05524	34.9
174.99257	0.9
175.11967	2.7
177.00792	4.7
177.05469	15.4
179.04570	1.1
181.05026	1.4
181.06557	1.3
181.08478	1.6
181.09882	1.1
185.04909	1.1
185.97498	23.2
187.02852	1.3
188.03589	1.2
188.05104	5.2
188.55281	1.2
189.00700	1.1
189.05989	1.4
190.98697	2.1
191.07001	5.2
191.10728	1.2
191.14345	6.7
192.06548	50.6
194.05782	1.8
197.05695	5.1
197.55882	1.2
201.04420	1.4
205.00145	1.2
205.03746	1.1
208.56581	1.1
208.99652	4.5
209.04674	4.1
209.07936	5.4
209.09378	9.8
209.12906	6.9
209.15393	13.7
210.16078	2.4
219.01884	1.4
223.01260	1.2
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
55.05508	1.1
59.05003	1.3
67.05504	0.8
69.03436	2.2
69.07080	1.0
69.71275	2.7
71.05002	2.2
71.76299	0.5
76.16302	0.4
77.25927	0.5
77.67054	0.4
79.05499	2.7
81.07051	2.5
82.52492	0.4
83.04978	1.8
85.02904	1.6
91.05467	2.5
93.07043	5.0
95.04967	1.1
95.08624	2.6
97.06527	1.3
98.21504	0.7
105.07040	8.2
107.04976	0.7
107.08600	7.9
109.06505	3.7
109.10173	1.1
119.04995	0.6
119.08584	6.8
121.06503	4.6
121.10156	7.1
122.24876	0.4
123.04404	0.5
123.08080	8.2
123.11761	2.5
129.07034	0.5
131.08566	1.5
133.06505	1.8
133.07480	0.5
133.10144	1.5
135.08058	1.1
137.09628	3.1
137.13268	0.9
141.07121	0.5
142.07829	0.6
143.08566	1.2
145.10164	1.4
147.08054	2.1
147.11687	5.5
149.09627	100.0
150.09982	0.8
151.07533	2.0
156.09364	2.1
157.44635	0.6
160.08838	0.7
161.09613	0.8
161.13277	4.8
163.11171	3.1
165.12740	4.6
171.11670	5.3
174.10431	2.2
175.74924	0.5
189.09145	0.6
189.12747	16.3
207.13808	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05501	8.1
57.03441	6.5
57.07077	3.5
59.04996	2.9
67.05505	18.1
68.54167	2.3
69.03432	6.7
69.07060	5.8
70.05645	2.5
70.05982	8.4
71.04958	3.0
79.05504	11.4
81.07055	19.3
83.04974	9.0
85.02950	2.3
86.62714	2.2
91.05484	14.8
93.07046	18.9
95.04985	11.3
95.08607	28.4
104.30490	2.3
105.06322	3.1
105.07024	45.8
107.04979	3.4
107.08598	23.6
109.06525	33.9
109.10165	17.9
111.08089	8.0
119.08588	50.3
121.06489	10.2
121.10148	19.5
122.07275	2.9
123.08061	31.2
123.11686	5.2
131.08569	5.7
133.06531	6.0
133.10179	11.7
135.08044	6.1
135.11665	3.6
137.09622	100.0
139.07535	10.6
143.08595	4.5
145.10132	6.4
147.08020	10.8
147.11674	25.4
149.08426	4.7
149.09627	97.1
151.07552	10.5
153.08937	2.3
156.09299	5.1
161.09657	3.6
161.13255	25.1
163.11198	5.7
165.12743	5.4
171.11691	10.9
174.10483	3.4
177.12747	3.5
179.14331	3.8
189.12735	33.0
207.13809	71.5
217.11969	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	3.0
55.01859	2.7
55.05514	9.0
57.03441	58.8
57.07067	1.7
67.05216	1.5
67.05518	15.2
67.61716	1.7
69.03427	10.7
69.07049	5.9
69.71283	10.2
71.04995	23.2
75.04475	3.1
76.69720	1.5
79.05492	32.7
81.03418	3.5
81.07063	21.6
83.04968	7.9
85.02888	2.6
85.06522	4.4
91.05487	58.6
93.07050	32.8
95.04970	10.9
95.08623	14.4
97.06545	15.6
98.16740	1.7
99.08090	5.3
103.05432	2.2
104.06255	2.0
105.07040	64.8
107.04955	12.0
107.08601	34.8
109.06522	17.4
109.10139	4.5
111.08104	8.5
115.05450	2.8
115.72153	1.8
117.07035	20.6
119.04978	8.6
119.07821	3.1
119.08602	50.7
121.06526	23.9
121.10128	5.5
123.08085	17.5
123.11703	2.9
125.05978	2.6
125.09631	2.3
127.07523	1.9
127.36674	1.7
129.07013	5.2
131.08534	8.9
133.06487	14.8
133.10143	23.5
135.08051	20.3
137.05968	2.1
137.09633	5.8
143.08578	6.4
143.80640	1.8
145.10141	15.0
147.04405	6.6
147.08046	7.8
147.11699	100.0
149.02400	2.0
149.09616	8.1
151.07524	5.1
151.11182	17.1
156.09306	1.8
161.09607	4.6
161.13251	23.7
163.11195	31.1
165.12764	3.7
165.96545	2.0
171.11656	9.0
175.03949	4.8
175.07182	1.9
176.01895	1.9
179.14401	2.8
183.97591	2.1
189.12755	32.8
207.06554	8.0
207.13812	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02376	0.9
51.83599	0.7
53.03953	7.7
55.01855	1.7
55.05518	8.8
62.00737	0.7
62.07828	0.8
65.03936	1.4
66.43535	0.8
67.05510	28.1
69.07075	6.0
70.91616	2.1
71.04977	1.8
73.06559	1.8
77.03911	1.9
78.19627	0.8
79.05501	55.6
81.03415	1.2
81.06605	1.3
81.07066	24.8
83.04977	3.2
83.08619	3.3
85.02865	0.8
85.06538	2.3
91.05491	46.1
93.07052	100.0
95.04973	13.7
95.05946	0.8
95.08613	12.1
97.06524	0.9
97.10173	1.8
103.52457	0.9
103.53181	0.8
105.04515	3.4
105.07047	25.3
107.08610	10.5
109.06527	4.9
109.10181	1.1
117.07007	3.4
119.08604	13.5
121.06506	2.1
121.10146	2.1
122.90244	0.8
123.08067	3.8
127.07559	1.2
128.06224	1.3
129.07013	10.2
131.08533	1.6
133.10132	4.8
139.07445	1.0
143.08563	5.2
145.10146	9.1
147.08096	2.9
147.11700	56.0
156.09317	1.1
161.09613	4.7
161.13268	10.0
171.11705	28.3
189.12735	11.9
207.13817	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.21476	1.0
55.01860	0.9
55.05522	5.7
57.07064	4.3
59.04994	1.8
60.47102	0.8
65.03940	1.0
67.05506	29.0
69.03416	4.0
69.07065	1.9
70.17798	1.2
70.18146	3.0
71.05003	2.5
79.05486	3.9
81.07076	4.3
83.04964	2.7
85.06548	9.8
91.05483	6.6
93.07042	11.7
95.04976	4.9
95.08613	100.0
98.20775	1.0
105.07035	14.2
107.08604	17.3
109.06569	4.7
109.07189	0.9
109.10138	2.7
111.08070	1.7
113.06005	6.9
117.06997	1.4
119.08596	19.5
120.09347	1.2
121.06532	4.1
121.10149	16.7
123.08072	47.9
123.11731	4.4
125.09642	1.3
131.08546	3.4
133.06458	2.6
133.10095	6.2
135.08118	2.1
135.11736	5.8
137.09601	3.5
137.13213	0.9
145.10150	2.1
147.08069	3.3
147.11691	14.2
149.09625	51.0
151.07544	2.9
151.14796	4.1
156.09396	1.8
161.09662	1.4
161.13260	15.8
162.76488	0.9
163.11191	2.3
165.09079	1.9
165.12785	11.5
171.11638	2.6
174.10431	3.2
179.14346	2.0
189.12753	19.2
207.13823	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01614	0.5
51.02381	0.9
53.03947	7.2
55.01875	1.5
55.05510	5.3
57.07069	0.8
65.03946	1.2
67.05507	23.8
69.03431	3.7
69.07062	4.4
69.54209	0.5
70.49722	1.7
71.04994	1.8
73.06542	0.6
77.03932	1.9
78.04710	0.5
79.05495	40.9
81.03410	1.7
81.07058	20.9
81.07539	1.3
83.04984	1.7
83.08617	2.1
85.02927	0.6
85.06538	2.6
91.05483	47.5
93.07047	100.0
95.04969	9.3
95.08614	8.1
97.06532	2.0
97.10155	0.9
105.04523	2.3
105.06316	1.0
105.07032	20.3
107.04972	0.9
107.08604	10.0
109.06541	4.6
109.10157	0.9
113.41881	0.5
115.96451	0.8
117.07017	4.4
119.08585	13.0
119.09380	1.1
121.06497	1.2
121.10117	3.1
123.08067	4.0
127.07574	1.6
128.06219	2.0
129.07016	7.1
131.08551	1.4
133.06429	0.6
133.10127	4.7
139.54604	0.6
143.08565	4.8
145.10130	6.9
147.08052	3.2
147.11688	44.8
149.09636	1.5
151.07506	0.8
161.02783	0.6
161.09641	3.8
161.13252	8.4
163.11197	0.8
165.09116	0.6
165.12805	1.3
171.11691	20.5
189.12740	11.1
207.06483	1.5
207.13808	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02376	0.8
51.23879	0.7
53.03956	1.1
55.01872	0.9
55.05519	3.7
57.07079	1.9
59.05005	2.4
59.46093	0.6
65.03944	3.0
67.05505	5.4
68.91550	0.8
69.03422	2.6
69.07059	2.4
69.77743	4.1
71.04982	3.5
72.25368	0.7
75.13160	0.7
79.05505	5.1
81.07057	14.7
83.05000	1.1
83.08642	0.8
84.08161	1.1
84.45842	0.7
85.02907	100.0
85.06559	2.1
87.04464	1.1
89.03931	1.4
91.05484	33.4
93.07042	5.9
93.69875	0.7
95.04971	2.9
95.08602	7.9
98.20864	1.6
103.05493	1.9
105.07037	22.6
107.04954	1.4
107.08613	7.9
109.06535	7.3
109.10157	13.4
111.04432	1.5
115.05442	1.8
116.98682	0.8
117.07024	3.5
118.04163	2.8
119.04945	25.2
119.08585	22.1
121.06522	1.8
121.10138	12.7
123.04451	3.5
123.08088	5.3
123.11710	63.7
125.05983	9.7
125.09701	1.0
128.06247	1.6
129.07014	2.4
131.08586	6.3
132.02087	2.9
133.06525	2.2
133.10126	2.6
135.04434	0.9
135.11649	1.0
136.05228	1.2
137.05946	1.6
137.09590	2.6
139.07510	1.4
141.05396	1.1
141.07018	1.0
143.00189	0.9
143.08551	2.0
145.02832	1.1
145.06403	0.8
145.10132	10.8
146.03584	0.9
146.10918	1.2
147.04417	22.0
147.08028	5.8
147.11696	22.1
149.02348	2.6
149.09625	14.7
151.07535	4.4
156.09334	4.9
157.03983	2.4
160.08852	0.9
161.01297	1.9
161.05980	2.1
161.09579	2.0
161.13297	5.2
163.11189	2.9
164.04669	2.4
165.09155	1.1
165.12724	4.5
165.96478	0.9
169.08653	1.1
171.11681	4.5
174.10382	2.3
175.03909	29.9
177.01855	1.9
179.07021	2.8
189.09119	2.2
189.12749	15.5
192.04172	10.3
207.06519	24.5
207.10127	2.5
207.13802	53.3
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
55.05515	1.6
57.07077	0.9
59.05001	1.5
67.05509	5.8
69.03429	3.5
69.07081	1.6
70.02854	2.8
71.04989	2.8
76.27869	0.7
79.05487	4.1
81.07079	3.6
83.04990	2.5
85.02914	8.9
85.06537	1.9
85.21958	0.7
91.05496	3.8
91.83244	0.6
93.07052	6.6
95.04985	1.5
95.08614	18.6
97.06533	1.7
104.73315	0.8
105.07039	12.4
107.08600	9.1
109.06540	5.3
109.10124	1.6
111.08112	1.3
113.06013	1.3
119.04942	1.7
119.08590	9.1
121.06478	3.3
121.10163	8.7
123.08085	14.8
123.11700	7.5
128.06165	0.8
131.08586	2.4
133.06487	2.9
133.07449	0.8
133.10143	3.1
135.11655	1.0
137.09633	4.1
137.13261	1.0
143.08601	1.6
145.10117	2.7
147.08044	3.6
147.11684	8.9
149.09625	100.0
151.07555	2.6
156.09373	2.6
159.08078	1.4
161.09616	1.1
161.13263	8.1
163.11197	2.2
164.11929	1.0
165.09171	1.0
165.12741	6.3
171.11697	6.4
174.09081	0.7
174.10361	3.6
179.14445	1.0
189.12761	22.3
207.13809	61.6
208.14255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	2.0
54.05271	0.4
55.01863	1.9
55.05511	8.7
56.96577	3.1
57.03434	2.0
57.07082	6.4
60.04544	2.3
61.02937	0.8
63.92936	0.6
65.03944	2.3
67.05511	24.0
69.03427	3.4
69.07073	7.9
69.37794	2.3
69.38200	1.0
69.65449	0.5
70.06600	0.8
71.05004	2.8
71.08617	0.8
78.67143	0.5
78.95284	2.2
79.05074	0.7
79.05502	11.1
81.03426	3.8
81.07063	33.2
83.04999	1.1
83.08627	2.7
84.04567	0.5
85.02914	4.0
85.06538	0.9
91.05486	9.3
93.07052	27.3
93.89429	0.5
95.04974	18.0
95.08614	24.2
97.02901	11.1
97.04816	0.7
97.06542	1.2
97.10155	1.0
98.03196	0.4
99.04482	2.2
99.08101	2.3
103.05486	0.9
105.04534	0.7
105.07034	8.2
107.04955	0.8
107.08603	25.0
109.02883	6.4
109.06531	1.4
109.10172	14.4
109.26014	0.5
111.08095	1.3
113.96411	0.5
115.05477	2.2
117.07018	6.0
119.08582	6.0
119.62724	0.5
119.97927	3.5
121.02879	2.5
121.06494	3.5
121.10151	8.5
122.94198	0.7
123.11716	100.0
124.12103	0.8
127.03926	2.6
127.05858	0.8
128.06279	0.8
130.07785	1.5
131.04948	1.0
131.08582	9.6
133.10150	3.0
135.05713	0.5
135.08028	1.6
135.11703	57.2
136.12088	0.6
139.03938	1.2
140.95276	1.0
144.09363	1.0
145.05238	0.4
145.06427	2.7
145.10133	12.0
147.08110	0.8
147.11687	1.7
149.02361	25.4
149.06078	0.6
149.08511	0.5
149.09647	1.7
149.13264	13.0
155.06097	0.5
158.05980	0.6
158.96336	1.5
159.08055	0.8
159.11711	4.1
161.09645	0.9
161.13263	1.6
163.11179	1.5
163.14783	1.2
163.96838	2.8
172.08781	0.7
173.06033	2.0
175.07574	2.1
177.07338	0.5
177.09140	1.1
177.12756	4.3
177.16368	0.6
181.97908	3.3
187.07622	1.0
187.11212	1.4
187.14780	4.9
188.07208	0.8
190.09911	1.6
204.99608	0.6
205.05006	1.1
205.08600	3.3
205.12268	11.0
205.14194	1.5
205.15892	9.6
205.19542	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.9
62.77139	1.0
69.00816	1.2
69.83815	3.9
69.84224	2.0
82.68375	1.3
82.99850	3.1
83.01505	1.5
97.51650	1.2
98.97586	4.0
101.00890	28.0
102.00912	1.2
107.34015	1.4
116.98667	3.0
119.01927	42.2
120.02036	1.5
121.01691	2.9
124.02470	8.5
137.02975	4.1
137.05975	2.8
142.03505	100.0
143.03700	1.4
155.00162	1.6
159.17458	1.2
160.04561	17.3
161.02975	2.9
164.98572	1.9
165.05127	1.9
170.25099	1.2
175.97708	1.5
182.99657	5.3
183.01233	1.9
184.04539	3.0
194.31598	1.2
201.00676	6.1
201.02473	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05517	0.8
56.07401	0.6
58.94895	0.6
59.04994	0.9
60.79621	0.5
69.03424	1.7
69.15298	4.9
69.15705	1.9
71.04997	1.9
74.08936	0.6
75.82260	0.6
77.71156	0.6
79.05502	1.6
81.07068	3.2
82.64146	0.6
83.04991	1.6
91.05472	2.4
93.07055	4.7
94.71928	0.6
95.05001	0.9
95.08609	2.3
97.06566	1.5
105.07034	8.4
107.04967	0.7
107.08609	6.1
109.06528	3.6
117.06988	0.9
119.08578	6.2
121.06532	2.9
121.10131	6.9
123.08068	5.1
123.11734	1.6
129.06950	0.7
131.08568	0.6
131.96376	0.7
133.06500	1.8
133.10126	2.2
135.08026	1.1
135.11682	0.7
137.09625	3.8
143.08557	1.2
145.10153	1.1
147.08046	1.6
147.11684	4.5
149.09625	100.0
150.09995	1.1
151.07527	1.9
156.09383	2.8
158.14600	0.8
161.06000	0.9
161.09702	0.7
161.13249	5.3
163.11195	0.6
165.12769	5.0
171.11726	3.5
174.10416	2.3
189.09195	1.3
189.12740	17.5
207.13809	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	205.1589
Annotation	Khusitone
Peak:m/z	Relative Intensity
52.12745	1.0
53.03955	3.6
55.01865	4.3
55.05513	14.8
56.96563	3.7
57.03423	3.3
57.07080	11.2
58.06590	1.3
60.04520	3.6
61.02931	1.2
61.04847	1.4
63.92947	1.3
65.03941	5.5
67.05507	61.6
69.03441	7.9
69.07074	9.2
69.85058	5.6
70.06598	1.3
71.04996	8.0
71.08619	1.1
73.02900	1.0
78.95268	4.1
79.05499	25.3
81.03426	8.8
81.07061	54.1
83.04967	2.5
83.08631	4.9
84.04491	1.1
85.02897	9.1
85.04870	1.0
85.06540	2.3
91.05486	25.4
93.07050	46.8
93.07645	2.2
93.48254	1.0
95.04973	60.5
95.08611	53.9
97.02892	25.0
97.06518	3.1
97.10165	2.9
98.21405	1.5
99.04452	6.1
99.08084	8.2
103.05453	2.3
105.07044	23.6
107.04937	3.1
107.08600	33.3
109.02893	13.6
109.06520	4.4
109.10172	16.0
111.08096	3.0
115.05391	5.2
116.06242	1.9
117.07027	17.6
118.06539	1.0
119.08595	15.7
119.97897	4.8
120.44011	1.0
121.02880	6.0
121.06533	5.3
121.10148	13.8
123.08054	2.7
123.11714	100.0
127.03951	7.1
127.05905	1.3
129.07001	1.8
130.07803	2.5
131.04950	3.0
131.08566	23.4
133.10139	8.0
135.08060	4.6
135.11696	56.8
137.09596	2.0
139.03947	1.4
140.95274	2.3
143.08525	1.9
144.09396	1.5
145.06483	11.3
145.10127	31.2
146.05940	1.8
147.08060	1.3
147.11700	3.1
149.02354	47.5
149.09616	5.0
149.13248	19.6
151.11247	1.2
155.06050	2.1
158.96320	3.0
159.08116	2.2
159.11699	12.8
160.05197	3.0
161.05927	1.4
161.09619	1.2
161.13231	4.1
163.11197	4.3
163.14832	2.6
163.96851	4.9
172.08829	2.1
173.05945	8.1
175.07547	10.5
175.08902	1.7
177.09198	2.1
177.12746	4.8
177.16518	1.1
177.23442	1.0
181.97984	5.0
187.03941	1.4
187.07507	6.6
187.11177	4.0
187.14824	12.9
188.07071	1.9
190.06291	2.6
190.09889	4.6
205.04916	3.7
205.08620	10.8
205.12282	23.4
205.14172	4.1
205.15880	29.0
205.19533	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.98271	0.3
53.03941	0.7
55.01861	0.5
55.03903	0.3
55.05509	2.4
57.03424	0.4
57.07080	9.0
58.06587	0.5
60.04528	0.5
65.03938	4.1
67.05507	2.4
69.03414	1.0
69.07072	4.7
72.93793	0.3
74.63525	0.3
79.05150	0.2
79.05500	2.9
81.03418	1.1
81.07059	15.0
83.08618	2.4
84.04504	0.6
85.02901	1.0
85.04816	0.5
91.05456	1.6
93.03411	1.7
93.07045	11.9
95.07984	0.4
95.08609	8.6
96.04491	0.4
97.02904	4.7
97.10159	1.2
99.04447	1.0
105.07040	1.7
107.08601	8.6
109.02881	2.8
109.10161	6.2
111.04435	0.9
111.11732	0.5
117.07023	0.6
119.08581	0.6
121.02866	10.8
121.03970	2.4
121.06504	1.0
121.10147	29.5
123.11706	4.0
126.05526	0.6
127.03918	1.2
127.05892	1.1
131.08585	0.3
131.97511	0.3
135.11691	5.7
145.10103	0.7
149.02347	100.0
149.13257	11.8
150.02686	0.9
159.11740	0.4
160.05215	0.5
163.11272	0.4
163.14827	0.8
167.03435	1.1
175.07559	0.7
177.12796	0.8
187.07663	0.7
187.14940	0.4
190.05020	1.3
205.05031	0.7
205.08788	1.1
205.12259	0.8
205.14215	0.8
205.15892	0.8
205.17661	0.6
205.19530	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03949	0.8
55.01883	0.8
55.05510	7.8
57.07077	10.6
60.04527	1.8
63.49482	0.7
65.03944	3.2
67.05506	8.0
69.03445	1.9
69.07070	15.5
70.96372	1.8
71.08636	0.7
77.03915	0.7
79.05491	9.5
81.03416	2.3
81.07056	43.7
83.08629	5.5
84.04456	1.1
85.02898	2.6
89.75706	0.7
90.26624	0.7
91.05476	3.4
93.07043	40.5
95.08609	28.6
97.02919	6.3
97.10171	5.4
99.04437	1.1
105.07047	4.9
107.08593	28.3
107.09317	1.6
109.02888	5.0
109.10153	23.5
111.11707	2.6
115.05478	1.2
119.08587	1.1
121.02869	6.8
121.03857	1.3
121.10146	100.0
121.90517	1.0
122.10464	1.0
123.00989	0.7
123.08112	0.9
123.11708	11.0
127.03925	1.8
127.05855	1.9
133.05872	0.8
135.11693	17.4
137.05968	1.1
137.13261	1.5
139.03937	1.1
145.06490	1.3
147.11702	1.2
149.02344	74.4
149.13258	39.3
159.11731	0.9
160.05193	1.4
163.14854	3.8
167.03453	0.9
175.07549	2.3
177.16342	1.3
187.07716	1.4
190.05060	1.2
205.04924	1.1
205.08766	2.7
205.12222	1.9
205.14174	1.5
205.15901	1.9
205.19516	28.6
205.21454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02382	0.4
53.03950	3.4
55.01864	1.3
55.05511	1.2
55.99684	0.4
56.96565	0.4
57.03441	0.5
57.07079	2.4
57.20907	0.4
58.38593	0.4
59.95961	0.4
60.04522	1.2
61.02931	0.5
63.92937	0.5
65.03942	0.7
67.05519	1.1
69.03429	2.7
69.07061	0.7
69.84399	1.1
69.84789	0.9
70.06599	8.4
71.04984	0.8
72.08155	1.3
73.02899	0.4
77.03920	0.9
78.95287	1.0
79.05501	1.4
81.03426	3.0
81.07053	0.9
83.04986	1.4
84.08148	4.6
85.02917	2.8
85.06547	1.2
87.08746	0.4
91.05486	15.2
93.07047	57.3
95.04974	4.1
95.08596	0.8
97.02897	4.7
99.04459	1.0
103.05464	3.9
105.04540	1.8
105.07009	2.9
107.04983	0.6
107.08602	2.1
109.02893	3.1
109.06532	0.7
113.06062	0.4
115.05467	1.2
117.07030	2.8
118.06561	1.8
119.08613	2.3
119.97903	1.6
120.08096	0.7
121.02889	1.1
121.06508	100.0
121.10138	1.2
122.94171	0.6
123.04446	1.2
127.03954	1.9
129.07051	0.9
130.07790	0.6
130.08659	1.4
131.04869	0.8
131.08565	1.8
132.08112	0.9
133.10129	0.8
135.04428	1.0
135.08096	2.0
135.11720	1.3
136.07610	0.7
137.10191	1.8
140.95258	1.0
143.04927	0.4
144.08147	0.7
144.09335	0.9
145.05013	0.4
145.06512	1.2
145.10085	2.6
146.06052	3.8
146.07173	0.7
147.04344	0.4
147.08078	1.2
149.02354	11.7
149.05978	1.9
149.09613	0.8
149.13255	0.8
158.96313	1.1
159.04416	1.2
159.08072	1.5
159.11691	5.9
160.10474	1.7
161.06006	0.8
161.09627	0.9
163.03955	1.0
163.07550	0.6
163.11168	2.1
163.96838	2.6
169.10074	0.5
172.08849	0.8
173.06087	0.6
173.09422	0.6
175.07710	0.8
175.09190	1.0
175.11038	0.5
177.05510	0.9
177.09111	1.1
177.12711	3.6
181.60674	0.7
181.97914	2.1
187.03908	1.4
187.07559	0.7
187.11198	1.8
188.07152	2.7
205.04964	1.2
205.06737	0.7
205.08792	2.1
205.12241	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
52.89808	0.4
53.03948	2.8
53.41785	0.5
53.95958	0.5
55.01868	1.6
55.05524	2.7
57.03426	0.6
67.05504	1.4
69.03433	7.2
69.07056	1.2
69.68119	2.0
69.68530	1.0
70.06559	0.6
75.00081	0.5
76.55688	0.5
77.03923	1.2
78.45804	0.4
79.05505	1.6
79.78188	0.5
81.03433	0.9
81.07059	1.3
83.05002	3.2
85.06613	0.6
91.05491	14.7
93.07050	29.2
95.04980	2.3
95.08601	1.1
97.02904	0.5
103.05463	1.3
104.35139	0.5
105.04530	1.5
105.07040	6.7
107.08608	4.9
109.06517	1.0
115.05457	0.6
117.07012	4.6
117.36454	0.5
119.08591	6.6
121.06513	100.0
121.10139	4.6
123.08079	1.9
128.06230	0.5
129.07025	2.1
130.07788	1.4
131.08594	4.2
133.10168	1.7
135.08076	6.3
135.11728	2.5
142.07854	0.7
143.08566	0.9
144.09329	3.5
145.10138	8.7
147.08034	3.0
149.02333	1.2
149.05995	6.0
149.09651	2.4
149.13258	0.5
151.07559	0.6
157.10138	0.7
158.07253	0.6
159.08115	0.6
159.11714	14.1
161.09654	3.0
161.13322	0.9
162.10442	1.3
163.07607	0.7
163.11188	9.3
163.88968	0.5
169.10132	1.2
169.16904	0.5
172.08826	3.5
175.07513	0.7
175.11208	1.1
177.09167	0.5
177.12772	7.7
187.11191	7.6
190.09859	0.7
205.12254	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	205.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03955	1.8
55.01881	0.4
55.05514	100.0
56.05854	0.3
56.96565	0.5
57.03431	0.3
57.07080	1.3
57.90311	0.2
58.47479	0.3
58.99592	6.8
59.04995	0.3
60.04541	1.4
61.02922	0.6
61.04847	0.5
63.92960	0.4
65.03947	0.5
67.05497	0.7
69.03423	1.5
70.06599	11.1
70.97407	0.6
71.06924	0.3
72.08155	0.8
74.02453	0.5
78.95281	1.1
79.05500	0.6
81.03425	1.5
81.07075	0.5
83.08623	88.1
84.08142	5.5
84.08927	0.5
85.02913	2.5
86.99061	7.0
87.04460	0.3
91.05482	1.0
93.07030	1.2
95.04979	0.8
95.08611	0.3
97.02899	4.2
98.21446	0.3
99.04446	0.9
101.09659	2.9
102.15395	0.3
103.05499	0.7
105.00101	5.9
105.07050	0.9
107.08609	0.8
109.02891	2.7
110.05997	0.3
115.05462	0.8
116.07845	0.4
117.07015	1.1
118.06553	2.3
119.04948	0.6
119.08585	0.4
119.97909	1.4
120.08080	0.7
121.02852	0.9
121.06516	3.0
121.10158	0.3
122.94177	0.4
127.03918	1.5
129.06978	0.4
129.10289	0.3
130.08627	1.7
131.04933	0.4
131.08539	0.7
132.04420	0.4
132.08090	0.5
133.10138	0.4
136.07611	0.3
137.10156	1.0
140.95242	0.8
142.06581	0.3
144.08072	1.0
144.09232	0.3
145.06465	0.8
145.10068	0.7
146.06027	5.4
147.04404	1.1
149.02359	8.4
150.75604	0.3
158.96301	0.8
159.08031	0.7
159.09193	0.6
159.11694	1.2
160.10477	2.2
163.11182	0.7
163.96826	2.0
173.05980	0.6
175.07607	0.5
175.09151	0.8
177.09050	0.6
177.12744	1.7
181.60770	1.8
181.97934	2.1
187.03923	0.4
187.06084	0.3
187.07513	0.6
188.07066	5.4
205.04984	0.6
205.08565	2.0
205.12270	3.5
205.14101	0.5
205.15929	0.3
219.14954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.12617	0.9
50.89427	1.1
53.03942	1.1
55.05510	9.7
57.07071	2.3
60.04525	1.0
67.05510	31.6
69.07070	19.4
69.32378	8.3
79.05160	0.9
79.05508	8.2
81.07059	40.8
83.08620	5.9
91.05483	11.0
93.07051	17.4
95.08611	63.7
97.10168	1.5
105.07037	52.9
107.07883	1.7
107.08597	24.4
108.03378	0.8
108.84434	0.9
109.10160	79.4
117.07004	2.3
119.08588	50.8
121.10143	21.2
123.11710	9.8
129.06969	1.0
131.08543	1.8
133.10132	33.1
135.11716	6.0
145.10153	4.4
146.10962	1.0
147.11694	72.6
148.12410	1.0
150.38853	0.8
159.11697	1.8
160.12479	2.8
161.13268	21.1
175.14845	6.7
203.17964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.44705	1.2
53.03938	2.0
53.79671	1.0
55.05516	14.7
57.07054	3.1
60.04522	6.5
61.11557	1.1
63.48001	1.0
65.03933	2.1
67.05511	21.4
69.07070	37.8
69.74456	6.8
71.08617	1.1
79.05500	11.7
81.07060	67.1
83.08624	12.9
84.04504	3.8
91.05477	18.3
93.07051	24.3
95.04967	2.8
95.08611	57.4
96.04483	1.6
97.02885	1.4
97.10168	2.6
105.07035	73.3
107.08606	30.1
109.10162	40.6
109.10717	0.7
115.05420	1.3
117.07038	4.2
119.08588	77.9
121.06467	1.8
121.10145	25.5
123.11708	25.2
126.05534	3.3
128.06267	1.4
128.71303	1.1
129.07014	2.6
131.08556	5.3
133.10135	55.8
135.07990	1.1
135.11699	12.0
143.08585	1.8
145.10153	13.0
146.52975	1.1
147.04431	1.4
147.08029	2.4
147.11697	83.8
148.12439	3.4
157.10083	2.7
159.11687	5.2
160.08850	1.3
160.12509	5.9
161.09628	1.9
161.13266	28.3
175.07645	2.1
175.11227	1.4
175.14810	6.6
185.09512	1.4
185.13300	2.4
188.08261	1.5
203.03392	1.6
203.05379	1.9
203.06956	7.6
203.08968	1.7
203.10680	6.6
203.14307	21.1
203.17966	100.0
204.08725	2.3
204.13791	1.7
204.18335	2.5
205.62378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03941	1.7
55.05516	11.6
56.96568	1.3
57.07063	3.3
60.04509	4.2
65.03914	1.2
67.05505	17.0
69.07072	23.2
69.32616	5.7
69.33023	2.4
70.06573	1.0
70.60162	1.1
75.23460	1.3
79.05499	9.8
81.07058	56.0
83.08627	7.8
84.04488	1.9
86.26604	1.1
91.05473	12.4
93.07042	20.6
95.04952	1.4
95.08610	64.2
97.10153	2.8
105.07034	46.4
107.07883	1.9
107.08600	32.0
109.06557	1.2
109.10162	44.5
115.05376	1.4
117.07020	3.0
119.08585	48.4
121.10166	16.0
123.11710	17.9
126.05536	2.9
131.08583	4.4
133.06451	1.9
133.09122	2.0
133.10136	37.2
135.11690	6.2
140.13228	1.2
145.10132	8.4
147.11688	63.6
148.12427	1.7
157.10120	2.7
159.11717	2.4
160.12459	3.4
161.09621	2.7
161.13255	21.6
175.11241	1.4
175.14865	5.3
175.18927	1.6
185.13290	1.4
193.01556	1.3
203.03326	1.4
203.07033	4.1
203.10686	4.2
203.14359	7.8
203.17967	100.0
204.08830	2.0
204.13901	1.4
204.18242	1.2
218.01155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.36954	0.3
54.51587	0.3
55.01865	1.5
55.05516	1.7
56.05036	2.9
56.96567	15.0
57.03441	2.6
57.07054	0.6
58.99579	0.8
59.05006	2.3
60.04528	22.3
60.95846	1.1
61.02922	2.3
62.92992	0.8
63.92923	0.5
67.05485	1.4
68.05039	3.2
69.03443	2.7
69.07072	19.1
70.06209	0.4
70.06594	8.2
70.18761	1.6
70.98110	1.2
71.01337	0.6
71.04997	1.0
71.95258	0.6
72.04508	0.5
72.08159	2.1
73.02914	3.7
73.06563	0.7
74.06075	0.9
75.94534	0.3
78.95271	1.6
79.05491	0.6
81.03418	1.9
81.07029	0.6
83.01367	0.5
83.04977	1.6
84.04518	6.0
84.08147	6.3
84.96033	1.1
85.02907	6.0
85.06542	1.0
85.08924	0.9
86.06048	0.5
86.09708	3.2
86.97597	0.4
86.99018	0.5
87.04475	0.8
87.06371	0.3
87.09510	0.5
87.10029	2.6
88.03971	1.6
88.04813	0.7
90.01587	0.4
90.05560	23.5
90.94810	0.4
91.05482	2.2
95.04963	1.2
95.06094	0.9
96.01506	0.4
96.04499	7.0
97.02307	0.7
97.02895	9.0
97.06536	0.7
98.01289	0.6
98.03171	0.4
98.06062	2.0
98.09698	27.4
98.97589	9.1
99.04459	1.6
99.97933	0.4
100.99215	0.4
101.00903	0.7
101.02435	0.4
101.09641	0.6
101.95017	0.6
102.05532	2.1
102.96875	14.3
103.03942	0.5
104.01233	0.5
105.00190	0.5
105.02066	0.4
109.02885	1.4
110.01310	0.4
110.06058	1.4
110.97569	2.4
111.04451	0.4
112.02184	1.7
112.11285	0.4
112.99113	1.0
113.05978	0.6
114.05535	4.9
114.09167	0.7
115.00652	0.5
115.03925	0.6
116.04240	0.5
116.07083	0.6
116.10714	1.6
116.98637	3.9
117.07072	0.3
119.01866	1.6
119.04956	3.4
119.97910	0.9
120.08092	1.0
120.51288	0.3
120.97905	9.2
121.01666	1.0
121.96645	3.4
122.94244	0.9
123.04441	0.5
123.08072	0.4
124.99072	0.4
125.01788	0.6
126.04598	0.4
126.05523	7.6
127.01538	0.9
127.03925	1.6
128.02330	0.9
128.98608	2.2
129.02063	0.4
129.10249	1.0
130.06480	0.6
130.08636	1.8
131.00148	0.9
131.01846	0.8
131.04956	0.6
132.00809	0.4
132.10193	1.2
132.95866	0.3
133.01579	0.5
133.02823	0.4
133.10555	2.1
134.02283	1.2
134.99672	1.1
138.03461	0.6
138.05524	2.2
138.98959	3.3
140.01654	1.0
140.07050	0.4
140.95279	0.7
140.98596	0.5
141.05472	0.4
143.00174	1.8
143.01863	0.6
144.03612	1.2
144.06564	1.0
144.10205	2.5
144.98149	0.8
145.01616	0.4
145.04997	1.2
146.02324	1.0
146.04111	0.4
146.99673	1.5
147.03265	0.9
147.04404	13.4
148.04730	1.0
149.01221	0.7
149.02335	1.0
154.05008	0.4
155.01010	0.7
155.04677	0.6
156.03479	0.7
156.06566	0.9
158.02699	1.1
158.11772	100.0
158.96344	0.7
158.99683	2.2
159.03282	1.1
159.12091	1.0
160.00175	0.4
160.03870	0.5
160.09698	1.7
160.12340	1.8
161.01237	1.0
161.03030	0.6
161.04721	0.5
162.00510	0.6
162.99185	0.3
163.02657	1.2
163.96852	1.8
168.06564	2.6
168.13919	0.5
170.02170	0.4
170.99681	0.6
172.97610	0.6
173.01135	0.6
173.02982	0.9
175.09232	0.4
177.00732	1.5
177.04305	0.9
178.98682	0.4
179.69231	0.3
181.00182	0.4
181.60730	0.5
181.97820	2.6
183.03090	2.5
186.02222	3.1
186.05771	0.3
186.07639	1.4
186.99086	0.5
188.10695	0.4
189.00755	0.6
189.11472	0.7
191.02292	0.7
192.03636	1.6
199.01155	0.6
201.00690	0.6
201.04218	0.4
203.02258	0.7
204.03166	0.7
204.06720	0.7
204.08661	10.6
204.10237	1.2
204.12302	2.9
204.13994	3.8
204.15831	0.8
208.99721	0.5
219.01764	2.6
221.01311	0.6
222.04462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
54.17923	0.8
55.01870	4.1
55.05513	2.3
56.96571	11.9
57.03432	1.2
60.04519	3.3
61.01147	1.1
61.02937	1.2
67.47010	0.9
68.05038	1.6
68.70128	0.8
69.03431	2.4
69.07085	1.2
69.80954	0.8
70.03753	0.9
70.06600	5.5
70.62535	2.6
70.98119	1.5
72.08159	5.7
73.02929	2.0
73.08487	2.3
78.75000	1.0
81.03410	1.1
81.07056	1.6
82.07391	1.4
84.04525	2.4
84.08166	5.2
84.95968	0.8
85.02895	1.7
86.06076	2.0
86.09716	100.0
86.37791	1.0
87.04481	10.6
87.06401	1.3
88.04021	1.3
88.04799	4.1
90.05555	1.0
91.00517	1.2
91.05534	1.2
95.08620	1.0
96.04474	1.5
97.02914	3.1
97.06510	1.1
98.06061	6.5
98.09720	1.4
98.97596	13.4
99.06390	5.2
100.02228	0.9
101.00891	1.3
101.97201	0.9
102.05573	1.7
104.05309	1.0
110.97598	2.1
112.11284	1.7
114.05534	2.0
115.03946	5.1
116.07127	1.7
116.98623	4.8
119.01926	3.7
119.04949	1.0
120.08159	1.1
120.97971	1.1
121.01690	1.4
126.00836	0.9
126.05515	1.4
127.01581	1.5
128.95187	1.1
128.98657	1.4
129.10275	1.3
132.10217	80.5
133.03398	0.9
134.99660	1.7
137.02916	1.2
140.10689	1.4
140.98624	1.7
141.11047	8.4
143.03427	11.7
147.04434	4.8
157.13374	12.6
158.11787	19.7
158.99716	3.7
159.12137	29.6
161.02972	1.6
173.02905	1.3
174.99196	0.9
175.06009	1.1
175.07466	1.0
177.00690	2.2
185.12943	1.1
203.05411	4.1
203.07056	1.7
203.10779	1.6
203.14091	7.5
204.08646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.71859	0.7
53.03964	0.7
55.05517	8.4
57.04985	0.7
57.07074	2.7
57.32090	0.7
60.04543	1.5
64.52537	0.7
67.05507	20.0
69.07070	11.6
69.82389	3.6
70.51068	0.6
71.08639	0.7
79.05497	6.0
81.07059	34.6
83.08626	8.6
90.97779	0.9
91.05485	13.2
91.43820	0.7
93.07050	11.8
95.08611	41.0
97.10159	1.4
98.21445	0.9
101.06828	0.7
103.05496	0.8
105.07034	62.4
107.08599	13.7
109.10162	40.3
117.07037	1.8
119.08582	50.8
121.10146	10.8
123.11713	37.5
129.07033	1.4
131.08572	3.0
133.06421	1.1
133.09122	1.6
133.10130	32.2
134.09628	1.1
135.11678	4.9
137.81726	0.7
145.10086	5.4
147.11691	100.0
149.05644	0.8
151.67319	0.7
157.10141	1.0
159.11693	1.8
160.12445	2.0
161.09746	0.9
161.13246	12.0
174.13976	0.8
175.07545	1.6
175.14830	2.4
188.08394	0.9
203.07013	1.8
203.10663	2.3
203.14200	3.0
203.17963	73.8
204.17661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.43487	0.6
52.91385	0.8
53.61540	0.7
54.71710	0.8
55.05523	4.6
57.07083	4.1
59.81728	0.8
65.03954	1.0
67.05508	11.0
69.07077	8.4
69.57887	5.0
70.06580	0.8
71.05005	1.7
71.08617	1.3
79.05508	7.0
81.06597	1.3
81.07062	20.9
83.08607	3.2
85.06542	2.0
86.31744	0.7
91.05486	11.6
93.07053	19.1
95.04958	1.2
95.08619	20.6
97.06419	0.8
99.36799	0.7
103.05466	0.7
105.07035	28.3
107.07893	1.4
107.08604	24.0
109.06508	0.8
109.10155	8.8
115.05466	1.4
116.06226	0.9
117.07030	11.0
118.96781	1.8
119.08594	18.4
121.09339	1.5
121.10159	21.4
123.11675	1.7
127.03941	1.9
128.06242	1.2
129.07037	3.4
130.07788	7.2
131.08583	31.1
133.10133	7.6
142.07747	1.4
143.08569	5.3
144.09369	4.2
145.10136	85.7
146.10976	3.8
147.11690	3.2
155.08510	1.3
157.06514	1.7
157.10167	6.1
158.07275	2.4
158.10934	3.8
159.11708	57.1
160.12300	0.9
171.11693	3.5
172.12494	2.1
173.05937	1.7
173.09738	0.9
173.13281	15.1
183.06488	0.9
186.06676	1.2
186.14107	1.8
199.14812	1.5
201.05573	3.7
201.09152	8.6
201.12682	2.4
201.16399	100.0
201.20369	2.8
202.16681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.7
64.57740	0.4
70.31255	1.6
82.99837	3.7
83.99929	0.9
84.32891	0.4
98.97582	1.7
100.02493	0.7
101.00888	45.9
101.97217	1.6
102.00950	13.5
102.96894	3.1
103.00637	1.3
113.00870	1.1
116.98617	0.6
119.01929	100.0
119.98287	0.5
120.02010	33.5
120.96538	0.7
120.97908	1.0
121.01663	3.3
121.02377	0.5
124.02502	0.6
125.02556	2.2
131.01936	1.5
133.03461	0.9
137.02965	19.9
138.03049	5.7
139.02606	0.5
142.03534	3.9
143.01961	4.0
143.03630	15.8
144.02060	0.8
146.53194	0.5
156.97484	0.7
157.03523	2.8
157.34320	0.4
160.04605	1.3
161.02969	25.3
161.04651	3.0
162.03079	12.3
162.04434	0.6
163.02690	1.1
172.52145	0.6
173.02959	1.3
175.04482	0.9
179.00708	0.9
179.04024	27.8
179.99228	0.7
180.04143	18.8
181.03735	0.6
181.52763	2.5
184.03069	1.2
185.03021	0.6
185.04761	1.0
191.03969	1.8
193.03613	2.2
203.04057	1.8
203.05681	0.8
203.07315	0.5
221.01750	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	203.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
54.83668	0.8
55.01870	1.6
55.05510	9.1
56.05022	1.2
56.96552	2.2
57.03437	10.4
57.07081	1.2
58.99580	2.0
60.04527	3.9
66.63626	0.7
67.05508	15.9
68.99793	2.6
69.03419	3.5
69.07069	13.0
70.23008	0.8
70.23343	3.1
71.04977	1.4
71.08635	1.5
73.02908	2.3
73.06561	0.9
73.14502	0.8
75.16607	0.8
79.05492	7.6
81.03413	1.0
81.07062	9.9
83.04987	2.1
83.08600	4.7
84.04486	1.1
84.08155	2.0
85.02905	2.0
85.06532	1.0
86.09698	3.6
86.99044	1.8
87.00852	1.5
91.05484	9.9
93.07047	58.1
95.04990	5.9
95.08614	22.5
96.89771	0.8
97.02920	2.0
97.06535	19.7
98.97593	4.2
99.08084	1.0
104.77548	0.7
105.00079	1.1
105.04472	0.8
105.07022	2.8
106.04894	1.9
107.04946	1.4
107.08621	2.3
109.06530	2.0
110.97565	1.4
111.08089	23.8
111.81216	0.7
115.03958	1.1
115.05398	1.2
115.07571	1.4
116.98613	1.2
119.04946	0.7
119.08604	1.9
120.53825	3.3
121.06516	8.3
121.10162	4.2
123.08082	22.3
125.06004	11.1
126.05478	1.4
128.06300	0.8
129.04355	1.3
129.06975	2.0
130.06551	1.6
131.08617	1.1
133.06490	1.4
133.10138	0.8
135.08052	1.4
136.07622	1.5
139.07544	100.0
139.11198	2.8
142.07809	1.4
143.07053	5.3
143.53198	8.6
147.04439	4.9
147.08044	1.5
149.06020	1.4
157.06534	0.8
157.07639	2.6
157.08730	1.0
157.10126	1.0
158.99673	2.2
159.08064	2.3
161.08167	1.0
161.13278	1.3
166.53514	1.6
167.07048	55.9
168.05357	1.2
172.13448	0.8
175.04222	0.8
175.07584	1.9
175.11273	1.2
177.00768	1.2
182.05159	1.7
185.08113	13.7
185.09618	2.0
186.02016	0.8
188.08374	1.9
191.05794	2.1
195.30876	0.8
203.03470	5.0
203.05206	1.3
203.07047	3.3
203.08978	3.8
203.10750	9.0
203.12451	1.5
203.14252	2.0
203.18329	2.4
204.08662	1.8
217.07378	0.8
223.66766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0915
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
51.72554	0.6
52.79755	0.5
53.03937	2.1
55.01874	1.4
55.05513	12.9
56.05020	0.7
56.96568	3.4
57.03441	12.6
57.07089	0.7
58.99585	0.7
60.04527	3.5
61.02945	0.9
65.03944	1.0
67.05508	16.0
68.99786	2.6
69.03441	3.1
69.03732	0.5
69.07076	10.2
69.35376	4.8
70.06597	1.5
71.04989	2.6
71.08631	1.5
72.08144	0.9
73.02920	1.1
79.05487	4.0
81.03422	0.8
81.07052	7.0
83.04997	1.7
83.08625	4.7
84.04519	1.1
84.08138	1.5
85.02899	2.3
86.09715	6.9
87.00836	1.7
87.04472	1.2
91.05482	9.6
93.07050	55.9
95.04989	6.7
95.08611	18.7
96.04500	1.1
97.02906	2.7
97.06534	9.6
98.02436	0.7
98.20737	1.0
98.97585	8.0
99.04446	0.7
101.06052	1.0
105.04517	1.5
105.07039	3.5
107.04956	1.0
107.08595	2.0
109.06501	1.4
109.10117	0.6
111.04509	1.0
111.08086	19.4
113.06035	0.6
115.05462	2.1
115.07582	0.7
116.98631	2.8
117.07010	1.1
119.01834	1.5
119.04930	0.9
119.08569	2.0
120.96536	0.7
121.06522	5.2
121.10167	3.5
121.20457	0.6
123.08070	20.1
125.05985	3.1
126.05496	1.0
127.03899	0.9
128.02344	2.5
128.06172	0.8
128.98611	1.0
129.07014	2.1
130.06531	1.6
131.04893	0.7
131.08556	1.1
133.06491	2.5
136.21550	0.5
139.07547	100.0
139.11182	2.4
140.07878	0.7
142.07780	2.3
143.07146	0.7
143.08540	0.8
143.53185	1.5
144.05685	0.8
144.10236	0.8
145.06491	1.0
145.10170	0.7
146.07306	0.7
147.04407	10.3
147.11694	0.9
149.05972	1.6
157.06519	0.9
157.07639	2.9
157.08760	0.7
157.10144	2.1
157.12247	1.8
158.11743	0.6
158.99669	3.4
159.08075	3.0
160.05103	0.8
161.09621	1.2
167.07048	46.8
168.05470	1.7
172.08946	0.6
175.07599	1.7
175.11159	1.3
177.00711	2.9
177.06082	0.7
182.05185	2.1
185.08095	5.4
185.09673	4.0
188.08372	0.8
190.65079	0.7
191.05757	3.1
203.03450	11.2
203.05322	1.5
203.06726	3.9
203.08926	1.3
203.10730	10.8
203.12617	1.3
203.14191	1.0
203.18321	1.9
204.08569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1282
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.31278	0.3
55.05510	1.2
56.04436	0.4
56.05032	0.8
56.96564	0.9
57.03430	1.2
67.05520	0.4
69.03436	0.8
69.07076	0.9
70.06568	0.8
70.64026	1.0
71.08634	6.3
72.08137	0.5
81.07056	1.0
84.04001	0.4
84.04506	10.9
84.08144	1.3
85.02906	19.1
85.06580	0.4
86.09705	2.4
87.04469	1.0
88.11273	1.6
93.07040	0.5
95.01321	1.3
95.04955	0.4
96.08126	0.7
98.06039	0.4
98.97589	11.2
102.05545	13.0
104.96380	0.5
110.06028	1.4
111.04430	0.4
112.03976	1.5
112.04672	0.4
116.98624	6.6
123.06754	0.4
124.07612	1.9
129.10271	0.4
130.05005	87.0
131.05324	0.3
134.99664	2.1
136.06216	0.7
137.06050	0.3
138.09129	2.4
140.00151	0.6
140.07068	0.6
141.10162	0.5
148.97716	0.4
154.08644	0.9
154.12268	0.9
155.11792	0.4
165.05609	0.5
172.13313	0.8
176.98361	0.7
177.00723	0.9
182.08093	1.0
182.11794	1.1
200.12822	100.0
200.19060	1.5
201.13168	0.6
205.02734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1647
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
53.03960	0.3
53.40233	0.3
55.01875	0.7
55.05513	3.8
55.62674	0.4
56.05037	0.4
56.96561	1.3
57.03426	0.8
57.07064	0.5
57.85472	0.3
58.06605	10.2
67.05515	3.5
68.05013	0.4
69.03428	0.6
69.07078	5.9
69.78271	0.9
69.78684	0.9
70.06579	1.2
71.04986	1.5
72.08155	1.3
74.09748	0.3
76.55716	0.3
77.85059	0.3
79.05497	2.0
80.05021	0.4
81.03436	0.5
81.07063	13.3
81.07536	0.7
82.06573	0.6
83.05004	0.6
83.08617	1.9
84.04523	0.4
84.08144	2.3
85.02887	0.4
85.06538	0.9
86.06070	0.5
86.09718	2.5
91.05463	1.0
93.07056	1.1
95.04985	0.9
95.08619	3.2
96.04476	0.4
96.08105	0.4
97.06533	0.8
98.06048	0.9
98.09692	0.9
98.97591	17.7
99.04484	0.4
101.05988	0.5
102.05581	0.4
103.05463	0.4
104.10720	0.6
105.07019	2.3
107.08598	1.0
109.06538	1.3
110.06059	2.1
111.08101	0.7
112.04756	0.4
112.07603	2.6
112.62699	0.3
113.06010	0.7
114.98284	0.4
116.97292	0.5
116.98632	9.7
118.66852	0.3
119.08585	2.0
121.10138	2.2
122.05998	0.4
122.06807	0.4
123.04460	0.8
123.08072	1.2
123.11709	5.1
124.07585	0.7
126.09179	0.5
127.07555	1.0
130.08640	1.1
134.99680	3.2
135.95633	0.3
136.03996	0.6
137.06004	1.1
139.86922	0.3
140.07025	0.4
141.04988	1.0
141.10193	0.4
144.10243	0.5
147.11707	4.3
148.97664	0.7
153.00783	0.3
154.05028	0.3
154.08586	0.6
154.12250	0.6
155.11804	0.4
158.01291	0.5
158.99669	0.6
164.14391	0.5
165.12785	1.0
168.07477	0.5
176.98405	0.5
177.00768	1.1
182.11821	0.9
182.15413	6.8
195.01770	0.5
199.16757	0.4
200.05244	0.7
200.09163	0.9
200.12827	2.8
200.16476	100.0
201.16733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.29588	0.8
54.16681	0.8
55.05523	5.0
57.03455	1.3
57.07068	3.2
67.05500	8.3
69.07072	5.9
70.95565	1.3
70.95886	1.0
71.05001	1.2
71.08616	3.0
79.05502	6.5
81.07061	25.1
82.48299	0.9
83.08599	1.6
85.02908	2.8
91.05494	9.7
93.06485	1.4
93.07055	21.1
95.08614	24.0
103.05445	1.1
105.07040	30.3
107.07887	1.5
107.08605	24.2
109.06512	2.0
109.10146	7.0
115.05415	2.3
116.06249	1.4
117.07027	10.4
118.96796	1.2
119.06046	1.2
119.08588	20.6
121.10149	14.6
123.08080	1.1
123.11677	2.7
127.03899	2.3
127.07583	1.1
128.06175	1.6
129.07004	2.2
130.07814	4.2
131.08585	33.2
133.10144	8.9
137.06087	0.9
137.07254	1.0
143.08601	6.0
144.09396	5.2
145.10138	100.0
146.10933	4.3
147.11671	3.9
157.06494	3.3
157.10129	5.3
158.03687	1.2
158.07286	2.3
158.10896	3.3
159.11707	51.4
171.11746	1.2
172.12543	1.0
173.05972	2.7
173.13283	20.9
177.98073	1.6
183.13812	1.8
186.06795	1.5
186.14081	2.0
201.05508	7.8
201.09099	9.5
201.12732	5.3
201.16397	98.4
201.20361	2.8
207.16380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04185	1.1
55.01867	3.8
56.05037	1.2
56.96569	13.8
57.03180	1.9
57.03440	13.9
61.02936	8.9
69.03436	11.5
69.07061	1.7
69.57986	8.2
70.06589	2.6
71.04988	1.5
71.95274	1.7
72.08158	3.0
72.50409	1.1
73.02922	23.7
81.03403	4.2
81.07073	1.2
82.01451	1.4
83.00771	2.1
84.04504	2.5
84.08099	2.9
84.96030	2.1
85.02910	17.0
86.03673	2.4
86.06054	4.5
86.09738	1.5
87.04467	7.2
89.00796	1.9
92.01302	1.7
95.00765	3.8
97.02890	10.9
97.06528	4.7
98.01330	2.0
98.20819	2.2
98.97591	100.0
99.04444	4.0
99.08087	1.9
99.63853	1.3
100.02476	3.5
100.07666	2.0
101.00848	8.9
101.02393	1.4
102.01585	1.3
102.02255	3.4
104.01290	3.5
105.02255	2.0
108.01535	1.4
109.02886	2.5
110.01289	9.1
110.97584	13.2
112.99108	1.8
113.00859	3.6
114.09192	2.6
116.01282	3.3
116.98634	37.7
117.02025	1.6
118.03544	1.9
119.01850	25.6
122.01264	1.7
124.99137	2.8
125.01797	5.4
126.09150	1.4
127.03920	4.3
128.02309	7.3
128.98610	10.3
131.00212	1.4
131.01869	15.5
133.01663	1.3
133.03427	2.1
134.02304	3.2
134.99683	10.9
137.01894	1.9
137.02885	6.2
140.00201	2.9
140.02299	5.7
140.98557	2.4
143.00160	6.2
143.01758	3.2
145.01604	1.2
145.04987	2.4
146.02319	10.9
146.99655	3.5
147.03110	2.6
149.02921	5.4
152.02315	5.7
154.03540	6.3
155.01740	2.2
155.02858	19.1
156.05083	1.9
158.99661	14.6
161.01302	3.0
161.02843	16.0
164.03351	3.9
168.01387	2.7
170.03419	10.3
170.99648	8.3
172.02751	2.6
172.08116	1.5
173.02911	4.1
177.00717	10.9
177.02429	6.0
182.03186	9.5
182.99693	1.9
183.11357	1.3
186.03186	1.6
189.00687	7.5
191.03923	19.8
195.01770	2.1
200.03044	6.4
200.04318	13.3
200.11110	1.6
200.12831	5.5
201.00685	6.9
201.02469	4.9
213.05411	1.3
218.05096	2.4
218.08714	2.3
219.01776	9.9
219.03549	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	200.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.3
55.01866	0.8
56.05049	0.2
56.96569	10.0
57.03442	1.7
57.07064	0.2
58.96148	0.2
58.99871	1.2
61.02665	0.2
61.02933	1.7
68.98304	0.7
69.03439	1.3
70.06602	0.4
70.98122	1.9
70.99863	3.3
71.04998	0.3
71.07905	0.4
71.95258	1.9
72.08148	0.8
73.01440	1.3
73.02926	2.0
77.00897	0.6
80.00272	0.3
80.23615	0.2
81.03412	0.6
81.07040	0.3
82.01455	4.0
84.04507	1.1
84.08150	0.6
84.96053	1.1
85.02904	2.4
86.03674	0.3
86.99342	0.9
87.04468	0.3
88.99154	0.5
89.00884	1.5
91.02463	1.4
97.02912	1.3
97.96795	0.3
98.01324	0.6
98.97593	100.0
99.04472	0.3
99.97918	0.5
100.02485	4.2
100.07643	0.3
101.00871	2.4
102.00993	0.6
102.02231	0.4
103.00610	0.4
107.01867	0.6
108.97739	0.3
109.03542	0.3
109.06519	0.3
109.15594	0.2
110.01294	1.0
110.97571	2.4
112.01009	0.2
113.00914	0.7
113.01736	0.2
114.04034	0.4
115.00659	0.4
115.02458	0.3
116.01282	0.4
116.98630	44.3
118.01105	0.4
118.03553	1.2
119.01891	4.3
120.02021	0.7
121.01672	0.4
124.02493	0.2
124.99167	0.2
125.01758	0.3
126.38979	0.2
126.98784	6.2
127.03930	0.7
128.02341	0.8
128.98621	1.6
129.00333	0.2
131.00175	0.4
131.01904	1.5
132.05060	0.3
133.01645	0.3
133.03423	0.7
134.02397	0.2
134.03575	0.4
134.99670	11.6
136.02693	0.2
136.06232	0.3
137.01852	0.3
137.02908	0.8
137.05977	0.4
140.00201	2.3
140.02385	0.3
140.52448	0.2
140.98668	1.1
141.98686	0.4
142.03506	1.1
143.00171	0.5
143.01938	0.3
144.02028	0.2
144.99834	7.8
145.01587	0.3
145.03403	0.4
145.04990	0.3
146.02327	1.2
146.99556	1.0
147.01418	0.6
147.03256	0.3
149.02966	0.8
150.00394	2.7
150.99147	0.2
152.02397	0.4
153.00728	0.9
154.03571	0.6
155.02919	1.3
156.03349	0.3
158.01265	2.5
158.99678	3.8
159.01419	2.5
159.05069	0.8
161.02902	0.7
162.99133	0.2
163.00909	0.5
163.02768	0.3
164.03337	0.3
168.01440	13.9
169.01648	0.3
170.03345	0.5
170.99701	1.1
173.02986	0.5
174.99174	0.3
176.02330	0.5
177.00749	6.8
177.02480	11.5
177.05885	1.0
182.03000	1.9
183.08536	0.2
183.11363	0.3
186.02562	0.8
189.00763	0.9
191.03943	1.1
195.01794	1.8
195.03552	1.7
200.04099	10.8
200.12686	0.3
201.00761	0.5
201.02435	0.4
201.04169	0.3
207.01711	0.3
214.34375	0.3
218.05144	0.8
219.01805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03948	1.2
54.83327	0.7
55.01887	1.2
55.05516	2.6
56.96576	0.8
57.03442	1.0
57.07088	1.4
58.09422	0.7
59.05006	2.5
64.19578	0.7
65.03931	1.4
66.34354	0.6
67.05515	5.1
69.03431	1.2
69.07073	1.4
70.91092	1.9
70.95859	5.2
71.04974	1.0
72.93797	2.5
73.02918	1.4
76.81325	0.7
77.03962	0.7
79.05116	0.7
79.05484	3.4
81.07062	7.6
83.04966	1.2
83.08624	1.1
85.06544	0.9
85.49593	0.6
91.05482	12.9
91.06020	0.9
93.07048	21.1
94.38805	0.6
95.04980	7.0
95.08633	4.7
97.06570	0.8
99.56818	0.7
105.07034	23.0
105.74206	0.7
107.04955	0.9
107.08602	61.2
109.06564	3.9
109.10170	6.7
111.08071	0.8
111.98454	5.5
113.96335	0.8
117.07058	0.8
119.04894	1.2
119.08600	8.8
121.06492	5.4
121.10137	1.1
123.04417	2.0
123.08054	1.4
123.11713	3.0
125.06020	1.0
129.99554	2.0
130.54059	0.7
131.08563	2.2
132.95847	13.3
132.96825	1.1
133.10141	60.5
135.08069	1.7
135.11697	53.3
137.05971	4.9
137.09596	4.4
143.08537	1.6
146.07294	1.5
150.96898	9.1
151.03923	4.3
151.07483	1.1
151.11224	4.9
155.08656	0.9
155.97453	9.3
161.09630	32.1
173.98508	9.2
179.10683	100.0
197.11740	99.3
198.18494	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	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	3.4
55.05513	28.3
57.03439	3.5
57.07076	2.8
59.04990	0.8
65.03936	1.4
67.05505	34.5
69.03422	1.5
69.07070	27.8
70.95861	1.7
71.00970	1.0
71.01358	11.7
71.04995	16.1
72.93786	1.2
73.06556	1.2
77.03986	0.4
79.05495	17.4
81.03432	0.5
81.07057	75.9
83.04987	6.2
83.08619	22.0
83.09354	0.5
85.02881	0.7
85.06546	17.9
85.10181	0.9
87.04471	0.6
91.05481	21.5
92.95231	0.4
93.07047	24.2
93.69013	0.5
95.04975	1.8
95.08608	100.0
96.08936	1.0
97.06534	30.2
97.10175	8.5
98.63094	0.4
99.08091	6.6
101.06010	1.3
105.07035	24.2
107.08591	14.7
109.06508	4.2
109.10161	11.0
111.08087	6.5
111.11713	0.5
111.98484	3.0
113.06027	0.8
113.09652	1.8
113.96384	0.5
115.07578	1.8
117.07011	1.5
119.08585	36.8
120.36504	0.4
121.09322	0.9
121.10152	11.1
123.08069	7.9
123.11696	0.9
125.09617	2.2
127.07557	2.0
129.09135	0.6
129.99498	0.5
132.95834	5.8
133.10136	27.6
135.11693	18.9
137.09602	4.1
137.13260	17.5
139.07521	0.8
141.09085	1.6
149.13249	1.2
150.96883	3.7
151.11197	1.1
151.14809	1.0
152.42870	0.4
155.10669	10.3
155.97421	4.7
159.11778	0.6
161.13257	63.3
162.13577	0.6
168.94188	0.4
173.98460	4.1
179.10806	2.8
179.14311	31.3
197.06065	0.8
197.08029	0.6
197.09834	0.8
197.11719	6.5
197.13342	0.6
197.15355	18.3
198.18541	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	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98617	0.4
56.96301	0.5
56.96567	5.6
57.03428	0.5
58.72347	0.3
59.05613	0.3
61.02948	0.5
70.20659	0.3
70.92152	0.6
70.92506	0.4
70.98117	0.5
71.95278	1.8
72.44205	0.3
72.97749	0.3
73.02918	0.5
82.01445	0.7
84.96048	0.3
85.02910	0.8
87.04495	0.4
98.97592	100.0
99.04462	0.3
100.02493	0.8
101.00883	0.4
102.00920	0.5
110.97556	0.6
113.00858	0.9
116.98631	38.2
117.00170	1.8
118.01035	0.7
119.01910	1.0
125.23377	0.3
126.00764	1.2
127.01569	1.2
128.02341	0.3
128.07138	0.4
128.98621	0.4
131.01912	2.9
133.03497	0.5
134.99673	8.9
135.00679	0.6
138.52319	0.4
140.00198	1.9
141.00316	0.4
144.99884	0.4
146.02333	0.5
147.01343	0.5
149.02995	0.7
153.00783	0.4
154.03537	2.0
155.02864	0.4
156.05086	0.5
158.01277	1.4
158.99680	1.8
159.01427	0.5
170.03365	0.5
172.04561	0.5
176.02296	0.4
177.00757	4.4
177.02443	1.7
182.02968	2.5
195.01863	1.6
195.03398	0.4
200.04050	3.7
201.00824	0.3
201.02492	0.4
218.05267	0.6
219.03578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03919	1.3
55.01862	1.4
55.05500	4.9
55.93515	1.5
59.04990	3.0
67.05490	5.9
69.07057	3.2
70.59435	1.2
70.95407	2.3
70.95879	9.0
72.93780	4.6
79.05480	4.4
79.18899	1.4
81.03425	1.5
81.07054	10.0
83.04961	2.8
85.06531	1.6
91.05481	17.0
93.07047	23.1
95.04959	7.6
95.08622	3.5
97.06536	2.2
99.04467	1.8
103.51572	1.3
105.07040	24.6
107.04987	1.5
107.08595	65.7
109.06524	6.4
109.10155	7.5
111.98477	10.8
113.05946	1.5
119.04950	3.0
119.08582	9.5
121.06499	6.2
121.10085	1.3
123.04442	3.9
123.08001	1.4
123.11671	3.7
125.06016	6.4
127.03876	2.8
129.99544	3.4
131.08554	2.2
132.95833	25.1
133.10135	69.3
135.08046	2.8
135.11693	63.7
137.06004	7.0
137.09567	3.2
143.08513	1.8
150.96889	16.3
151.03917	3.1
151.11179	5.9
153.06953	1.5
155.08549	2.9
155.97424	18.0
161.09624	34.7
169.10118	2.8
173.98518	14.0
179.10681	100.0
182.25722	1.4
197.00108	2.0
197.11731	95.1
197.13165	3.6
198.18515	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.80109	0.7
53.03962	1.0
55.01873	1.1
55.05514	3.8
57.07075	1.0
59.04996	2.3
59.06609	0.6
65.03938	1.2
65.09656	0.6
67.05510	6.8
68.99773	0.7
69.03427	1.7
69.07082	1.9
69.37527	1.2
69.37928	3.3
70.95864	7.2
71.05019	1.0
72.93785	4.7
77.03938	0.8
79.05493	5.5
81.03427	0.8
81.07062	8.6
83.04991	1.8
83.08635	0.9
85.06549	1.8
88.96898	0.8
91.05482	14.7
93.07047	22.2
95.04975	9.0
95.08604	5.0
97.06562	1.7
103.05425	0.8
105.07031	24.1
107.04981	1.0
107.08599	62.4
109.06528	6.1
109.10165	7.1
111.98473	7.5
113.06001	1.0
113.96413	1.0
114.94813	1.0
115.05491	0.9
117.07040	0.8
117.89497	0.6
119.04951	2.1
119.06113	1.2
119.08572	8.9
120.08073	0.6
120.09392	0.8
121.06494	5.0
121.10168	2.2
123.04420	3.1
123.08088	1.3
123.11746	4.1
125.06016	1.2
128.14041	0.6
129.99501	1.6
131.08578	2.4
132.95842	18.0
133.06509	1.0
133.10133	66.2
135.08069	1.7
135.11693	50.7
137.05969	4.3
137.09608	7.2
141.05481	0.9
141.07004	0.8
143.08600	1.9
146.07283	1.6
149.09555	0.7
150.96896	11.5
151.07642	0.9
151.09468	2.0
151.11191	6.4
153.09142	0.9
155.08392	0.8
155.97427	12.5
161.09621	32.7
161.13260	1.0
167.08452	0.7
167.10660	1.5
167.22177	0.7
169.06499	1.6
169.10120	1.1
173.98508	11.9
173.99933	1.0
179.10678	100.0
179.14157	2.0
180.11066	1.0
182.10971	1.0
197.00050	0.8
197.05963	2.8
197.11732	74.3
197.13184	3.8
198.18506	2.9
212.17831	0.6
219.56062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03931	2.1
55.01876	5.5
55.05505	6.4
57.03421	1.2
59.04977	1.0
61.02925	1.4
61.91345	0.8
65.03930	1.2
67.05517	5.4
69.03403	3.5
69.07056	3.0
69.59255	1.4
69.59663	3.5
70.02975	0.8
70.95868	10.7
71.04984	2.4
72.93788	5.6
79.05495	10.3
79.30878	1.0
81.03403	3.1
81.07059	22.0
83.04967	2.6
84.08104	1.5
88.96886	1.0
91.05482	19.0
93.06490	1.2
93.07043	19.4
95.04954	4.1
95.08602	7.0
97.06515	2.5
98.21510	1.8
105.03382	1.8
105.07037	26.9
107.08596	100.0
108.08877	1.0
109.06536	10.5
109.10164	6.5
111.04438	3.0
111.08120	1.2
111.98489	13.7
113.05989	1.3
113.96410	1.8
114.94784	1.6
119.04911	2.4
119.07814	1.4
119.08591	17.2
121.06492	3.7
121.09341	1.3
121.10158	14.9
123.08055	2.8
123.11680	3.1
125.05992	13.7
125.09611	1.4
127.03922	5.9
129.99501	2.9
131.08568	3.4
132.95837	30.5
133.06499	1.0
133.10136	62.2
135.08038	1.8
135.11685	6.0
137.05984	58.8
137.09595	6.0
139.07562	3.2
143.08572	4.7
146.07256	1.6
149.09613	9.5
150.96895	19.2
151.03941	2.1
151.07501	2.8
151.11191	21.8
155.07036	1.0
155.08368	1.0
155.97435	19.6
156.49361	0.8
161.09627	20.7
161.13234	1.3
167.10683	28.4
169.06435	1.5
169.10147	2.1
173.98494	22.6
179.10669	52.4
180.06549	1.1
182.10854	1.0
197.05969	2.5
197.11717	80.5
198.18562	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01856	1.1
55.05524	0.9
57.03439	0.4
57.07064	0.5
59.04997	1.4
62.54029	0.5
64.88362	0.4
65.03962	0.6
67.05507	2.7
69.01453	0.4
69.03452	0.7
69.07070	1.1
69.27938	0.4
70.80016	0.5
70.80358	1.0
70.95869	4.1
72.93797	2.2
79.05502	2.9
81.03419	1.8
81.07061	3.6
83.05003	0.8
84.08127	0.4
85.06573	0.4
91.05488	12.2
93.07048	8.1
94.02287	0.4
95.04957	2.0
95.08627	2.9
97.06531	0.7
98.97624	1.0
102.94957	0.5
104.30302	0.5
105.07040	18.4
107.08601	100.0
109.06525	3.2
109.10155	5.7
111.98486	5.9
113.96434	0.7
115.05457	0.7
115.71652	0.4
117.07010	0.7
118.07806	0.7
119.04934	1.2
119.06084	1.6
119.08572	4.9
121.06508	3.6
121.10168	0.6
123.08025	0.7
123.11710	1.3
125.06036	0.7
129.99519	1.3
131.08585	1.5
132.95848	10.5
133.10141	55.2
135.11699	15.3
135.12733	0.8
137.06004	2.7
137.09630	3.5
141.07008	0.6
143.08574	1.3
146.07278	1.7
149.09775	0.4
150.96883	6.9
151.07559	0.6
151.11180	4.0
155.97412	9.4
161.09624	16.2
167.10654	0.8
173.98509	6.7
179.10687	27.0
197.00163	0.5
197.11743	56.0
198.18565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	2.3
55.93508	0.7
56.96567	0.9
64.99722	0.6
65.03935	2.3
67.05498	1.8
68.70084	0.6
69.03420	2.5
70.06573	0.8
70.95867	13.6
71.43280	1.4
72.93805	5.4
77.03927	2.1
79.05500	17.4
81.07053	15.9
84.04489	2.8
86.09721	1.9
88.96885	1.5
90.94849	0.8
91.05490	29.6
93.07034	0.7
94.04189	7.8
95.04974	6.0
98.97595	1.2
105.03406	6.9
105.04484	1.1
107.04967	6.4
107.08559	1.1
109.06527	59.7
109.10098	0.7
111.98485	13.6
113.96402	1.1
114.94813	1.4
119.04948	5.0
122.03687	3.3
123.04419	2.1
125.05962	1.0
129.99544	5.5
132.95845	30.8
133.02864	21.0
133.10117	1.1
135.04433	2.3
135.11699	1.8
137.05988	100.0
139.03905	0.9
147.04431	0.7
150.96902	18.6
151.03957	1.2
151.11229	0.7
153.05466	2.8
154.06287	3.6
155.06979	0.8
155.97427	23.4
161.09616	0.7
165.05492	47.9
167.07059	2.0
173.97005	1.0
173.98500	20.5
179.10696	2.5
197.06291	0.9
197.08113	15.0
197.11679	1.5
198.18579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.82301	0.7
51.95681	0.7
53.03954	1.2
55.01883	2.2
55.05513	4.0
56.27768	0.6
56.96575	1.1
57.03444	1.5
59.05001	4.0
65.03955	0.7
67.05508	11.0
68.96349	0.8
69.03431	5.8
69.07068	6.1
71.01345	0.6
71.04995	5.0
71.51988	1.3
79.05498	7.5
81.03416	3.0
81.07063	16.1
83.04979	7.6
83.08652	1.0
84.08160	2.9
85.02924	0.9
85.06542	1.5
85.55311	0.5
86.09715	0.9
86.89386	0.6
89.03925	13.6
89.06032	2.2
91.05477	8.3
93.07049	19.6
94.07391	0.6
95.04979	5.0
95.08614	27.0
97.06535	4.6
98.97609	1.6
99.08107	3.3
103.05486	2.6
105.07043	4.6
106.04214	1.1
107.04967	4.4
107.08600	25.7
109.06522	5.1
109.10163	11.0
109.98941	1.3
111.04465	1.5
111.08089	5.0
116.01472	0.7
117.03391	25.9
117.07012	2.9
117.84565	0.6
119.08589	12.3
121.02893	1.2
121.06522	6.8
121.10158	12.8
123.05595	0.6
123.08075	1.9
125.06005	1.3
125.09647	2.2
129.06987	0.7
129.10251	1.0
130.96321	3.0
130.97205	0.6
131.04939	1.8
131.08565	4.7
133.02823	0.6
133.10132	9.0
134.03668	3.4
135.04431	6.8
135.08063	15.4
135.11699	29.0
137.09627	100.0
138.09995	0.9
139.07553	2.9
144.09392	1.7
145.02861	49.3
147.04399	0.7
148.97360	2.6
149.04198	1.0
149.05981	12.8
149.09639	2.3
149.13272	11.4
151.11215	1.5
152.14368	1.2
152.85281	0.6
153.05446	1.8
153.09007	0.7
153.12781	2.6
153.97928	2.1
158.99664	1.2
159.11702	15.7
161.02803	0.7
162.03246	0.7
162.10316	0.6
163.03923	11.9
165.05615	0.6
167.07118	1.4
167.08565	1.3
171.98959	2.2
177.05478	66.4
177.08919	1.4
177.12761	32.6
177.16324	1.6
178.05806	1.1
180.09424	0.6
186.05551	0.7
195.02884	3.9
195.04852	1.2
195.06514	5.1
195.08160	1.7
195.10165	2.0
195.13821	21.6
195.15524	1.3
196.16982	1.3
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
53.03944	3.6
55.01873	3.3
55.05509	17.2
56.21811	0.8
57.03445	6.0
57.07080	2.1
65.03934	3.0
67.05506	73.4
69.03423	1.3
69.07074	21.7
69.38246	1.6
69.38650	6.1
71.01352	2.0
71.04994	6.0
73.02930	1.3
79.05492	42.0
81.03419	12.2
81.07059	100.0
83.04987	10.2
83.08617	13.1
85.06557	4.7
91.04906	1.5
91.05486	38.5
93.07047	59.9
95.04971	5.8
95.08612	30.4
97.06533	12.2
97.10201	1.4
98.21550	1.8
99.04449	1.2
99.08102	1.9
103.13053	1.1
105.07021	11.6
107.04929	2.2
107.08600	29.8
109.06525	3.0
109.10131	1.7
111.08082	6.2
113.05891	1.1
117.07010	12.4
119.08566	2.8
121.06528	6.2
121.10135	8.7
123.08017	1.6
123.11696	3.2
131.08582	13.5
133.02824	2.1
133.10136	27.0
133.11108	1.9
135.04456	2.7
135.08075	4.5
135.11699	28.8
139.11108	1.5
140.69388	1.1
145.02852	2.7
147.11674	1.1
149.09641	1.6
149.13263	22.7
151.11169	4.9
159.11708	17.0
163.03917	28.0
177.05447	2.6
177.12743	12.6
195.02837	1.7
195.12007	1.9
195.13826	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03944	8.5
55.01877	5.7
55.05513	25.0
55.19967	1.9
57.03441	16.1
57.07085	4.1
67.05513	31.7
69.03431	6.0
69.07072	50.1
70.57322	5.6
71.01345	2.4
71.04996	24.4
79.05501	70.3
81.03424	2.4
81.07065	63.0
82.42691	1.8
83.04977	5.0
83.08618	11.2
85.06552	3.8
89.06054	3.0
91.05488	44.3
93.07052	100.0
95.04970	13.4
95.08617	27.9
96.91954	1.9
97.06534	7.2
99.08100	2.8
103.05476	5.3
105.04540	4.3
105.07037	30.4
107.04984	13.1
107.08600	64.4
109.06532	21.3
109.10162	4.2
111.08039	3.4
115.05481	3.7
115.89406	1.8
117.03407	6.1
117.07013	25.6
118.51353	2.0
119.08588	24.0
121.06530	18.8
121.10172	19.4
122.07276	3.0
123.08098	17.7
129.07022	3.1
130.07780	5.5
131.05002	2.3
131.08577	37.1
133.02843	7.2
133.06520	16.0
133.07414	2.8
133.10136	5.6
135.04436	6.6
135.08084	11.9
135.11710	16.6
137.09624	2.6
137.59331	1.7
140.82062	2.1
144.09351	5.9
145.02870	8.7
149.05988	4.8
149.09627	4.6
149.13280	22.7
159.11699	23.8
163.03915	82.8
167.08514	2.3
177.05482	17.5
177.09071	2.3
177.12769	15.9
177.16464	2.4
195.02869	10.5
195.08125	4.3
195.11909	4.1
195.13881	6.1
195.15683	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03948	1.3
55.01873	1.4
55.05514	4.7
57.03443	1.0
57.07069	1.5
59.05009	3.7
59.34658	0.6
61.87468	0.5
65.03944	1.2
66.04702	0.6
67.05506	11.9
69.03431	7.4
69.07072	4.6
69.61780	1.0
69.62058	3.3
70.56803	0.5
71.04997	5.7
71.80138	0.5
72.16758	0.5
79.05503	7.3
79.80212	0.5
81.03420	1.6
81.07063	17.5
83.04992	7.0
83.08624	1.3
84.08138	1.9
85.02888	0.6
85.06538	1.3
89.03924	2.2
89.06036	0.9
91.05489	7.1
93.07047	19.3
95.04970	4.5
95.08612	29.8
97.06548	3.8
99.08080	3.4
101.06061	0.7
105.07035	3.9
107.04968	2.3
107.08596	24.4
109.06502	3.4
109.10164	12.6
109.98956	0.6
111.08091	4.5
113.09662	0.8
115.05464	0.6
117.03398	3.6
117.07011	3.0
119.08595	11.6
121.02857	0.6
121.06498	6.7
121.10159	14.9
121.11049	0.9
123.08106	1.6
125.09638	2.0
129.07036	1.0
130.96295	1.1
131.04968	1.6
131.08572	3.5
133.10146	8.2
135.04457	1.4
135.08055	14.5
135.11700	31.4
137.09624	100.0
138.09952	1.0
139.07544	2.4
144.09326	1.9
145.02859	7.3
148.97375	1.4
149.00554	0.6
149.05965	2.9
149.09549	0.7
149.13268	12.2
151.11240	1.3
152.06261	1.3
152.78682	0.6
153.05518	0.7
153.09117	1.2
153.12747	3.6
153.97929	1.2
159.11700	15.1
159.15230	0.6
163.03894	5.0
165.07016	1.2
167.07202	0.7
167.08568	1.3
171.98888	1.6
177.05489	10.7
177.12759	30.4
177.16292	1.4
180.55013	0.6
195.01091	2.0
195.02879	2.7
195.06494	1.7
195.08130	4.0
195.10045	1.0
195.11914	1.1
195.13824	21.5
195.15587	0.9
195.17421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.77869	0.6
53.02094	0.6
53.03950	3.2
55.01877	2.2
55.05515	12.9
57.03440	2.6
57.07075	1.6
59.04998	0.6
62.64795	0.5
65.03949	3.4
67.05508	100.0
68.05835	0.7
69.03436	3.2
69.07072	18.0
69.33157	1.1
69.33575	4.2
70.00967	0.6
70.26705	0.5
71.01344	0.9
71.04993	6.8
73.02917	0.8
76.86189	0.6
79.05497	37.4
80.05791	0.6
81.03418	3.3
81.07061	96.7
83.04986	8.8
83.08628	10.1
84.08133	0.7
85.02919	0.9
85.06544	6.5
87.04446	0.8
89.03909	3.0
89.06019	1.9
91.05485	22.4
93.07047	58.9
95.04977	6.3
95.08614	37.9
97.06534	19.8
97.10181	1.7
99.04474	1.8
99.08111	3.4
105.04562	0.8
105.07029	12.0
107.04955	2.6
107.08598	26.0
108.36237	0.6
109.06548	4.2
109.10184	3.3
111.08085	9.2
113.06030	1.5
113.09650	0.8
117.03380	5.4
117.07021	14.4
119.08573	3.2
121.06552	3.3
121.10149	10.8
123.08032	1.5
123.11687	0.9
125.05946	0.6
125.09641	0.8
127.07607	0.7
130.96355	0.9
131.04904	0.6
131.08572	16.4
133.10139	19.1
134.03587	0.9
135.04451	1.8
135.08101	4.6
135.11699	37.2
137.05934	0.8
137.09564	0.9
139.07507	0.9
139.11160	0.7
145.02846	10.7
149.05951	3.0
149.09601	2.2
149.13266	40.4
151.11194	6.7
152.06166	0.6
153.09160	0.9
159.11696	33.4
163.03917	4.8
165.06982	1.0
167.08507	2.8
167.14378	0.6
171.98962	0.7
177.05481	16.1
177.09142	0.7
177.12764	22.7
177.16298	1.1
195.02872	2.0
195.06480	0.8
195.08035	1.5
195.11998	1.4
195.13817	33.2
195.15408	1.2
195.17450	1.2
196.88283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	3.1
55.01871	3.1
55.05513	15.5
56.96561	4.3
57.03440	14.5
57.07074	2.6
65.03934	2.9
67.05508	74.4
68.96318	1.4
69.03419	2.3
69.07078	16.4
69.20338	2.4
69.20743	8.9
70.96596	1.1
71.01366	1.6
71.04993	6.1
73.02908	1.5
79.05497	42.2
81.03416	5.6
81.07062	100.0
81.23156	1.0
83.04981	11.4
83.08618	11.2
84.08170	1.2
84.48906	1.1
85.06537	6.7
89.03912	3.3
89.06018	5.4
91.05488	26.1
93.07050	67.9
95.04983	12.7
95.08613	39.0
97.06533	13.6
97.10175	2.1
98.21484	1.9
99.04468	1.2
99.08105	3.7
103.05463	1.2
105.04507	1.2
105.07025	10.0
107.04954	2.6
107.08608	28.7
109.06506	3.7
109.10172	4.3
109.98929	1.4
111.04439	1.3
111.08083	7.6
113.05969	2.1
113.09615	1.3
117.03378	9.0
117.07027	12.3
119.08564	4.4
121.06502	4.8
121.09427	1.5
121.10159	13.5
123.08073	32.0
123.11746	1.7
127.99993	1.1
130.96301	2.5
131.04964	1.7
131.08575	13.0
133.02876	4.6
133.06522	1.7
133.08603	1.3
133.10143	17.1
135.04445	5.3
135.08040	6.1
135.11703	31.0
139.07590	2.0
145.02869	13.4
148.97406	3.0
149.05977	6.0
149.09631	3.2
149.13266	26.9
151.11221	3.0
153.07018	1.1
159.11713	22.0
163.03917	51.1
165.07034	6.9
167.08546	3.6
171.98959	2.1
174.07986	2.7
177.05489	20.1
177.09103	1.5
177.12743	16.9
177.16444	1.6
179.08623	1.4
180.09357	5.4
185.58812	1.6
190.58664	1.1
195.02919	6.8
195.06546	2.0
195.08046	2.9
195.10182	2.5
195.11711	22.5
195.13809	22.5
195.15715	4.9
195.17409	1.3
196.17068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03942	2.8
53.73531	1.2
55.01865	1.5
55.05506	3.0
57.03438	2.4
65.03947	2.1
67.05508	21.5
69.07069	7.4
70.56707	1.4
70.57061	2.6
71.04999	2.2
75.84843	1.2
77.03896	1.0
79.05498	100.0
81.03422	1.6
81.07060	44.0
83.04989	6.8
83.08611	1.8
84.08135	1.2
85.06541	1.2
89.03948	1.4
89.06036	7.6
91.05480	7.7
93.03406	2.4
93.07043	31.1
95.04932	5.6
95.08623	5.9
97.06535	30.6
98.06902	1.1
98.20858	1.0
105.04488	1.1
105.07030	2.9
107.04963	7.8
107.08589	17.7
109.06530	2.0
109.10222	1.6
111.04453	13.7
111.08067	1.7
117.03388	2.4
117.07014	4.8
119.08569	3.2
121.06542	2.2
121.10162	8.8
125.05997	46.5
130.96277	1.7
131.04967	1.4
131.08577	2.3
133.02872	1.3
133.08620	2.0
133.10144	5.4
135.04449	2.9
135.08040	2.8
135.11690	9.4
137.09575	1.2
137.85011	0.9
139.03888	1.0
139.07565	2.8
145.02881	8.0
149.05959	2.9
149.13264	63.7
151.11224	0.9
153.09068	1.3
153.80452	1.1
153.97830	1.5
159.11702	8.8
163.03914	22.0
165.07022	1.0
171.99001	2.5
177.05490	9.8
177.12752	32.0
177.16263	1.1
180.09349	2.0
195.02887	4.1
195.06572	1.8
195.08228	1.3
195.10153	1.1
195.11726	4.4
195.13817	19.0
195.15645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.38535	0.7
51.71283	0.7
52.71549	0.6
53.03950	1.0
55.01870	1.5
55.05505	2.7
56.59922	0.6
57.03428	0.7
57.07051	1.1
57.16415	0.6
57.36457	0.6
59.05004	4.2
67.05514	8.0
69.03427	7.1
69.07064	4.1
69.53008	1.9
69.53417	2.6
71.04999	3.5
77.56183	0.7
79.05496	4.9
79.65130	0.6
81.03413	1.6
81.07055	12.8
83.04986	7.2
83.08645	0.9
84.08171	0.9
89.03925	1.4
89.06049	1.3
91.05477	5.9
93.07050	17.2
95.04956	3.7
95.08611	24.5
97.06541	5.1
99.08095	2.5
103.05456	0.7
105.07038	4.7
107.04958	2.7
107.08601	22.9
109.06517	3.8
109.10157	10.4
109.98906	0.6
111.08080	4.6
117.02651	0.7
117.03407	4.2
117.07005	2.0
119.08591	10.8
121.06510	6.3
121.10157	11.2
123.08056	0.9
125.09657	2.0
130.96306	1.9
131.04912	0.8
131.08557	2.4
133.10149	9.2
135.04408	2.3
135.08063	12.7
135.11694	26.7
137.09624	100.0
138.09944	0.8
139.07536	1.1
139.11147	0.6
141.12628	0.6
144.09384	2.2
145.02855	7.6
148.97435	0.8
149.05986	3.0
149.13254	12.7
153.05432	1.2
153.12714	3.3
153.97913	1.1
154.02829	0.6
159.11700	13.5
163.03932	3.0
170.27121	0.6
171.99022	1.3
177.05486	11.4
177.11226	1.2
177.12761	26.1
177.16342	0.8
180.09030	0.6
195.02917	1.5
195.06570	1.4
195.08179	1.3
195.10118	1.8
195.12004	1.6
195.13814	18.3
212.23720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03941	1.6
55.01866	1.8
55.05520	2.4
56.96567	0.7
57.03432	1.4
57.07076	0.7
63.27902	0.4
65.03937	4.6
67.05508	7.2
68.96347	0.4
68.99783	0.7
69.03411	0.9
69.07080	3.0
70.06585	0.6
71.01362	0.9
71.04986	1.9
71.52296	0.6
77.03927	0.6
78.04733	0.5
79.05500	9.7
81.03438	2.3
81.07066	12.1
82.44227	0.4
83.04994	2.2
83.08634	1.3
84.08144	0.9
85.06550	1.2
89.03932	2.3
89.06037	2.0
91.05493	7.6
93.03409	5.6
93.07050	8.8
95.04974	3.3
95.08617	5.9
97.06522	1.3
97.10207	0.5
99.08129	0.5
103.05473	22.4
105.04492	0.7
105.07037	10.0
107.04964	27.0
107.08601	5.4
109.02889	1.6
109.06531	1.2
109.10130	1.0
109.98951	0.7
111.04459	4.5
111.08093	1.3
115.05459	3.2
116.06217	0.7
117.03380	6.4
117.07008	2.8
119.08594	0.7
120.05745	1.3
121.02878	0.6
121.06518	3.5
121.10152	2.8
123.04440	0.5
123.11694	0.5
124.05188	2.7
125.05996	2.0
125.09637	1.0
130.96294	1.4
131.04932	5.7
131.08569	1.8
133.02838	0.6
133.06511	0.7
133.10170	3.0
134.03610	0.7
135.04436	2.8
135.08069	17.7
135.11697	4.0
137.09627	0.7
139.03911	24.0
139.07549	0.8
145.02858	10.0
145.06534	0.8
145.07617	1.4
147.04298	0.6
148.05205	0.8
148.97388	1.4
149.06001	4.4
149.09615	1.8
149.13290	2.9
152.06229	0.6
153.05458	1.2
153.09070	2.3
154.06259	100.0
155.06558	0.9
159.11719	1.9
163.03947	6.1
163.07556	37.9
165.05563	0.5
165.07031	0.6
167.07068	5.2
167.08525	0.9
171.98984	1.2
177.05492	13.7
177.12785	2.0
177.16415	1.1
180.07869	1.4
194.12697	0.5
195.02892	3.5
195.06505	1.9
195.08174	2.2
195.10187	11.2
195.11725	1.1
195.13829	3.0
195.15768	1.3
195.17422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31431	12.2
54.17925	10.5
55.25301	10.8
67.44911	10.4
70.34254	10.5
70.92602	26.7
70.92957	14.0
81.05270	9.9
85.02926	12.7
94.93017	100.0
95.10983	10.6
109.39041	10.0
124.41651	10.9
126.58832	10.4
149.01172	11.1
193.86913	10.5
194.94565	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	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91486	0.5
53.03965	1.8
55.01896	1.6
55.05506	4.4
56.96585	1.2
57.03453	1.7
57.07100	1.9
59.05011	0.5
65.03962	1.9
67.02995	0.5
67.05509	19.7
68.99794	41.6
69.03429	2.6
69.07063	6.0
71.01361	1.1
71.05015	2.2
71.38134	0.9
79.05495	13.3
81.03426	5.4
81.07060	21.6
83.04988	6.4
83.08624	3.5
84.08153	1.7
85.02926	1.1
85.06573	1.8
85.10187	16.9
86.09752	0.5
87.04439	0.5
89.03938	2.2
89.06060	1.8
91.05480	8.2
93.03407	0.5
93.07049	15.6
95.04972	11.2
95.05573	0.7
95.08608	9.6
97.06540	5.8
97.10171	0.5
99.04478	0.5
99.08090	1.2
103.05483	1.6
105.04542	0.5
105.07035	3.7
107.04955	3.3
107.08598	17.6
107.09312	1.0
109.02889	0.8
109.06508	2.6
109.10168	4.0
111.04446	2.6
111.08082	3.2
112.26743	0.5
115.05487	0.7
117.03389	3.8
117.07022	3.0
119.04812	0.5
119.08599	1.6
121.06509	3.3
121.10151	6.6
121.87196	0.5
123.08055	0.7
123.11703	0.6
125.09635	28.5
127.03930	0.6
130.96353	1.0
131.04968	1.2
131.08585	4.4
133.02881	0.7
133.10126	5.6
135.04414	1.6
135.08075	5.5
135.11697	9.0
137.05983	1.7
137.09593	1.1
139.11142	0.7
143.05421	1.4
145.02866	8.2
147.06609	0.5
148.97362	1.2
149.05977	3.7
149.09615	4.8
149.13257	5.5
151.05164	0.5
151.11182	1.1
152.06007	1.2
153.09108	100.0
153.97867	0.6
154.09425	0.7
155.07080	1.1
159.08072	0.9
159.11720	4.5
163.03893	5.8
165.07010	1.1
167.07193	0.9
167.08586	3.7
171.98955	1.7
177.05492	12.2
177.09137	2.1
177.12755	3.0
177.16391	1.7
180.09370	0.7
195.02907	4.7
195.06612	2.5
195.08168	1.9
195.10150	27.3
195.11681	1.9
195.13806	7.3
195.15720	1.9
195.17415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91486	0.5
53.03965	1.8
55.01896	1.6
55.05506	4.4
56.96585	1.2
57.03453	1.7
57.07100	1.9
59.05011	0.5
65.03962	1.9
67.02995	0.5
67.05509	19.7
68.99794	41.6
69.03429	2.6
69.07063	6.0
71.01361	1.1
71.05015	2.2
71.38134	0.9
79.05495	13.3
81.03426	5.4
81.07060	21.6
83.04988	6.4
83.08624	3.5
84.08153	1.7
85.02926	1.1
85.06573	1.8
85.10187	16.9
86.09752	0.5
87.04439	0.5
89.03938	2.2
89.06060	1.8
91.05480	8.2
93.03407	0.5
93.07049	15.6
95.04972	11.2
95.05573	0.7
95.08608	9.6
97.06540	5.8
97.10171	0.5
99.04478	0.5
99.08090	1.2
103.05483	1.6
105.04542	0.5
105.07035	3.7
107.04955	3.3
107.08598	17.6
107.09312	1.0
109.02889	0.8
109.06508	2.6
109.10168	4.0
111.04446	2.6
111.08082	3.2
112.26743	0.5
115.05487	0.7
117.03389	3.8
117.07022	3.0
119.04812	0.5
119.08599	1.6
121.06509	3.3
121.10151	6.6
121.87196	0.5
123.08055	0.7
123.11703	0.6
125.09635	28.5
127.03930	0.6
130.96353	1.0
131.04968	1.2
131.08585	4.4
133.02881	0.7
133.10126	5.6
135.04414	1.6
135.08075	5.5
135.11697	9.0
137.05983	1.7
137.09593	1.1
139.11142	0.7
143.05421	1.4
145.02866	8.2
147.06609	0.5
148.97362	1.2
149.05977	3.7
149.09615	4.8
149.13257	5.5
151.05164	0.5
151.11182	1.1
152.06007	1.2
153.09108	100.0
153.97867	0.6
154.09425	0.7
155.07080	1.1
159.08072	0.9
159.11720	4.5
163.03893	5.8
165.07010	1.1
167.07193	0.9
167.08586	3.7
171.98955	1.7
177.05492	12.2
177.09137	2.1
177.12755	3.0
177.16391	1.7
180.09370	0.7
195.02907	4.7
195.06612	2.5
195.08168	1.9
195.10150	27.3
195.11681	1.9
195.13806	7.3
195.15720	1.9
195.17415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02399	0.5
53.03949	4.1
55.01871	3.3
55.05512	14.7
55.43106	0.4
57.03439	3.4
57.07081	1.5
59.05004	1.1
65.03936	2.6
67.05509	26.1
69.03444	3.2
69.07069	21.0
70.62944	0.8
71.04996	4.7
78.70604	0.5
79.05497	21.7
81.03421	100.0
81.07058	26.3
83.04989	5.1
83.08626	20.5
85.06537	2.5
91.05482	20.6
91.79795	0.4
93.07044	17.8
95.04971	43.8
95.08609	20.6
96.05257	0.5
97.02910	2.0
97.06535	16.6
97.10181	2.4
98.97585	0.5
99.08091	1.2
99.94456	0.4
103.05450	2.1
105.07033	24.1
107.04959	8.4
107.08597	19.5
109.06519	29.9
109.10162	13.1
111.04448	1.5
111.08083	7.4
111.11740	3.6
111.12410	0.7
113.09651	0.5
115.05480	3.0
117.07011	1.7
118.04134	0.7
119.04917	0.8
119.06040	0.6
119.08585	27.4
121.06501	2.1
121.10143	10.4
121.11024	0.5
123.04446	0.8
123.08070	22.0
123.11699	5.4
125.09665	1.3
128.06218	1.2
129.07021	9.0
131.08575	7.1
133.02863	1.5
133.06500	9.7
133.10132	36.0
134.10443	0.5
135.08080	0.5
135.11694	29.8
137.05995	0.5
137.09619	11.4
142.07806	2.5
143.06102	0.6
145.10107	1.2
147.08057	3.7
147.11691	8.3
149.02312	0.6
149.09630	3.6
149.13318	2.3
151.11177	1.7
151.14815	0.7
157.10141	6.6
161.05983	7.6
165.12769	1.1
175.11232	5.8
175.14827	27.4
178.02614	0.6
186.56152	0.6
193.04985	4.6
193.06641	0.5
193.06941	0.5
193.08580	3.5
193.12254	10.6
193.15886	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.15836	1.4
53.03936	1.5
55.05512	7.6
59.04978	1.7
61.51068	1.4
67.05515	7.9
69.07067	25.6
69.37558	4.8
69.37980	6.3
71.04992	14.7
75.58788	1.5
79.05495	4.9
81.07056	23.0
83.08631	2.7
85.06554	8.9
91.05476	5.8
93.07050	27.8
95.04971	28.0
95.08608	19.8
97.06501	2.3
97.10179	12.0
99.08061	4.6
104.05192	1.6
105.07029	10.7
107.08601	28.9
109.06520	100.0
109.10157	19.3
111.08062	4.9
119.08580	21.5
121.10134	8.8
123.08061	5.7
123.11696	20.7
133.10136	21.9
135.11687	37.5
137.09621	14.1
147.11758	2.2
149.13295	10.1
151.11208	5.4
154.05550	1.4
172.07497	1.6
175.14827	38.7
193.05026	2.1
193.15889	76.1
195.09332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.5
53.03949	4.1
55.01871	3.3
55.05512	14.7
55.43106	0.4
57.03439	3.4
57.07081	1.5
59.05004	1.1
65.03936	2.6
67.05509	26.1
69.03444	3.2
69.07069	21.0
70.62944	0.8
71.04996	4.7
78.70604	0.5
79.05497	21.7
81.03421	100.0
81.07058	26.3
83.04989	5.1
83.08626	20.5
85.06537	2.5
91.05482	20.6
91.79795	0.4
93.07044	17.8
95.04971	43.8
95.08609	20.6
96.05257	0.5
97.02910	2.0
97.06535	16.6
97.10181	2.4
98.97585	0.5
99.08091	1.2
99.94456	0.4
103.05450	2.1
105.07033	24.1
107.04959	8.4
107.08597	19.5
109.06519	29.9
109.10162	13.1
111.04448	1.5
111.08083	7.4
111.11740	3.6
111.12410	0.7
113.09651	0.5
115.05480	3.0
117.07011	1.7
118.04134	0.7
119.04917	0.8
119.06040	0.6
119.08585	27.4
121.06501	2.1
121.10143	10.4
121.11024	0.5
123.04446	0.8
123.08070	22.0
123.11699	5.4
125.09665	1.3
128.06218	1.2
129.07021	9.0
131.08575	7.1
133.02863	1.5
133.06500	9.7
133.10132	36.0
134.10443	0.5
135.08080	0.5
135.11694	29.8
137.05995	0.5
137.09619	11.4
142.07806	2.5
143.06102	0.6
145.10107	1.2
147.08057	3.7
147.11691	8.3
149.02312	0.6
149.09630	3.6
149.13318	2.3
151.11177	1.7
151.14815	0.7
157.10141	6.6
161.05983	7.6
165.12769	1.1
175.11232	5.8
175.14827	27.4
178.02614	0.6
186.56152	0.6
193.04985	4.6
193.06641	0.5
193.06941	0.5
193.08580	3.5
193.12254	10.6
193.15886	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01876	1.8
55.05513	1.9
56.05041	1.1
56.96569	1.7
57.03438	0.6
57.07071	0.9
59.05017	0.5
61.01163	0.5
61.86776	0.4
65.03957	1.1
67.05506	2.3
69.03427	2.1
69.07069	1.5
70.06599	3.1
70.28745	0.8
70.29118	1.1
71.05011	0.8
72.08163	19.4
73.02904	0.8
77.03954	0.7
79.05495	3.3
81.03435	2.0
81.07066	3.0
83.01344	1.0
83.04991	1.6
83.08654	0.7
84.04499	1.2
84.08143	2.3
85.02917	1.0
85.06538	0.6
86.09718	1.6
87.04478	1.2
91.05487	4.8
93.07060	1.7
95.04982	4.3
95.08601	1.7
97.02924	0.9
97.06532	0.7
98.97572	0.7
99.06403	0.8
103.05466	1.7
105.03398	100.0
105.07039	8.5
106.03734	0.6
107.04957	0.8
107.08586	1.3
109.06527	2.3
109.10165	1.9
110.07173	0.5
111.04416	0.9
115.05464	2.3
116.07093	0.9
118.04202	0.6
118.06531	0.6
119.04940	1.8
119.08581	3.5
121.02913	0.5
122.06030	2.3
123.04434	1.1
123.08087	1.5
125.05975	0.7
129.05400	0.7
130.06534	0.9
131.04939	0.8
133.02846	3.5
133.06491	5.6
133.10124	3.2
134.06009	5.6
135.04443	0.6
135.08014	0.7
135.11705	1.7
136.07603	1.4
137.05974	2.6
137.09624	1.1
145.06889	1.0
146.97389	1.5
147.04420	5.5
147.06474	0.8
147.08072	1.8
147.11697	1.5
148.07552	1.1
149.02368	1.3
149.05956	0.9
150.96861	0.7
151.04005	0.7
151.07526	1.1
157.07619	1.5
161.05986	6.9
162.48413	0.5
165.05444	2.9
165.09160	0.8
175.03914	4.5
175.05463	0.5
175.06064	0.6
175.07343	0.7
175.08809	2.5
175.11166	1.3
175.14784	2.6
176.10718	61.0
178.02618	2.1
193.04973	19.5
193.06992	0.9
193.08505	5.7
193.10239	0.7
193.13435	15.6
193.15916	3.8
194.08177	0.8
194.11826	0.5
194.15422	0.6
208.99895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03950	7.9
55.01876	5.1
55.05511	13.7
57.03433	4.7
57.07057	1.7
65.03936	3.1
67.05510	42.7
69.03426	4.0
69.06732	0.9
69.07074	11.3
69.65891	3.7
71.04998	7.2
77.03922	1.3
79.05025	1.3
79.05494	42.3
81.03424	100.0
81.07059	35.6
83.04982	10.2
83.08625	13.6
85.02896	1.9
85.06541	3.1
91.05487	67.0
93.07050	40.7
93.07645	1.9
95.04974	45.8
95.07995	1.2
95.08610	21.9
97.02889	3.1
97.06539	7.8
97.10152	1.2
99.08078	1.8
103.05461	2.7
105.04560	1.2
105.07037	47.9
107.04964	10.3
107.08606	11.7
109.06533	9.3
109.10152	10.2
111.04423	3.0
111.08065	5.6
111.08762	1.3
113.06004	1.3
115.05465	5.9
116.06197	1.3
117.07007	2.3
118.04147	1.4
119.04930	1.9
119.08588	32.9
121.06522	3.5
121.10145	8.3
123.08098	4.5
123.11683	1.7
125.09685	0.8
127.07578	1.2
128.06206	1.5
129.07008	15.5
131.04880	1.1
131.08578	23.4
133.02832	2.7
133.06503	15.9
133.10139	77.5
135.08060	1.8
135.11716	5.0
137.05959	1.8
137.09624	3.5
142.07791	5.1
143.06018	0.8
145.10088	2.0
147.04399	1.2
147.08066	8.7
147.10501	1.8
147.11693	33.4
149.02303	0.9
149.06004	0.9
149.09622	20.3
149.13246	3.6
151.07520	1.4
151.11154	2.5
157.10147	21.3
161.06009	14.7
165.05472	0.9
165.06964	0.9
165.09146	0.9
165.12762	2.0
175.04033	0.9
175.07622	1.4
175.11197	35.9
175.14818	17.3
178.02599	1.6
193.03299	1.4
193.04993	13.6
193.08604	4.8
193.10452	1.3
193.12253	38.2
193.15897	21.4
193.17676	1.6
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
51.02382	1.3
53.03949	8.3
54.94119	0.5
55.01871	2.6
55.05513	8.7
57.03436	2.2
57.07056	0.7
59.04996	1.3
61.91307	0.6
65.03946	2.0
66.76897	0.7
67.05505	33.8
69.03433	1.7
69.07069	9.6
69.90034	2.9
71.04996	10.9
73.06562	1.8
77.03931	1.6
79.05493	63.2
81.03419	43.7
81.07056	26.6
83.04983	7.1
83.08627	8.1
85.02895	0.9
85.06537	4.4
87.04480	1.7
91.05482	88.1
93.07044	100.0
94.07380	0.6
95.04967	29.8
95.08613	6.7
97.02876	1.5
97.06531	3.3
97.10172	0.6
99.08080	1.0
103.05486	1.5
105.04530	4.0
105.07033	48.7
107.04964	4.7
107.08581	7.4
109.06503	8.5
109.10176	2.7
111.04419	1.3
111.08089	3.0
113.06008	2.9
115.05421	3.1
116.06245	1.1
117.07022	2.5
119.04916	1.3
119.08583	24.4
121.06545	1.6
121.10146	3.6
123.04413	1.2
123.08097	1.4
123.11694	1.6
127.07565	2.3
128.06224	1.2
129.07008	20.6
131.08571	26.4
133.02859	2.1
133.06529	6.5
133.10130	88.7
134.10455	0.9
135.08040	1.3
135.11702	2.3
137.05978	1.7
137.09602	2.0
141.06992	0.8
142.07771	4.3
145.10095	2.1
147.04382	0.9
147.08055	7.4
147.11688	29.3
149.02353	1.0
149.09566	3.8
151.07547	1.1
151.11212	1.5
157.10133	26.6
161.06026	4.6
161.09689	0.7
165.05571	1.2
165.12767	2.1
175.11188	21.9
175.14705	3.1
178.02621	1.9
178.07809	1.4
193.04984	9.9
193.08539	2.2
193.10146	2.6
193.12241	35.3
193.15826	4.0
194.08160	0.7
194.15401	1.0
209.98265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02376	0.7
53.03952	3.5
54.30796	0.6
55.01875	6.3
55.05512	5.1
56.96574	1.1
57.03443	4.1
59.05015	1.2
59.69867	0.5
62.77608	0.6
65.03943	1.6
66.04714	0.8
67.05507	14.2
69.02898	0.5
69.03436	3.3
69.07073	2.3
69.57750	1.5
69.58173	2.1
70.06579	0.8
71.04996	2.6
73.02892	0.6
79.05495	20.4
81.03420	54.9
81.07056	17.7
81.99157	0.6
83.04987	5.2
83.08623	6.4
85.02883	0.9
85.06561	1.1
87.58300	0.6
89.03934	0.7
91.05480	16.3
93.07050	7.3
95.04971	22.5
95.08608	4.7
97.02885	1.4
97.06544	1.9
98.21548	0.6
98.97610	1.0
99.04369	0.6
103.05471	13.8
104.06274	1.2
105.03413	0.9
105.07034	95.2
107.04964	5.9
107.08600	7.0
109.06522	21.7
109.10142	2.4
111.04440	1.5
111.08086	1.5
115.05461	20.3
117.07011	1.8
118.04160	9.3
119.04933	1.5
119.07707	0.8
119.08584	16.3
121.06519	2.8
121.10101	3.2
123.04422	0.7
123.08099	3.8
123.11702	1.1
129.07019	5.3
131.04953	3.0
131.08595	4.1
132.05760	0.8
133.02908	2.7
133.06496	80.4
133.10126	9.2
134.10507	0.7
135.08044	5.0
135.11682	1.3
136.07588	1.9
137.05980	3.2
137.09615	4.9
142.07770	2.0
143.04958	1.6
143.06035	7.4
144.03397	0.6
145.05533	0.6
145.06564	1.5
145.10104	1.1
146.07259	1.3
147.08038	3.7
147.11694	10.3
149.02382	0.9
149.05969	1.6
149.09616	2.4
151.07524	0.7
151.11201	7.3
157.10133	4.3
160.08842	6.0
161.05988	100.0
162.06285	0.6
165.05574	1.1
165.12746	2.0
175.03929	1.0
175.07594	0.8
175.11185	21.0
175.14775	1.9
178.02605	1.3
193.04973	8.7
193.08621	14.7
193.12247	26.8
193.15895	2.2
193.73886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02400	0.9
53.03946	5.0
55.01878	5.5
55.05515	12.5
57.03432	4.3
57.07078	1.1
59.05014	1.0
63.10609	0.7
65.03967	2.7
67.05510	33.0
69.03444	2.4
69.07074	8.2
69.53614	4.5
70.06613	0.9
71.04996	7.9
72.04527	5.4
75.19904	0.7
77.03936	1.6
78.02174	0.7
79.05499	30.9
81.03423	78.8
81.07059	27.1
81.07532	1.6
83.04995	7.8
83.08626	14.0
85.02942	2.4
85.06567	2.8
85.79069	0.8
87.04477	1.2
87.54332	0.7
88.04490	0.7
91.05489	58.5
93.07049	38.4
95.04977	42.6
95.08609	11.8
97.02901	3.5
97.03505	0.7
97.06551	5.1
97.10191	1.0
99.04470	1.5
99.08134	2.1
103.05477	4.6
105.04515	1.7
105.07039	75.5
107.04956	9.7
107.08602	11.3
109.06530	8.7
109.10175	6.3
111.04444	2.5
111.08071	3.4
113.06020	2.7
115.05457	5.9
117.07007	2.5
118.04191	2.2
119.04939	2.7
119.08588	34.2
121.06507	4.0
121.10153	4.9
123.04453	2.1
123.08068	3.8
123.11707	2.3
125.09723	1.1
128.06252	1.3
128.76604	0.8
128.98630	1.0
129.07013	16.1
131.04955	1.5
131.08578	18.5
133.02855	2.9
133.06516	18.5
133.10139	100.0
135.08032	1.5
135.11696	4.0
137.05984	2.4
137.09612	2.9
141.06961	0.8
142.07790	4.7
143.06096	1.5
145.10109	2.1
146.97435	1.0
147.04439	1.3
147.08061	8.4
147.11700	27.0
149.02336	1.9
149.09618	10.9
149.13255	2.8
151.07532	1.2
151.11185	2.0
157.10136	17.3
161.06001	21.5
165.05486	1.6
165.09137	1.0
165.12767	2.2
175.03922	0.9
175.11194	34.3
175.14775	6.2
178.02580	2.8
178.06100	0.7
178.07771	1.7
189.19174	0.7
193.03357	0.8
193.04962	17.1
193.08615	9.7
193.10300	1.4
193.12233	36.8
193.15822	7.5
194.15401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.01597	0.4
50.61178	0.2
51.02383	0.5
53.03950	1.8
55.01875	4.1
55.05264	0.4
55.05516	4.7
56.96564	0.3
57.03440	2.1
57.07074	0.4
59.05016	0.4
60.62552	0.2
61.32635	0.2
65.03938	2.0
66.04710	0.5
67.01888	0.2
67.05509	15.1
69.03438	2.2
69.07064	2.3
70.06595	0.3
71.01356	0.4
71.04994	1.3
71.51815	0.4
71.96067	0.2
73.02935	0.3
77.03943	0.8
79.04997	0.3
79.05499	16.4
81.03422	68.9
81.07061	8.7
82.03718	0.2
83.04986	3.3
83.08624	8.4
85.02883	0.2
85.06557	0.8
87.04494	0.3
89.03901	1.0
90.04710	0.4
91.05486	15.5
93.07047	7.9
94.04202	0.6
95.04976	27.4
95.08618	2.5
97.02880	1.5
97.06548	0.8
97.10197	1.0
98.97581	0.3
99.08108	1.1
103.05483	6.6
104.06284	0.4
105.03416	1.3
105.07037	49.1
106.04162	0.2
106.07354	0.3
107.04968	6.6
107.08603	4.0
109.02898	0.5
109.06531	3.0
109.10166	1.8
111.04433	1.2
111.08075	2.0
115.05465	10.4
116.06232	0.4
117.03413	0.5
117.07034	1.3
117.62258	0.2
118.04173	4.1
119.04955	0.9
119.08588	8.8
121.02917	0.3
121.06516	1.7
121.10150	2.8
122.03654	4.0
123.04440	0.6
123.08066	1.0
123.11687	0.4
125.06024	0.3
128.06252	0.6
129.07013	5.5
131.04955	1.8
131.08578	5.0
132.05746	0.7
133.02861	33.0
133.06500	39.7
133.10133	8.1
134.03557	0.3
134.06851	0.3
135.04494	0.3
135.08076	0.8
135.11702	4.0
137.05988	9.4
137.09601	1.6
139.03859	0.3
142.07787	1.8
143.04950	0.6
143.06033	3.2
145.06508	0.3
145.10141	0.8
147.04408	0.6
147.08063	3.1
147.11693	5.8
149.02347	2.4
149.03484	0.6
149.05986	2.6
149.09625	3.4
150.03136	2.7
151.03960	0.4
151.07549	0.4
151.11191	0.8
157.10141	4.6
160.05220	0.3
161.05989	47.8
162.06436	0.6
165.05486	3.8
165.09180	0.4
165.12793	0.6
175.07594	0.7
175.11191	5.5
175.14850	2.3
178.02621	20.5
179.03093	0.3
193.04974	100.0
193.08592	8.6
193.12233	10.8
193.15793	1.7
194.05325	1.0
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
53.03941	1.9
55.01863	2.1
55.05507	8.2
57.03440	1.6
57.07064	5.9
59.04984	2.5
63.12741	1.1
65.03916	2.5
65.10368	1.2
67.05508	13.4
69.03432	14.1
69.07073	15.8
69.88194	7.3
71.04981	5.7
73.06541	1.7
79.05495	14.6
81.03412	1.7
81.07066	17.8
83.04977	7.3
83.08620	4.5
85.06561	8.4
91.05487	33.0
93.07055	21.8
95.04967	6.5
95.08619	16.4
97.06534	5.0
100.02443	1.5
101.38397	1.4
103.05466	5.7
104.72565	1.4
105.07034	42.7
107.04935	4.2
107.07880	2.6
107.08604	41.4
107.96240	1.3
109.06522	13.0
109.10165	11.0
111.08059	2.4
114.70227	1.5
115.05446	6.3
116.06226	4.1
117.07021	22.4
118.49843	1.4
119.04967	1.5
119.06035	1.7
119.08589	34.7
120.08120	7.1
121.06538	6.9
121.10154	35.1
123.04418	1.7
123.08087	11.1
123.11708	3.6
128.06189	2.7
129.07005	12.9
130.04146	1.6
130.07784	5.0
131.04945	6.9
131.08574	73.4
132.39200	1.4
133.06514	1.6
133.10136	41.7
135.07127	2.1
135.08069	26.6
135.11673	6.4
143.08578	21.7
144.09325	10.9
145.06569	7.0
145.07538	2.2
145.10135	48.1
146.06004	2.5
147.07956	2.2
147.10542	2.0
147.11694	27.7
148.08943	1.7
149.05980	5.8
149.09622	12.8
149.13266	17.3
157.02072	1.5
158.10927	28.4
161.09662	2.5
163.07523	2.1
163.11217	4.9
163.14796	3.4
168.43842	1.5
171.11633	2.3
173.05873	3.4
173.07217	2.6
173.09605	4.1
173.13272	100.0
176.04665	8.3
191.03410	3.6
191.05255	2.2
191.07016	64.1
191.10655	15.8
191.14313	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02394	0.5
53.03955	0.5
55.01878	0.4
55.05507	0.7
56.43372	0.2
57.03445	0.9
57.07064	0.4
59.05001	0.5
60.35421	0.3
67.05521	0.8
69.03440	0.7
69.07070	0.4
70.10332	1.1
71.05013	0.4
74.50638	0.2
77.03938	0.4
78.04734	0.2
79.05501	1.6
81.03407	1.2
81.07063	3.7
83.04982	1.7
83.08643	0.4
85.02930	0.3
89.03936	0.7
91.05492	2.4
93.07043	1.2
94.04205	0.4
95.04986	1.3
95.08619	0.9
98.20826	0.3
98.97585	0.3
103.05480	1.1
105.03417	1.2
105.07035	8.0
106.04205	0.4
107.04960	0.4
107.08618	1.4
109.06526	5.7
109.10183	0.9
109.34444	0.2
109.41330	0.3
115.05468	1.6
117.03427	0.5
117.07047	0.3
118.04184	0.5
119.08591	3.4
121.06500	0.5
121.10110	0.3
122.03658	3.6
122.04486	0.4
123.08078	1.1
123.11692	0.3
131.04898	0.3
133.02859	35.0
133.06505	5.2
133.10124	1.5
134.03653	0.3
135.08072	1.6
137.05983	10.0
137.09648	1.2
143.06068	0.5
145.06523	0.4
147.04420	0.3
147.08070	1.0
147.11685	2.4
149.02295	0.4
149.05986	2.6
149.97075	0.3
150.03127	2.9
150.41502	0.3
151.11195	2.2
157.10133	0.4
160.08823	1.1
161.02422	0.4
161.05983	7.8
165.05510	4.0
165.12814	0.4
170.03084	0.4
175.11186	5.5
175.14850	0.6
178.02618	21.7
193.04971	100.0
193.12225	6.6
194.05324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.02382	0.7
51.02894	0.3
51.77112	0.3
52.31848	0.3
53.03945	2.2
53.54538	0.3
55.01885	2.7
55.05516	3.7
56.88909	0.3
56.96558	0.3
57.03438	1.3
57.07079	0.4
64.36497	0.3
65.03944	1.9
67.05508	10.8
69.03436	1.6
69.07088	1.4
69.33043	0.7
69.33459	1.7
69.97968	0.3
71.04992	1.0
77.03934	0.7
79.05501	10.8
81.03423	48.6
81.07063	6.0
82.03780	0.3
82.58389	0.3
83.04989	2.4
83.08627	6.4
89.03940	0.7
91.05489	11.0
91.59931	0.3
93.07047	5.2
94.04198	0.6
95.04974	19.6
95.08607	1.9
96.58991	0.3
97.02894	0.9
97.06525	0.6
97.10182	0.4
99.08083	0.6
103.05467	3.6
105.03401	1.2
105.04556	0.5
105.07037	28.5
107.04958	4.5
107.08599	2.7
109.02908	0.3
109.06520	3.0
109.10169	1.2
111.04457	1.0
111.08095	1.9
112.84306	0.3
115.05470	5.5
116.06254	0.4
117.03406	0.6
117.07039	1.0
118.04162	2.1
119.04955	0.8
119.08596	5.7
121.06513	1.0
121.10123	1.7
122.03655	4.0
123.04410	0.7
123.08072	0.6
123.11735	0.6
125.63512	0.3
125.95960	0.3
129.07013	4.0
131.04955	0.9
131.08583	3.8
133.02863	35.0
133.06500	22.0
133.07272	0.5
133.10139	6.0
135.08061	1.1
135.11691	1.8
137.05983	9.9
137.09615	1.0
142.07782	1.6
143.06055	1.9
145.10074	0.4
147.08044	2.1
147.11697	4.4
149.02399	2.3
149.06012	2.9
149.09599	2.1
150.03123	3.0
151.11230	0.6
157.10129	3.3
161.05995	26.0
165.05490	3.7
165.09102	0.3
165.12746	0.6
175.07585	0.4
175.11208	5.3
175.14835	1.3
178.02620	19.9
193.04976	100.0
193.08553	5.2
193.12215	7.7
193.15881	1.1
194.05273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02362	0.9
53.03931	1.7
55.01851	1.7
55.05516	6.1
56.96558	2.2
57.03428	1.2
57.07063	2.9
59.04994	1.9
65.03939	1.1
65.94313	0.7
67.05508	7.9
67.54912	0.8
69.03436	21.9
69.07070	22.1
70.02799	1.9
70.03190	1.9
70.98820	0.8
71.04982	2.8
79.05499	12.4
81.07060	12.5
83.04994	6.9
83.08616	3.4
85.06544	2.2
86.09702	1.9
89.03886	0.9
90.94822	0.9
91.05484	25.0
93.07047	14.8
95.04964	2.8
95.08619	12.7
97.06532	4.5
98.20821	1.0
98.97591	1.2
103.05463	3.1
105.07040	31.1
107.04949	4.0
107.08602	37.8
109.06541	7.2
109.10163	4.5
110.07127	1.7
111.08061	4.3
115.05450	3.6
116.06232	3.4
117.03405	1.0
117.07032	11.1
119.05299	1.0
119.08592	25.2
121.06520	6.1
121.10151	24.2
121.11037	1.2
123.08086	5.9
123.11676	1.3
128.06226	1.5
129.07001	8.9
130.07780	3.6
131.04926	2.0
131.06960	2.0
131.08583	44.1
133.10149	22.0
135.04401	3.6
135.08055	24.8
135.11691	5.9
136.06166	2.0
143.08575	14.9
144.09329	4.7
145.06496	3.7
145.07584	1.8
145.10129	24.5
146.05997	2.1
147.07993	1.2
147.11702	12.3
149.05960	1.3
149.09645	8.6
149.13271	10.4
155.04871	1.0
156.09258	1.6
157.10040	1.0
158.10924	18.6
161.09601	2.5
161.13264	3.7
163.03883	5.3
163.07434	1.1
163.11183	2.9
163.14838	5.1
171.11653	1.2
171.72961	0.9
173.05954	4.9
173.09599	2.6
173.13272	44.8
176.12029	1.1
191.03410	2.7
191.06987	11.4
191.10617	4.8
191.14316	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
54.74796	1.2
55.01863	4.3
55.05272	1.1
55.05504	8.4
57.03432	2.1
57.07064	3.4
59.04983	3.1
60.21538	1.1
63.02509	1.1
65.03931	1.3
66.36112	1.2
67.05509	9.0
69.03436	8.6
69.07068	19.4
69.52064	5.8
69.52478	1.7
71.04986	4.4
72.08138	1.3
77.03917	1.2
79.05069	1.7
79.05493	15.6
81.03387	1.5
81.07061	17.7
83.04977	4.6
83.08621	5.4
85.06527	4.9
91.05479	24.6
92.94991	1.0
93.07042	24.3
95.04970	6.5
95.08613	16.2
97.06516	5.3
103.05471	4.4
105.07034	40.5
106.05765	1.2
107.04954	4.2
107.08600	60.8
109.06528	11.2
109.10150	10.0
111.08085	2.4
115.05396	2.6
117.07017	8.4
118.06593	2.2
119.08594	25.3
120.08102	2.8
121.06496	12.1
121.10147	25.3
121.10898	0.9
123.07176	1.0
123.08078	7.5
123.11692	4.5
129.07005	3.8
130.07794	1.6
131.04924	4.1
131.08572	37.9
133.10136	61.6
135.08067	21.3
135.09996	1.7
135.11711	9.7
143.08542	7.4
144.09328	2.6
145.06488	1.9
145.07590	2.5
145.10143	18.2
146.06000	2.1
147.08072	4.5
147.11691	39.8
148.05186	1.9
149.05936	1.4
149.09610	8.6
149.13261	17.2
158.10921	9.7
161.09618	1.3
161.13332	1.6
163.07568	5.0
163.11185	5.6
163.14821	13.9
173.07173	2.1
173.09645	3.1
173.13284	42.2
176.04735	2.7
176.12013	2.0
191.03433	3.0
191.06903	12.9
191.08435	3.3
191.10663	12.2
191.14323	100.0
191.17990	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03926	1.3
55.01889	1.6
55.05485	2.2
57.07074	4.0
67.05509	20.0
69.03417	6.5
69.07047	6.5
71.04984	12.9
71.53049	1.9
76.42286	1.6
79.05505	16.6
81.07069	16.9
83.04974	4.8
83.08615	3.9
85.06538	5.0
91.05486	24.9
93.07050	29.7
95.04981	9.4
95.08599	12.5
97.06526	6.0
99.08080	1.7
100.86901	1.8
103.05458	3.7
105.07037	33.7
107.04948	5.6
107.08603	40.4
108.90482	1.7
109.06528	25.1
109.10167	34.4
111.08083	2.6
115.05462	1.7
116.06227	2.6
117.07019	12.6
119.08571	17.8
121.06498	5.2
121.10152	27.6
123.08083	12.4
123.11716	2.0
129.07005	7.5
130.07782	1.8
131.04974	2.8
131.08577	58.2
133.10141	26.1
135.08075	39.7
135.11694	6.0
143.08531	9.3
144.09351	5.1
145.06502	3.2
145.07603	2.6
145.10149	36.5
146.05975	3.2
147.10645	2.5
147.11705	19.7
148.08849	2.4
149.09622	12.1
149.13268	12.2
158.10912	16.8
163.11214	3.9
163.14830	4.5
173.07233	1.7
173.09599	5.1
173.13281	87.6
176.12090	1.8
191.07047	6.1
191.09029	2.4
191.10661	15.7
191.14323	100.0
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01866	1.9
55.05518	11.1
57.03450	2.0
57.07077	2.6
59.05003	1.7
59.64911	1.6
60.04531	1.8
61.01170	1.9
67.05503	11.4
69.03443	16.9
69.07079	16.1
69.32033	11.3
69.32439	2.6
71.04995	9.6
72.04533	8.6
77.03917	1.6
78.03792	7.5
78.04757	2.0
79.05511	14.1
81.07072	14.0
83.04968	4.7
83.08626	3.1
85.06561	8.8
91.05482	30.4
93.07050	19.9
95.04968	7.6
95.08618	15.9
96.25153	1.9
97.06524	7.5
98.20709	3.1
102.03748	7.2
103.02177	19.6
103.05466	5.9
105.07040	78.6
107.04967	4.8
107.08607	35.0
109.06512	22.0
109.10153	19.9
111.08079	3.7
114.03728	3.7
114.05541	25.7
115.05448	2.4
117.07030	15.1
118.07806	2.1
119.08596	74.4
120.04808	18.3
121.06509	6.7
121.10151	21.4
123.08087	12.9
123.11701	4.7
129.06125	1.9
129.07027	5.7
129.80122	1.9
130.07809	3.5
131.04935	3.7
131.06448	1.7
131.08583	48.4
132.04788	5.0
133.10136	100.0
135.08069	32.2
135.11711	4.0
142.64153	2.1
143.08554	7.7
144.09349	2.8
145.06528	2.0
145.10127	24.1
146.06003	2.3
147.11691	68.3
149.06007	4.3
149.07468	12.6
149.09631	32.3
149.13286	14.6
150.10442	2.5
158.10918	18.2
163.11165	4.8
163.14818	3.9
171.11649	3.1
173.13274	63.5
174.05841	3.2
176.04805	3.9
191.07045	29.0
191.08534	11.2
191.10722	5.6
191.14325	81.6
200.01477	1.7
203.47670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01871	3.5
55.05522	2.3
57.03418	0.8
57.07085	1.2
59.04983	1.9
67.05506	3.1
69.03433	2.5
69.07071	12.6
69.19637	4.8
79.05494	3.1
81.07065	4.3
83.04966	2.3
83.08608	1.1
91.05476	6.0
93.07044	13.8
95.04933	0.9
95.08617	5.4
97.06529	2.1
97.10166	0.9
103.05466	2.2
105.07040	5.8
107.04947	1.6
107.08598	12.8
109.06516	2.0
109.10159	4.3
115.05438	0.9
117.07029	3.1
118.04135	0.9
119.04922	0.5
119.08586	4.4
121.06512	14.3
121.10155	11.9
123.08079	2.3
123.11707	1.3
125.00770	0.5
129.06987	1.0
130.07802	0.5
131.04932	2.9
131.08578	6.9
133.10146	8.2
135.07115	0.8
135.08060	9.1
135.11705	6.5
137.09613	0.9
143.08566	0.8
144.09380	0.6
145.06500	1.1
145.07591	0.6
145.10127	5.4
146.06021	1.0
147.11697	18.6
148.05136	1.0
149.09633	4.2
149.13261	8.2
153.93980	0.6
158.10881	1.7
161.09645	3.8
163.07617	2.6
163.11206	2.9
163.14847	1.4
173.05887	0.5
173.09653	1.3
173.13281	10.6
176.04565	0.8
176.11928	1.5
191.03452	3.4
191.07036	5.5
191.10773	4.6
191.14313	100.0
192.14616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.33494	0.7
53.03931	1.1
53.15449	0.7
55.01873	1.6
55.05516	4.8
55.73940	1.0
57.03428	1.2
57.07065	1.7
65.03940	1.9
67.05510	24.2
68.06070	0.7
69.03428	4.8
69.06728	0.9
69.07071	8.5
69.22327	1.7
69.22730	6.4
71.04997	38.8
73.30625	0.9
79.05077	1.3
79.05497	14.2
81.07063	13.7
83.04968	2.3
83.08614	3.2
85.06548	13.9
88.87840	0.9
91.05483	17.7
93.07052	17.9
95.04973	8.8
95.08614	13.8
97.06532	11.7
99.08081	2.0
103.05473	2.1
105.07038	39.3
107.04932	2.2
107.08601	57.6
109.06522	31.8
109.10165	71.9
111.08089	3.3
112.75009	0.8
115.05444	2.3
116.06242	1.5
117.07011	7.5
119.08598	15.6
120.05720	0.7
121.06503	8.8
121.10153	59.5
123.08076	34.1
123.11668	1.4
125.09668	0.9
129.07024	3.0
130.07779	1.7
131.04926	1.7
131.08572	41.9
133.06583	1.4
133.10136	43.6
134.38969	0.9
135.08063	43.5
135.11728	3.0
137.09616	1.8
143.08580	3.4
144.09351	1.0
145.06549	1.1
145.07611	1.2
145.10141	13.4
146.05995	1.2
147.08047	2.1
147.11697	22.4
148.08879	1.0
149.06049	1.0
149.09613	10.4
149.13266	13.6
150.10426	1.1
158.10944	7.8
161.09634	1.0
163.07527	1.1
163.11177	1.8
163.14818	2.4
173.09534	1.2
173.13266	45.1
176.04649	0.8
176.11955	0.9
191.03403	10.8
191.07050	3.4
191.10681	3.2
191.14320	100.0
191.17961	3.3
192.14745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.03657	0.8
53.03939	1.0
55.01881	3.4
55.02107	0.8
55.05508	3.7
57.07067	1.3
61.66816	0.8
67.05511	6.7
69.03441	3.3
69.07069	15.1
71.04987	5.6
71.51702	0.8
71.52094	1.2
72.08138	1.1
79.05487	7.0
79.91592	0.6
81.07069	6.9
83.04980	2.7
83.08615	2.2
85.06543	2.4
91.05478	10.7
93.07049	17.6
95.04971	2.5
95.08611	7.2
97.06535	4.0
97.10173	1.1
103.05467	3.8
105.07037	13.0
107.04945	2.7
107.08599	19.2
109.06517	5.5
109.10157	8.3
115.05431	1.5
117.07011	4.9
119.08593	8.0
121.06502	15.6
121.09336	1.2
121.10159	17.7
123.08080	7.3
123.11708	2.2
129.06992	1.7
130.07782	1.1
131.04948	2.1
131.08571	13.5
133.06508	1.8
133.09129	1.0
133.10132	17.1
135.08058	11.8
135.11699	5.1
135.86568	0.8
137.09639	1.1
143.08563	1.9
145.06456	1.0
145.07567	0.7
145.10135	8.2
146.05960	0.9
147.08057	1.1
147.11699	24.7
149.05940	1.1
149.09630	4.9
149.13284	7.4
151.04085	0.7
155.08574	1.0
158.10927	2.9
159.08005	1.0
161.09636	3.6
163.07529	2.2
163.11165	2.6
163.14825	2.0
171.11710	0.7
173.09630	4.7
173.13290	17.0
176.11981	1.4
187.13666	0.7
191.03371	3.0
191.07045	4.9
191.10721	9.4
191.14317	100.0
191.17969	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.2
56.96555	5.0
57.03422	2.4
57.07048	2.4
62.99070	2.4
65.63097	2.0
67.05488	8.1
69.03432	22.7
69.07073	24.8
70.64114	5.6
71.04972	2.8
79.05503	14.8
81.07072	16.1
83.04972	6.4
86.09705	2.9
87.74731	1.9
88.23557	2.0
91.04980	2.8
91.05494	31.1
93.07048	12.4
95.04971	4.6
95.08620	14.4
97.06528	6.5
103.05458	3.2
105.07038	72.7
107.08603	35.5
108.30093	2.4
109.06527	16.2
109.10144	8.7
111.08066	6.5
117.07051	12.1
119.05267	5.8
119.08591	100.0
121.06493	6.9
121.10152	26.4
123.08091	10.6
129.07028	3.2
131.04890	2.7
131.08578	32.8
132.09335	2.5
133.10147	35.7
135.08063	27.0
135.11694	7.4
136.06177	6.9
140.07057	3.1
143.08638	3.9
144.09349	2.5
145.06566	2.5
145.10097	21.8
147.11688	52.1
149.09628	46.5
149.13271	6.6
150.10338	3.1
158.10933	6.2
161.09636	2.8
163.11237	2.2
163.14838	5.4
172.79918	2.3
173.13274	40.3
176.11978	2.7
188.55037	2.9
191.07037	9.1
191.10660	11.1
191.14319	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	1.7
55.01862	2.1
55.05510	6.0
56.96551	1.0
57.03423	1.0
57.07065	1.4
59.04997	5.5
65.03944	0.7
65.14062	0.7
67.05494	6.1
69.03426	8.4
69.06737	1.0
69.07072	12.2
70.66388	1.2
70.66727	1.6
71.04974	2.7
71.15157	0.7
79.05496	20.1
81.07056	12.0
83.04979	4.6
83.08601	2.7
85.06537	3.9
85.79926	0.7
91.05477	19.6
93.07043	21.8
95.04956	3.3
95.08603	9.4
97.06532	4.7
103.05468	2.9
105.07034	34.4
107.04942	3.2
107.08596	83.7
109.06519	4.4
109.10152	4.7
111.08051	1.9
115.05455	2.9
116.06215	1.5
117.07022	6.3
119.06062	0.8
119.08588	16.8
120.08091	5.2
121.06516	13.2
121.10140	18.4
123.08091	5.2
123.11720	2.0
129.06995	2.5
131.04929	2.9
131.08569	28.9
133.06487	1.2
133.10133	45.4
135.08058	25.4
135.11668	5.2
137.09570	1.0
143.08601	4.1
144.09337	1.9
145.06496	1.1
145.10120	14.5
146.06006	0.8
146.08600	0.7
147.08040	2.8
147.10513	1.5
147.11693	30.2
148.05183	1.3
148.08829	1.1
149.09645	7.4
149.13269	17.2
150.00516	0.7
155.08620	0.9
158.10886	7.6
161.09557	1.7
161.13181	0.9
162.10452	0.9
163.07529	2.4
163.11153	5.1
163.14828	10.3
173.07169	1.1
173.09616	1.6
173.13264	36.7
176.04794	1.0
176.12025	1.6
184.93510	0.7
191.03375	1.6
191.06966	5.8
191.10695	6.5
191.14310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
55.05507	1.9
67.05502	1.4
69.03424	5.4
69.07062	0.9
71.04964	0.9
71.10194	1.4
79.05479	1.9
81.07060	2.2
81.43225	0.7
83.04973	1.1
85.02919	1.1
91.05468	5.2
93.07060	1.6
95.08640	1.4
102.82130	0.7
103.05516	0.9
105.07041	14.2
107.08595	2.6
109.06494	1.4
115.05438	1.9
117.07014	2.9
119.04955	0.7
119.08584	21.9
121.10161	1.3
128.06210	2.8
129.06981	1.7
130.07784	2.9
131.08607	5.8
133.06467	3.1
133.10130	6.7
135.08084	0.9
141.06972	6.7
142.07771	1.2
143.08591	6.1
144.09329	1.4
144.57951	0.7
145.06482	1.3
145.10127	18.0
146.10921	1.4
147.08078	6.9
147.11703	16.9
155.08571	3.0
156.09358	33.9
159.08072	6.7
159.11713	10.0
160.08833	2.0
160.64395	0.7
161.05942	1.6
161.09579	2.2
161.13274	7.4
164.72012	0.7
171.11703	48.2
172.12044	1.0
174.10416	14.6
189.09262	3.8
189.12755	100.0
190.13022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.72173	0.2
69.59715	1.5
72.42751	0.2
88.14452	0.2
89.03943	0.8
116.04989	2.9
144.04456	3.9
162.05513	100.0
163.05927	0.8
190.05006	47.7
191.05428	0.4
201.08337	0.3
206.00894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
53.23674	2.0
53.71257	2.0
55.01866	2.8
55.05513	28.1
56.96571	39.5
57.03426	7.6
58.06599	2.8
61.02910	6.5
63.97462	1.9
65.77978	1.9
66.56870	2.1
68.08075	1.7
68.99784	3.9
69.03425	5.0
70.06572	5.7
70.58524	5.4
70.98122	12.4
71.01366	4.1
71.64130	1.8
73.02905	8.5
73.59517	2.0
75.01048	2.8
75.04462	2.7
79.05491	7.5
81.03415	3.1
82.06620	2.1
84.08130	4.6
84.96018	2.2
85.02905	10.4
85.06565	2.9
85.08456	2.7
87.04475	2.5
88.99142	4.2
89.00764	3.3
91.05492	11.8
94.06514	3.2
97.02892	7.0
97.68975	2.0
98.01299	3.6
98.77708	2.1
98.97592	40.7
99.97953	3.1
99.99982	2.2
100.99136	6.9
101.00838	3.7
103.03893	1.9
105.07023	4.8
106.00988	2.6
106.06548	6.8
107.04939	7.8
107.07306	4.6
107.52035	2.1
108.05786	2.2
109.00517	3.7
109.02863	3.4
110.01279	5.4
110.97591	10.3
111.00261	2.4
112.99122	5.0
116.98621	13.0
117.01850	3.1
117.07021	7.1
118.01030	21.2
118.06525	5.9
119.01839	6.4
119.04932	7.0
119.07321	3.4
120.08083	2.8
124.01028	3.9
125.01790	3.4
127.00695	2.5
127.01558	32.4
127.02409	4.1
127.03906	2.4
127.86050	2.0
128.02327	6.4
128.98622	7.8
129.01839	7.4
129.51816	3.1
130.07828	2.2
131.00186	11.5
131.01808	4.4
131.04945	31.8
133.01541	4.7
133.06488	4.0
134.06030	52.1
134.99728	2.6
135.06816	88.2
136.01073	2.3
136.07588	12.3
137.02774	2.9
138.52304	4.0
139.01512	6.2
139.02426	3.4
140.98627	4.7
144.13849	5.0
145.01482	3.5
145.03456	2.7
145.06480	13.8
145.10147	16.7
146.06035	3.5
146.99643	4.7
147.01331	3.3
147.06877	4.0
147.07957	2.9
148.07559	19.9
149.01237	10.6
150.01833	3.3
152.02269	3.0
155.00229	3.7
155.08531	4.1
156.01779	4.6
158.07239	7.0
158.99706	7.3
161.09567	5.4
167.02049	2.8
172.97469	3.2
173.09650	18.4
174.99185	2.4
177.00697	6.3
185.02928	9.8
187.50830	2.4
190.12276	100.0
190.98666	4.1
208.99684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05524	2.9
55.66343	0.4
59.04995	0.9
65.03902	0.4
67.05495	1.6
69.03414	0.9
69.07076	2.7
69.28449	4.0
72.08152	0.4
79.05504	3.1
80.71085	0.5
81.07061	3.6
83.04974	0.8
83.08606	0.6
87.04468	0.5
91.05484	8.5
93.07052	2.7
95.04959	2.0
95.08591	1.7
95.56702	0.5
98.20789	0.8
103.05444	1.2
105.07032	16.1
107.04952	1.0
107.08587	3.6
109.06513	5.6
111.04435	0.5
112.71571	0.4
115.05446	1.9
116.06201	0.8
117.07034	3.2
119.08582	27.9
121.06496	2.6
121.10130	1.8
123.08148	0.5
128.06207	4.2
129.07022	4.8
130.07809	2.2
130.08655	0.5
131.04913	1.4
131.08569	12.0
133.06482	2.1
133.10127	9.3
135.08044	1.1
141.06973	2.9
142.07771	0.9
143.04852	0.9
143.08566	7.0
144.05701	0.5
145.06487	2.0
145.09059	0.7
145.10130	9.6
146.07256	1.4
146.10924	5.4
147.08041	10.0
147.11697	34.3
155.06015	0.8
156.08086	1.0
156.09351	15.1
157.06496	0.8
157.08519	0.5
158.07260	3.3
159.04431	2.8
159.08058	14.5
159.11652	1.2
160.05208	1.8
160.08817	2.2
161.05977	2.7
161.09595	3.4
161.13271	5.8
166.09137	0.5
171.08049	0.7
171.11697	15.9
173.09621	2.9
174.06781	10.2
174.10400	18.0
189.05450	1.9
189.09157	15.3
189.12743	100.0
189.16295	4.9
190.13092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21516	0.8
53.03920	0.8
69.03422	3.6
69.46873	5.3
76.66856	0.7
91.05496	3.2
93.07047	1.0
105.07044	8.6
107.08597	1.1
115.05436	1.1
117.07020	2.9
119.08582	12.9
121.10142	1.0
128.06207	2.6
129.06955	1.6
130.07787	3.4
130.85849	0.8
131.08568	5.0
133.06459	1.3
133.10152	3.7
141.07014	7.6
143.07573	1.0
143.08556	5.8
144.09268	1.6
145.10126	18.6
146.10841	0.9
147.08038	3.5
147.11684	11.7
152.66856	0.7
155.08542	2.5
156.09355	49.1
159.08061	3.9
159.11697	13.9
160.08755	0.9
161.09592	0.9
171.11693	62.5
174.10397	6.6
189.12747	100.0
190.12985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98661	0.5
55.05498	1.4
66.69332	0.5
67.05503	1.5
69.03426	3.9
69.07053	1.1
70.95998	1.2
70.96317	0.8
79.05479	1.8
81.07042	1.7
81.78141	0.5
83.04970	0.7
85.02900	3.6
87.00851	0.8
91.05480	4.4
93.07044	1.3
95.04948	0.9
95.08575	0.6
103.05467	0.8
105.07034	10.1
107.08605	2.2
109.06522	1.0
115.05432	1.1
117.07012	3.2
119.04926	0.8
119.08586	16.3
121.10162	0.7
128.06229	2.0
129.07002	2.8
129.24695	0.6
130.07813	3.5
131.08589	5.5
133.06499	2.8
133.10123	5.7
135.04550	0.6
135.08055	1.3
141.06973	5.3
142.07785	1.0
143.08578	6.2
144.09343	1.3
145.10129	16.2
146.10915	0.8
147.06271	0.9
147.08037	6.2
147.11690	12.8
155.08521	2.2
156.09360	41.6
159.08052	4.2
159.11703	12.3
160.05168	0.8
160.08876	0.9
161.05963	1.9
161.09604	1.8
161.13289	5.6
171.11699	57.9
172.12108	1.3
174.06772	1.2
174.10419	8.8
181.66811	0.5
189.09294	2.7
189.12747	100.0
190.13074	1.1
199.62610	0.6
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
50.89825	0.4
70.54686	1.2
85.28722	0.3
91.05482	2.8
115.05463	4.3
115.87479	0.3
117.05775	0.8
117.07041	3.0
118.06553	55.7
132.08090	0.9
142.06534	5.9
143.07309	9.3
143.08427	0.6
144.04497	0.4
144.08096	23.6
145.06500	0.6
146.06018	100.0
147.06328	1.3
155.06068	1.4
160.07623	1.2
170.06032	8.6
188.07080	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.13727	0.4
58.51973	0.5
60.05443	0.4
70.56519	1.4
70.56904	0.4
84.80600	0.4
91.05479	4.1
94.49409	0.5
98.21461	0.5
99.70064	0.5
103.05487	0.8
104.30340	0.4
109.96285	0.4
114.72679	0.5
115.05465	5.3
117.05769	1.0
117.07017	4.1
118.06548	61.3
119.06927	0.6
132.08052	0.6
142.06554	5.3
143.07300	9.1
144.04469	0.7
144.08098	24.0
146.06015	100.0
147.06316	1.1
155.06064	1.0
160.07555	0.6
170.06015	8.0
188.07069	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	188.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	9.5
60.08166	0.3
69.78234	1.3
70.32755	0.3
85.06546	5.3
87.04472	3.0
129.09122	100.0
130.09419	0.3
188.16458	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.076
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
53.03946	1.2
53.08434	0.4
54.63314	0.5
55.01866	1.3
55.05513	3.9
57.03439	0.9
57.07074	1.0
58.14612	0.5
61.10189	0.4
66.99010	0.5
67.05489	1.0
68.99799	3.8
69.03436	0.6
69.07073	7.4
71.04967	0.5
71.15730	0.5
71.16097	0.5
73.06564	0.6
79.05499	22.2
81.07063	16.8
83.04987	6.5
84.08165	1.0
86.09716	2.0
87.00845	0.9
95.04928	0.9
97.06536	33.4
98.97589	0.8
101.06021	1.3
107.04961	2.8
109.06527	13.9
111.04459	2.0
115.05446	1.7
125.06001	100.0
126.06410	0.6
127.07522	1.0
143.04953	1.3
143.07045	1.2
153.05479	44.1
161.06012	1.2
171.06543	6.5
189.05482	1.6
189.07574	2.7
189.09093	1.0
189.12737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
53.03950	0.3
55.01877	1.4
55.05519	2.2
56.96564	1.7
57.03445	0.5
59.05015	0.6
60.08155	0.5
61.02929	0.4
67.05499	0.5
68.99795	1.3
69.03436	0.7
69.07076	3.0
70.06600	0.4
70.75223	0.5
70.98119	0.5
72.08161	0.5
73.06570	1.0
75.05613	0.5
79.05498	5.1
81.07063	4.9
82.00007	2.5
83.04993	3.2
84.08151	3.1
84.96018	0.4
85.02887	0.7
85.46232	0.3
86.09713	100.0
87.00858	0.6
87.04574	0.4
87.10047	0.7
89.95819	0.4
91.00532	3.2
92.21144	0.3
97.02861	0.4
97.06534	9.9
98.01297	0.9
98.97579	2.3
100.01029	0.6
101.02361	0.4
101.06073	0.4
103.00533	1.2
107.04987	0.7
107.99757	0.6
109.06543	2.7
110.01308	0.5
110.97558	0.6
111.04459	4.2
112.01019	2.2
115.03939	1.3
115.05464	0.6
115.07563	0.4
116.98654	0.7
117.00247	4.5
121.01540	1.7
125.06002	22.3
126.00763	5.9
128.98552	0.5
129.05504	0.9
130.08678	1.0
130.96587	0.4
132.10216	45.3
138.00769	1.0
139.00304	0.4
140.67538	0.4
143.07063	1.1
143.11810	26.6
143.39737	0.4
146.99620	0.5
147.00078	0.3
147.01274	3.8
152.20422	0.3
153.05478	13.4
156.01796	1.0
157.01395	0.6
157.04305	0.7
161.05983	0.6
171.06557	3.4
171.11414	0.7
174.06764	0.4
189.04031	0.5
189.05525	0.7
189.07591	1.5
189.09227	0.8
189.12370	3.4
189.16029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01867	2.9
55.05521	10.7
56.14142	1.2
56.96559	3.0
57.03432	4.6
57.07066	5.4
64.95505	1.2
67.05509	49.4
69.03445	8.8
69.07079	12.7
69.53661	8.5
70.06582	2.6
71.04998	100.0
72.08154	8.2
79.05497	10.9
81.03421	8.5
81.06594	2.8
81.07059	46.9
82.06559	1.5
83.04984	4.5
83.08614	4.7
84.04481	1.8
84.08152	16.2
84.96032	1.1
85.02901	5.5
85.06548	97.5
85.08472	1.7
86.09707	14.5
87.04453	2.9
87.05578	1.5
88.02235	10.6
91.05486	35.6
93.07063	10.4
95.04951	3.7
95.08621	10.6
97.02883	3.5
97.06536	3.8
98.21444	3.1
99.04462	3.6
99.08095	1.8
101.06045	1.4
103.05498	3.2
105.07037	27.9
107.08604	27.0
109.02875	3.2
109.06496	6.5
109.10165	56.0
113.06003	5.2
115.05418	1.7
117.07024	2.0
123.08076	4.0
123.11703	12.2
125.09646	1.9
127.03898	4.3
127.07504	2.2
127.11210	7.4
128.06230	1.7
129.06972	2.5
129.09142	4.6
129.10229	8.7
131.04929	5.0
131.08546	11.5
132.08089	1.7
133.10138	58.5
139.11180	2.2
141.07007	3.8
141.11104	2.3
142.08636	2.8
142.15938	1.6
143.08562	2.5
143.16248	11.8
144.05728	7.7
145.10138	13.4
151.11189	39.3
159.04443	4.7
159.08061	11.9
159.11734	6.2
169.04977	3.1
169.06371	1.8
169.10095	1.8
169.12251	28.5
172.05176	7.1
172.12387	1.6
173.00809	1.9
187.03952	10.8
187.06032	2.5
187.07542	29.8
187.11171	10.6
187.12680	2.5
187.14767	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	187.1331
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.50344	0.8
53.03947	2.4
55.01872	1.8
55.05513	9.6
57.03432	3.5
57.07074	5.8
65.03952	1.5
67.05508	57.4
69.03436	4.3
69.07074	8.9
69.94781	3.9
71.04998	75.1
79.05490	11.8
81.03423	3.1
81.07060	46.3
83.04983	6.6
83.08635	1.3
84.08139	2.5
85.02893	2.1
85.06548	100.0
88.02216	3.5
91.05485	42.7
93.07038	11.6
95.04969	2.6
95.08614	6.6
97.06542	3.1
98.21558	0.8
99.04489	1.7
102.41188	0.8
103.05475	1.9
105.07038	40.0
107.08596	35.1
109.02882	1.1
109.06524	6.3
109.10161	54.5
113.06022	1.4
115.05448	1.0
117.07027	1.1
118.61211	0.9
121.10148	1.3
123.08074	2.6
123.11711	10.6
125.09646	2.1
127.03941	1.7
127.07581	1.4
129.07028	1.3
131.04897	5.8
131.08566	5.9
133.10139	82.0
134.10466	1.0
139.11195	1.8
141.06990	1.8
144.05714	2.9
145.10109	4.3
151.11180	43.3
159.04446	3.1
159.08101	7.1
159.11732	1.5
169.04984	1.2
169.12248	17.9
172.05247	4.0
173.00928	1.2
187.03885	5.9
187.07573	14.1
187.11180	3.4
187.13176	2.5
187.14688	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	187.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05514	7.9
57.07082	3.9
66.19531	0.6
67.05509	32.9
68.86358	0.6
69.03425	1.4
69.07074	15.9
70.27760	0.7
70.56844	1.6
70.57184	0.7
71.04999	22.9
71.08646	0.8
79.05511	3.6
81.03411	1.6
81.07061	44.5
83.08628	8.9
85.06551	34.6
85.10181	1.7
88.02213	3.4
88.02741	0.6
91.05459	0.9
93.07063	2.2
95.08612	100.0
97.10162	0.8
99.08102	6.5
105.07047	0.9
109.10160	29.7
113.06012	0.6
113.09653	2.5
117.07067	1.0
123.11717	3.9
125.13279	2.1
131.04994	1.0
131.08563	2.0
144.05734	1.0
145.06584	0.7
145.10193	3.5
151.14835	4.1
159.08081	2.2
159.11729	1.9
169.04976	0.7
169.10164	0.6
169.15886	18.6
172.05232	0.8
173.00880	0.8
187.03932	1.9
187.07582	7.0
187.11200	3.1
187.14864	4.4
190.88327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
53.79558	0.3
55.05516	19.3
56.05037	1.4
56.96568	0.9
57.03436	0.4
57.05833	0.5
57.07074	0.4
67.05512	1.8
68.05029	0.7
69.03437	1.8
69.07059	1.6
69.66608	0.7
69.67023	0.8
70.02956	2.4
70.06577	1.4
71.04998	1.8
71.07384	1.3
72.08160	100.0
72.25269	0.3
73.02898	0.4
73.08498	0.4
73.42310	0.2
79.05498	2.1
81.03413	1.0
81.05804	0.3
81.07072	2.6
82.06583	28.1
83.04971	0.3
83.08612	0.7
84.04494	0.3
84.08147	6.2
85.02911	0.8
85.04037	3.1
85.06552	2.0
86.09713	5.3
88.02231	2.0
88.04000	6.9
91.05505	1.7
93.07052	0.9
94.06576	3.4
95.04958	0.6
95.08614	1.0
96.08136	13.6
97.02896	0.4
97.06564	0.3
98.02422	14.0
98.06051	0.5
98.09699	2.8
99.00835	0.5
99.04455	0.7
99.09224	9.2
100.07627	1.2
103.05481	0.4
105.07047	1.5
107.08603	1.2
109.02876	0.4
109.06564	0.3
109.10165	1.8
110.06016	0.3
114.09163	0.5
115.05450	0.4
117.07018	1.0
119.08605	0.6
122.25930	0.3
123.08076	0.5
123.11639	0.6
124.07597	9.7
127.03925	0.5
127.08683	33.8
128.06125	0.5
128.07082	9.7
128.09048	0.3
129.07005	0.6
129.09129	1.5
129.10237	3.3
130.07730	0.3
131.04950	0.8
131.08586	2.5
133.10141	1.7
141.05484	0.3
141.07001	0.7
141.09178	0.3
141.10222	1.1
142.08640	65.9
143.08856	0.4
144.05722	5.4
145.10149	3.1
151.11191	0.9
152.07086	1.1
154.52623	0.3
159.04437	0.6
159.06903	0.5
159.08058	1.4
159.11655	1.4
164.40019	0.3
169.04977	0.8
169.09732	5.1
169.12144	0.4
170.06017	0.3
170.08145	4.9
170.15367	0.7
172.05211	5.6
172.08836	0.5
173.00874	0.7
187.03954	2.4
187.07558	19.0
187.10817	15.8
187.12535	0.3
187.14789	2.9
197.16353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03944	2.9
53.40556	1.1
55.01867	2.9
55.05515	10.6
56.96565	3.9
57.03428	4.7
57.07073	5.9
65.03938	1.2
67.05507	53.9
69.03436	8.1
69.07063	12.5
70.06590	3.1
71.04996	100.0
71.40357	2.0
72.04542	1.4
72.08157	5.1
79.05502	12.6
81.03419	9.6
81.06591	2.2
81.07059	42.5
83.04984	5.8
83.08616	5.0
83.27711	1.0
84.04504	2.0
84.08144	15.3
85.02898	2.8
85.06549	96.3
85.08468	1.5
86.06003	1.3
86.09721	14.4
87.04465	2.4
88.02232	6.7
91.05485	38.4
93.07056	13.7
95.04974	2.8
95.08611	7.9
97.06549	3.4
99.04456	4.3
103.05486	3.0
105.07037	28.3
107.08602	29.2
109.02856	1.9
109.06534	6.6
109.10164	51.9
111.08019	1.0
113.05989	2.7
115.05441	2.0
116.06298	1.6
117.07002	2.2
121.10129	1.6
123.08072	3.1
123.11706	10.7
125.09635	3.7
127.03907	3.6
127.07584	3.3
127.11227	6.1
129.09132	3.8
129.10245	10.4
129.81149	1.2
131.04924	4.3
131.08572	8.6
133.10133	60.5
139.11186	1.5
141.06970	2.7
141.11037	3.2
142.08672	2.2
142.15866	1.8
143.08557	1.5
143.16267	7.0
144.05702	10.4
145.06523	1.2
145.10112	8.9
151.11192	39.9
154.00787	1.1
159.04434	1.6
159.06972	1.6
159.08061	10.0
159.11703	4.5
169.04950	2.3
169.12251	24.5
172.05196	10.4
172.08929	1.5
173.00803	2.8
187.02368	2.0
187.03889	11.0
187.05931	2.6
187.07545	33.6
187.11192	8.1
187.12932	1.9
187.14825	10.4
188.16530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03957	0.8
55.01869	3.5
55.05513	8.5
57.03428	1.7
57.06202	0.8
57.07058	1.1
67.05505	22.5
69.03413	1.6
69.07072	100.0
71.04999	30.9
71.38917	1.3
72.08144	1.2
72.88665	0.8
73.06187	1.1
73.06562	14.2
73.94193	0.7
79.05499	26.9
81.03429	2.6
81.07063	59.0
83.04964	2.2
83.08624	1.4
84.04499	1.8
84.08148	1.5
85.02908	2.0
85.06544	3.1
86.09698	3.5
87.04475	13.4
91.05454	2.6
92.16718	0.8
93.07048	22.8
95.04991	1.9
95.08613	16.2
97.06539	26.5
97.10196	1.4
98.06085	1.0
99.08092	5.5
101.06018	1.8
102.96857	1.1
105.07035	3.1
107.08608	7.1
107.38391	0.8
109.10172	1.7
111.08072	1.8
113.05915	0.8
114.05538	0.9
115.07591	5.6
121.06524	2.7
121.10152	21.7
122.09679	1.2
122.15541	0.8
123.08080	26.5
123.11673	4.5
125.05996	10.7
125.09641	1.0
129.07039	1.2
131.08595	2.7
139.07555	1.1
139.11188	44.3
140.10719	5.5
142.07843	1.0
143.07047	17.3
143.08583	1.4
149.09622	4.0
149.13252	0.9
157.06502	1.5
167.10695	28.7
167.12137	1.9
185.09937	1.7
185.11757	32.1
185.13245	2.4
186.11295	2.5
187.98648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01890	0.2
55.05514	3.1
56.96574	0.4
57.03445	0.2
59.14224	0.2
64.04007	0.2
67.05545	0.2
70.02955	0.3
70.06602	0.9
71.16122	0.4
72.08156	0.7
81.07063	0.4
82.06590	0.4
83.04984	25.9
84.04514	0.8
84.08147	1.7
85.02915	1.7
86.06112	0.2
86.09704	0.4
93.60100	0.2
94.07417	0.2
98.02455	0.2
98.06049	0.5
101.18883	0.2
102.99715	0.3
104.42115	0.2
112.02187	0.3
112.07581	0.2
114.05532	1.8
115.98611	0.2
117.03384	0.5
119.02898	0.2
121.00813	1.7
121.01626	0.3
123.46507	0.2
126.05517	1.4
126.06485	0.3
126.12798	1.1
127.07559	100.0
128.07913	0.7
139.01814	0.6
140.07053	0.8
142.08553	0.4
144.07637	1.3
145.02802	0.2
163.01810	4.1
168.10094	0.2
169.07169	0.5
172.05312	0.2
181.02873	3.4
186.05733	0.3
186.07607	1.3
186.09921	0.5
186.11307	0.5
186.14890	7.0
186.18494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
55.59776	0.2
58.42478	0.2
68.72947	0.2
70.62702	0.6
72.08163	0.2
83.04986	24.7
84.08147	0.5
85.02908	0.4
114.05530	0.6
116.99764	0.2
121.00818	0.7
126.05515	0.4
126.06638	0.4
126.12762	0.4
127.07561	100.0
128.07907	0.5
140.07050	0.3
144.07722	1.2
163.01866	1.1
178.04262	0.2
181.02910	0.8
186.07573	0.4
186.09943	0.5
186.14912	6.6
186.16585	0.4
187.07552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0812
Annotation	Genipic acid
Peak:m/z	Relative Intensity
53.03955	2.6
55.01879	3.2
55.05513	10.4
56.96568	1.4
57.03440	11.3
57.49157	0.5
58.06594	2.3
59.04997	1.1
60.95839	0.7
65.03947	1.0
67.05505	23.1
68.99800	3.2
69.03436	3.3
69.07069	9.5
69.91160	2.6
70.06589	1.6
71.05005	3.1
71.08610	0.6
72.08159	6.3
73.08473	0.7
77.03920	1.0
79.05499	7.5
80.05861	0.5
81.03409	1.6
81.07059	8.2
82.06571	0.7
83.04977	5.9
83.08621	2.2
84.04499	0.9
84.08150	2.8
85.02901	3.4
85.06548	1.9
86.09708	15.2
87.04470	2.1
91.05486	15.3
93.07046	87.0
94.07387	0.9
95.04976	8.0
95.06079	2.3
95.08608	28.6
96.08963	0.6
97.02895	1.7
97.06532	12.6
97.10132	0.7
98.07196	0.9
99.04446	1.3
99.08093	0.8
101.06025	2.3
101.95011	1.3
102.96888	3.1
103.05466	0.8
105.04532	1.3
105.07039	2.2
107.04942	1.8
107.08608	5.6
109.02864	0.5
109.06533	1.3
109.10157	1.4
111.04440	1.8
111.08086	25.1
113.06003	2.6
114.05504	0.7
115.03847	0.5
117.00213	0.6
120.02087	1.7
120.97920	2.6
121.00837	1.0
121.06517	15.6
121.10137	6.6
123.04470	0.6
123.08071	25.9
123.11751	0.7
125.02329	1.2
125.05984	6.7
125.09644	5.5
126.05659	0.6
126.06664	3.2
127.03970	0.6
127.07545	8.0
128.06195	1.0
129.05493	1.2
129.07022	3.1
130.06464	0.8
131.08459	0.8
136.06169	1.2
137.06631	0.6
138.98943	1.3
139.07542	100.0
139.11147	5.0
140.07906	1.3
140.14371	1.2
141.06996	0.9
142.02649	0.8
142.06815	0.6
142.07750	3.8
143.08563	1.9
144.06561	0.8
144.07686	8.4
149.06013	5.3
149.09645	2.9
152.06122	0.7
153.01776	1.0
154.07497	0.6
157.05063	0.7
157.06517	1.9
157.10152	3.4
163.01820	1.2
167.07050	39.8
167.10640	4.6
168.13905	0.9
169.07248	1.8
170.07320	4.6
170.10905	0.8
171.07974	0.6
181.02902	1.8
185.02718	1.7
185.04472	1.1
185.05905	1.2
185.08084	2.4
185.09569	15.3
185.11681	2.1
185.13268	2.1
185.16508	0.7
186.07588	0.6
186.09862	2.7
186.14949	0.8
186.18527	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	0.1
58.12094	0.1
62.90360	0.1
68.07970	0.1
70.96468	0.1
71.26694	0.2
71.27032	0.1
82.01456	0.2
82.99846	6.2
84.46138	0.1
97.79050	0.1
100.02511	0.2
101.00887	55.1
101.95039	6.0
102.00967	1.1
102.85087	0.1
108.70795	0.1
111.00436	0.5
119.01927	100.0
119.96077	1.5
120.01992	1.5
121.02354	0.3
124.02460	4.7
124.75256	0.1
125.02600	0.2
137.02966	15.6
137.97131	0.3
138.03047	0.2
142.03505	27.2
143.01903	1.0
143.03670	1.4
160.04564	4.1
160.41031	0.2
161.02969	14.9
161.04436	0.7
162.03236	0.2
165.05135	0.4
179.04015	13.6
180.04301	0.3
183.06198	0.1
184.04575	0.7
202.05701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22365	0.4
56.96569	2.6
57.03427	0.6
61.02923	0.5
61.11992	0.4
70.58919	0.8
70.98110	0.8
73.02907	0.4
75.01035	0.5
78.94938	0.4
79.54289	0.4
82.01424	0.6
82.99846	7.7
83.00314	0.7
85.02900	1.1
85.69590	0.4
86.09695	0.4
98.97591	1.5
101.00886	57.6
101.80441	0.4
101.95037	1.5
101.97193	0.8
102.01035	1.2
102.02244	0.6
102.96888	1.1
105.00273	0.4
108.88425	0.4
110.08238	0.4
110.09306	0.4
110.97534	0.5
111.00417	0.9
115.00614	0.6
115.02398	0.6
116.98592	0.5
117.01904	0.7
119.01926	100.0
119.96117	0.4
120.02027	0.9
121.02318	0.9
124.02454	5.5
131.01962	0.5
133.01607	3.0
137.02965	15.1
141.01297	0.6
142.03503	27.9
143.01917	2.4
143.03708	0.9
144.04797	0.8
151.02750	0.5
156.03256	1.2
160.04591	3.9
161.02966	17.9
161.04340	1.0
179.04024	12.9
184.02942	0.7
184.04599	1.3
202.03833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05035	1.4
56.96555	0.6
60.08167	14.7
69.92850	2.2
69.93260	1.5
71.07383	7.5
73.38065	0.6
84.08137	0.8
86.09709	80.5
87.10072	0.9
98.98470	10.9
101.95039	20.2
104.10751	3.7
115.05478	0.8
119.96065	6.6
125.00011	65.3
137.97075	3.2
138.09068	0.8
142.97668	1.7
156.21945	0.7
160.98679	3.0
166.08641	0.8
184.07350	100.0
185.13232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03957	0.8
55.01861	1.1
55.05513	9.3
57.03439	1.0
57.07062	2.0
59.05021	1.0
65.03926	0.7
67.05505	15.4
69.03426	0.6
69.07064	6.1
70.49461	1.5
71.01347	0.7
71.04996	6.2
79.05495	7.1
81.07059	59.0
82.07378	0.5
83.04979	2.1
83.08151	0.8
83.08623	9.8
83.97239	0.6
85.02915	0.6
85.06551	3.1
85.62811	0.5
91.05481	6.1
93.07047	8.0
95.04980	4.2
95.08607	13.1
97.06524	8.5
98.98473	1.0
99.04466	4.6
99.08074	0.9
101.06032	2.9
105.03407	1.0
105.07034	18.1
107.08604	8.3
109.06499	2.8
109.10147	2.1
111.08102	1.3
113.06035	1.1
119.08585	10.7
120.66872	0.6
121.10148	22.3
123.04447	4.3
123.08088	1.9
123.11709	100.0
124.12053	0.6
127.07572	1.0
137.05986	0.6
137.09624	0.9
137.13272	4.6
139.07553	1.1
140.04706	1.2
145.10135	0.7
147.11690	41.3
155.07104	0.7
165.09167	0.7
165.12755	26.8
183.06480	0.9
183.08012	0.7
183.11679	0.7
183.12259	0.8
183.13853	6.3
183.15509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	Geranyl formate
Peak:m/z	Relative Intensity
51.02387	0.4
53.03942	1.8
55.01865	1.8
55.05516	5.7
56.96577	0.4
57.03423	1.1
57.07078	2.8
57.38145	0.5
67.05509	7.6
67.13830	0.4
69.03416	1.3
69.07073	22.1
71.04655	0.4
71.04981	2.4
71.08636	26.1
72.08121	0.5
79.05515	2.1
79.05894	0.5
81.03451	0.9
81.06595	0.8
81.07065	15.6
83.04974	1.4
83.08614	2.3
85.02909	2.4
85.06549	26.7
90.98387	0.4
91.05482	1.8
92.22266	0.4
93.07049	1.5
95.04971	6.9
95.08611	12.2
97.06525	1.2
97.10180	0.8
98.98478	3.6
99.04465	1.6
99.08104	17.9
100.55269	0.4
101.95074	0.5
105.03413	2.4
105.04493	0.7
105.07044	2.3
107.08588	1.3
109.06541	2.2
109.10172	3.7
111.04485	0.7
111.08070	0.5
111.11729	1.0
113.05973	0.5
119.08582	2.3
119.24001	0.5
121.10149	1.3
123.04443	7.0
123.05331	0.6
123.08068	1.8
123.11717	3.6
124.05197	1.2
125.05981	0.5
125.09612	0.5
127.01571	0.5
127.07569	0.8
133.02834	0.5
137.06009	1.1
137.09610	1.2
137.13258	1.5
139.07582	2.1
140.04694	1.5
141.09146	0.5
147.11665	2.6
153.07007	0.7
155.04926	0.5
155.07152	2.4
155.08572	1.6
155.14316	100.0
156.14691	0.9
165.05527	0.6
165.09123	1.1
165.12778	1.5
183.04532	0.5
183.06523	1.8
183.08095	1.4
183.09825	0.9
183.10146	0.7
183.11597	2.2
183.13791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	13.2
55.05274	0.5
55.05512	5.1
57.03430	2.8
57.07066	1.9
59.04992	0.9
65.03940	1.5
67.05505	45.2
69.03083	0.7
69.03429	7.0
69.07077	3.6
71.04995	6.1
71.51595	0.7
72.08136	0.7
74.09692	0.9
75.10647	0.4
77.03912	0.9
79.05067	0.9
79.05495	10.0
80.76289	0.5
81.03422	2.0
81.07057	39.7
83.04985	1.6
83.08630	1.0
85.02905	1.8
85.06534	4.3
91.05486	3.4
93.07043	7.6
95.04969	15.2
95.08613	18.5
97.02888	0.6
97.06538	8.1
98.98462	3.0
99.04451	6.1
99.08074	2.9
105.03385	3.0
105.04513	1.4
105.07023	2.0
107.04945	0.8
107.08595	4.2
108.05772	0.7
109.06516	3.3
109.10160	100.0
110.10498	0.7
111.04422	1.1
111.08111	1.2
113.06003	4.4
113.09616	0.7
119.08586	6.7
121.10162	4.2
123.04433	8.7
123.08096	3.9
123.11694	1.2
124.05224	1.9
125.06000	31.4
125.09598	0.8
127.01576	0.6
127.07595	1.0
137.06033	1.1
137.09621	46.7
138.10054	0.6
139.07539	3.8
140.04665	3.1
141.05469	0.5
143.07037	2.3
147.08061	2.0
147.11670	1.0
150.23801	0.5
153.09138	1.8
155.07065	2.0
155.08621	1.1
155.10667	4.5
165.05510	0.7
165.09116	18.3
165.12752	1.4
168.09366	0.7
178.47618	0.5
183.06706	3.1
183.08145	1.2
183.10175	10.8
183.11743	1.9
183.13712	0.8
184.07434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	13.2
55.05274	0.5
55.05512	5.1
57.03430	2.8
57.07066	1.9
59.04992	0.9
65.03940	1.5
67.05505	45.2
69.03083	0.7
69.03429	7.0
69.07077	3.6
71.04995	6.1
71.51595	0.7
72.08136	0.7
74.09692	0.9
75.10647	0.4
77.03912	0.9
79.05067	0.9
79.05495	10.0
80.76289	0.5
81.03422	2.0
81.07057	39.7
83.04985	1.6
83.08630	1.0
85.02905	1.8
85.06534	4.3
91.05486	3.4
93.07043	7.6
95.04969	15.2
95.08613	18.5
97.02888	0.6
97.06538	8.1
98.98462	3.0
99.04451	6.1
99.08074	2.9
105.03385	3.0
105.04513	1.4
105.07023	2.0
107.04945	0.8
107.08595	4.2
108.05772	0.7
109.06516	3.3
109.10160	100.0
110.10498	0.7
111.04422	1.1
111.08111	1.2
113.06003	4.4
113.09616	0.7
119.08586	6.7
121.10162	4.2
123.04433	8.7
123.08096	3.9
123.11694	1.2
124.05224	1.9
125.06000	31.4
125.09598	0.8
127.01576	0.6
127.07595	1.0
137.06033	1.1
137.09621	46.7
138.10054	0.6
139.07539	3.8
140.04665	3.1
141.05469	0.5
143.07037	2.3
147.08061	2.0
147.11670	1.0
150.23801	0.5
153.09138	1.8
155.07065	2.0
155.08621	1.1
155.10667	4.5
165.05510	0.7
165.09116	18.3
165.12752	1.4
168.09366	0.7
178.47618	0.5
183.06706	3.1
183.08145	1.2
183.10175	10.8
183.11743	1.9
183.13712	0.8
184.07434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02384	1.2
53.03952	15.1
55.01874	3.7
55.05510	1.4
56.96603	0.4
57.03441	1.0
58.37785	0.4
65.03947	3.2
67.05508	11.3
69.03419	1.0
69.07061	1.9
69.43165	0.4
70.14415	0.7
70.14816	0.9
71.04996	2.6
72.90926	0.4
77.03944	3.1
79.05506	2.5
80.02626	0.5
81.03423	11.5
81.07056	4.0
83.04980	2.3
83.08627	0.6
85.02917	1.7
85.06544	1.1
91.05482	4.4
93.03424	0.6
93.07056	1.9
95.04974	97.2
95.08618	4.2
96.05276	0.8
97.02887	1.1
97.06525	1.4
98.03684	0.4
98.98465	1.0
99.04456	2.6
105.03387	1.5
105.04525	8.5
105.07041	2.0
107.08589	1.7
109.02887	0.5
109.06524	1.3
109.10151	3.2
110.03625	0.5
111.04434	1.0
119.08581	3.8
121.03975	0.8
121.06513	1.3
121.10110	1.3
123.04435	100.0
123.08061	1.7
123.11723	2.2
124.05222	0.6
125.02367	4.4
125.06017	1.0
127.03905	0.7
127.07534	0.5
137.05977	0.6
137.07990	2.2
137.09599	4.3
139.07541	1.6
140.04692	35.8
147.08023	1.1
147.11711	1.0
155.07042	30.3
165.05457	0.9
165.07422	1.3
165.09111	3.0
165.12834	0.7
166.08621	0.6
168.30820	0.4
180.76060	0.5
183.06570	9.1
183.09143	1.8
183.10385	0.9
183.13780	1.7
184.07529	0.5
191.83223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01857	9.1
56.96553	9.1
57.03432	24.7
61.02932	17.5
64.37390	2.4
69.03445	20.7
69.44376	2.2
69.49713	14.7
73.02922	57.8
77.89436	2.1
81.03412	7.5
82.99839	8.1
85.02444	3.2
85.02906	36.5
86.03686	3.0
87.01911	4.1
89.00867	2.8
93.01899	5.6
96.02417	4.8
96.92831	14.3
97.02920	21.8
98.21465	5.4
98.97585	12.0
99.02020	3.2
99.04437	6.3
100.00095	2.8
100.02552	4.8
100.97198	4.9
100.97979	3.9
101.00890	68.1
102.02420	12.7
103.02447	2.4
108.02359	3.0
109.02904	6.1
110.97596	3.5
111.02933	10.7
113.00883	18.3
114.01004	6.1
114.02401	6.5
115.02410	5.0
116.98653	4.2
117.02901	6.7
118.98240	2.7
119.01929	100.0
120.02380	5.7
120.03457	2.7
121.03184	3.5
121.52953	5.1
122.02199	2.9
123.02883	11.0
124.02467	4.7
126.02484	3.0
127.02400	7.4
127.03934	12.0
128.02312	7.3
128.98618	3.5
129.02905	7.7
129.03876	2.5
131.00218	2.6
131.01898	33.3
132.01994	15.2
132.03433	8.7
135.03053	2.5
137.02893	9.5
137.07951	5.7
138.03415	11.1
139.02461	3.0
141.03963	3.5
142.03499	36.7
143.01901	48.0
144.03482	3.7
145.03416	13.6
147.01372	4.5
147.03967	3.7
149.02991	5.5
153.03951	2.7
155.01886	31.3
155.03641	16.6
157.03471	13.5
160.02798	4.1
160.04578	15.7
161.02965	39.7
162.04501	4.8
167.01898	10.6
173.02992	35.0
175.04559	3.9
178.02539	8.1
179.02049	4.3
179.03941	8.5
179.05492	2.8
181.03369	2.6
183.03180	4.5
183.06271	3.5
185.02963	25.2
186.03192	3.4
189.00868	2.7
191.04053	2.7
197.02942	5.6
199.04588	2.7
201.04240	6.7
202.32022	2.7
203.04041	17.8
204.04364	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03955	1.7
53.58411	0.7
53.68986	0.6
55.01846	0.8
55.05518	3.5
56.96555	2.3
58.02961	1.4
63.10175	0.8
63.57685	0.7
65.03928	2.5
67.05179	1.3
67.05507	15.0
68.05023	2.5
69.03416	0.9
69.07065	3.3
70.02958	1.2
70.06602	5.4
70.07951	3.6
72.08153	0.8
79.05078	1.4
79.05499	19.2
80.05015	2.6
81.03443	1.2
81.07064	28.4
82.06568	1.5
83.04964	1.7
83.08639	1.0
84.04514	0.9
84.08144	4.7
86.02447	3.9
86.06075	1.2
90.04237	1.2
91.05488	5.4
92.05001	2.0
93.05805	3.7
93.07035	2.2
94.06570	1.8
95.04967	6.2
95.08597	1.7
96.04478	2.0
96.08107	1.2
97.06543	8.0
98.06072	2.0
98.09679	2.7
98.20840	1.0
98.97586	9.4
99.97928	3.6
106.06554	1.4
107.07320	2.9
107.08551	1.0
108.04507	2.1
108.08129	47.5
109.06535	6.2
110.05392	0.8
110.06056	4.5
111.04427	1.1
112.07597	1.2
116.98601	6.7
117.98955	2.0
118.03715	1.4
118.06549	2.8
119.04971	1.9
120.04433	0.8
121.05237	2.3
122.06020	2.2
122.10480	1.3
123.04435	3.5
123.06861	0.9
124.05221	1.8
124.07575	2.7
125.05072	1.3
125.05998	23.6
126.05527	26.9
126.09164	16.0
129.18674	0.7
134.05983	1.0
134.99648	2.1
136.00006	1.1
136.04761	1.9
136.07585	76.7
137.06000	1.2
138.05473	3.0
139.07571	1.1
140.07040	1.2
141.05521	1.0
146.03192	1.9
150.05424	1.1
152.07047	1.0
153.07814	1.6
154.04982	0.7
154.07390	1.2
154.08635	26.9
164.04297	10.5
164.07076	78.3
165.05501	1.0
171.55544	1.1
182.04649	3.5
182.08134	100.0
182.11752	3.3
182.15393	2.4
182.18973	1.5
183.08641	0.7
184.38103	0.7
192.81908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.95638	0.4
55.05274	0.5
55.05513	5.1
56.96567	0.6
57.03428	0.9
57.07082	2.2
58.02967	23.3
66.86948	0.4
67.05508	15.1
69.03428	0.5
69.07074	49.1
69.72134	2.8
70.06585	1.8
70.07385	0.5
71.35515	0.4
74.06066	0.6
79.05495	4.1
81.07064	13.3
83.04983	1.5
83.08627	5.6
84.08149	6.3
86.06067	1.1
91.05487	3.1
93.07058	8.0
95.04971	1.8
95.08607	5.0
96.08111	0.6
97.06539	3.1
98.06045	2.0
98.09681	1.4
98.97594	3.2
99.97914	1.5
100.07628	5.9
105.07043	11.7
107.08601	14.0
108.08146	0.6
109.06509	1.6
109.10168	37.4
112.07616	1.9
114.09176	13.5
116.98589	0.8
119.08554	1.1
121.10126	1.0
123.08055	1.2
123.11725	6.5
126.06262	0.6
126.09165	11.5
126.12784	1.0
128.10764	0.5
133.10139	25.8
134.99649	0.5
135.10712	1.0
135.11700	14.3
136.07567	0.7
137.13272	0.5
138.12779	13.8
140.00157	0.5
140.10701	1.2
140.14346	0.6
147.11688	3.6
151.11197	10.0
153.12749	10.8
154.08623	1.0
154.15944	1.1
164.14351	2.0
165.12750	2.2
165.15009	0.4
182.15417	100.0
183.15787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1906
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
53.03921	0.5
55.05514	12.9
56.96541	0.6
67.05492	1.2
69.03421	0.4
69.07056	0.6
70.06589	0.5
71.52086	0.5
72.08160	0.8
79.05499	0.8
80.04985	0.5
81.07058	0.9
83.04980	1.0
83.08624	23.2
84.08176	0.6
87.04462	0.4
89.47073	0.4
90.07748	0.4
91.05489	0.6
93.07053	1.0
94.07354	0.5
95.04962	1.7
95.08605	0.7
96.05369	0.5
97.02917	0.4
97.06529	0.7
98.09721	0.4
98.97597	2.9
99.97938	1.5
100.11268	20.9
106.07381	0.4
107.08558	0.8
108.08142	0.9
108.08922	0.7
111.04429	1.0
112.07573	0.7
116.98666	2.3
117.98927	0.6
118.07305	0.6
119.04951	0.6
119.08576	0.5
122.06059	0.5
122.10477	0.9
123.04432	1.5
123.07971	0.5
124.07580	0.5
126.06380	0.6
126.09153	0.6
134.99689	0.8
136.07571	4.5
136.08440	0.5
140.00218	0.5
146.10480	1.1
154.08618	1.8
154.12373	1.9
160.40041	0.4
164.07076	1.6
164.11639	0.6
165.05482	0.5
167.08495	0.5
168.55504	0.4
182.01100	0.5
182.08157	2.0
182.19055	100.0
183.19351	1.4
184.10924	0.5
190.26674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03934	1.0
55.01877	2.4
55.05513	1.7
57.07080	30.6
58.63107	1.0
59.04998	2.7
59.90784	0.9
62.49318	0.9
68.88835	0.9
69.07062	3.8
69.17608	2.0
69.18013	8.0
70.54607	0.8
79.05504	9.4
81.03445	7.4
81.07057	5.1
83.04987	55.1
93.07039	5.7
95.04462	1.3
95.04987	15.1
97.06538	30.5
97.07158	1.8
98.97572	1.9
100.74526	1.0
105.07054	3.2
107.08609	7.6
107.86149	0.9
116.98663	0.9
117.07013	1.6
119.08578	3.7
121.06521	3.7
121.10162	8.3
123.39508	0.9
125.06004	90.5
130.07771	1.3
135.11693	3.8
142.32329	0.9
145.10132	11.0
163.11194	100.0
181.12251	41.8
181.13896	1.0
182.31091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	0.8
55.01880	0.7
55.05513	10.8
56.96566	6.4
57.03434	0.8
57.07074	2.8
59.04997	2.0
67.05517	3.0
69.03429	1.2
69.07073	3.6
70.16515	1.7
71.04985	1.2
71.95262	2.0
79.05497	4.3
81.07054	7.0
81.35036	0.5
83.04977	4.5
83.08624	8.5
85.06540	1.8
91.05473	2.2
92.64735	0.6
93.07047	8.9
95.04963	1.7
95.08608	7.5
97.02907	0.7
97.06551	3.6
97.10150	1.4
98.97588	100.0
99.04475	3.6
99.08073	0.6
105.07036	1.2
107.04989	0.9
107.08598	13.5
109.06485	0.9
109.10168	1.9
111.04435	0.8
111.08123	1.6
113.06059	0.6
116.98625	54.7
119.08585	1.2
121.06511	2.4
121.10152	8.7
123.08070	1.9
125.05993	7.9
125.09586	0.8
130.07835	0.5
134.99666	15.1
135.04381	0.6
135.08105	0.9
135.11691	16.4
137.13313	1.0
139.03908	0.6
139.07545	2.3
140.00203	8.0
145.10158	4.3
153.00708	1.0
153.07420	0.8
153.12717	0.6
154.53824	0.5
158.01271	5.1
160.97467	0.6
163.03926	1.7
163.11183	16.1
163.14827	4.1
176.02429	0.8
181.02818	0.8
181.12236	55.7
182.12560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1588
Annotation	5-(1-Methylethyl)-2-propyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03946	0.8
55.01870	2.5
55.05513	9.0
56.96566	5.9
57.03436	3.0
57.07080	13.5
58.36411	0.6
59.05002	1.5
61.78091	0.7
67.05510	9.1
69.03429	1.7
69.07074	6.4
70.18494	2.7
71.04995	7.5
71.08621	0.9
71.95274	2.2
79.05499	13.0
81.03408	1.6
81.07067	9.6
83.04986	29.6
83.08631	2.6
85.06559	3.6
91.05486	2.6
93.07049	11.0
95.04961	4.0
95.08611	8.3
96.04160	0.6
97.06531	11.0
97.10166	0.8
98.97591	100.0
99.08116	1.8
103.02299	0.6
105.07040	2.0
107.04964	1.2
107.08599	10.9
109.10180	3.0
111.08073	5.8
113.09673	1.4
116.98629	61.2
119.08564	1.0
121.06554	0.7
121.10152	8.7
123.08066	0.8
123.11690	1.5
125.06010	18.4
125.08775	1.4
125.09643	19.4
134.99664	26.2
135.11707	2.4
139.11189	11.4
140.00198	13.4
145.10158	1.6
153.00713	2.3
158.01268	10.7
163.03860	0.9
163.11188	17.1
163.14835	2.2
176.02313	1.3
181.02780	1.5
181.04971	0.8
181.09941	0.8
181.10730	1.1
181.12288	8.7
181.15883	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.11439	1.5
53.03945	5.8
55.01864	4.4
55.05519	10.8
56.96562	6.9
57.03434	4.0
57.07087	9.8
59.05002	15.7
65.03942	2.2
67.05508	14.0
69.03436	40.9
69.07072	17.8
69.75115	9.3
70.75880	1.7
71.04999	16.2
75.50165	1.6
79.05496	96.7
81.03410	2.1
81.07057	22.0
83.04985	27.8
83.08620	22.3
85.02924	2.7
85.06563	4.2
91.05479	15.7
93.07047	33.0
95.04968	13.6
95.08638	8.8
97.02893	15.8
97.06535	73.4
98.21402	3.3
98.97588	100.0
103.05463	2.2
105.04511	4.3
105.07036	20.5
107.04955	22.6
107.08603	31.4
109.06527	4.0
109.10159	10.8
111.04443	7.2
111.08083	9.1
115.05375	1.9
116.98624	51.7
117.03387	2.1
117.07021	7.2
119.08586	8.9
121.06506	14.2
121.10148	59.0
122.07278	7.8
123.08075	17.6
125.05984	18.3
125.09602	2.3
130.07780	6.7
134.99643	11.3
135.04445	3.2
135.08081	8.8
135.11694	30.5
137.05965	3.3
137.09628	42.8
139.07495	2.2
139.11214	2.3
140.00174	4.9
141.03116	1.7
143.08546	2.7
145.10132	66.7
158.01355	2.3
163.03896	6.2
163.11185	62.1
169.06204	5.6
181.04958	5.9
181.08713	4.7
181.12231	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.01868	2.1
55.05518	6.1
56.96565	3.5
57.03447	0.9
57.07069	1.9
59.05014	0.6
60.31097	0.6
65.03929	1.9
67.05510	6.0
68.65751	0.5
69.03436	9.9
69.07075	4.2
69.78938	2.5
70.06586	0.5
70.44824	0.5
71.04994	2.3
71.95271	1.1
77.03944	0.7
79.05499	27.9
81.03437	0.8
81.07066	17.1
83.04987	3.7
83.08636	4.4
85.06543	2.1
91.05489	11.8
93.07050	36.3
95.04990	4.1
95.08624	4.3
97.06536	7.2
98.97592	50.6
99.04461	2.8
103.05482	1.0
105.07033	11.4
107.04958	2.5
107.08601	100.0
109.06483	3.0
109.10178	2.0
111.04462	0.9
111.08089	1.5
113.06002	1.0
116.98630	25.6
117.07021	2.1
119.08571	4.8
121.06528	4.0
121.10152	47.8
123.08049	2.8
125.05992	5.3
125.09641	0.8
130.07780	1.1
134.99652	7.7
135.04433	1.4
135.08084	1.4
135.11703	19.8
137.05939	0.8
137.09627	2.0
139.03938	0.9
139.07549	1.6
139.11171	1.1
140.00204	2.3
145.10130	10.6
148.08971	0.6
151.07306	0.5
152.83051	0.7
153.06863	0.6
153.12814	0.9
154.16267	0.7
158.01308	2.3
163.03867	3.2
163.11200	28.4
181.04982	3.3
181.06444	1.0
181.08545	1.7
181.12268	10.7
181.15800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	3.4
55.05516	11.4
56.96570	6.4
57.03432	2.5
57.06825	0.9
57.07073	5.8
65.03933	1.2
67.05504	13.7
69.03418	3.4
69.07073	7.1
71.04997	1.3
71.51841	1.0
71.95260	2.4
78.66162	0.9
79.05497	20.5
80.32207	0.8
81.03415	1.5
81.07057	14.8
83.04991	8.0
83.08611	4.7
85.02912	1.0
85.06538	2.6
91.05484	9.0
93.07047	31.3
95.04987	4.8
95.08615	27.3
97.02891	1.5
97.06548	9.1
97.10161	1.0
98.97591	100.0
99.04453	1.3
103.05448	1.6
105.07038	5.7
107.04960	5.0
107.07880	1.3
107.08601	20.5
109.06521	3.4
109.10161	2.4
111.04456	7.6
111.08097	4.0
113.05992	1.1
114.76099	1.0
116.98626	55.5
117.07024	6.0
119.04974	4.6
119.08589	4.6
121.06509	8.3
121.10142	13.9
121.12078	0.9
123.08054	3.0
125.05066	1.4
125.06001	28.1
125.09606	1.5
130.07739	1.1
133.10114	1.2
134.99680	15.7
135.04381	1.3
135.08089	5.2
135.10696	1.8
135.11690	24.8
137.09596	0.9
138.06776	1.3
139.07529	3.0
139.08551	0.8
140.00198	6.6
145.02849	1.2
145.10127	14.9
149.06081	1.1
153.00711	1.2
153.05522	1.1
153.09068	1.2
153.12738	4.9
158.01202	5.3
163.03952	4.8
163.11192	32.2
163.14801	2.3
166.07782	1.2
181.04947	2.6
181.06451	2.9
181.08688	2.1
181.10464	1.4
181.12241	46.7
181.15820	3.1
182.12416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	1.8
55.01870	5.9
55.05510	7.2
57.03441	7.6
57.07075	1.3
64.78271	0.6
65.03938	1.7
67.05506	31.6
69.03429	2.7
69.07069	7.8
69.73777	3.5
71.04986	4.4
73.75402	0.6
78.58280	0.6
79.05494	24.7
81.07057	79.0
83.04993	7.3
83.08595	3.0
85.06542	6.1
87.42612	0.6
91.05482	31.5
93.07047	36.5
95.04972	3.7
95.08609	65.8
96.08941	0.7
97.06530	19.5
97.10161	0.8
99.08100	8.2
105.07034	35.0
106.07372	0.6
107.08595	19.3
109.06525	5.4
109.10161	7.3
111.08069	5.2
117.06982	3.0
119.04948	4.3
119.08585	53.0
121.06516	1.9
121.10150	15.7
123.04424	1.4
123.08068	8.7
123.11747	1.3
124.70244	0.6
130.53247	0.6
131.08607	0.8
132.09367	0.7
133.02849	0.9
133.06519	1.3
133.10135	31.6
135.11697	33.9
137.05956	1.0
137.09645	4.1
137.13271	3.1
143.32503	0.5
146.03616	0.6
147.04395	4.8
151.11212	1.4
151.14830	1.1
159.11633	0.7
161.05984	3.6
161.13258	91.2
162.13576	1.3
165.09943	0.6
179.03401	2.7
179.06944	2.5
179.10796	2.6
179.14314	100.0
180.14680	0.8
188.04301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	3.0
55.01878	5.9
55.05519	14.5
57.03441	5.8
57.07079	11.0
59.04998	2.3
59.78930	1.4
65.03923	1.3
65.71379	1.2
67.05508	32.7
69.03445	8.1
69.07073	23.8
69.38746	10.4
71.04987	3.5
71.08624	4.8
76.02222	1.6
77.42903	1.1
79.05506	9.4
80.81187	1.3
81.03428	2.9
81.07061	27.3
83.04984	39.6
83.08631	5.9
83.58551	1.2
84.87165	1.3
85.06522	4.7
90.33192	1.2
91.05486	21.5
93.07047	21.5
95.04971	26.4
95.08614	100.0
97.06468	1.3
97.10166	2.1
103.05457	2.3
105.03387	5.6
105.07031	27.4
107.07891	1.6
107.08601	32.5
108.05724	1.3
109.06523	17.1
109.10165	39.8
111.08080	3.2
115.05445	2.9
117.07017	2.6
119.04954	12.8
119.08586	26.6
120.08163	1.5
121.06513	18.7
121.10150	27.5
123.04429	6.5
123.08076	45.7
123.11721	7.1
131.08559	1.4
133.02858	3.0
133.06516	14.5
133.10146	18.9
135.08073	2.3
135.11691	24.4
137.06003	4.0
137.09628	26.2
137.13239	5.3
147.04414	18.6
151.03891	2.4
151.07501	2.3
151.11157	3.2
151.14832	41.5
161.06010	12.8
161.09610	12.9
161.13277	24.5
162.09186	1.9
164.04620	1.4
169.17461	1.4
179.03416	17.4
179.07132	11.5
179.10735	17.6
179.14314	95.6
180.10143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03928	0.6
56.96539	0.5
63.02377	0.5
65.03919	0.4
65.13967	0.3
69.60971	0.6
69.61384	1.2
77.03932	0.4
79.05500	2.5
83.04980	0.5
89.03920	12.5
91.05474	1.1
93.07028	0.7
95.04948	1.1
98.97586	11.5
107.04956	4.7
111.04434	0.6
116.98640	4.0
117.03384	18.0
119.04985	0.4
121.06522	2.2
121.10062	0.5
122.06838	3.6
134.99654	0.9
135.04420	31.6
136.04930	0.3
137.06026	0.8
139.03911	0.5
145.02850	21.6
149.05951	0.4
163.03906	100.0
164.01607	0.4
164.04253	1.1
175.85542	0.4
181.05096	1.6
181.08557	1.0
181.12231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03935	0.4
54.25571	0.3
55.05503	1.8
57.07077	0.9
59.05003	3.3
67.05499	1.8
69.03415	1.6
69.07066	2.1
69.23775	2.1
69.24200	1.4
73.02910	0.5
79.05492	4.0
81.07068	4.3
83.04994	0.8
83.08622	0.7
87.04488	0.4
91.05475	1.9
93.07051	11.7
95.04967	0.7
95.08616	10.5
97.06521	2.2
98.97589	8.5
105.07042	2.3
107.04964	0.7
107.08602	24.2
109.10162	1.9
111.04439	1.1
111.08070	1.0
116.98636	2.9
117.07012	0.5
119.08623	3.1
121.06522	3.4
121.10150	13.1
123.08098	2.0
125.06010	3.5
130.07788	0.5
135.11700	32.8
136.12047	0.5
137.09589	0.4
137.13264	1.3
139.07561	5.6
140.00211	0.6
145.09061	0.7
145.10136	7.9
153.12732	1.3
158.01231	0.5
163.11191	23.4
181.12245	100.0
182.12613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03950	6.3
54.13457	1.1
55.01875	8.8
55.05515	25.8
57.03424	4.1
59.04990	1.2
65.03942	3.5
67.05508	100.0
69.03422	2.7
69.07072	16.2
69.86366	4.0
71.04992	2.4
73.06543	1.2
79.05496	71.1
81.03423	22.2
81.03876	2.2
81.07061	98.3
83.04494	1.7
83.04989	36.9
83.08629	15.4
85.06538	4.2
91.05486	60.1
93.07052	45.8
95.04984	8.4
95.08614	84.2
97.05927	2.1
97.06536	37.5
97.10172	4.0
98.20909	1.3
99.08094	3.2
105.04588	1.3
105.07038	33.5
107.08606	14.9
109.06525	9.0
109.10162	16.6
111.08075	10.3
113.09657	13.0
117.07013	1.6
119.04923	3.1
119.08589	37.0
121.10157	8.2
123.04434	2.2
123.08081	5.0
123.11708	2.1
130.78438	0.9
131.08546	1.8
133.02902	1.2
133.06438	2.2
133.10136	27.5
135.11702	8.3
137.09602	2.3
147.04428	4.2
159.11720	1.7
161.06012	3.2
161.11989	1.9
161.13268	24.9
174.05438	1.1
179.03400	5.7
179.06538	6.4
179.08534	1.6
179.14322	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	2.1
54.23455	1.2
55.01863	4.5
55.05518	15.6
56.96555	1.5
57.03426	5.1
57.07061	4.1
59.04989	2.3
65.03935	2.3
67.05511	89.3
69.03439	9.3
69.07079	13.6
69.64035	3.2
69.64465	4.3
71.04999	5.6
75.23440	1.1
79.05502	14.2
81.03432	2.1
81.06599	2.6
81.07069	50.1
83.04958	5.0
83.08641	2.6
91.05494	16.1
93.07048	22.2
95.04990	15.4
95.08614	100.0
96.08959	1.3
97.06534	1.4
105.07035	16.9
107.04918	1.2
107.08604	9.0
109.06532	8.2
109.10168	65.8
110.23920	1.1
117.07027	2.5
118.08623	1.0
119.04963	4.2
119.08611	16.8
121.06527	1.2
121.10143	5.6
123.04446	2.8
123.08096	12.4
123.11725	2.5
133.06488	4.9
133.10136	10.6
135.11745	6.1
136.02127	1.4
137.09621	22.3
137.13248	2.3
147.04417	8.9
151.11229	2.8
151.14835	13.5
161.06004	5.1
161.09668	1.3
161.13251	8.0
163.03918	1.3
164.04019	2.4
179.03419	10.2
179.06528	7.8
179.08504	2.4
179.10687	4.3
179.14322	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.01552	1.2
53.03937	1.7
55.01880	10.7
55.05510	9.0
56.96556	5.1
57.03448	7.5
57.07059	3.1
60.21313	1.2
63.93089	1.2
65.03939	1.8
67.05509	33.4
69.03417	4.0
69.07072	7.8
70.98155	2.0
71.04990	3.6
71.24932	2.2
79.05505	21.3
80.05000	1.3
81.07064	85.6
83.04998	7.8
83.08621	4.5
85.06559	7.6
88.30595	1.4
88.63554	1.1
91.05492	34.5
93.07049	36.0
95.04971	5.5
95.08616	77.2
97.06548	13.4
99.08099	7.0
103.05471	2.5
105.03415	1.4
105.07045	46.1
106.07386	1.4
107.04958	2.7
107.08604	19.6
109.06547	6.5
109.10166	6.0
111.08088	4.7
117.07007	1.7
119.04948	12.6
119.08588	54.4
121.06477	2.4
121.10151	16.2
123.04440	4.5
123.08076	8.2
123.11736	2.0
133.02844	3.3
133.06488	6.8
133.10141	38.2
135.04408	1.4
135.11714	32.4
137.05977	3.8
137.09599	5.1
137.13223	2.0
146.03673	1.6
146.07346	1.3
147.04425	19.5
149.07941	2.5
151.11200	4.1
161.06024	10.8
161.09610	2.8
161.13271	88.8
162.09187	1.9
162.13695	1.5
163.03917	3.8
179.03436	20.6
179.06836	13.2
179.08783	3.7
179.10632	6.4
179.14325	100.0
186.68518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	3.6
54.56102	1.5
55.01869	3.7
55.05519	23.4
57.03447	10.6
57.07064	5.1
59.05002	3.2
66.07183	1.2
67.05510	54.9
69.03432	6.2
69.07076	39.0
69.81128	4.4
71.04999	8.8
74.49266	1.4
79.05080	1.8
79.05503	27.2
81.03402	3.8
81.07064	62.5
83.04993	8.4
83.08601	4.7
85.06559	2.1
91.05486	15.2
93.07058	21.0
95.04974	15.2
95.08617	100.0
97.06480	1.6
105.06399	2.0
105.07047	23.7
107.08605	27.8
109.06524	16.7
109.10171	40.8
111.08067	6.1
117.07024	1.7
119.04914	1.8
119.08587	22.4
121.10147	11.0
123.08077	30.1
123.11707	3.3
131.08656	1.9
133.06522	2.0
133.10144	10.9
135.11703	5.2
137.09644	19.4
137.13271	3.1
147.04405	4.6
149.13266	2.2
151.11165	2.2
151.14807	13.8
161.06052	1.8
161.13272	20.6
171.03603	1.3
179.03413	5.8
179.06432	2.4
179.08569	1.5
179.14323	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.29311	1.0
53.03943	2.7
53.17426	1.2
55.01848	2.2
55.05516	16.7
56.96549	1.1
57.03425	4.6
57.07064	4.1
65.03942	2.6
67.05508	98.3
69.03433	7.5
69.07072	15.6
69.43944	7.4
71.04990	5.3
79.05497	19.7
81.03418	2.7
81.07058	63.6
83.04971	3.0
83.08637	2.7
85.10149	1.3
91.05485	12.8
93.07046	23.4
93.56927	1.1
95.04978	19.5
95.08612	100.0
97.06531	1.7
105.07034	17.2
107.04942	1.4
107.08595	12.3
109.06503	8.7
109.10159	58.7
111.08096	2.3
117.07035	1.9
119.04961	2.7
119.08591	17.2
121.10152	4.2
123.04468	1.4
123.08069	13.1
123.11742	1.3
133.06473	2.3
133.10088	7.8
135.11697	6.5
136.08820	1.5
137.09608	16.8
137.13206	2.3
147.04454	5.1
151.14828	9.8
161.05986	2.6
161.13263	10.2
163.03810	1.5
179.03366	6.8
179.06653	5.2
179.08432	1.8
179.10706	1.3
179.14316	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	179.0341
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.03947	0.8
55.01873	2.0
55.05513	1.5
57.03442	0.4
59.04988	0.6
60.88437	0.2
62.94987	0.2
63.02394	0.2
64.95896	0.2
65.03936	0.6
67.05515	3.3
68.99780	0.3
69.03442	1.7
69.07060	0.9
70.06601	0.3
71.51736	0.4
73.02922	0.2
73.14882	0.2
76.02222	0.3
77.03934	0.8
79.05499	3.8
81.03420	2.8
81.07059	6.2
83.04986	8.1
84.08141	0.8
85.02903	0.8
86.09703	0.5
89.03932	1.7
91.05487	5.1
93.07053	4.1
95.01305	0.3
95.04974	13.1
95.08600	2.0
97.02846	0.2
97.06526	0.6
103.05463	0.7
105.03384	3.0
105.04510	0.3
105.07032	6.8
106.06544	0.2
107.04961	1.2
107.08613	1.8
109.02895	0.6
109.06522	44.7
109.10157	2.2
111.04419	0.4
111.08116	0.2
112.01053	0.2
115.05457	0.5
117.03381	0.8
117.07036	0.6
119.04961	2.4
119.08588	3.8
121.06505	6.9
121.10126	0.7
122.07304	1.2
123.04434	32.1
123.08029	1.3
123.11721	0.9
128.06209	0.6
129.10239	0.4
131.08565	0.9
133.02861	21.8
133.06477	2.2
133.10141	10.4
134.05995	0.3
135.04428	3.9
135.08057	3.8
135.11658	0.3
136.05203	0.4
137.06001	1.4
137.09615	8.7
141.05510	0.4
143.08569	1.4
146.03650	0.2
146.07271	1.4
147.04413	3.8
151.03917	7.4
151.07579	0.5
151.09422	0.4
151.09863	0.3
151.11191	5.1
161.02332	0.5
161.06003	2.2
161.09618	8.9
161.13284	0.4
163.07494	0.3
164.08331	0.3
179.03403	100.0
179.06779	3.1
179.10666	27.3
179.14162	0.7
180.03734	1.0
180.06529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.93881	0.5
53.03950	1.6
55.01877	2.9
55.05508	2.3
57.03440	0.8
59.04999	1.5
59.05910	0.5
65.03933	0.9
67.05504	6.9
69.03442	3.8
69.07072	1.2
71.31469	0.6
71.31835	0.6
76.02230	0.8
77.03931	0.9
77.42352	0.5
79.05495	6.8
81.03418	5.5
81.07058	13.4
83.04986	15.5
85.02908	1.3
89.03918	1.5
91.05493	7.2
93.07050	7.8
95.04971	22.5
95.05576	1.1
95.08608	3.0
97.06548	0.9
100.90058	0.6
103.05455	0.7
105.03406	3.5
105.07042	9.3
107.04945	1.6
107.08619	2.6
109.06521	91.5
109.10175	4.8
110.06831	0.8
115.05442	0.9
117.03419	0.8
117.07009	0.7
119.04955	3.2
119.08587	5.8
121.06509	15.6
121.10165	1.3
122.07292	1.6
123.04431	38.7
123.08054	1.7
123.11697	1.6
124.03868	0.5
128.06230	1.2
131.08551	1.4
133.02858	24.7
133.06479	2.0
133.10138	19.7
133.10930	0.4
135.04430	4.0
135.08061	7.3
137.06018	1.5
137.09630	17.7
141.05467	0.9
143.08569	1.9
146.07292	3.5
147.04417	3.4
151.03935	7.3
151.07486	0.9
151.11194	10.1
161.05991	1.8
161.09630	17.6
161.13306	0.5
162.09128	0.6
164.08380	0.7
165.67482	0.6
179.03403	100.0
179.10681	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	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01860	3.3
55.05502	1.8
57.07076	0.8
59.05012	1.5
65.03930	1.1
67.05502	6.3
69.03421	2.8
69.07034	1.3
70.16183	2.2
70.16597	2.0
76.02194	0.7
77.03963	0.8
77.34779	0.8
79.05507	6.4
81.03424	5.9
81.07061	13.6
83.04986	17.9
85.02907	1.5
89.03912	1.3
91.05486	7.8
93.07048	8.1
95.04971	22.1
95.08601	3.5
100.08772	0.8
103.05469	1.6
105.03390	2.4
105.07033	11.5
107.04943	1.4
107.08602	3.3
109.06519	100.0
109.10165	5.9
110.06882	0.9
115.05464	1.3
117.07050	0.9
118.25846	1.0
119.04935	4.3
119.08595	6.8
121.06502	17.6
122.07278	1.3
123.04424	16.6
123.08066	1.3
123.11649	1.0
125.09714	0.9
126.36928	1.0
127.17345	0.8
128.06158	1.3
133.02870	6.6
133.06464	2.9
133.09125	1.3
133.10133	19.2
135.04385	2.1
135.08061	7.4
136.08650	1.1
137.05984	2.3
137.09622	18.5
143.08580	2.4
146.07274	3.7
147.04401	4.0
151.03880	1.5
151.11198	10.3
161.06009	1.7
161.09619	18.5
161.13322	0.8
179.03407	30.4
179.06993	2.4
179.10677	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.69203	1.2
53.03929	1.3
55.05515	6.7
57.07079	1.6
67.05508	8.8
69.03415	1.9
69.07072	43.8
71.52448	2.2
79.05491	15.5
81.07063	14.6
83.08625	14.5
88.02200	1.5
89.03922	5.1
91.05482	11.6
93.07047	39.1
95.04979	1.1
95.08614	55.3
97.10120	1.5
98.98470	15.3
103.05482	2.7
103.72404	1.4
105.07024	8.6
107.04968	8.6
107.08600	54.0
109.06554	1.2
109.10175	17.4
112.74169	1.1
117.03406	7.4
117.07022	5.3
118.12439	1.4
119.08580	5.2
121.06498	4.3
121.10152	95.2
131.01895	1.4
131.04921	3.7
131.08601	6.6
133.06464	2.1
133.10120	3.2
134.03645	1.7
135.08040	3.1
135.11705	15.7
145.02820	11.7
146.07239	2.7
149.02339	6.7
149.05977	6.3
149.13248	9.2
159.08084	3.7
159.11723	7.1
161.41679	1.2
177.05431	13.0
177.09113	12.1
177.12872	13.0
177.16394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
59.18839	0.3
61.91290	0.3
66.03724	0.3
70.66341	0.6
80.05006	0.6
90.55081	0.3
91.05488	0.8
105.07032	0.4
107.08583	0.5
117.07028	0.9
118.06554	6.2
119.07332	6.9
119.99158	0.3
132.08109	0.6
134.09660	52.7
135.10017	0.5
153.22806	0.3
160.11249	1.1
162.09149	1.6
163.09920	1.0
178.12280	100.0
178.56480	0.3
179.12666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03937	2.4
55.01875	3.4
55.05506	4.2
56.96550	0.9
57.03434	2.0
65.03932	1.0
67.05507	21.5
69.03426	1.8
69.07073	5.8
69.25977	6.0
70.40460	0.6
71.04977	1.1
77.03908	1.3
78.04752	0.8
79.05495	30.9
79.07260	0.6
81.03412	2.0
81.07058	36.7
83.04990	6.5
83.08625	3.9
85.06544	1.1
89.03918	7.3
91.05482	38.8
92.05829	0.9
93.07047	45.3
95.04963	6.1
95.08611	13.0
97.06538	9.7
98.98466	5.9
99.08073	2.5
100.52945	0.7
103.05454	2.1
105.04539	0.7
105.07036	23.9
106.04184	1.9
107.04947	2.5
107.07880	1.3
107.08598	21.6
109.06527	5.2
109.10155	2.4
111.08075	1.5
112.03721	0.8
115.05422	2.3
116.06248	0.8
117.03396	11.9
117.07020	32.9
119.08585	9.5
121.02894	0.7
121.06499	3.8
121.10155	19.2
122.07211	0.8
129.07001	1.7
131.04910	1.1
131.08571	37.7
133.10135	53.7
134.03625	2.5
135.04382	1.3
135.08080	6.3
135.11694	15.8
137.09619	2.8
144.09355	2.0
145.02843	19.1
149.02341	2.5
149.05991	7.4
149.09642	4.5
149.12077	0.8
149.13258	15.0
157.10141	1.5
159.08051	1.5
159.11697	67.3
161.09659	1.4
162.03133	0.7
177.05466	14.0
177.09204	8.6
177.12752	100.0
177.16220	8.3
178.13115	1.3
178.15759	1.0
186.05426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	2.1
55.01868	3.7
55.05283	0.6
55.05515	6.0
55.16756	0.6
57.03446	3.4
59.04979	0.9
65.03912	1.6
67.05504	21.3
69.03417	1.9
69.07069	6.4
71.04995	1.0
71.52667	1.1
79.05025	1.1
79.05495	27.6
81.03407	3.0
81.07058	34.3
83.04987	4.0
83.08611	3.9
85.06539	1.0
88.02222	0.8
89.03915	3.3
91.04905	1.6
91.05479	31.2
93.07047	48.3
95.04968	8.2
95.08613	12.4
97.06534	5.7
97.56136	0.8
98.98475	8.6
99.08086	0.9
103.05471	2.0
105.07034	18.5
106.04159	1.1
107.04976	5.0
107.08597	23.5
109.06508	4.6
109.10141	2.9
111.08076	3.3
115.05452	1.4
117.03383	6.6
117.06240	1.4
117.07021	20.9
119.08590	7.1
121.06531	5.6
121.10143	17.1
129.06958	1.3
131.04926	1.7
131.08569	26.7
133.10132	32.4
134.03627	1.2
134.07220	0.8
134.93526	0.8
135.08067	8.9
135.11684	10.6
144.09352	2.0
145.02849	8.6
146.07268	1.3
149.02330	3.1
149.06020	4.4
149.09663	5.7
149.13268	13.8
157.10132	0.9
159.08043	2.3
159.11700	45.0
162.03139	1.9
177.05470	12.3
177.09175	8.1
177.12750	100.0
177.16182	6.8
178.13057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03938	1.7
55.01870	1.5
55.05491	3.3
56.96560	1.3
57.03430	3.8
57.07056	1.7
59.04984	1.1
65.03917	1.3
67.05514	6.2
69.03417	2.7
69.07056	4.1
69.35925	6.7
71.04973	3.9
79.05496	9.4
81.07056	10.1
83.04977	1.8
83.08617	1.7
88.02208	1.4
89.03902	3.7
91.05484	18.7
93.07041	20.9
93.07623	1.2
95.04966	3.8
95.08611	7.6
97.06517	2.6
98.98471	11.9
99.93567	1.0
103.05453	2.5
105.07028	19.7
107.04913	2.3
107.08591	23.0
109.06501	3.2
109.10158	1.1
113.55698	1.0
115.05434	2.4
116.06194	1.9
117.03407	6.6
117.07037	15.0
119.08579	48.0
121.02858	1.4
121.06483	3.8
121.10148	11.0
128.06226	2.0
129.07010	11.1
130.07762	2.4
131.04893	2.2
131.06941	1.1
131.08562	27.1
133.06454	3.1
133.10110	8.0
134.03639	0.9
135.04390	1.0
135.08076	5.9
135.11688	35.6
137.06075	1.2
143.08542	1.6
144.09346	26.5
145.02847	8.7
146.07262	2.2
149.02325	7.5
149.05974	4.2
149.09660	4.7
149.13257	4.3
157.10117	3.0
159.04361	1.1
159.08139	4.8
159.11691	100.0
160.12086	1.7
177.05472	11.5
177.06815	0.9
177.09088	10.4
177.12738	65.6
177.16216	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.15361	0.6
53.03959	1.2
55.01876	0.9
55.05513	3.1
59.05001	0.6
59.48656	0.5
59.57668	0.6
63.02366	1.0
65.03957	0.7
67.05511	5.5
69.03448	0.8
69.07077	4.4
70.64676	1.2
74.17258	0.6
74.39870	0.6
77.03939	1.1
78.04709	2.3
79.05497	7.1
81.03404	0.8
81.07053	8.3
81.24242	0.6
83.04989	1.0
83.08619	2.8
89.03922	37.2
91.05486	10.9
93.07047	14.5
95.04969	2.5
95.08619	9.5
95.37422	0.5
97.06532	1.2
98.98471	8.1
103.05460	3.2
105.04547	0.5
105.07045	6.2
106.04156	4.6
107.04953	1.2
107.08601	11.4
109.06496	1.2
109.10152	2.3
110.00900	0.6
115.05421	0.8
116.06232	0.6
117.03387	66.5
117.07015	5.2
118.03689	0.7
119.04926	1.0
119.08607	3.7
121.02886	1.1
121.06518	4.4
121.09328	1.2
121.10152	14.2
122.36177	0.5
124.05231	0.6
129.06961	1.1
131.04919	2.2
131.08574	8.8
133.06561	0.8
133.10124	6.9
134.03641	7.6
135.04417	5.3
135.08064	2.8
135.11746	5.0
137.09605	0.8
145.02850	100.0
146.03186	1.2
146.07269	1.1
149.02399	3.1
149.05983	27.7
149.09618	2.6
149.13293	3.2
158.06017	1.1
159.04420	0.9
159.08038	4.2
159.11717	8.7
160.83900	0.6
162.03096	2.6
163.03957	2.8
164.71605	0.6
177.05475	47.3
177.09052	9.3
177.10461	0.9
177.12756	17.3
177.14697	1.3
177.16342	9.6
186.05489	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.39389	0.5
52.06574	0.5
55.05514	5.7
57.07073	0.9
61.74977	0.5
67.05517	2.6
69.07072	20.7
70.06593	0.6
70.91026	1.7
79.05495	2.2
81.07053	5.4
83.08624	3.8
91.04878	0.8
91.05479	7.8
93.07067	2.8
95.04964	0.8
95.08605	4.6
97.02895	1.2
98.98463	2.7
103.69762	0.5
105.07032	20.9
107.08616	5.0
115.05467	2.7
115.78653	0.5
117.07013	2.7
118.07793	0.8
119.08586	76.0
121.10161	1.8
129.07027	2.0
131.08553	4.0
131.94958	0.5
133.10133	55.6
145.10110	4.6
146.11002	0.6
147.08061	0.9
147.11682	8.9
157.10126	1.5
158.11012	0.6
159.11584	0.6
160.05240	3.4
160.12537	3.1
166.46846	0.6
173.13326	2.8
175.03871	0.7
175.07565	5.8
175.11404	4.4
175.14830	100.0
176.15141	1.1
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
53.03958	0.8
55.01874	0.7
55.05516	6.1
57.07084	0.7
60.05644	0.8
65.03945	0.4
67.05512	2.7
68.28252	0.4
69.03442	1.1
69.07072	18.3
70.06593	0.7
70.86441	1.3
79.05498	2.7
81.07052	6.7
83.08624	3.7
86.09712	2.3
87.10035	4.2
91.05490	8.7
93.07048	3.9
95.08610	5.9
97.02882	0.9
98.03229	0.6
98.98465	5.8
105.07034	22.5
107.08613	5.1
115.05427	3.4
117.07011	3.1
119.08588	72.7
120.08859	0.7
121.10151	2.4
127.03953	0.5
128.26128	0.5
129.06961	2.3
129.11090	1.7
130.06601	0.5
131.08582	6.0
132.05733	0.5
132.09308	0.5
133.10133	59.9
134.10539	0.7
142.07726	0.7
143.04959	1.1
144.05661	0.5
145.10120	5.7
147.08000	0.8
147.09196	0.6
147.11697	10.2
157.10107	1.7
160.05174	4.8
160.08826	0.6
160.12518	2.7
173.13216	2.2
175.07539	6.0
175.11354	5.9
175.14827	100.0
176.07082	0.5
176.15140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93110	1.0
69.51782	1.7
69.52189	4.4
70.06590	1.1
78.71585	1.0
87.04456	2.9
98.06046	4.9
112.17739	1.4
131.86465	1.2
132.02122	100.0
176.01112	24.5
186.09348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03978	0.8
56.05053	0.8
56.96572	19.5
57.03431	1.4
60.29646	0.8
61.02926	1.1
65.03938	1.1
65.37028	0.8
67.05491	0.7
69.03425	1.5
69.07076	1.7
69.81939	4.1
70.06598	3.8
70.98121	1.8
71.04999	1.2
71.06927	1.2
71.95250	1.3
73.02923	2.4
73.06543	1.2
74.54187	1.0
79.05535	0.9
81.03388	0.9
84.08146	2.5
85.02900	2.3
87.04465	2.4
89.00783	3.3
91.05495	4.1
91.60488	0.8
95.05026	1.1
96.01545	1.7
97.02887	1.3
98.01296	7.0
98.06060	2.8
98.20849	1.1
98.97593	100.0
101.00810	1.0
104.01264	1.1
105.02032	1.1
106.01058	0.8
107.01802	3.6
107.04972	2.3
107.07373	1.3
109.00482	1.8
110.01263	2.8
110.07869	16.6
110.97573	1.9
112.99138	1.2
115.05469	1.6
116.06292	0.9
116.97292	1.7
116.98632	32.0
116.99464	1.8
118.01025	5.3
118.06566	2.5
119.01812	4.7
119.04965	0.9
119.07351	9.0
120.02564	1.0
120.08138	1.6
121.06443	0.9
123.52589	0.9
125.01817	1.3
126.05508	1.3
127.01545	18.5
128.02336	8.1
128.97803	1.7
128.98618	2.5
129.07083	0.9
130.06572	0.9
131.00177	1.7
131.01903	0.9
131.04930	6.0
131.08583	9.8
132.02133	7.5
134.03688	0.9
134.06039	6.1
134.99680	8.8
135.06812	42.9
136.02054	6.1
136.07552	3.1
137.02863	3.2
138.02594	0.9
140.00224	2.7
141.07002	1.2
144.05663	2.3
146.06026	1.4
146.99689	1.4
147.06795	3.3
147.07991	1.1
148.07616	2.3
154.57101	1.0
155.04718	1.2
158.01263	1.2
158.99683	3.5
159.08046	6.6
162.05325	4.6
168.48047	0.9
169.61621	0.9
171.05884	1.2
175.55949	1.5
176.01048	1.4
176.04890	1.4
176.10721	26.5
176.12306	1.4
177.00742	5.5
183.73653	0.9
194.49701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05513	8.5
57.07069	0.7
57.14897	0.7
59.98384	0.6
60.05624	0.7
67.05502	4.2
69.07071	12.2
70.06584	1.2
70.23583	2.6
72.08148	0.7
77.03905	0.9
79.05491	4.0
81.03403	0.9
81.07055	15.3
83.05019	0.8
83.08614	2.8
85.02916	1.6
87.10030	0.8
91.05489	16.8
93.07034	5.4
95.04990	0.9
95.08611	10.2
97.02883	2.0
98.97865	1.1
98.98470	11.5
103.05485	1.3
105.07037	46.7
106.07363	0.8
107.08603	7.0
109.10146	1.2
115.03964	1.3
115.05457	10.3
117.07006	5.2
119.08586	76.4
120.08898	1.0
121.10131	1.8
127.03941	1.0
128.06258	0.7
129.06999	4.8
130.06554	1.5
131.04947	1.0
131.08575	8.1
132.04425	0.7
132.05721	1.4
132.95816	0.7
133.06514	0.8
133.10133	50.0
134.06004	0.8
142.07840	1.1
143.04932	3.0
144.05655	1.7
145.10126	3.7
146.10915	2.9
147.08058	2.7
147.11702	18.0
155.06042	0.9
157.07687	1.0
157.10086	3.3
158.06046	1.0
160.05212	12.6
160.08847	1.2
160.12457	1.7
165.33743	0.7
173.13286	2.3
175.03986	1.1
175.06119	1.0
175.07542	21.1
175.11232	8.8
175.14835	100.0
176.07072	0.9
176.15117	1.0
185.86133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05515	5.3
57.07061	1.2
59.00960	0.5
67.05494	1.2
69.07071	17.6
71.10705	1.2
79.05483	1.7
81.07053	3.3
83.04912	0.5
83.08617	4.0
87.50409	0.6
88.27556	0.5
89.03169	0.5
91.05482	6.4
93.07043	2.6
95.08604	3.6
105.07042	17.7
107.08596	3.0
115.05515	0.8
117.07018	2.2
119.08588	68.9
121.10128	1.7
121.45366	0.6
131.08568	2.8
133.10136	57.3
134.10464	0.6
135.11679	1.1
145.10129	5.0
147.11693	7.5
158.10890	0.8
159.11739	0.5
160.12480	3.7
171.99797	0.6
173.13263	2.4
175.14828	100.0
176.15172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03934	0.4
55.05512	3.6
57.07080	0.4
60.87619	0.2
67.05495	1.5
69.07072	9.7
70.06577	0.3
70.37021	0.9
70.37408	0.5
77.03915	0.3
79.05481	1.4
81.07059	4.2
83.08606	1.7
86.92061	0.3
91.05482	6.2
93.07065	2.2
95.08600	2.3
97.02929	0.4
98.98467	3.7
103.05456	0.9
105.07034	18.1
105.87310	0.3
107.08611	3.3
115.04003	0.3
115.05470	2.0
117.07022	3.1
118.07766	0.3
119.08584	51.2
121.10120	1.5
129.07013	1.0
130.06586	0.4
130.27354	0.3
131.08565	3.4
132.09328	0.6
133.10133	51.1
134.10808	1.0
135.11702	0.4
142.07788	1.2
143.04910	0.7
144.09372	1.1
145.06364	0.3
145.10118	8.7
146.10883	0.8
147.11690	22.0
148.12044	0.3
157.04236	0.5
157.10130	1.2
159.11682	4.2
160.01208	0.3
160.05203	2.0
160.08823	0.4
160.11237	0.5
160.12488	6.9
161.13219	0.9
172.01682	0.3
173.13257	1.5
175.07516	3.4
175.11270	2.4
175.14824	100.0
176.15221	2.1
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
52.02762	0.7
53.03951	1.1
55.01865	1.8
55.05317	0.6
55.05516	6.8
55.48397	0.7
57.03406	1.0
57.07079	1.0
62.22085	0.6
67.05504	3.9
69.03432	1.4
69.07071	21.1
70.06573	2.9
72.08163	1.8
79.05502	3.7
81.03414	1.9
81.07066	7.5
83.04921	0.9
83.08638	4.1
84.08116	0.8
85.02895	1.8
91.05486	16.0
93.07058	5.0
95.04967	1.5
95.08624	5.5
97.02891	3.6
98.03677	1.3
98.98481	17.9
103.05464	1.2
104.06236	1.0
105.07039	29.1
107.04970	1.7
107.08591	6.8
111.04454	2.1
115.03933	1.4
115.05466	15.2
116.07091	1.1
117.07032	6.8
119.04916	1.4
119.08588	82.5
121.06487	1.2
121.10138	2.6
127.03939	1.5
128.06242	1.9
129.07011	7.0
130.06534	2.8
131.04947	0.9
131.08556	5.2
132.05734	2.1
132.09366	0.7
132.95865	2.4
133.06499	2.0
133.10139	67.4
139.03931	1.0
142.07803	2.7
143.04933	3.4
144.05733	3.7
145.10143	6.0
146.10927	1.1
147.04420	1.9
147.08054	3.1
147.11699	13.3
155.07686	0.8
157.10129	5.5
159.11615	1.5
160.05208	19.3
160.08585	1.2
160.12498	2.6
173.13297	2.2
175.03996	1.5
175.06134	1.4
175.07532	28.7
175.11205	17.0
175.14833	100.0
176.07095	2.1
176.15138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01868	2.9
55.05494	3.3
56.96553	5.6
57.03443	100.0
59.04969	1.5
61.02909	1.4
67.05500	3.5
69.03416	4.1
69.07053	3.9
69.72032	5.9
70.06589	5.8
79.05490	4.5
81.07050	3.7
83.05010	2.0
85.02904	4.7
87.04433	2.2
91.05486	18.6
93.07029	3.4
95.04943	1.9
95.08588	4.3
97.02914	7.1
98.21427	2.3
98.98476	78.9
103.05504	1.4
105.03396	2.1
105.07046	16.5
107.08600	2.4
111.04472	3.7
115.03950	4.3
115.05463	35.0
116.06212	2.8
116.99503	1.7
117.07037	11.8
119.08595	63.5
125.02344	1.9
127.03940	4.3
129.07008	6.5
131.08545	4.8
132.05748	2.6
133.06496	2.1
133.10130	23.7
139.03929	2.8
142.07796	3.5
143.04872	11.0
144.05672	5.2
147.04375	1.9
147.08047	6.4
147.11674	8.2
151.93938	2.4
152.05960	2.3
157.10100	5.3
160.03941	2.6
160.05215	37.3
170.44467	1.5
175.06165	2.6
175.07539	65.9
175.11171	46.5
175.12924	2.5
175.13246	2.9
175.14801	26.7
176.11639	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
54.09803	1.2
55.01859	3.0
55.05502	5.8
56.96559	2.0
57.03443	23.4
59.04986	2.0
60.05644	2.0
61.02906	1.9
67.05501	14.6
69.03416	6.0
69.07054	4.7
70.06569	3.1
70.89973	1.4
72.08134	1.5
78.62500	1.2
79.05507	7.1
81.07067	7.3
83.05000	1.5
83.08605	1.6
85.02898	3.8
87.04469	3.4
89.64601	1.4
91.05488	29.9
92.90082	2.3
93.07037	5.8
95.04968	11.8
95.08591	5.2
97.02896	9.0
98.03654	2.5
98.98476	50.3
103.05469	2.3
105.03400	1.9
105.07041	40.0
107.04939	6.6
107.08569	4.8
111.04469	3.1
115.03961	3.0
115.05455	31.4
116.06281	2.6
116.07054	1.9
117.07008	11.6
119.04929	2.1
119.08588	79.5
120.87103	1.2
121.06495	3.5
122.57866	1.3
124.94843	1.3
125.02330	2.0
127.03930	3.4
128.06256	2.2
129.07001	11.0
129.52719	1.2
131.04922	3.1
131.08563	6.9
132.05708	5.6
133.06494	28.6
133.10139	34.7
133.92683	2.2
135.08034	1.5
139.03889	3.0
142.07755	9.3
143.03316	1.5
143.04926	10.6
144.05705	5.0
145.06538	9.2
145.10103	2.8
146.07274	23.7
146.10948	1.4
147.04411	2.3
147.08054	60.1
147.11687	23.9
151.93826	3.8
157.06403	1.5
157.07596	1.9
157.10139	12.4
160.03949	2.5
160.05203	35.6
160.08844	7.2
175.03970	1.8
175.06148	3.4
175.07553	63.1
175.11186	100.0
175.14783	35.4
176.14328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0868
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
53.03952	0.6
55.01873	1.5
55.05510	1.8
56.96564	2.0
57.03432	1.1
58.02965	0.8
58.68772	0.4
59.05000	0.7
60.05657	3.0
61.02925	0.9
67.05505	0.9
69.03433	2.7
69.07069	1.5
69.15317	0.5
69.91695	1.0
69.92085	0.9
70.06599	10.6
70.95862	1.6
71.04998	0.7
71.06881	0.5
71.95892	0.8
72.08151	1.8
72.93777	0.9
75.04520	0.5
75.83405	0.4
81.07053	0.9
82.02951	2.6
82.06582	0.6
83.04995	1.5
84.08138	2.1
85.02895	2.4
86.09695	1.3
87.04457	1.8
88.96902	0.6
90.94825	1.3
91.05485	4.5
92.90043	2.6
93.07066	0.9
94.06572	4.3
95.04982	0.8
95.08622	0.8
96.02023	0.5
97.02905	6.2
98.03690	1.2
98.06049	1.0
98.97544	1.0
98.98473	22.6
103.05487	2.0
104.04996	1.9
105.03437	0.5
105.07036	1.9
107.04955	0.6
111.04446	3.0
111.98483	0.4
112.98737	0.9
115.03943	1.8
115.05463	6.3
115.07639	0.5
116.07108	2.3
116.07799	0.5
116.97203	1.5
116.98622	1.3
116.99452	0.6
117.05790	0.9
117.07041	1.1
118.06589	2.7
119.01815	0.5
119.04958	1.3
119.06886	1.8
119.08599	4.9
120.95921	0.4
125.02322	1.3
127.03958	2.6
128.04970	0.4
128.06227	0.5
128.62450	0.4
129.05380	2.3
129.07024	1.4
130.06534	100.0
131.04930	0.6
131.06029	0.5
131.06926	1.0
131.08513	0.7
132.04460	60.2
132.06758	1.6
132.95830	2.9
133.04779	0.7
133.06450	0.6
133.10129	3.3
133.92816	1.1
133.96048	1.4
139.03922	1.9
140.04922	0.6
143.04907	1.1
144.05800	0.7
146.06055	2.6
147.04504	3.2
147.06372	7.9
147.08098	1.0
147.09192	0.6
147.11705	1.7
150.96851	2.5
151.93797	3.3
151.97093	1.9
152.96939	1.0
156.06837	1.7
156.97726	1.2
157.01347	0.7
157.04988	0.7
157.07623	39.0
158.06023	76.8
159.06325	0.7
160.05197	6.1
174.98804	0.9
175.04309	1.3
175.05882	8.6
175.07512	6.3
175.08691	27.4
175.11241	3.8
175.13387	0.9
175.14734	3.9
176.07101	2.3
176.09100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90145	0.2
55.01891	0.4
55.05509	0.7
56.96562	0.4
57.07061	0.3
57.55614	0.3
58.06601	0.2
60.04527	0.9
60.15387	0.2
63.40054	0.2
67.05478	0.3
69.07072	1.4
69.51559	0.2
70.06580	0.5
70.93718	0.3
70.95866	0.8
71.51495	0.4
72.08160	0.5
72.93796	0.9
80.59943	0.3
81.07055	0.8
82.06557	0.6
84.04490	0.3
85.02906	0.4
86.06074	0.4
86.09708	100.0
86.75046	0.3
87.10020	0.5
90.94822	0.3
91.05467	1.3
93.07044	0.4
96.04511	0.6
97.02905	1.0
97.13341	0.3
98.98445	0.7
105.07037	1.1
111.04506	0.4
111.98494	0.9
114.05549	0.8
115.03963	0.4
115.05472	0.5
118.06596	0.7
119.08602	2.1
128.05000	0.5
128.07076	0.5
128.10719	14.9
129.07039	0.3
131.04903	0.3
131.08598	0.7
132.08081	0.9
132.09093	0.7
132.10207	18.5
132.95860	1.8
133.10138	1.9
143.08588	0.4
144.08893	1.1
146.06013	2.1
146.10460	0.7
147.11737	0.4
150.96875	1.2
155.97452	0.6
158.09630	0.3
159.04521	0.7
159.08064	2.7
159.11307	0.9
160.05197	0.9
173.09708	0.4
173.98555	0.7
174.05502	1.6
174.07854	1.4
174.09056	0.5
174.10387	2.1
174.12755	1.8
174.13713	1.6
175.07590	1.2
175.11194	1.1
175.14841	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11081	1.5
53.03938	2.8
55.01846	2.4
55.05515	45.9
55.93516	4.3
56.96572	16.9
57.03434	5.3
57.06836	2.1
57.07078	28.1
59.05003	8.4
60.04542	2.0
67.05488	7.1
69.03415	6.9
69.07049	7.2
69.96167	2.3
70.06580	5.3
70.46132	3.7
70.46534	2.7
70.95863	8.6
71.04982	6.2
71.92998	2.3
72.07765	4.0
72.08160	81.5
72.93793	100.0
73.02901	5.0
75.04465	1.7
79.05479	4.3
81.03407	6.5
81.07050	7.0
83.04990	49.2
84.08130	6.7
85.02908	23.3
85.06087	2.6
85.06550	33.2
86.09689	7.4
87.04453	5.6
89.02396	3.9
89.10781	3.4
89.94035	4.3
90.90381	16.0
90.94831	93.6
91.05459	5.0
93.07056	2.0
95.04974	3.4
95.08589	2.1
97.02874	5.0
97.06512	2.7
98.97587	12.8
98.98506	1.8
99.04443	5.2
100.94386	1.9
100.99169	2.2
101.05390	3.4
101.06021	40.0
102.09177	4.5
103.03286	3.3
105.07098	2.5
107.95101	1.8
108.95889	16.3
109.02859	3.8
109.06506	6.1
110.01239	1.7
111.04448	69.7
111.98470	6.2
112.07627	3.7
112.99073	1.9
113.02348	3.4
113.06012	13.6
113.96403	18.7
114.09159	10.1
115.05410	2.1
115.07576	16.0
116.07092	3.0
116.98640	4.1
117.07045	4.2
119.01829	2.9
119.08636	2.5
127.07627	10.5
127.13129	2.9
128.07030	1.7
128.10759	3.0
128.67976	1.7
128.98642	3.8
129.05496	17.3
129.07016	1.8
129.99530	2.3
131.00145	1.7
131.08582	8.7
131.93002	10.0
131.96130	8.2
131.97435	8.0
132.95834	15.1
137.05960	5.7
140.35658	1.6
141.05516	2.6
143.08577	2.6
145.06461	4.4
145.10214	2.5
146.05997	2.2
149.94162	14.2
149.96100	42.6
149.97227	11.4
150.96910	18.8
154.97749	4.1
155.03394	2.8
155.07051	51.5
155.10622	2.6
155.97438	6.0
156.13849	98.5
157.14153	2.4
158.10916	5.6
158.99608	3.9
159.03262	5.0
161.04738	4.2
162.05489	2.8
167.97174	40.1
172.97600	2.2
172.98929	2.9
173.04543	3.3
173.05888	4.3
173.08128	84.8
173.13213	15.7
173.16463	26.8
173.98491	3.9
177.00716	3.7
177.04323	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	174.1127
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.05810	0.2
60.04524	1.2
67.05489	0.3
69.07073	8.8
69.66666	1.1
72.04518	0.7
86.09711	100.0
87.10049	0.8
91.05484	0.4
105.07060	0.5
119.08582	1.4
128.10722	28.3
129.11093	0.3
132.08093	0.3
132.10205	10.6
132.11188	0.5
132.15723	0.3
132.95821	0.3
133.10162	1.0
144.08969	0.3
146.06033	0.6
150.96815	0.3
153.44882	0.3
166.15930	0.2
174.05577	0.8
174.07629	0.3
174.13623	0.8
175.14790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03937	3.5
55.05514	21.5
56.96528	1.2
57.03444	0.9
57.07058	0.9
59.04992	3.6
60.04511	2.2
65.03941	2.5
67.05505	12.3
69.03432	1.3
69.07066	4.0
70.06595	4.5
70.95808	0.8
71.04976	3.3
71.41026	1.0
72.08138	2.6
72.93410	1.2
72.93789	18.4
73.02899	1.0
79.05499	8.0
81.03400	1.1
81.06605	1.1
81.07056	12.3
83.04979	19.7
84.04507	1.1
84.08154	2.5
85.02909	1.3
85.06533	3.1
86.09705	11.9
87.04432	1.0
87.05585	2.6
89.02389	2.3
89.94078	0.9
90.90379	3.4
90.94823	17.8
91.05485	31.1
93.07029	6.3
95.04971	2.6
95.08610	8.9
97.02887	1.0
97.06538	1.4
99.04451	2.0
101.06013	13.4
103.03292	2.0
103.05463	2.8
105.07030	27.7
107.08598	8.7
108.95850	3.3
109.06518	1.2
109.10164	2.5
111.03725	1.8
111.04443	27.6
113.06005	3.4
113.09652	0.9
113.96407	3.8
115.05440	5.8
116.06239	6.6
116.06970	1.2
117.07017	16.3
118.06537	3.6
119.08582	22.0
127.07574	4.0
128.04979	1.1
128.06216	6.0
128.10713	4.6
129.05544	6.2
129.07002	26.1
130.06514	2.7
130.07776	7.2
131.08568	67.6
131.97430	1.5
132.95796	1.9
133.10117	6.6
137.05962	1.4
137.09592	1.1
141.06956	1.0
142.07808	2.9
143.08557	42.8
144.09348	11.0
145.06476	3.0
145.07611	5.4
145.10129	34.3
146.05968	3.2
149.94064	2.6
149.96101	9.2
149.97174	1.4
151.91122	0.9
155.03529	1.5
155.07040	18.7
155.10603	1.1
155.97438	1.1
156.04530	0.9
156.09328	3.4
157.10129	2.8
158.07288	1.0
158.10913	41.1
167.97134	8.1
171.05518	1.3
171.11690	1.1
173.02390	0.9
173.05830	2.1
173.08238	28.8
173.09714	1.8
173.13261	100.0
173.98439	1.2
174.04073	0.9
174.05528	2.1
191.78807	0.9
193.10541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.76258	0.5
53.03933	1.0
55.05511	13.1
56.96543	0.8
57.03443	1.2
57.07063	2.5
59.05012	3.5
65.03934	1.4
67.05509	8.3
68.85602	0.6
69.03423	0.8
69.07071	4.0
69.44124	1.9
69.44552	2.8
70.06580	1.1
71.04995	6.4
71.08636	0.9
72.08148	2.4
72.93793	7.0
73.06545	0.9
73.42956	0.7
79.05509	3.9
81.07061	17.2
83.04986	11.8
83.08615	1.4
84.08125	0.8
84.26239	0.6
85.02911	1.1
85.06547	6.3
86.09708	3.2
87.04468	1.3
89.02397	1.0
89.94033	0.6
90.90400	1.6
90.94842	6.6
91.05480	12.7
93.07037	2.8
95.08611	15.1
98.98434	1.1
99.04449	1.2
99.08099	0.8
101.06023	9.2
103.03275	1.4
103.05479	1.2
105.07031	13.7
107.08607	0.8
109.10168	6.1
111.04442	18.2
113.06005	2.8
113.96422	0.7
115.05441	5.8
116.06234	3.4
116.07062	1.3
117.07015	10.2
118.06566	1.5
119.08585	12.9
127.03857	0.7
127.07545	2.4
128.05048	0.7
128.06198	2.2
128.10754	0.9
129.05524	4.2
129.07001	10.5
129.10210	0.7
130.06511	1.3
130.07773	3.7
131.08577	64.0
131.93005	0.9
133.10123	2.6
137.13216	1.0
142.07817	1.2
143.07677	0.7
143.08560	27.1
144.09341	9.9
145.06485	3.7
145.07620	2.9
145.10129	30.5
146.05978	1.4
149.94084	0.9
149.96095	2.7
155.07059	12.0
155.10651	1.2
155.14336	1.8
155.97533	0.7
156.09370	1.1
157.10164	1.0
158.10919	30.5
167.97176	1.8
171.11694	2.4
173.04607	1.2
173.05878	2.2
173.08250	19.4
173.09698	2.2
173.13264	100.0
174.05486	1.1
174.13654	0.9
184.22295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.90712	0.6
55.05514	4.6
57.07082	1.0
59.05012	1.1
65.03919	0.7
67.05517	3.4
71.52232	0.9
76.02237	0.8
79.05502	2.2
81.03413	0.6
81.07063	2.8
83.04994	5.6
87.04468	0.6
90.90393	0.8
91.05489	11.6
93.07059	1.9
95.08596	1.2
97.02900	0.5
100.11269	1.5
101.06026	3.2
103.03294	1.5
103.05479	0.7
105.07044	11.2
111.04459	6.4
113.05988	0.7
115.05471	2.0
116.06229	1.8
117.07038	9.8
118.06551	1.6
119.08589	10.6
127.07591	0.9
127.09467	0.6
128.06238	1.3
128.14319	0.7
129.05515	3.0
129.07018	8.2
130.06522	0.7
130.07791	3.3
131.08577	72.7
132.08948	0.5
133.10155	1.3
143.08574	15.4
143.09703	0.8
144.09355	6.8
145.06573	0.7
145.07632	2.1
145.10129	28.6
146.05997	0.6
146.10454	0.6
149.94035	1.1
155.07086	4.0
155.08202	0.7
156.09415	1.5
158.07294	1.5
158.10925	21.5
171.11737	1.6
173.04712	0.7
173.07065	1.7
173.08394	8.0
173.09938	3.6
173.13274	100.0
174.07504	0.7
174.12668	0.6
174.13826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	29.4
56.96562	1.5
57.03439	2.9
57.07076	2.7
57.08550	1.2
59.05003	8.5
61.84696	1.3
65.03928	1.5
67.05511	100.0
69.03421	2.0
69.07040	1.9
71.04981	5.3
71.51846	1.7
72.08147	1.3
72.93795	10.2
76.02209	2.9
79.05482	3.3
81.03403	2.8
81.07057	15.6
83.04993	22.9
83.08601	6.1
85.06523	4.9
85.23487	1.5
86.09713	2.3
87.04453	3.5
87.10915	1.3
89.02383	3.1
90.09169	1.3
90.90385	6.5
90.94843	9.5
91.05488	11.7
93.07040	3.9
95.04945	1.7
95.08589	5.5
99.04409	2.0
100.11243	2.2
101.05412	1.3
101.06031	16.8
103.03276	4.9
105.07031	7.2
106.20453	1.2
107.08565	1.4
108.95818	1.9
109.10168	77.0
111.03734	1.7
111.04457	31.4
111.08060	3.7
113.06017	3.9
113.96354	2.0
115.05421	5.5
117.07036	11.9
118.06555	4.3
119.08575	7.3
123.09145	1.2
127.07551	2.2
128.14304	2.1
129.05527	8.8
129.06979	4.3
130.06538	4.1
130.07788	3.3
131.06042	1.4
131.08582	42.0
131.92960	3.5
132.08058	1.9
133.57140	1.3
137.05945	2.2
137.09605	2.5
143.08536	4.9
144.09343	2.4
145.06441	5.5
145.07602	9.2
145.10130	18.0
146.06007	2.4
149.94061	7.0
149.96092	4.4
155.03397	2.3
155.05977	2.1
155.07062	22.1
158.07278	2.5
158.10918	9.1
167.97141	3.8
173.02362	7.5
173.04660	1.8
173.05872	5.5
173.08188	40.2
173.09665	7.0
173.11736	8.5
173.13245	53.2
174.12781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03952	0.3
55.01873	0.5
55.05515	3.9
56.96563	0.4
57.03410	0.5
57.07082	1.1
59.05000	0.6
59.70878	0.3
63.70539	0.3
65.03941	0.4
67.05513	2.1
71.04983	0.7
71.08632	0.8
71.51926	0.3
72.93806	1.1
74.06097	0.3
76.02251	0.4
79.05495	1.4
81.03394	0.3
81.07072	2.1
83.04986	3.6
85.06518	0.3
87.04469	0.6
88.07634	1.2
89.07981	0.8
90.90392	2.5
90.94842	0.9
91.05488	7.2
93.07079	0.5
95.08607	0.5
99.08124	0.6
100.11240	0.5
101.06030	2.7
102.09160	0.6
103.03309	0.9
103.05502	0.6
103.09515	0.5
105.07037	8.6
111.04446	4.5
113.06023	0.3
114.05518	0.4
115.05457	1.9
116.06252	1.7
116.06921	0.3
117.07027	5.9
117.09212	0.3
118.06548	0.5
119.08599	8.0
127.07558	0.6
128.06189	1.4
128.14314	0.4
129.05550	1.4
129.07011	6.8
130.06522	0.8
130.07811	2.6
131.08574	64.9
131.93007	0.8
132.08884	0.5
133.10127	1.7
141.07027	0.5
142.07758	0.5
143.08572	15.5
144.09351	6.2
145.06483	0.9
145.07652	0.9
145.10133	20.4
146.10500	0.5
149.93996	1.5
149.96133	0.5
155.05962	0.5
155.07069	2.5
155.08466	0.5
156.09395	1.4
157.10185	1.3
158.07397	1.6
158.10921	28.7
159.11661	1.3
167.97205	0.8
171.11650	1.8
173.04568	0.6
173.08237	5.6
173.09683	5.3
173.13271	100.0
173.17305	8.6
174.05544	0.3
174.07782	0.5
174.13799	1.3
179.20216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1382
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03945	1.3
55.01876	2.0
55.05519	19.3
56.50348	0.6
57.03435	2.1
57.07087	6.8
59.05017	4.8
60.55309	0.6
67.05511	5.5
68.99783	1.2
69.03441	2.4
69.07076	100.0
69.24374	0.7
71.05002	1.9
71.08643	3.6
72.04525	9.6
73.06567	2.7
79.05503	3.3
81.07065	14.6
83.04982	3.5
83.08627	14.5
85.02923	0.7
85.06552	0.9
89.07162	8.1
91.05508	2.3
93.07051	14.5
95.05006	0.8
95.08618	14.7
95.09181	1.0
97.06552	10.0
97.10154	0.8
98.97576	0.7
99.08129	0.9
100.11250	0.6
107.08604	13.4
109.10171	9.6
111.04491	2.1
111.08079	5.9
111.11732	25.4
115.05526	0.7
115.07585	1.4
119.01856	1.2
125.06026	0.8
125.09700	1.0
125.13284	1.3
128.06245	2.1
129.07030	1.5
129.12802	2.4
135.11710	15.8
139.00287	1.4
139.03947	1.2
140.13960	0.6
141.06940	0.7
143.08580	3.0
153.09151	1.2
153.12753	17.4
156.09369	4.1
171.02998	0.6
171.04367	0.7
171.05643	2.1
171.06902	0.8
171.08228	1.7
171.10231	1.0
171.11705	7.3
171.13687	1.0
171.14980	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
50.82194	1.3
53.03951	3.7
55.01883	7.1
55.05518	19.8
57.03443	11.5
57.07069	3.1
59.05002	6.3
65.03941	2.7
67.05184	2.0
67.05514	28.8
68.99795	3.3
69.03439	2.8
69.07077	20.9
71.05008	9.3
71.51447	1.8
72.04522	17.1
72.08192	1.5
73.02909	2.2
73.06553	1.5
77.03905	1.8
79.05492	16.7
81.06593	2.1
81.07064	32.5
83.04986	6.5
83.08637	15.1
85.02899	6.4
85.06553	3.1
86.09713	27.6
89.07171	13.6
89.19467	1.5
91.05491	13.6
93.07054	79.7
95.05003	1.9
95.08618	63.1
97.06543	29.6
97.10151	1.5
99.04488	1.4
105.03392	10.2
105.07024	8.2
107.08607	100.0
109.06553	2.9
109.10169	70.5
111.04472	4.1
111.08106	7.0
113.09657	2.5
115.05450	3.0
119.06098	1.6
119.08595	2.9
123.11716	27.7
125.02399	1.4
125.09640	3.6
127.11197	4.8
128.06218	13.0
129.07004	6.6
135.11707	73.3
139.00262	6.3
139.03944	2.4
141.07002	7.4
142.07819	3.6
143.08586	18.4
143.11815	5.4
153.07047	3.6
153.09082	2.8
153.12767	21.4
156.09369	37.9
160.12158	1.4
171.03003	2.3
171.05531	8.4
171.07961	14.1
171.11691	35.6
171.13652	2.3
171.14952	15.6
187.51541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44260	1.7
53.03953	1.9
55.05511	36.6
56.44452	1.8
56.96545	3.0
57.03432	5.1
57.07074	3.7
59.05000	12.4
64.99625	1.6
65.03940	2.4
66.67388	1.7
67.05507	100.0
67.31630	1.9
69.03444	2.7
69.07056	3.0
70.06553	2.2
71.04978	1.9
71.52396	2.0
72.93798	9.4
76.02219	4.2
79.05486	3.9
81.07054	15.8
83.04987	25.6
83.08598	9.0
85.06544	5.2
87.04462	3.0
89.02397	2.7
90.90376	6.6
90.94836	12.7
91.05475	11.5
93.07032	4.2
95.08620	4.9
99.04426	2.9
100.11253	4.9
101.06023	19.0
103.03294	6.0
105.07021	6.4
107.08611	2.9
108.95884	2.4
109.06510	1.9
109.10164	80.5
111.04452	41.5
111.08113	2.5
113.06002	6.6
113.96384	2.5
115.05441	6.9
117.07010	13.3
118.06547	7.1
119.08580	8.0
127.03886	1.9
127.07568	5.7
128.43829	1.8
129.05490	11.5
129.07021	5.1
130.06525	6.5
130.07802	2.7
131.06148	1.9
131.08569	29.4
131.93018	2.7
137.05954	2.7
143.08585	8.1
144.09364	2.5
145.06496	5.7
145.07626	12.9
145.10136	20.3
146.06033	4.0
149.94058	11.3
149.96117	4.6
153.48061	1.8
155.03395	2.2
155.05960	3.0
155.07060	27.5
155.10696	3.4
158.07291	3.7
158.10896	16.1
167.97206	3.0
173.02386	9.8
173.04698	2.4
173.05887	5.7
173.08214	52.1
173.09705	8.2
173.11755	9.4
173.13220	55.3
174.12817	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	171.1382
Annotation	(3S,4S,6R)-p-Menth-1-ene-3,6-diol
Peak:m/z	Relative Intensity
55.01868	4.3
55.05274	3.0
55.05513	38.3
56.62326	1.5
56.96563	2.5
57.03429	6.4
57.07060	3.0
59.04991	3.9
67.05509	11.3
69.03413	3.6
69.07072	25.8
71.04984	6.1
71.08634	100.0
71.52199	2.1
72.04520	25.0
73.06530	2.7
73.19811	1.6
79.05489	6.7
81.05273	1.6
81.07059	12.5
81.20734	1.4
83.04984	47.7
83.08621	15.8
83.46324	1.4
85.02895	4.6
85.06557	2.0
86.09677	2.5
89.07160	25.9
91.05465	3.9
93.07050	16.5
95.08612	33.1
97.06527	12.8
97.10188	2.7
99.08100	90.5
101.99591	1.6
105.06989	2.2
107.08593	16.5
109.06530	1.7
109.10157	20.9
111.00851	1.9
111.04453	5.9
111.08083	5.5
112.81133	1.7
115.05441	1.7
119.01829	2.0
123.11733	3.3
125.05999	4.6
125.09634	2.7
126.09132	1.9
127.11214	2.8
128.02292	2.0
128.06223	10.8
129.06998	5.2
135.11700	17.5
139.00270	6.8
139.03931	2.3
139.53142	1.8
141.06950	3.9
142.07790	2.4
143.06084	3.9
143.08582	13.8
153.07155	2.3
153.09143	2.2
153.12738	15.1
156.09366	18.8
157.01328	3.9
167.73570	1.6
171.02977	3.6
171.04367	1.8
171.05455	10.3
171.08102	7.9
171.10164	2.5
171.11671	24.5
171.13864	2.2
171.14984	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	171.1382
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03945	1.4
53.85126	0.7
55.01880	3.4
55.05273	1.1
55.05518	17.9
56.05819	0.7
57.03442	66.0
57.07067	3.0
57.45369	0.7
59.04996	2.0
62.36125	0.7
65.03930	1.3
67.05509	66.5
69.03426	1.4
69.07073	17.6
70.26099	0.6
70.94272	0.6
71.04998	7.4
71.10232	1.2
71.66959	0.7
72.04156	0.7
72.04504	4.2
73.05597	0.7
73.06548	4.9
75.05611	1.2
79.05496	3.6
81.07063	20.5
81.25631	0.6
83.04989	3.0
83.08623	29.6
83.38734	0.7
85.06548	6.6
86.09716	10.4
89.07167	4.3
91.05492	0.8
93.07047	5.1
95.08604	4.6
97.06540	7.5
97.10189	0.8
99.08104	1.1
105.07018	1.4
107.08611	7.1
109.10164	100.0
110.10538	1.0
111.08091	2.9
113.09612	1.1
119.08667	0.7
125.09629	0.9
127.11200	44.2
128.06238	2.3
129.07018	2.4
135.04446	0.7
135.11702	2.0
139.00307	1.0
141.07024	3.1
142.07809	1.5
143.08559	7.8
143.11806	1.7
153.12743	6.3
155.08513	1.1
156.08089	1.5
156.09363	22.5
156.10605	1.4
171.05515	2.1
171.10255	0.8
171.11690	20.5
171.13802	1.8
171.14963	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	171.0654
Annotation	2-Hydroxy-6-oxo-octa-2,4-dienoate
Peak:m/z	Relative Intensity
53.03938	3.2
54.91206	0.9
55.01871	6.3
55.05518	9.4
56.96585	4.2
57.03424	2.0
57.07067	1.0
64.43685	0.9
65.03939	7.4
65.97462	0.7
67.05506	4.8
68.99796	7.7
69.03423	2.7
69.07072	9.7
70.06567	1.6
70.94250	3.0
70.99805	0.9
71.04991	1.6
71.42499	1.3
72.04517	8.7
72.08172	5.5
79.05499	58.0
81.03411	2.2
81.07059	53.8
83.01353	0.9
83.04988	16.4
83.08598	3.7
85.02885	2.6
86.09719	11.7
88.95296	1.4
89.07168	6.5
90.02435	1.1
91.05490	1.1
93.03396	2.7
93.07041	1.1
95.01645	4.1
95.04974	2.6
97.06534	53.2
98.97570	1.9
99.02951	1.0
101.00838	2.8
104.02161	1.6
107.04959	7.3
107.08582	3.4
109.06519	29.8
109.10199	1.0
110.01260	1.0
110.97553	1.5
111.03725	1.6
111.04448	27.6
111.08080	1.7
114.04015	0.8
114.96178	0.9
116.02159	6.1
118.01907	3.0
119.01907	4.1
121.04008	2.1
125.02692	6.9
125.06000	100.0
125.07901	2.5
125.09609	1.7
126.09163	1.2
127.02366	0.9
127.07534	2.3
128.02289	1.3
133.03392	0.9
133.48640	0.7
135.04390	1.3
135.06340	1.6
136.53485	0.9
138.54128	2.6
139.00281	6.5
139.02409	2.3
139.03908	27.5
143.08617	0.8
143.11797	3.0
147.54652	3.2
147.96461	1.1
148.02910	1.8
149.02985	1.5
153.05478	36.7
153.07423	2.1
153.09111	1.3
154.12268	3.9
156.09341	1.2
157.01282	3.2
161.02826	0.9
171.02878	2.2
171.06667	5.6
171.07956	1.6
171.10025	1.7
171.11972	0.8
171.14957	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01675	1.2
55.01880	14.1
55.05514	40.7
56.96544	1.3
57.03440	66.9
57.07071	3.6
59.04991	2.5
60.18220	1.3
61.29447	1.2
65.03924	3.2
67.05509	72.8
67.21344	1.2
68.39775	1.4
69.03427	3.8
69.07075	32.1
69.85932	5.2
70.06586	2.2
71.04995	13.4
72.04523	12.8
72.08150	2.5
72.93789	1.5
76.44354	1.4
79.05500	35.2
79.05966	1.7
81.03416	2.2
81.07062	25.6
83.04990	13.5
83.08627	46.8
85.02909	3.7
85.06545	15.5
87.04480	3.4
89.07161	12.2
91.05483	6.2
93.03410	1.9
93.07043	13.4
94.21424	1.3
95.04981	2.9
95.08624	5.3
96.71351	1.5
97.02886	4.4
97.06519	9.6
97.10152	2.7
99.04459	10.8
99.08111	1.9
101.06057	1.9
105.07051	3.4
106.01775	1.6
107.04963	13.2
107.08597	41.1
109.06500	3.3
109.10159	100.0
111.04458	8.6
111.08096	9.3
115.05476	3.0
117.07037	11.7
119.06076	1.5
125.06009	3.3
125.09622	11.3
127.11203	38.2
128.06218	3.4
129.07043	3.4
135.08054	18.7
135.11707	3.0
139.00241	2.2
141.07014	3.0
142.07755	1.7
143.08549	8.2
153.05440	2.2
153.09142	11.2
153.12779	7.5
156.09355	16.8
171.02939	2.4
171.05423	7.4
171.07951	1.4
171.10251	3.2
171.11722	17.4
171.13718	2.6
171.14963	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	169.1225
Annotation	Crocusatin C
Peak:m/z	Relative Intensity
53.54954	1.2
55.01878	9.0
55.05498	7.6
57.03433	2.5
57.07069	10.8
59.05011	1.9
65.03935	4.5
67.05506	25.0
69.03431	8.4
69.07073	13.1
69.73571	4.3
69.73985	3.7
71.04995	11.0
72.08142	4.2
75.05782	3.1
78.28250	1.2
79.05482	5.2
81.03419	3.1
81.07053	24.0
82.06595	2.6
83.04987	3.7
83.08624	6.7
84.08129	1.2
85.02937	2.0
85.06556	11.8
85.10158	1.4
91.05471	3.1
93.03390	3.1
93.07056	7.7
95.04975	7.8
95.08604	19.5
96.08125	9.6
97.06517	3.0
99.04470	2.2
99.08073	1.6
105.07038	4.9
107.08594	10.1
109.02882	6.0
109.06521	9.7
109.10161	83.8
111.00804	6.5
111.04446	4.8
111.08083	100.0
113.06022	2.1
115.05456	2.9
123.04424	3.5
123.08062	8.1
123.11711	13.3
124.04649	2.2
124.07610	1.3
125.05978	2.0
125.09622	8.5
126.03180	7.1
127.03954	1.9
127.11197	96.0
133.10158	4.3
139.11194	1.8
141.05467	29.1
141.06964	6.0
151.03970	1.8
151.07544	5.5
151.11197	11.6
154.07809	2.1
169.05159	16.5
169.06448	6.5
169.07587	21.2
169.10077	2.5
169.10719	2.1
169.12238	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1589
Annotation	(E)-2-Undecenal
Peak:m/z	Relative Intensity
50.48159	0.5
53.03950	1.2
55.05515	9.8
57.03438	2.0
57.07081	8.5
60.35495	0.4
65.03936	1.5
67.05510	40.4
69.03440	0.7
69.07077	19.0
70.01945	1.3
71.04998	26.1
71.08639	2.9
73.06562	0.6
79.05502	4.0
81.03439	0.9
81.07063	46.1
83.08631	10.4
85.02919	1.0
85.06551	37.0
85.10186	5.5
91.05486	1.5
93.07064	3.9
95.04974	1.3
95.08616	100.0
96.08970	0.8
97.10194	1.1
98.20829	0.6
99.04417	1.0
99.08101	6.9
102.03394	0.7
105.07040	1.0
107.08604	1.4
109.02855	1.2
109.06561	0.8
109.10165	28.0
111.00825	1.7
111.04447	1.6
111.08059	0.7
113.06007	0.5
113.09661	3.5
119.08589	0.7
123.04453	1.2
123.08089	1.3
123.11729	4.8
124.07624	0.5
125.05937	0.7
125.13305	1.5
126.03138	2.6
127.11259	0.6
137.09645	0.6
141.05479	9.8
141.06647	0.7
141.07056	0.7
142.17351	0.5
146.46922	0.4
151.03918	0.8
151.11226	0.7
151.14862	4.6
154.07857	0.5
158.33907	0.5
169.04993	5.5
169.07596	1.4
169.10167	1.7
169.12312	0.9
169.15895	19.8
170.09619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03938	2.5
53.66755	0.9
55.01881	4.1
55.05514	12.4
56.96569	1.0
57.03446	7.1
57.07077	6.6
65.03948	6.8
67.05510	80.7
69.03429	4.1
69.07070	13.6
71.05000	100.0
71.51165	1.2
79.05498	25.1
81.03410	2.7
81.07064	66.1
83.05002	8.6
83.08628	1.9
85.02901	1.4
85.06551	86.1
87.04476	1.4
87.09225	0.8
91.05489	33.6
93.03394	2.2
93.07052	16.3
95.04988	7.5
95.08622	15.5
97.02877	1.2
97.06529	10.1
99.04453	3.3
99.08123	1.5
105.07040	36.6
107.08604	35.2
109.02892	6.3
109.06527	14.4
109.10168	47.9
111.00827	5.9
111.04432	6.1
111.08088	6.1
113.06007	3.8
121.10178	1.7
123.04430	2.6
123.08063	9.0
123.10835	1.3
123.11720	21.1
124.07616	1.2
125.06011	1.8
125.09622	4.5
126.03150	8.7
127.03900	1.1
127.07546	2.2
128.95166	0.9
131.08585	2.1
133.10143	48.2
134.10471	1.3
136.96367	1.0
139.11205	2.3
141.05479	29.0
141.07033	2.0
141.09126	1.1
143.16281	0.9
146.04163	1.0
151.03893	2.8
151.07541	2.7
151.11188	31.7
152.07050	1.1
154.02632	0.9
169.05031	16.5
169.07616	27.4
169.08890	1.7
169.10002	1.8
169.12245	14.7
170.08157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
50.59467	1.2
53.03940	3.1
55.01883	12.3
55.05517	12.7
56.96543	2.2
57.03452	7.3
57.07086	9.8
65.03934	5.2
67.05509	85.5
68.99770	2.0
69.03416	3.9
69.07069	11.5
71.04996	73.8
71.52069	1.6
71.52441	1.9
79.05494	24.0
79.66239	1.4
81.03433	7.1
81.07060	69.9
83.04999	10.1
83.08607	2.0
85.02898	2.3
85.06550	100.0
86.58736	1.4
91.05489	37.0
93.03395	2.7
93.07040	19.4
95.04953	6.5
95.08610	26.4
97.06531	9.9
99.04449	5.7
102.03376	1.4
105.07037	44.8
107.07874	2.7
107.08600	45.8
109.02882	15.6
109.06526	12.0
109.10167	64.7
110.10542	1.5
111.00826	11.7
111.04441	5.0
111.08097	10.9
113.06026	2.5
121.10154	1.7
123.04416	4.5
123.08083	11.7
123.11697	20.1
124.04663	1.7
125.05994	1.6
125.09644	5.5
126.03148	20.7
127.03880	2.6
127.07573	1.4
127.11197	2.2
133.09125	2.4
133.10141	60.9
141.05472	66.0
141.06970	4.1
142.08650	1.4
142.75151	1.6
146.04190	1.8
148.10335	1.4
151.03893	3.0
151.07550	3.0
151.11191	46.7
158.19325	1.4
169.05006	29.7
169.06514	1.9
169.07562	24.8
169.10037	4.6
169.12230	19.8
170.08214	1.6
170.09605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03934	1.8
55.01868	15.4
55.05512	13.0
56.96565	3.6
57.03429	5.3
57.07072	17.4
59.04993	5.2
65.03954	9.2
66.99763	1.4
67.05508	44.3
68.17625	1.5
68.79540	1.3
69.03090	2.7
69.03435	39.1
69.07067	21.0
71.04996	28.6
71.51408	2.1
75.44421	1.9
79.05501	12.9
81.03435	7.8
81.07060	74.1
83.04973	16.2
83.08620	8.8
84.08152	2.0
85.02894	6.8
85.06546	92.8
86.85775	1.4
91.05474	8.1
93.03412	6.0
93.07042	13.1
95.04968	18.8
95.08612	31.4
97.06516	6.9
99.04449	7.4
99.08099	4.5
105.07036	12.2
107.08591	16.8
109.02895	8.6
109.06524	31.3
109.10161	73.6
111.00822	8.0
111.04442	10.2
111.08087	28.2
113.06012	20.4
115.05450	2.6
121.10141	21.5
123.04416	5.8
123.08073	19.7
123.11709	74.9
125.05959	4.6
125.09624	6.8
126.03136	11.9
127.03933	4.0
127.07548	2.0
127.11194	2.2
133.10150	10.7
136.08783	1.8
139.11179	24.7
141.05473	45.6
141.06633	2.8
141.07022	2.0
151.03885	2.2
151.07521	6.8
151.11180	33.2
154.02573	1.9
169.04997	27.1
169.07582	44.7
169.10002	3.9
169.12245	100.0
170.08119	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	168.1749
Annotation	Cermizine C
Peak:m/z	Relative Intensity
53.03937	0.3
55.01871	0.5
55.05509	1.2
56.05019	0.4
56.96568	0.6
57.02364	0.2
58.06597	0.5
65.03920	0.5
67.05512	2.5
67.92508	0.7
67.93542	0.3
68.05016	0.2
69.03442	1.1
69.07067	1.8
70.06589	0.8
71.08537	0.5
79.05489	0.7
80.05020	0.4
80.05812	0.6
81.03416	0.8
81.07053	2.6
82.06583	0.5
82.94843	1.6
83.04999	0.3
83.08613	0.4
84.04489	0.3
84.08142	0.6
85.06513	0.2
85.94615	0.4
86.06071	0.3
87.04461	0.3
93.03413	0.3
93.07034	0.4
94.02973	0.2
94.06578	1.4
94.07097	0.2
94.07376	0.2
95.04975	0.5
95.08607	2.7
96.04494	0.4
96.08086	0.3
98.06050	0.4
98.09698	5.1
98.97556	0.2
99.04478	0.4
100.95885	0.2
105.06987	0.2
106.06611	0.2
108.04532	0.4
108.05233	0.2
108.08161	0.2
108.08901	0.3
109.02885	1.3
109.06529	0.3
109.10159	1.0
110.06114	0.2
111.00785	0.3
111.04440	0.6
111.08073	0.6
112.07578	0.4
116.98618	0.2
117.93565	0.2
120.08070	0.3
121.01736	0.2
121.99398	0.2
122.06059	2.0
122.06871	0.2
122.09678	0.4
122.10492	0.4
123.04465	0.4
123.08078	0.3
123.97463	1.0
124.03944	0.2
124.07581	0.3
126.03105	0.3
126.05518	0.8
126.06625	1.0
126.12828	0.3
126.93781	0.6
127.03912	0.5
140.07048	1.1
140.07959	0.6
140.10713	0.3
140.95140	0.2
141.05478	1.4
144.94814	0.7
145.00967	0.4
150.02707	0.6
150.05487	4.0
150.09166	0.8
151.03876	0.3
151.06158	0.6
151.07384	0.3
158.99663	0.2
162.95813	1.3
163.01990	0.4
163.08168	0.3
166.49255	0.2
167.96342	0.2
168.06436	2.5
168.10184	1.9
168.17482	100.0
169.04967	0.8
169.17825	1.5
184.18318	0.2
185.97449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
51.61297	0.4
53.03947	0.9
55.01876	100.0
55.05517	2.6
56.02210	0.5
56.96563	0.4
57.07081	0.4
65.03949	1.9
67.05512	13.1
69.03432	1.0
69.07073	32.6
69.49892	2.5
71.05005	2.5
79.05499	9.1
81.03435	1.9
81.07064	9.8
83.05001	0.6
83.08663	0.4
85.02921	0.6
85.06525	1.8
91.05486	7.5
93.03413	0.8
93.07050	3.3
95.04994	2.0
95.08613	58.0
96.08139	0.5
97.06535	14.4
99.04452	2.2
103.05461	0.6
105.07040	12.6
107.04949	2.3
107.08605	14.3
109.02869	2.3
109.06525	15.4
109.10159	6.0
111.00800	1.6
111.04464	1.4
111.08088	2.2
119.06084	1.3
123.04451	1.0
123.08076	20.2
123.11729	2.4
124.04644	0.7
125.06016	0.7
125.09613	0.5
126.03141	2.8
127.03937	0.7
127.07560	1.3
127.11169	0.7
129.56609	0.3
132.02744	0.4
133.02837	0.5
133.06474	2.7
133.10149	1.6
135.63562	0.4
137.34761	0.3
141.05479	8.0
141.07002	1.2
151.03908	0.7
151.07555	9.7
151.10146	0.4
151.11165	1.9
169.05077	4.5
169.07535	3.9
169.08623	9.6
169.10130	1.2
169.12230	1.6
170.08113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	6.1
55.01868	4.8
55.05515	20.4
56.96570	18.4
57.03439	3.7
57.07079	1.6
59.05008	1.9
61.44573	1.3
65.03935	6.5
67.05180	2.4
67.05511	32.0
68.94090	1.4
69.03433	4.4
69.06727	2.5
69.07072	26.2
70.16393	5.3
71.01337	1.5
71.05002	22.4
73.06557	8.0
77.03918	2.7
78.04717	11.0
79.05494	40.3
81.03417	4.3
81.06590	2.4
81.07063	38.4
82.07365	1.3
83.04997	8.5
83.08632	16.8
84.96023	2.3
85.02866	1.4
85.06538	4.8
91.05481	13.8
93.03426	3.7
93.07047	52.2
94.04182	4.4
94.07378	1.6
95.04965	10.0
95.08611	59.1
96.05748	4.8
97.06538	13.1
97.10207	2.2
101.02549	2.0
105.03401	2.6
105.04503	3.3
105.07042	8.2
106.04183	3.4
107.04977	10.5
107.08601	41.8
108.05757	10.8
109.02896	3.8
109.06561	9.4
109.10148	14.6
110.03088	2.5
111.04486	4.2
111.08068	8.5
114.03353	4.6
119.08531	1.5
120.05185	1.8
121.01694	6.2
121.02865	3.4
121.04133	2.0
121.06521	11.2
121.08443	3.9
121.10156	35.4
122.03632	1.9
123.04483	17.7
123.08083	7.4
123.11717	7.0
124.05219	30.0
125.05978	6.0
125.09661	5.1
126.05245	1.5
130.04698	1.6
131.08575	4.7
135.04529	2.3
135.05667	17.1
135.06596	1.9
135.55838	3.0
139.07550	81.1
139.11171	3.2
144.03265	4.8
144.06212	18.7
144.56503	1.8
146.56491	6.2
149.02367	9.2
149.05988	3.8
149.09637	8.5
149.12207	3.0
149.13284	28.7
151.03946	2.7
152.04738	4.5
152.06207	1.8
153.06723	2.6
155.57019	2.3
162.04285	1.7
165.07101	1.6
167.03456	9.3
167.07063	100.0
167.08549	9.6
167.10677	17.0
167.14339	24.1
167.15515	5.8
171.03368	1.6
173.05019	1.3
184.79622	1.2
189.04330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01874	3.4
55.05506	1.7
56.96570	35.6
57.03238	1.2
57.03444	12.8
58.99851	2.6
60.07295	1.2
61.02934	9.4
67.05502	5.0
67.92516	2.1
68.98299	3.0
69.03430	6.7
69.54484	1.4
69.63190	1.3
70.06601	2.8
70.65886	3.0
70.66225	1.8
70.98113	5.6
71.01365	1.6
71.03029	1.5
71.04988	3.6
71.95269	1.7
73.02924	15.3
74.00284	1.3
74.06081	2.0
74.97618	2.5
75.01042	2.1
77.00869	1.8
81.01903	1.9
81.03420	5.0
81.07078	1.5
82.01450	7.3
82.94839	5.5
83.00786	3.1
83.04965	1.8
84.01579	9.3
84.96040	6.8
84.99620	1.4
85.01382	1.7
85.02920	12.1
86.03703	2.5
87.01060	1.7
88.02662	2.5
89.00807	2.8
91.05492	1.6
92.01305	1.4
93.01983	4.4
94.02667	3.0
94.06584	13.7
95.04964	2.3
95.06106	3.2
96.02444	1.7
97.01405	1.7
97.02904	12.5
97.99184	1.7
98.01318	4.7
98.97599	24.5
99.01084	1.6
99.04457	2.3
100.02482	14.9
100.99152	5.4
101.00884	10.2
101.01528	1.6
101.02543	1.7
102.00983	2.0
102.02388	6.2
103.00654	15.9
103.02419	4.5
103.03200	4.4
104.00966	4.2
105.02058	2.9
106.01005	2.3
106.02665	1.9
106.06551	4.2
107.01769	3.6
109.02921	2.8
110.01338	7.5
110.02043	2.2
110.97586	5.0
111.02063	4.8
111.02934	4.8
112.01066	1.8
112.99117	3.1
113.00887	17.4
113.02409	1.7
114.01057	1.5
114.04051	1.9
114.53967	2.2
115.02456	7.4
115.03136	1.7
115.03998	1.4
116.07093	3.8
116.98629	8.5
117.00255	3.8
117.02011	6.1
117.02902	2.4
118.01042	4.4
118.02811	2.4
118.03608	3.7
119.00226	1.7
119.01893	21.4
119.04954	1.5
120.02023	2.8
120.70091	1.4
121.01678	30.1
121.02353	1.5
122.01962	10.4
122.06038	10.5
123.02056	1.7
123.02955	3.4
123.04118	1.6
123.97472	3.8
124.02822	1.5
125.01860	1.5
126.00802	7.3
126.02346	1.9
126.93807	1.7
126.97059	9.3
126.98785	1.8
127.00712	2.1
127.01523	4.5
127.02472	7.6
127.03954	4.5
128.02261	3.5
128.98602	4.6
131.00261	7.8
131.01910	37.1
131.02838	2.2
132.05122	1.7
133.01665	1.8
133.03450	9.6
134.00505	4.1
135.03239	2.4
137.02840	2.2
138.03444	2.1
139.02716	4.7
140.03149	2.8
140.07057	1.9
142.03506	2.6
142.96616	2.0
143.01906	3.9
144.02121	2.3
144.03217	15.3
144.94856	3.0
144.98093	14.2
144.99857	4.2
145.01643	3.4
145.03542	40.1
145.51317	2.2
146.03546	2.2
146.99617	1.9
147.01390	1.6
147.03154	4.2
149.01215	11.9
149.02965	5.6
150.05521	100.0
151.05846	1.4
151.07564	4.1
152.07104	2.4
154.03513	11.2
154.04959	3.7
156.03580	3.2
157.03488	2.4
158.99786	1.9
161.03018	5.3
162.04355	2.9
162.95940	3.2
162.99147	11.8
163.02722	4.3
163.04665	7.8
167.02184	1.9
167.96336	1.5
168.01410	1.6
168.05109	6.2
168.06526	32.0
168.10246	1.8
173.01173	1.8
173.02940	3.4
175.04544	4.6
177.00775	1.9
185.03047	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03939	2.1
55.01859	2.3
55.05513	7.8
55.53480	0.9
57.03454	4.3
57.07076	1.5
59.05000	1.0
65.03916	1.9
67.05510	27.6
69.03424	6.5
69.07076	6.1
69.66380	0.8
70.90962	2.1
71.04978	2.3
77.03944	1.0
79.05495	27.2
81.03418	3.4
81.07060	71.6
82.39837	1.0
83.04975	6.6
83.08603	1.9
85.06541	3.3
91.04908	1.7
91.05486	34.6
93.07050	37.7
94.07310	0.8
95.04979	9.2
95.08611	21.9
95.09180	1.6
97.06546	6.9
101.00874	2.5
103.05452	1.2
105.07036	68.9
106.07317	1.0
107.08603	26.1
109.06521	14.4
109.10163	9.8
117.07016	1.7
119.01911	5.0
119.04944	7.1
119.08588	52.8
120.08110	1.8
121.06518	1.0
121.10151	61.5
123.04432	1.2
123.08098	7.4
123.11716	15.2
133.99992	0.8
137.03001	1.5
137.05965	1.3
137.09622	7.5
137.13254	3.7
142.03496	5.7
145.10095	1.3
147.04417	15.4
147.11697	100.0
148.12056	2.3
160.04559	1.3
165.05556	2.0
165.07411	2.4
165.09117	4.3
165.12761	82.2
166.13110	1.4
175.09145	0.8
175.81139	0.9
177.17705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.63984	0.4
54.27438	0.3
55.05514	4.2
58.96415	0.4
62.51289	0.4
65.03950	0.5
67.05510	3.2
67.15346	0.3
69.03433	0.7
69.07074	2.4
70.23125	1.3
70.23500	0.4
71.04994	0.7
79.05499	2.9
81.03419	1.4
81.07062	5.8
83.04989	1.1
83.08636	2.6
91.05488	3.3
93.07048	1.9
95.04971	100.0
95.08616	4.0
96.05313	0.9
101.00886	2.0
105.07035	3.9
107.04958	0.5
107.08601	9.5
109.06522	21.7
109.10161	3.1
119.01935	2.5
119.04939	3.3
119.08587	4.4
120.08115	0.3
121.06536	0.7
121.10153	2.0
121.80521	0.3
122.07302	0.8
123.04430	0.5
123.08082	1.2
123.11700	1.2
126.04121	0.4
137.02988	0.4
137.05968	0.7
137.09627	4.8
137.13243	1.0
142.03494	1.9
147.04414	5.5
147.11687	9.1
160.04596	0.5
165.05472	1.2
165.07397	1.3
165.09125	11.6
165.12759	67.6
166.13142	0.8
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
51.02369	0.1
60.17594	0.1
69.49310	0.8
77.03896	0.1
79.05499	1.0
80.05006	0.1
91.05447	0.6
92.05800	0.1
93.07046	2.0
95.05030	0.1
95.08601	0.1
98.21511	0.1
103.05470	8.1
107.04967	2.1
111.16228	0.1
120.08109	100.0
121.06512	0.3
121.08447	1.1
131.04926	2.8
131.05850	0.2
139.07558	0.2
142.50394	0.1
142.67680	0.1
143.03539	0.1
144.91968	0.1
145.01379	0.1
149.05988	0.8
166.05060	0.2
166.07230	0.1
166.08604	2.7
167.07031	0.3
168.42226	0.1
183.46722	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.82391	0.6
53.03951	5.0
55.01863	2.7
55.05516	5.5
55.45687	0.6
56.96552	0.7
57.03439	8.5
65.03932	1.7
67.05505	9.9
68.99792	1.4
69.03417	2.4
69.07050	1.4
70.53275	0.7
70.53609	1.0
71.05002	0.7
73.02901	1.5
77.03922	0.9
78.04710	4.8
79.05496	15.2
81.03410	2.0
81.06697	0.5
81.07072	4.8
83.04979	2.8
83.08623	1.2
85.06552	0.8
90.65462	0.6
91.05487	13.2
93.03429	0.8
93.07046	38.3
94.04187	0.8
95.04959	7.2
95.08614	6.2
97.06538	1.5
99.04404	0.8
103.00634	1.8
103.05460	1.9
105.04520	1.3
105.07007	1.5
106.04169	2.7
107.04961	3.4
107.08601	5.5
108.05715	1.0
109.02871	1.0
109.06512	3.6
109.10152	1.3
111.04463	1.2
111.08083	8.4
121.01741	3.8
121.02881	11.4
121.06509	14.4
121.08402	1.7
121.10144	6.2
122.03638	0.7
122.06806	0.8
123.04441	11.0
123.08110	3.5
123.11686	0.7
124.05226	4.9
125.05981	1.8
125.09569	1.1
126.06654	1.5
131.08551	0.9
134.03648	0.7
139.07542	39.4
139.11148	0.7
144.03246	2.8
149.02342	2.3
149.05997	8.4
149.09654	3.6
151.03911	2.4
151.06192	0.8
152.04662	3.0
167.03368	2.3
167.07043	100.0
167.10802	3.3
167.14276	0.9
168.07382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03945	2.0
53.97782	0.5
55.01865	1.8
55.05511	9.9
57.03444	0.7
57.07078	1.0
57.78433	0.5
59.05004	3.3
65.03916	1.2
67.05501	7.2
69.03423	2.3
69.07069	40.7
70.71071	1.1
70.71441	1.2
71.04985	0.5
79.05492	15.8
81.03432	0.8
81.07058	14.3
83.04974	3.0
83.08610	2.1
91.05476	10.4
93.07042	78.8
95.04967	2.6
95.08608	11.9
97.02908	1.0
97.06523	6.1
97.10159	1.7
98.21428	0.7
103.05465	1.3
105.04525	0.7
105.07033	18.2
106.07846	0.7
107.04935	0.7
107.08603	4.2
108.05766	1.0
109.06514	1.3
109.10161	1.4
111.08104	0.7
111.11714	8.7
119.08578	3.7
121.01645	0.7
121.06510	1.7
121.10143	100.0
122.10470	1.3
123.04424	1.5
123.08079	4.0
124.05201	1.5
125.09653	0.8
125.41309	0.5
133.07625	2.3
139.07536	5.1
139.11206	3.5
144.03314	0.8
149.02386	1.1
149.09619	14.9
149.13293	0.8
167.03409	0.9
167.07071	7.5
167.10677	46.9
171.91943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03933	5.8
55.01861	6.5
55.05515	11.1
57.03420	5.5
59.05005	1.4
65.03915	2.3
67.05511	39.0
69.03433	8.0
69.07073	8.7
71.05001	3.4
71.52104	1.6
79.05499	30.9
80.94947	1.7
81.03415	10.3
81.07063	84.1
83.04988	8.8
83.08618	1.9
85.06548	3.1
90.26938	1.6
91.05487	54.7
93.07048	49.1
95.04446	2.5
95.04980	22.4
95.08614	42.5
97.06544	7.2
101.00891	15.7
101.02578	1.9
103.05475	2.0
105.07037	83.6
107.04961	2.4
107.08602	40.1
109.06528	21.0
109.10171	20.0
117.07007	3.8
119.01927	39.2
119.03640	2.0
119.04960	35.6
119.08586	64.4
120.08086	4.7
121.06507	2.8
121.10158	66.8
123.04440	6.9
123.08080	13.4
123.11723	13.7
124.02445	4.1
124.05232	2.4
127.07591	1.7
129.07014	1.9
133.02847	4.0
133.06548	2.3
137.02972	8.2
137.05988	8.8
137.09625	18.3
137.13249	4.8
142.03510	34.5
145.10118	3.1
147.04417	74.6
147.08078	4.4
147.11696	95.4
160.04561	9.0
165.01826	2.5
165.05612	14.2
165.07350	8.7
165.09129	25.4
165.12772	100.0
166.08649	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03954	2.0
55.01870	1.5
55.05508	4.8
57.03442	2.2
57.07076	2.9
57.78969	0.6
59.05015	1.7
65.03955	2.1
67.05511	17.7
69.03434	3.2
69.07071	4.3
71.05019	0.8
71.40923	1.4
75.25159	0.6
77.03951	0.6
79.05502	7.9
81.03423	11.2
81.07062	16.7
81.07532	1.0
83.04984	2.5
83.08634	1.7
91.05489	39.8
93.07053	7.2
95.04977	32.3
95.08611	14.5
95.09184	1.2
97.06524	0.7
101.00886	4.4
103.05470	1.5
105.06388	1.3
105.07041	10.7
107.04944	1.6
107.08604	23.0
108.05710	0.6
109.06526	12.6
109.10156	8.6
115.96426	0.7
117.07043	1.8
119.01945	6.3
119.04951	60.6
119.08598	20.9
119.09471	0.9
120.04501	1.1
120.08112	2.7
121.06519	2.6
121.10149	5.0
123.04433	19.1
123.08086	14.9
123.11709	12.5
124.02488	0.8
129.07057	1.0
132.05728	2.0
133.02850	0.8
137.05954	1.7
137.08572	0.8
137.09627	16.9
137.12360	1.1
137.13283	2.2
142.03490	5.1
147.04422	100.0
147.08058	9.0
147.11728	5.2
160.04535	0.7
165.05496	6.0
165.07523	1.3
165.09102	7.7
165.12769	43.0
179.60794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02367	1.1
53.03945	2.4
53.20158	1.1
55.01859	3.5
55.05515	12.6
57.03437	7.7
57.07077	2.7
65.03926	1.7
67.05510	27.0
69.03432	7.3
69.07072	11.0
69.73953	2.3
69.74368	3.5
71.04973	3.2
76.20589	1.0
77.03933	2.0
79.05500	26.7
81.03419	8.9
81.07058	69.7
81.45416	1.0
83.04977	8.1
83.08606	3.3
85.06554	1.3
91.05481	35.4
91.42912	1.0
93.07044	24.8
95.04981	16.6
95.08610	34.7
96.08908	1.5
97.06528	6.2
98.20747	1.4
101.00890	5.9
101.02558	1.2
103.05438	1.4
105.07034	48.4
107.04942	1.7
107.08596	23.5
109.06521	23.0
109.10155	9.6
117.07082	1.4
119.01898	14.4
119.04949	15.3
119.08584	36.7
120.08136	2.1
121.06514	2.0
121.10144	29.9
123.04427	3.7
123.08073	57.5
123.11693	8.8
133.02885	1.2
137.02948	1.3
137.05981	3.8
137.07927	2.2
137.09618	12.4
137.13251	3.1
142.03526	14.4
145.10048	1.2
147.04419	36.2
147.08066	4.2
147.11694	57.0
160.04562	2.3
165.05557	7.9
165.07324	3.6
165.09120	10.2
165.12761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial
Peak:m/z	Relative Intensity
51.02375	0.5
52.22028	0.2
52.49192	0.2
53.03714	0.3
53.03950	3.8
55.01871	2.1
55.05512	1.7
56.23976	0.2
57.03434	0.5
65.03947	1.0
66.95083	0.3
67.05511	7.2
69.03434	0.8
69.07069	0.8
69.82861	1.6
71.04984	0.6
74.30972	0.3
75.78823	0.3
77.03954	0.4
79.05492	3.9
81.03422	100.0
81.07058	4.8
81.99850	0.2
82.03748	0.6
82.85342	0.2
82.99837	0.3
83.04974	1.7
85.02893	0.6
91.05485	15.3
93.07052	6.4
95.01357	0.3
95.04974	5.7
95.08614	3.4
97.02899	1.2
97.06548	0.4
101.00864	2.0
103.05479	1.2
105.04525	0.4
105.07035	2.7
107.04970	0.8
107.08594	3.1
109.02850	0.4
109.06543	2.0
109.10162	4.8
117.07025	0.7
119.01933	3.6
119.04949	11.5
119.05800	0.6
119.08591	9.7
120.08102	1.1
121.06514	9.3
121.07381	0.5
121.10097	0.3
123.04436	6.2
123.08076	4.0
124.02483	0.4
129.07002	0.8
133.02798	0.4
135.08035	0.3
137.02945	0.8
137.06009	1.0
137.09624	17.8
138.09950	0.3
142.03505	3.5
147.04417	21.4
147.08040	3.2
147.11679	1.3
148.04779	0.4
156.34122	0.3
160.04549	0.8
165.05507	2.0
165.07651	0.8
165.09114	20.0
165.12735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03949	0.9
55.01866	2.0
55.05512	5.9
57.03431	1.6
60.60138	0.4
65.03934	1.7
67.05511	41.1
69.03429	2.2
69.07074	3.3
71.04987	0.5
71.52465	0.6
79.05499	8.9
81.03420	3.1
81.07063	21.4
83.04980	2.2
85.06520	0.7
91.05488	14.7
93.07049	9.8
95.04977	13.2
95.08615	13.2
97.06537	1.6
101.00883	4.1
103.05517	0.5
105.07039	7.9
107.04999	1.0
107.08605	7.3
109.06528	5.3
109.10167	51.6
110.10476	0.9
111.04494	0.6
117.07068	1.2
119.01937	7.0
119.04935	6.4
119.08594	12.4
120.08135	1.1
121.06471	1.0
121.10173	4.1
123.04427	1.9
123.08051	2.5
123.11703	1.9
124.02477	0.6
127.07650	0.7
133.02913	0.8
137.02983	1.3
137.05991	1.8
137.09628	100.0
138.09976	1.5
142.03519	6.1
147.04422	13.6
147.08018	2.5
147.11696	7.7
160.04602	1.0
165.01875	0.5
165.05664	2.6
165.07568	1.3
165.09109	9.9
165.12767	15.5
166.04996	0.7
166.08669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03945	0.9
55.01869	1.8
55.05514	1.3
57.03421	0.6
67.05511	8.3
69.03429	3.1
70.55690	1.8
73.71783	0.6
77.03913	0.6
79.05491	3.2
81.03425	14.4
81.07071	3.2
83.04991	9.3
91.05492	11.7
93.07038	5.0
95.04958	5.7
95.08613	8.2
101.00900	3.4
102.42463	0.6
103.05450	1.1
105.07042	4.8
107.04959	1.6
107.08590	2.1
109.02876	3.1
109.06529	2.5
109.10164	11.1
109.10857	1.0
109.75543	0.5
115.19346	0.5
117.07046	1.6
119.01931	4.6
119.04955	7.5
119.08582	15.8
121.06502	4.9
122.07292	5.7
123.04440	3.2
123.08083	15.3
124.02451	0.6
129.06967	0.9
132.05774	0.6
135.08098	0.6
137.02939	0.7
137.09630	15.1
142.03505	5.3
147.04431	15.2
147.08049	9.3
147.11703	0.6
165.05428	1.9
165.09123	100.0
166.09503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
53.03950	4.3
55.01873	2.5
55.05513	3.0
56.96574	1.0
57.03443	1.6
57.07064	0.8
62.76617	0.5
65.03956	1.7
65.24578	0.6
67.05510	15.3
69.03432	2.1
69.07072	2.4
69.38354	3.3
69.38777	1.2
71.05013	0.6
78.38432	0.5
79.05506	8.3
81.03423	94.2
81.07061	11.4
83.04996	2.9
85.02916	0.7
85.06525	0.7
91.05488	39.7
93.07047	9.8
95.04375	1.4
95.04979	19.6
95.08611	10.4
96.33337	0.6
97.02896	1.5
97.06505	0.8
101.00887	6.8
101.02585	0.8
103.05457	3.7
105.03419	0.6
105.07042	7.4
107.04976	1.0
107.08599	7.9
109.02908	1.0
109.06535	6.1
109.10159	12.3
113.96419	0.7
115.96458	1.5
117.07042	1.7
119.01154	0.6
119.01937	14.8
119.04949	52.0
119.08588	18.1
119.09470	0.6
120.04501	0.7
120.08113	5.8
121.06514	10.4
121.10139	3.1
123.04434	20.4
123.08070	12.2
123.11728	1.4
124.02480	1.9
129.07031	0.9
137.03009	2.8
137.05995	2.9
137.09624	33.1
137.13217	1.4
142.03506	13.7
147.04419	100.0
147.08047	6.5
147.11696	3.8
148.04782	0.9
160.04523	3.2
165.01877	1.3
165.05515	5.9
165.07593	1.8
165.09116	24.1
165.10512	1.2
165.12758	8.5
166.89226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
52.03136	0.6
53.03941	1.9
55.01862	2.0
55.05503	1.8
64.46043	0.5
65.03958	0.6
67.05513	9.7
67.06780	0.5
69.03423	2.3
69.07068	1.3
71.31163	1.0
77.03946	0.6
79.05492	2.6
81.03426	13.1
81.07066	4.1
82.99847	0.7
83.04990	8.4
86.31237	0.5
91.05489	13.2
93.07053	5.6
95.04973	7.1
95.08617	10.5
98.97546	0.6
101.00887	4.4
103.05472	1.1
105.04496	0.7
105.07050	5.3
107.04943	1.6
107.08597	2.5
109.02905	2.5
109.06551	2.4
109.10168	12.1
117.07021	1.8
119.01931	8.3
119.04958	11.7
119.08591	16.2
120.08130	1.0
121.06539	4.0
122.07323	3.7
123.04453	4.9
123.08077	14.7
124.02454	1.3
129.07027	1.4
132.05728	1.1
135.07996	0.5
137.03008	1.7
137.06003	1.1
137.09628	16.5
137.92618	0.5
142.03519	7.2
147.03246	1.0
147.04422	19.7
147.08061	10.1
147.09077	0.3
147.11682	0.7
160.04565	1.7
165.05563	3.1
165.09128	100.0
166.09441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	2.3
57.03434	2.1
61.02911	1.4
69.80804	2.8
69.81200	1.4
70.99832	1.3
82.01461	2.8
82.99845	11.2
91.25642	1.1
92.69780	1.0
95.04969	2.4
97.02900	1.0
98.97599	1.4
100.02507	1.8
101.00889	75.6
101.02596	2.1
102.00961	1.4
111.32075	0.9
119.01927	90.7
120.02069	1.5
120.08096	1.4
123.04500	2.7
124.02455	17.7
137.02989	11.1
137.85828	1.0
142.03508	100.0
143.03722	3.0
159.82951	1.0
160.04575	14.6
165.05110	2.4
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
54.10744	0.6
56.96571	1.1
61.13975	0.6
69.45778	3.9
70.10916	0.5
74.10778	0.5
77.23440	0.4
80.30038	0.5
82.01447	1.4
82.99846	11.0
83.01569	0.8
98.21504	1.1
98.97591	0.6
100.02489	1.6
101.00886	66.0
102.00966	0.8
116.98654	0.5
118.57304	0.5
119.01927	85.7
120.02012	1.9
124.02458	20.0
129.23308	0.6
137.02969	11.4
142.03505	100.0
143.03653	1.6
160.03369	1.0
160.04572	12.5
165.05128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.70211	0.2
53.03941	0.8
55.01868	0.6
55.05514	0.9
57.03443	0.3
58.04085	0.2
65.03947	1.2
67.05505	3.1
69.03436	0.5
69.07065	0.4
69.45855	1.9
71.05006	0.3
71.91863	0.2
79.05494	2.1
81.03424	11.6
81.07060	1.9
82.99833	0.3
83.04977	0.5
86.54662	0.3
91.05488	54.4
92.05794	0.5
93.07046	2.0
95.04975	5.9
95.08618	1.6
96.07754	0.3
98.21561	0.5
101.00880	2.3
103.05481	1.3
104.71564	0.3
105.07039	1.9
105.35749	0.2
107.08609	1.6
109.06523	1.2
109.10166	2.3
117.07040	0.4
119.01974	3.8
119.04950	100.0
119.08576	4.1
120.04462	1.4
120.05282	1.1
120.08092	0.9
120.32866	0.2
121.06504	1.7
121.10183	0.6
123.04435	8.3
123.08067	1.2
123.11760	0.4
124.02471	0.4
129.07025	0.3
137.05980	0.8
137.09627	4.6
142.03505	3.7
147.04420	26.2
147.08049	1.2
147.11691	1.0
148.03889	0.4
160.04556	0.7
160.07495	0.5
165.05524	2.0
165.06850	0.3
165.07599	0.5
165.09087	3.6
165.12793	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	p-Coumaric acid
Peak:m/z	Relative Intensity
51.02392	0.3
53.03946	0.4
53.14751	0.2
63.94241	0.2
65.03938	1.6
66.49461	0.2
67.05517	0.9
69.75205	1.3
76.05671	0.2
79.05485	0.6
81.03426	2.1
81.07063	0.9
88.68356	0.2
91.05486	55.5
92.05820	0.7
93.07063	0.7
95.04978	1.8
95.08616	0.8
101.00885	0.9
103.05495	0.5
105.07037	0.9
107.08612	0.3
109.06502	0.5
109.10154	0.9
119.04948	100.0
119.08605	0.9
120.05286	0.9
120.08100	0.4
121.10165	0.5
123.04446	2.4
123.08055	0.8
137.09642	1.8
142.03494	1.0
147.04419	21.5
147.11626	0.3
150.22459	0.2
160.04512	0.3
160.07664	0.3
165.05486	1.0
165.07385	0.3
165.09152	1.1
165.12791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.81857	1.0
53.03951	6.4
55.01876	9.6
55.05517	8.0
56.96557	1.7
57.03434	2.9
57.07071	2.3
61.02925	2.7
65.03934	1.9
67.05508	16.0
69.03431	12.7
69.07073	8.6
69.88474	1.0
71.04971	2.4
77.03928	1.1
78.04666	1.1
79.05495	39.2
80.05021	1.0
81.03416	5.7
81.06602	1.2
81.07060	18.4
83.04970	2.7
84.08096	1.7
85.02907	5.3
89.03922	16.1
89.06049	1.8
91.05479	25.6
93.07045	51.1
95.04973	11.8
95.08598	13.3
101.09634	1.2
103.05458	16.7
105.03378	1.8
105.04536	2.4
105.07032	25.9
106.06504	1.2
107.04955	20.6
107.08595	51.3
109.06538	2.3
115.05453	3.9
116.06173	1.3
117.03391	16.5
117.05727	1.6
117.07026	28.4
118.06550	1.2
119.04936	2.0
119.08586	17.7
120.08113	1.0
121.06502	15.7
121.10134	17.6
122.07271	1.8
125.73840	1.0
128.06168	1.1
129.07030	2.3
130.06523	6.5
130.07788	7.6
131.04922	16.0
132.02077	2.4
132.08096	6.1
133.02878	4.9
133.06525	1.5
133.10121	2.5
135.04422	31.0
135.08051	9.2
135.11696	25.8
143.08577	2.8
145.02840	16.7
145.03879	1.7
145.06467	3.1
145.10129	46.2
148.08792	1.3
163.03911	100.0
163.07545	9.3
163.11169	80.1
163.14799	9.5
164.04207	1.6
164.07051	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	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01885	1.3
55.05514	21.9
57.07080	46.3
59.04992	1.4
59.27726	1.3
67.05485	1.8
69.03425	3.3
69.07070	2.0
69.30623	2.0
69.31019	8.1
72.08176	1.4
79.05495	9.0
81.03407	1.2
81.07066	6.4
82.71204	1.1
83.08608	6.6
85.02925	2.0
89.03904	3.9
89.06037	38.1
91.05479	6.9
93.07038	7.0
94.05503	1.0
95.04959	4.3
95.08582	1.3
98.20787	1.8
99.04440	1.5
101.09676	7.6
103.05475	81.6
104.05843	1.3
105.04535	1.9
105.07032	4.7
107.04950	7.2
107.07084	7.1
107.08614	9.1
115.05457	1.8
117.03374	4.9
117.07000	4.5
117.76582	1.1
118.90808	1.2
119.01871	1.5
119.04928	1.7
119.08575	3.3
121.06516	2.2
121.10141	6.9
130.06544	1.8
130.07770	1.4
131.04936	100.0
132.05249	2.1
132.08102	3.5
133.02852	5.0
134.05223	1.3
135.04430	13.9
135.08041	3.5
135.11699	4.6
136.07584	5.1
143.01903	4.4
145.02841	3.5
145.04045	1.3
145.06496	2.4
145.10153	5.1
150.60559	1.1
161.03000	3.5
163.03914	46.6
163.07539	32.0
163.11200	17.4
163.12358	2.8
163.14845	2.2
164.07063	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33274	0.9
80.76643	0.5
82.01451	1.1
82.99848	8.3
100.02472	1.2
101.00887	53.8
102.00940	0.8
107.19843	0.6
119.01927	80.3
120.02027	1.0
124.02454	16.9
137.02962	11.6
142.03510	100.0
143.03705	1.3
160.04575	16.1
165.05119	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.9
54.71913	0.6
55.01896	0.7
55.05508	4.0
60.08173	0.8
66.43440	0.7
67.05502	4.3
69.03432	1.1
69.07076	5.4
69.94300	3.6
77.57207	0.6
79.05506	7.5
81.07065	17.8
88.02251	0.9
91.05489	17.7
93.07056	11.2
95.08628	2.7
97.02887	0.9
103.03983	0.9
103.05461	2.2
105.03435	1.2
105.07039	97.2
106.07369	0.7
107.08607	3.2
115.05463	1.9
117.07035	5.9
119.08591	59.7
120.08875	0.9
126.06739	0.8
128.06221	1.7
131.08595	1.2
132.09351	1.5
133.06493	2.2
133.10136	21.9
143.08598	1.5
146.07254	1.0
146.10840	1.0
159.11690	1.5
161.06038	4.0
161.09634	8.5
161.13266	100.0
162.11264	2.9
162.13589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
52.07486	0.6
53.01031	0.6
53.03954	6.3
55.01867	1.2
55.05505	1.7
56.64704	0.7
57.03446	3.1
57.07063	2.0
61.02931	17.0
67.05513	3.1
69.03432	4.4
69.07045	1.1
69.72496	3.3
73.02914	7.6
77.03920	1.5
79.05075	0.9
79.05499	12.1
81.03391	2.0
81.07057	6.0
83.08621	1.1
84.08139	1.0
85.02906	18.6
89.06048	1.4
91.03972	5.8
91.05479	4.6
92.02615	2.3
93.07043	8.9
95.04965	6.5
95.08617	3.6
97.02899	4.8
99.04437	2.0
101.02381	1.1
103.03918	0.8
103.05459	4.6
105.03372	2.5
105.04522	3.6
105.07024	4.3
106.06546	1.8
107.04961	4.8
107.08601	11.4
109.02912	0.9
109.06507	0.8
114.08091	0.6
115.03944	1.0
117.03374	1.0
117.05717	1.5
117.07042	1.5
118.06514	1.3
119.04922	1.3
119.07333	0.9
119.08580	2.7
120.08115	1.5
121.06512	3.2
121.10147	9.4
127.03929	1.3
130.06520	6.4
130.07852	0.7
131.04927	5.7
132.08113	6.7
133.02863	18.9
135.03412	1.3
135.04427	20.5
135.08051	1.9
135.11720	3.1
145.04953	1.0
145.06479	0.9
145.10144	4.7
163.03909	100.0
163.07486	3.9
163.11189	11.6
163.12340	6.8
163.14810	8.2
164.04236	1.9
164.07065	10.5
168.35756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03946	5.0
54.02282	1.0
55.01862	3.8
55.05514	11.1
56.96548	1.0
57.03422	2.5
57.07066	3.5
61.02925	2.2
63.68149	0.9
65.03933	2.1
67.05510	7.9
69.03433	35.3
69.07079	7.7
71.04983	1.0
71.52732	2.2
73.02924	1.3
75.28162	1.0
76.32321	1.0
77.03916	0.9
79.05496	32.7
80.05017	1.0
81.03402	2.8
81.07057	17.2
83.04990	2.2
83.08632	1.5
84.08144	1.5
85.02895	3.9
87.04505	1.0
89.03920	10.6
89.06026	2.8
91.05483	26.0
93.07045	100.0
94.07340	1.0
95.04978	7.0
95.08604	9.8
97.02893	1.0
98.97594	1.9
99.04449	1.2
100.02502	1.9
101.00725	1.2
103.05470	22.5
105.03459	1.0
105.04527	3.3
105.07034	38.1
106.06538	3.7
106.69015	0.9
107.04964	10.9
107.08596	90.6
109.06525	3.4
109.10242	1.1
115.05446	3.0
117.03380	9.1
117.05753	2.5
117.07019	8.8
119.04935	2.5
119.08587	15.0
119.80728	0.9
120.08099	1.3
121.06517	11.3
121.10143	29.1
126.02412	0.8
129.06981	1.1
130.06543	6.1
130.07750	4.7
131.04933	31.9
132.08102	7.6
133.02844	6.4
135.04417	27.3
135.08075	5.4
135.11693	50.2
143.08556	1.3
145.02890	8.6
145.03912	1.9
145.06459	1.8
145.10129	31.8
148.08798	1.6
163.03911	80.2
163.07542	15.0
163.11169	76.2
163.12321	7.3
163.14821	16.4
164.07040	6.9
164.11655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34607	0.4
60.08160	0.7
64.69686	0.5
69.03425	0.9
71.52813	0.6
77.63960	0.5
85.02902	0.5
88.02200	0.9
91.05489	2.9
93.07037	1.7
105.03378	0.5
105.07039	23.1
107.04961	1.3
115.05456	0.9
117.07018	1.1
119.08583	1.5
120.05562	0.6
121.06510	10.7
128.06215	2.8
131.04968	1.5
131.08546	1.5
132.05717	0.6
132.60359	0.5
133.06483	1.5
133.09123	0.9
133.10143	17.9
143.08501	2.5
145.06511	1.9
146.07278	19.7
159.08089	1.2
161.09624	100.0
161.13268	1.9
162.09962	1.4
162.11288	1.9
167.27713	0.5
167.35776	0.5
179.51904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01855	1.0
55.05500	0.3
60.08160	0.5
67.05498	0.3
69.03429	6.6
69.07028	0.3
70.05537	0.7
70.05945	0.4
79.05509	1.3
80.27724	0.2
81.07052	0.7
85.02909	0.4
88.04023	0.2
91.05475	3.3
93.07037	1.1
95.08587	0.2
103.03922	0.6
103.05442	0.3
105.03397	0.3
105.07033	13.3
113.02338	0.4
115.05464	1.3
117.07035	1.2
119.04958	0.5
119.08585	3.7
121.06501	0.9
128.06223	4.0
131.04916	1.0
131.08546	1.1
132.05710	0.8
133.02795	0.2
133.06506	1.9
133.10130	6.6
143.08559	6.3
143.09712	0.3
145.06476	2.6
146.07274	3.7
159.08054	4.0
161.06097	1.6
161.09616	100.0
161.13210	3.3
162.09943	1.4
162.11270	1.0
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
53.03947	0.6
55.01873	0.6
55.05504	1.2
60.08161	0.6
66.98289	0.4
67.05511	2.3
69.03088	0.6
69.03433	7.5
69.07062	1.4
71.52261	0.4
72.08176	0.4
79.05499	3.2
81.07060	5.0
85.02903	0.7
91.04910	0.5
91.05486	11.5
93.07046	4.6
95.04972	0.6
95.08617	1.2
97.02916	0.4
103.03966	0.7
103.05465	1.4
105.03436	0.4
105.07040	46.8
107.04980	1.2
107.08605	1.0
113.02386	0.5
115.05448	1.2
116.06290	0.4
117.07063	2.0
118.07776	0.4
119.04931	0.7
119.08591	18.4
119.95736	0.4
121.06514	12.1
121.07391	0.6
121.42384	0.3
128.06227	5.6
129.07053	0.4
131.04938	1.9
131.08606	2.0
132.05681	0.8
133.06534	3.1
133.07407	0.6
133.10139	25.6
143.08575	8.1
145.06491	2.4
146.03641	0.5
146.07274	19.1
155.06056	0.4
159.08066	0.6
159.11630	0.4
161.06078	3.0
161.09628	100.0
161.13263	24.7
162.09985	1.2
162.11273	2.3
179.49083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	1.7
55.01871	1.7
55.05513	8.5
60.08180	0.9
65.03946	1.0
66.38123	0.6
67.05505	7.0
69.03431	1.4
69.07069	11.4
71.51615	0.5
72.08144	1.0
75.04482	0.7
77.03892	0.6
78.93145	0.7
79.05499	11.4
81.07056	17.2
83.08599	0.7
85.02881	0.7
87.04490	0.6
88.02214	0.7
91.05483	29.5
93.07046	16.2
95.05000	1.4
95.08588	3.2
103.03957	1.3
103.05460	5.6
105.03396	1.4
105.07034	100.0
106.07312	0.5
107.08591	7.1
107.93948	0.6
113.02381	1.4
115.03886	0.6
115.05458	6.7
117.07017	7.9
118.04152	2.9
118.07793	1.0
119.08583	96.5
120.08113	0.5
120.08887	0.8
121.06493	0.6
121.10123	2.9
128.06239	1.6
131.04944	1.0
131.08578	6.7
132.09360	1.3
133.06509	10.7
133.10130	48.9
143.04965	1.1
143.06013	0.6
143.08585	2.8
145.10139	0.6
146.03633	1.1
146.07262	2.7
146.10898	2.5
159.11684	3.1
161.05978	13.5
161.07111	0.9
161.09628	17.7
161.13257	80.1
162.05469	1.0
162.11296	1.7
162.13600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03943	2.0
55.01871	1.4
55.05514	11.0
65.03923	1.0
67.05512	4.5
69.07072	12.9
71.06306	1.4
79.05502	8.8
81.07056	9.9
83.08601	0.9
85.02902	0.7
91.05484	20.7
93.07052	9.4
95.04968	1.4
95.08598	1.9
96.01574	0.7
103.05470	4.7
104.06240	0.7
105.07034	100.0
106.07349	1.4
107.08606	5.1
113.02394	1.2
115.05453	6.6
117.07012	6.1
118.04166	2.6
118.07762	1.0
119.08585	99.4
121.09433	0.5
121.10153	3.3
128.06227	1.4
131.04912	1.2
131.08588	8.1
132.09332	1.8
133.06494	11.5
133.10138	50.6
143.04929	0.7
143.06071	0.9
143.08586	2.9
145.10097	0.9
146.03708	0.9
146.07280	2.1
146.10945	2.9
159.11703	5.7
161.06030	5.5
161.09641	10.9
161.13263	92.7
162.05453	0.7
162.11259	1.2
162.13551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96579	1.2
65.03944	0.6
67.05502	3.0
68.56207	0.4
70.06602	0.5
70.64151	0.7
71.05005	0.5
76.92986	0.5
76.93355	2.1
79.05053	0.4
79.05480	1.8
81.07061	1.6
91.05486	12.5
91.96855	0.3
93.07056	0.9
94.94398	0.4
95.08613	0.4
98.09729	0.5
98.97588	0.6
99.04453	0.5
99.10020	0.5
99.38792	0.3
103.05474	0.9
105.07035	15.3
113.02383	2.7
113.05991	0.4
114.09214	0.5
115.05456	3.4
116.06248	1.3
117.07024	27.6
117.95976	3.0
118.07343	0.5
119.08585	7.5
128.06206	1.7
129.07008	13.4
130.07797	15.2
131.08574	71.4
132.08949	0.9
135.97037	0.8
141.01831	9.6
141.06992	0.6
141.14687	0.8
142.07806	1.6
143.08574	1.4
144.09352	16.3
157.10130	3.6
159.08273	2.3
159.11696	100.0
159.15736	4.0
160.12022	1.9
169.06465	0.4
171.68130	0.3
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
50.83189	0.2
56.96568	0.7
61.90697	0.2
71.51243	0.3
72.24426	0.2
81.75839	0.2
82.99847	5.0
83.00305	0.4
83.99966	0.2
98.97588	2.8
100.02508	0.3
100.97179	0.8
101.00890	45.4
101.95034	1.1
101.97211	0.4
102.00946	1.9
102.96878	0.9
103.02480	0.4
106.96558	0.6
107.05246	1.3
111.00433	0.5
111.04456	0.7
113.54197	0.3
115.97082	1.1
116.05788	1.6
116.98634	0.9
117.03117	0.3
119.01929	100.0
119.48954	0.2
120.01981	2.5
120.97928	0.3
121.02405	0.4
124.02503	0.6
124.97607	1.7
125.02563	0.7
127.47856	1.3
128.47725	0.3
129.04744	0.4
133.98117	1.0
134.99713	0.3
136.48380	2.9
137.02966	18.2
137.48286	0.5
138.03104	0.6
140.00244	0.4
142.03526	1.7
143.01915	0.5
143.03645	2.7
145.48895	2.9
146.48714	0.8
149.00859	0.3
152.67377	0.2
161.02975	7.9
161.04446	0.4
179.04022	7.5
179.05597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92075	0.7
55.01881	4.3
55.05503	1.0
56.94584	0.7
56.96565	13.6
57.03440	8.3
58.99860	1.9
59.52184	1.0
60.95857	0.8
61.02651	1.1
61.02930	13.0
66.46665	0.9
67.01868	1.3
68.98284	1.0
69.03431	1.6
69.52425	2.5
70.03761	3.5
70.06591	0.8
70.98109	2.0
70.99836	2.6
71.01351	1.6
71.04994	0.9
73.02911	5.1
75.01012	0.9
77.00857	1.0
78.52551	1.2
78.52962	14.0
79.03006	1.3
82.01447	26.9
82.25813	0.8
82.99837	11.5
83.01514	1.6
83.06081	2.2
83.52169	1.3
84.01572	1.9
84.99259	3.7
85.01405	1.8
85.02916	4.1
85.03325	0.8
85.51916	1.6
85.53722	0.9
86.52683	3.3
86.99311	1.0
87.00809	1.1
89.00826	1.7
91.02464	1.2
92.52697	12.1
93.02740	0.9
93.04530	1.3
94.00854	1.7
95.01295	6.1
95.06087	2.1
95.53190	1.0
97.00553	0.9
97.01379	2.0
97.45715	1.0
97.99196	1.3
98.01340	1.7
98.09696	11.8
98.52659	1.6
98.97578	6.6
99.04430	1.5
99.53428	1.0
100.02489	28.9
100.52421	1.4
101.00886	72.7
101.01553	2.5
101.02553	3.7
101.53233	5.0
102.00947	1.6
103.00571	1.3
103.01353	2.9
103.02443	2.2
103.51440	1.1
104.01287	0.8
105.51661	0.8
106.01019	3.0
107.53228	1.9
109.52940	2.2
110.01280	1.4
110.02138	2.3
110.02965	0.8
110.07172	24.5
110.97554	1.0
111.02129	1.0
112.52422	1.1
113.00884	6.4
113.02412	1.7
113.53204	2.3
114.00966	1.2
114.03235	1.5
114.04022	9.9
114.52138	1.3
115.00603	2.4
115.01368	2.4
115.02435	10.7
116.98600	1.6
117.01862	8.9
118.03528	5.7
119.01924	100.0
120.02000	3.3
121.52869	1.1
124.02494	12.7
125.02539	0.8
126.98761	3.1
127.03933	1.7
129.03978	1.4
131.00198	1.1
131.01904	9.1
132.01958	1.7
132.05087	4.8
132.95816	1.7
133.01648	4.4
133.03470	23.4
137.02956	11.0
138.04028	1.5
142.03506	68.7
142.96503	0.9
143.01929	1.3
143.03616	1.9
144.53314	1.2
144.99808	3.0
145.03452	1.9
147.01312	1.6
147.05000	1.1
149.02966	1.1
150.00354	1.9
151.04541	4.1
154.03496	1.8
156.03220	1.6
156.05054	5.8
156.07678	3.1
156.10199	1.5
156.13834	2.6
159.01343	1.8
160.04556	9.8
161.02983	1.6
168.01436	6.4
168.99858	4.4
172.04526	1.6
172.99297	2.9
174.06142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79529	0.9
55.05515	13.9
56.05035	11.0
56.96568	9.4
57.03193	1.5
57.03444	16.3
57.07069	1.0
57.93565	2.3
58.06605	2.7
60.04531	64.1
67.05496	4.5
69.07072	17.3
69.23309	0.9
69.52157	1.1
69.52483	6.8
70.06600	18.1
71.04977	2.8
71.95252	3.0
72.04508	2.4
72.08160	1.5
74.06084	15.2
76.93361	1.1
79.05508	11.4
81.07063	83.1
82.07366	1.0
84.04489	1.7
84.08153	5.1
85.06536	1.5
86.06059	1.6
86.09716	24.1
87.04477	1.7
88.07632	2.7
88.23938	1.0
94.45780	0.9
95.08603	1.6
98.06057	7.4
98.09698	100.0
98.97592	81.6
99.08097	65.7
100.07619	1.8
112.02184	2.5
112.07610	14.0
114.05527	1.7
115.02352	1.3
116.07093	6.7
116.10730	21.7
116.97359	7.5
116.98625	43.3
117.95981	1.7
124.02828	3.3
128.09807	2.0
128.10722	25.4
130.06538	16.2
131.06863	1.0
131.99550	1.1
134.95874	1.6
134.99681	15.7
140.00169	1.5
140.01616	1.3
140.07059	3.7
140.10725	7.3
140.14348	9.1
141.01854	1.4
152.96953	2.2
158.06029	14.8
158.08147	7.5
158.09656	17.7
158.11777	76.6
158.15413	87.1
159.11830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
69.36288	10.5
74.09721	11.9
82.77012	1.2
91.26530	1.2
96.96911	2.9
98.09709	4.6
98.20717	2.2
110.07176	8.8
112.05276	9.6
130.06305	13.0
133.01663	2.0
138.98395	1.2
156.04221	100.0
156.13878	1.6
157.02412	1.2
171.57704	1.3
171.95680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09321	1.0
55.01879	4.9
56.96572	16.9
57.03441	9.5
58.11886	1.0
58.99854	1.4
61.02928	8.6
66.00523	2.0
67.05483	2.1
68.98299	0.9
68.99781	1.5
69.03425	2.4
69.74581	3.6
69.74994	1.8
70.06600	1.4
70.99850	3.5
71.04984	1.3
72.08161	1.3
73.01407	1.0
73.02926	6.7
74.00253	2.8
74.09714	5.4
74.54218	2.5
75.01050	2.4
78.52977	5.8
81.03415	1.1
82.01451	17.2
82.05318	1.2
82.99859	8.9
83.00780	3.0
83.01524	3.6
83.06116	3.2
84.01595	8.8
84.08153	2.1
84.99258	1.0
85.01402	2.7
85.02910	5.8
85.07666	2.0
86.52714	1.2
87.02850	1.0
87.53470	1.0
87.54977	1.1
89.00820	2.2
89.02538	1.2
92.01295	1.3
92.52690	5.4
93.02085	3.1
93.04518	1.9
94.00835	1.4
94.01798	1.8
95.00793	1.2
95.01333	4.3
95.06118	2.3
95.52338	1.1
96.01557	2.8
97.01412	1.3
97.02882	2.0
98.01308	1.2
98.03098	1.0
98.09707	11.8
98.20766	1.9
98.97610	7.2
99.04455	1.2
100.02489	24.1
100.52427	1.9
101.00894	70.4
101.02534	6.0
101.53230	1.3
102.00980	2.6
102.01605	1.9
102.02268	1.7
103.00561	3.3
103.01347	1.1
103.02403	5.8
104.01292	3.2
105.02089	3.0
106.01007	1.5
107.53207	1.4
110.01288	2.6
110.02153	1.8
110.07166	40.4
110.07877	31.3
110.58044	1.1
110.97575	1.6
111.02103	4.6
111.02860	0.8
111.98418	1.0
112.01054	2.3
112.05265	3.0
112.52406	0.9
112.54238	2.6
112.99136	2.2
113.00884	3.9
113.01704	1.3
113.53258	1.3
114.00980	1.1
114.04038	8.7
115.00642	2.7
115.01701	1.0
115.02399	5.6
115.04118	1.6
116.98675	1.2
117.02035	2.5
118.02818	1.2
118.03533	4.0
118.34214	1.0
119.01933	100.0
120.01929	1.9
121.01581	3.2
121.03482	1.2
121.54780	1.5
124.02485	10.4
125.06021	1.1
126.02452	0.8
126.98803	1.5
127.03971	1.1
128.02330	1.7
128.98654	1.1
130.06322	5.4
131.00179	7.7
131.01863	4.4
132.02016	2.3
132.05077	3.7
132.95857	2.6
133.01614	3.0
133.02548	1.2
133.03473	20.0
133.05101	1.1
136.07616	8.7
137.02951	12.9
142.03516	61.8
143.01936	1.5
143.03668	1.3
144.03282	3.7
144.99831	1.2
147.01430	1.4
147.03027	1.2
149.01248	9.2
151.04532	3.8
156.04207	27.0
156.07683	4.8
156.13808	3.2
160.04559	8.7
161.02907	1.5
168.01465	3.9
168.04939	0.9
168.99849	3.9
174.99266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54882	0.8
55.01864	2.9
56.05037	1.1
56.96568	7.1
57.03439	6.7
57.07059	2.3
58.99870	1.3
61.02936	8.8
66.52974	1.1
67.05503	5.0
68.99762	0.9
69.03432	2.1
69.52456	1.2
69.83881	0.9
70.06602	1.4
70.75278	1.7
70.99859	2.8
71.03002	1.0
73.02924	4.3
74.54238	4.7
78.52979	7.2
78.93742	0.9
80.52734	0.9
80.94533	0.9
82.01443	13.5
82.05325	2.3
82.06601	1.2
82.99833	4.8
83.01528	2.7
83.06111	9.3
83.52183	0.8
84.01582	1.9
84.04482	0.9
84.08153	6.4
84.33345	0.8
85.01392	1.2
85.02934	1.9
86.14435	0.8
86.52698	1.9
87.54984	2.7
89.00824	2.3
91.05485	3.6
92.52710	4.7
93.04535	7.6
94.52440	1.3
95.01350	3.8
95.06095	8.0
95.53198	1.1
96.01555	1.0
98.09698	42.0
98.97598	2.5
99.04461	0.9
99.53468	0.8
100.02489	20.2
100.52438	1.9
101.00886	40.3
101.02563	5.3
101.53208	1.9
101.56522	1.6
102.00974	1.8
102.02221	1.5
102.06700	0.9
103.01387	1.7
103.02433	3.1
103.56296	2.0
104.01225	1.0
104.03519	0.8
107.53258	1.5
110.02183	1.9
110.07166	100.0
110.07876	81.3
110.58032	7.1
111.02063	1.4
112.01021	1.3
112.54247	2.0
113.00860	2.2
114.04047	7.7
114.52222	0.9
115.00637	1.1
115.01370	1.8
115.02436	5.1
116.98627	1.3
117.01856	2.0
117.06960	0.8
117.63732	0.9
118.03550	5.1
119.01929	65.1
119.04967	3.0
120.02060	1.2
121.01640	1.8
124.02493	6.9
126.98767	2.0
127.03872	1.0
129.06989	0.8
131.00180	2.0
131.01895	4.7
132.02007	1.2
132.05060	2.5
132.95840	1.1
133.01630	3.5
133.03470	13.1
135.06816	2.7
136.07597	22.1
137.02968	11.8
138.06451	1.0
142.03506	42.2
143.03622	1.5
144.99825	2.6
145.03500	1.2
147.01405	1.1
148.07620	1.1
149.01244	3.4
150.00510	0.9
151.04539	2.8
154.03488	1.3
156.04230	2.8
156.05324	1.2
156.06461	1.6
156.07687	14.0
156.10208	2.0
156.13847	11.6
160.04585	6.3
161.02914	1.5
165.05113	1.0
168.01491	4.4
168.99890	3.8
171.01465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54882	0.8
55.01864	2.9
56.05037	1.1
56.96568	7.1
57.03439	6.7
57.07059	2.3
58.99870	1.3
61.02936	8.8
66.52974	1.1
67.05503	5.0
68.99762	0.9
69.03432	2.1
69.52456	1.2
69.83881	0.9
70.06602	1.4
70.75278	1.7
70.99859	2.8
71.03002	1.0
73.02924	4.3
74.54238	4.7
78.52979	7.2
78.93742	0.9
80.52734	0.9
80.94533	0.9
82.01443	13.5
82.05325	2.3
82.06601	1.2
82.99833	4.8
83.01528	2.7
83.06111	9.3
83.52183	0.8
84.01582	1.9
84.04482	0.9
84.08153	6.4
84.33345	0.8
85.01392	1.2
85.02934	1.9
86.14435	0.8
86.52698	1.9
87.54984	2.7
89.00824	2.3
91.05485	3.6
92.52710	4.7
93.04535	7.6
94.52440	1.3
95.01350	3.8
95.06095	8.0
95.53198	1.1
96.01555	1.0
98.09698	42.0
98.97598	2.5
99.04461	0.9
99.53468	0.8
100.02489	20.2
100.52438	1.9
101.00886	40.3
101.02563	5.3
101.53208	1.9
101.56522	1.6
102.00974	1.8
102.02221	1.5
102.06700	0.9
103.01387	1.7
103.02433	3.1
103.56296	2.0
104.01225	1.0
104.03519	0.8
107.53258	1.5
110.02183	1.9
110.07166	100.0
110.07876	81.3
110.58032	7.1
111.02063	1.4
112.01021	1.3
112.54247	2.0
113.00860	2.2
114.04047	7.7
114.52222	0.9
115.00637	1.1
115.01370	1.8
115.02436	5.1
116.98627	1.3
117.01856	2.0
117.06960	0.8
117.63732	0.9
118.03550	5.1
119.01929	65.1
119.04967	3.0
120.02060	1.2
121.01640	1.8
124.02493	6.9
126.98767	2.0
127.03872	1.0
129.06989	0.8
131.00180	2.0
131.01895	4.7
132.02007	1.2
132.05060	2.5
132.95840	1.1
133.01630	3.5
133.03470	13.1
135.06816	2.7
136.07597	22.1
137.02968	11.8
138.06451	1.0
142.03506	42.2
143.03622	1.5
144.99825	2.6
145.03500	1.2
147.01405	1.1
148.07620	1.1
149.01244	3.4
150.00510	0.9
151.04539	2.8
154.03488	1.3
156.04230	2.8
156.05324	1.2
156.06461	1.6
156.07687	14.0
156.10208	2.0
156.13847	11.6
160.04585	6.3
161.02914	1.5
165.05113	1.0
168.01491	4.4
168.99890	3.8
171.01465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03946	3.1
55.01867	12.5
55.05514	12.2
56.96561	1.8
57.03424	4.7
57.07080	7.8
58.06144	1.5
65.03955	2.8
67.05508	20.3
69.03434	14.1
69.07077	29.8
70.49638	2.6
70.50021	2.3
71.04984	6.9
71.08635	39.5
72.93791	100.0
73.02903	6.0
74.77419	1.5
79.05495	13.9
81.03410	7.3
81.07057	42.3
83.04489	2.4
83.04981	32.4
83.08626	2.2
85.02901	6.8
85.06544	37.1
90.94836	19.1
91.05482	14.7
91.10563	1.5
93.07001	2.1
95.04976	18.9
95.08618	14.9
95.13680	1.5
97.06524	5.0
98.09700	58.6
99.04465	5.8
99.08099	22.4
107.04924	1.6
109.02903	3.6
109.06524	51.4
109.10161	10.6
111.04454	5.8
111.08109	1.9
113.05999	6.2
113.96407	85.1
119.04961	8.9
121.88290	1.5
123.04472	1.8
125.05997	3.2
127.03912	3.8
127.07532	4.0
131.97438	34.1
137.05995	26.0
137.09625	2.1
137.13217	2.1
149.97240	2.0
150.96947	1.7
152.38402	1.7
153.06992	3.2
154.99040	4.9
155.03363	5.9
155.07048	17.6
155.08525	8.7
155.14319	65.3
155.15596	3.2
156.13847	10.0
162.69862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03941	3.3
55.01875	9.1
55.05524	7.5
57.03426	1.9
57.07076	1.3
59.05017	6.7
65.03926	1.4
65.68095	1.2
67.05509	35.0
67.93274	1.3
69.03430	10.1
69.07072	31.7
69.98173	6.0
70.06599	2.5
71.01347	5.3
71.04987	13.1
71.31181	1.7
72.93792	94.8
73.02911	5.4
76.59344	1.1
79.05504	14.8
81.03403	4.9
81.07059	29.8
83.04993	20.8
85.02911	3.1
85.06557	3.4
85.10197	2.0
87.04502	2.3
88.12161	1.4
90.94833	21.0
91.05493	11.5
93.07054	2.3
95.04967	16.7
95.08611	27.5
95.39767	1.2
97.06535	36.7
98.09695	49.1
98.98461	2.7
99.04465	5.2
99.56112	1.7
100.94427	1.5
107.80508	1.3
108.95853	2.2
109.02869	2.5
109.06519	39.3
109.09395	1.6
109.10160	33.7
111.04454	4.6
111.08086	2.5
113.06029	5.8
113.09658	6.9
113.96407	100.0
119.04912	7.2
119.08580	1.9
122.07284	1.6
127.03922	3.4
127.07574	3.8
131.97446	45.2
137.05974	16.1
137.09621	49.9
147.97011	1.3
149.97208	2.5
150.96938	1.8
154.99042	8.3
155.03438	3.6
155.07043	14.8
155.08553	12.4
155.10651	26.0
155.14282	3.5
156.13811	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03947	1.8
54.90891	0.6
55.01878	4.4
55.05514	18.3
56.31974	0.5
57.03438	3.7
57.07071	2.4
59.05002	4.5
65.03941	3.0
65.96648	0.5
67.05507	100.0
68.05827	0.7
69.03431	4.8
69.07072	3.3
70.06604	0.6
71.04995	3.7
71.52304	0.5
71.52754	0.7
72.93792	42.2
73.02924	2.7
79.05490	7.0
81.03426	2.4
81.07059	35.5
83.04989	8.4
83.08630	4.9
85.02919	1.0
85.06548	2.6
90.94825	9.5
91.05489	8.9
93.07072	2.3
95.04969	5.7
95.08604	7.8
97.06564	0.9
98.09697	26.1
99.04473	2.2
101.39268	0.5
105.04562	0.5
106.51328	0.5
107.08614	1.5
107.66506	0.5
108.95881	1.2
109.02902	1.3
109.06522	15.8
109.10164	23.9
110.07132	0.5
111.04447	2.9
111.08093	4.1
113.06060	1.2
113.96406	33.9
119.04974	2.3
119.08620	1.6
125.06028	0.7
127.03939	1.7
127.07588	2.0
131.97441	18.6
137.05977	8.5
137.07957	0.6
137.09613	1.2
137.13309	1.2
149.97270	1.1
154.99037	2.7
155.03444	1.8
155.07066	6.8
155.08525	1.8
155.10664	1.1
155.14345	0.5
155.15492	0.6
156.13844	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	153.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	100.0
57.06826	2.8
57.07078	15.4
62.26136	3.2
69.07072	59.5
70.51698	10.1
71.08615	8.0
81.07058	3.9
83.08627	55.6
93.07072	5.3
95.08607	4.5
96.60901	3.0
97.10177	61.1
107.08575	3.4
111.08055	5.7
112.08754	3.1
140.95142	3.1
153.05492	4.1
153.09084	3.8
153.10226	7.3
153.11374	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03957	1.0
53.21821	0.4
55.01876	4.7
55.05512	18.7
55.15810	0.5
57.03446	3.4
57.07073	1.9
59.05005	5.0
64.83263	0.4
65.03936	2.6
67.05506	100.0
68.05847	0.8
69.03439	2.3
69.07076	3.3
70.06593	0.8
70.95860	0.5
71.05000	3.6
71.52888	0.7
72.93793	31.5
73.02921	1.7
73.07625	0.4
78.02946	0.4
79.05502	4.9
80.48137	0.4
81.03420	1.7
81.07058	20.2
83.04991	5.9
83.08624	5.3
85.02927	0.4
85.06536	2.8
90.94821	6.9
91.05493	7.3
93.07048	2.8
95.04978	4.0
95.08606	4.6
96.45884	0.4
97.06512	0.7
98.09697	17.0
98.98489	0.8
99.04469	1.5
101.54069	0.5
107.04997	0.5
107.08610	1.8
109.02908	1.0
109.06516	10.1
109.10158	24.8
111.04449	1.8
111.08090	4.9
113.06008	1.2
113.96406	25.4
119.04998	1.7
119.08595	1.3
123.04457	0.5
127.03916	1.2
127.07587	1.4
131.97437	10.9
137.02376	0.6
137.05972	5.6
137.08025	0.5
137.09663	2.0
154.99014	2.3
155.03410	1.1
155.07062	4.8
155.08536	2.7
155.10710	1.0
156.06654	0.6
156.13837	4.5
156.14877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.65852	2.1
53.03955	4.4
55.01868	5.9
55.05272	3.0
55.05514	41.3
55.48468	1.8
56.96588	2.2
57.03426	6.5
57.07067	3.3
59.04996	10.2
59.60778	1.9
65.03946	31.1
67.05180	3.3
67.05510	40.2
69.03450	10.2
69.07076	32.9
70.64171	3.9
70.94270	9.7
70.95879	2.7
71.05002	10.0
71.08636	80.6
73.06545	3.7
79.05498	38.0
81.03428	5.0
81.06593	3.2
81.07060	55.7
83.04987	45.7
83.08603	6.5
88.95262	2.5
91.05489	20.7
93.03407	38.7
93.07050	83.8
95.04964	26.4
95.08611	61.5
97.02930	1.6
97.06005	3.1
97.06545	32.8
99.08105	30.2
105.04528	1.9
105.07060	7.6
107.04961	8.0
107.08601	100.0
109.06519	18.0
109.10165	99.6
110.03676	6.9
111.03730	3.6
111.04451	47.5
111.08088	20.9
111.11800	2.1
111.96867	9.5
117.06886	1.9
117.42086	1.8
119.08611	2.6
124.93761	1.9
125.06007	29.9
125.09600	6.3
129.97913	4.9
135.04414	8.6
135.08047	10.2
135.11705	55.7
135.12730	3.4
153.01852	3.5
153.05495	23.3
153.06670	3.3
153.07278	2.9
153.09125	11.3
153.10225	3.9
153.12756	79.5
154.05043	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	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01868	8.3
55.05512	15.4
55.30051	1.2
57.03437	5.7
57.07072	2.1
59.05001	9.3
61.96249	1.1
65.03940	39.7
67.05505	26.0
68.99786	1.4
69.03424	9.9
69.07069	15.4
70.30383	4.7
70.94273	5.6
70.95844	3.2
71.04980	4.4
75.04459	2.5
75.83631	1.1
79.05490	31.1
81.03419	12.5
81.06594	2.1
81.07056	32.4
81.99413	1.1
83.04977	17.7
83.08600	3.4
85.06526	2.4
88.95331	1.3
91.05481	20.3
93.03406	48.1
93.07044	76.7
95.04971	13.3
95.08609	39.3
97.02881	1.9
97.06536	21.8
98.20860	1.7
101.07326	1.2
103.58872	1.1
104.76920	1.0
105.07028	10.6
107.04980	8.0
107.08595	100.0
108.08870	1.3
109.06518	12.5
109.10161	49.8
110.03665	7.0
110.07269	1.1
111.04445	75.1
111.08081	17.7
111.11705	1.0
111.55132	1.1
111.96859	4.8
117.07018	3.1
119.06052	2.6
119.08572	1.6
121.06511	3.1
123.08079	7.6
125.02357	1.5
125.05993	45.7
125.09644	12.4
127.25220	1.1
130.11232	7.4
134.06020	2.0
135.04414	3.3
135.07123	1.9
135.08073	19.7
135.11690	49.8
136.07588	5.5
153.01869	2.8
153.05455	24.1
153.06955	5.7
153.09088	19.4
153.10210	2.3
153.12746	28.7
154.04929	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.01622	0.6
53.03947	2.1
55.01859	1.7
55.05507	7.7
57.03440	3.2
57.07079	1.5
59.04997	2.3
65.03612	1.1
65.03938	14.0
67.05505	13.0
67.05846	1.2
69.03429	4.2
69.06732	1.1
69.07071	13.9
70.09793	2.2
70.94270	3.5
70.95879	1.3
71.05003	3.9
71.94119	0.7
78.02175	0.6
79.05495	15.9
81.03426	1.5
81.07056	15.9
83.04980	8.5
83.08626	2.7
83.32658	0.7
85.06548	1.4
86.74564	0.6
87.04423	0.7
87.77433	0.7
88.95304	0.9
91.05466	9.9
93.03404	16.8
93.07043	71.1
94.04195	0.8
94.07339	0.7
94.91891	0.5
95.04979	5.5
95.08606	57.3
97.06532	11.9
98.21475	0.8
105.04510	0.7
105.07018	3.4
107.04929	3.2
107.08591	100.0
107.98397	0.5
108.08975	1.1
109.06510	5.8
109.10163	16.8
110.03654	2.3
111.04437	20.5
111.08090	5.6
111.96896	3.3
112.96667	0.6
117.06921	0.6
119.06032	0.8
121.02859	0.6
125.05987	13.6
125.09599	2.6
129.97871	0.6
130.11253	0.6
135.04402	2.1
135.08073	4.9
135.11693	45.3
136.07579	2.1
138.06731	0.9
153.05461	9.0
153.06590	1.1
153.09126	4.5
153.12732	23.2
153.13786	1.0
154.04994	0.8
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
53.03929	4.9
55.01877	7.7
55.05276	2.4
55.05516	35.4
57.03428	5.4
57.07077	2.6
58.91051	1.5
59.04992	6.5
63.96762	1.4
65.03941	23.3
67.05510	32.6
69.03448	6.9
69.06730	2.5
69.07072	28.7
69.93978	5.7
70.94275	9.9
70.95861	4.3
71.04990	12.1
71.08637	60.3
74.64860	1.3
75.05319	1.4
79.05501	30.2
81.03423	2.8
81.07062	40.8
83.04992	34.9
83.08626	4.7
87.04428	2.0
87.25739	1.3
91.05487	15.3
93.03411	24.0
93.07046	75.6
95.04971	33.3
95.08613	51.0
96.03322	1.7
97.06535	29.5
99.08089	19.3
105.07029	6.4
107.04945	9.1
107.08598	99.7
108.08859	1.9
109.06528	14.1
109.10162	100.0
110.03647	5.7
110.10402	1.7
111.04446	29.8
111.08083	18.5
111.96873	7.1
119.08617	2.1
125.06004	20.8
125.09628	7.9
129.97897	4.0
130.11197	1.5
135.04442	7.0
135.08104	7.0
135.11699	57.8
136.07607	2.8
153.04301	2.1
153.05484	16.6
153.06660	2.2
153.07146	1.4
153.09151	9.5
153.10147	2.1
153.12750	66.9
154.05013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03942	1.6
55.01857	2.4
55.05513	10.9
57.03444	4.7
57.07068	1.9
59.05001	1.8
65.03939	8.5
67.05508	25.5
68.05032	1.1
69.03427	3.8
69.07075	46.3
70.94255	3.8
70.95860	2.2
71.04991	2.6
71.14486	1.6
71.94096	1.0
71.95264	0.9
73.06536	1.3
79.05502	26.1
81.06596	1.7
81.07063	32.8
81.71537	0.9
83.04976	8.4
83.08627	6.9
85.06549	2.0
87.04448	1.1
87.41602	0.9
88.95284	0.9
91.05489	5.1
91.06001	0.9
93.03406	6.7
93.07048	39.7
95.04987	4.1
95.08614	18.7
97.06542	21.9
105.07045	1.6
107.05005	4.7
107.08602	44.6
109.06509	3.4
109.10165	29.6
110.03651	2.1
111.04472	13.5
111.08073	9.2
111.11701	1.1
111.96874	2.3
123.62635	0.8
125.05997	11.4
125.09643	2.2
126.06351	1.3
129.97978	2.1
134.40799	0.8
135.04413	2.7
135.08087	2.0
135.11702	96.8
136.07588	2.3
153.05476	9.7
153.07394	3.8
153.09215	6.3
153.12753	100.0
154.04955	1.2
154.13095	1.3
165.57635	0.9
169.62701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	3.5
55.01868	8.3
55.05512	15.4
55.30051	1.2
57.03437	5.7
57.07072	2.1
59.05001	9.3
61.96249	1.1
65.03940	39.7
67.05505	26.0
68.99786	1.4
69.03424	9.9
69.07069	15.4
70.30383	4.7
70.94273	5.6
70.95844	3.2
71.04980	4.4
75.04459	2.5
75.83631	1.1
79.05490	31.1
81.03419	12.5
81.06594	2.1
81.07056	32.4
81.99413	1.1
83.04977	17.7
83.08600	3.4
85.06526	2.4
88.95331	1.3
91.05481	20.3
93.03406	48.1
93.07044	76.7
95.04971	13.3
95.08609	39.3
97.02881	1.9
97.06536	21.8
98.20860	1.7
101.07326	1.2
103.58872	1.1
104.76920	1.0
105.07028	10.6
107.04980	8.0
107.08595	100.0
108.08870	1.3
109.06518	12.5
109.10161	49.8
110.03665	7.0
110.07269	1.1
111.04445	75.1
111.08081	17.7
111.11705	1.0
111.55132	1.1
111.96859	4.8
117.07018	3.1
119.06052	2.6
119.08572	1.6
121.06511	3.1
123.08079	7.6
125.02357	1.5
125.05993	45.7
125.09644	12.4
127.25220	1.1
130.11232	7.4
134.06020	2.0
135.04414	3.3
135.07123	1.9
135.08073	19.7
135.11690	49.8
136.07588	5.5
153.01869	2.8
153.05455	24.1
153.06955	5.7
153.09088	19.4
153.10210	2.3
153.12746	28.7
154.04929	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03941	0.6
55.05512	6.5
56.96567	0.6
57.07079	1.3
65.03943	1.7
67.05507	89.8
68.05849	0.5
69.07069	5.2
71.53226	0.7
72.32406	0.5
77.70387	0.4
79.05497	4.6
81.03434	1.1
81.07057	37.6
82.11604	0.4
83.08629	1.4
89.06059	0.5
90.82278	0.4
91.05491	2.3
91.76318	0.5
93.07044	5.4
95.04980	2.1
95.08609	100.0
96.01500	0.5
96.08907	1.2
98.97578	0.5
105.07016	1.6
107.04967	0.7
107.08596	2.4
109.06528	1.4
109.10162	59.5
110.10487	0.6
113.08524	0.5
119.01794	1.5
121.52069	0.6
123.08053	2.0
123.11723	1.0
133.10150	1.0
134.05994	0.6
151.02821	1.1
151.03923	1.8
151.07547	5.1
151.08589	0.6
151.09647	0.5
151.11188	3.4
151.14824	12.5
152.07043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03952	1.0
55.01868	0.5
55.05511	6.0
56.96553	0.8
57.07079	1.3
65.03940	2.0
67.05511	85.0
68.05849	0.7
69.07075	4.6
69.25076	1.4
69.25504	2.4
72.74241	0.4
73.02924	0.4
79.05507	5.3
81.03416	0.6
81.07064	47.9
83.04987	0.9
83.08627	1.5
85.82542	0.4
89.06047	0.8
91.05496	4.6
93.07053	5.6
95.04972	1.2
95.08615	100.0
96.08950	1.1
101.00766	0.4
105.07059	3.5
107.04969	1.1
107.08592	4.4
108.05729	0.5
109.06544	2.3
109.10166	53.2
110.01281	0.7
110.10501	0.6
119.01781	0.6
123.04461	0.8
123.08111	2.2
123.11712	0.9
128.02374	0.6
133.06494	0.5
133.10130	2.7
135.04379	0.5
151.02864	0.5
151.03912	2.0
151.05009	0.8
151.07567	7.7
151.09467	0.5
151.11195	5.1
151.14828	12.3
152.07031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
51.87357	0.4
53.03949	1.4
55.01881	1.9
55.05263	0.7
55.05513	6.6
57.03436	1.0
59.05009	4.8
60.11467	0.4
65.03949	3.4
67.05511	5.9
68.99812	0.7
69.03435	8.5
69.07079	2.8
69.63190	1.9
70.94257	1.3
70.95890	0.5
71.04990	3.7
73.06564	2.2
79.05498	10.4
81.03430	0.8
81.07061	12.9
83.04994	4.3
83.08618	1.8
85.06566	0.7
87.04510	0.5
91.04921	0.5
91.05482	7.1
93.03415	4.5
93.07050	15.5
95.04972	9.7
95.08600	1.9
97.02911	1.3
97.06537	3.8
97.10188	1.0
105.07024	2.7
107.04956	3.0
107.08599	19.4
109.06533	4.6
109.10175	1.2
110.03658	0.6
110.07325	1.5
111.04458	9.2
111.08087	100.0
111.96877	0.9
112.08414	0.9
114.92333	0.4
115.05466	0.5
117.07023	1.2
119.06042	1.1
121.02827	0.5
125.06022	3.7
125.09637	46.5
126.09927	0.6
129.81516	0.4
129.97844	0.4
135.04436	1.0
135.08067	7.1
135.11711	4.1
136.07500	0.8
138.03055	0.4
153.04166	0.8
153.05342	3.7
153.09114	22.8
153.12723	2.6
154.08649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03947	2.3
55.01881	5.0
55.05514	9.5
56.96577	1.2
57.03443	4.6
57.06565	1.0
65.03931	3.9
65.20742	0.9
67.05510	55.8
69.03432	7.9
69.07060	4.1
71.04996	2.4
71.20120	0.9
71.53036	1.2
79.05499	39.4
81.03433	1.9
81.07064	55.6
82.07392	1.1
83.04992	16.2
83.08605	1.0
85.06559	2.3
91.05487	54.9
93.07056	40.1
95.04982	14.1
95.08614	19.4
96.01567	1.0
97.06546	2.1
98.97575	1.2
101.00769	1.1
105.07043	75.7
106.07354	1.3
107.04977	2.6
107.08604	100.0
108.05791	1.1
108.08929	1.3
109.06528	13.6
109.10168	37.8
110.01271	1.6
110.78847	1.0
116.98614	1.0
119.01775	2.2
123.04458	1.6
123.08078	7.9
123.11731	10.2
128.02312	2.1
130.52649	1.5
130.74208	1.0
131.08594	3.8
133.10144	87.2
134.10446	0.9
151.02846	1.7
151.03981	2.2
151.07607	11.5
151.11197	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.94632	0.8
53.03939	3.5
55.01888	5.1
55.05509	7.6
56.96553	2.7
57.03430	3.2
57.07071	2.2
61.02911	1.1
61.11238	0.8
65.03929	3.3
67.05509	43.1
68.95280	1.2
69.03424	3.9
69.07064	3.4
71.04982	3.1
71.52429	1.1
74.40094	0.8
79.05498	29.5
80.15393	0.9
81.03436	5.0
81.07062	56.2
81.95989	0.9
83.04980	4.6
83.08615	1.5
85.06542	2.7
89.00768	1.0
89.06023	1.0
89.15279	1.0
90.01614	1.1
91.04912	2.4
91.05484	45.8
93.07047	33.3
95.04975	12.4
95.08614	24.2
97.06556	1.7
98.97587	2.5
101.00751	1.1
102.00139	0.9
105.03391	1.2
105.04561	0.9
105.07036	59.5
107.04980	4.3
107.08600	55.4
108.02106	1.2
108.05750	2.0
109.05797	1.9
109.06520	24.5
109.10159	25.9
110.01299	1.7
111.04330	1.1
119.01809	2.7
119.04931	1.3
119.06083	1.1
121.10139	1.8
122.04890	0.9
123.04442	3.1
123.08088	14.9
123.11716	12.5
124.07649	1.1
124.69415	1.0
128.02319	1.5
131.08568	1.9
133.02881	1.1
133.06526	1.5
133.10138	52.5
136.05284	1.4
136.08827	1.3
151.02869	1.9
151.03917	8.3
151.05032	2.3
151.07573	19.2
151.11192	100.0
152.11584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03938	3.9
55.01861	1.9
55.05513	7.6
56.96577	1.2
57.07066	1.8
63.12132	1.2
65.03619	1.6
65.03943	25.3
66.04269	1.1
67.05512	5.8
69.07074	10.5
76.00960	1.1
77.03926	1.4
79.05494	29.8
81.07063	19.6
91.05488	18.5
93.03416	6.3
93.07047	63.1
95.04982	3.2
95.08594	3.7
103.05482	3.2
105.07027	6.9
106.97282	1.4
107.04964	1.9
107.07880	2.7
107.08601	48.5
111.04459	4.6
113.43268	1.1
119.08599	1.7
121.02861	37.2
121.03980	13.1
121.06520	3.0
121.10144	19.0
123.08089	1.2
131.04892	1.7
131.08575	3.2
149.02345	100.0
149.06026	3.8
149.09647	8.0
149.13272	34.5
149.14496	0.7
150.02675	2.1
150.05540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
51.40524	1.9
53.03943	4.4
55.05505	9.0
57.07080	3.9
64.54906	1.9
65.03946	27.3
67.05495	5.6
69.07076	17.4
70.91301	4.4
79.05495	20.9
81.07058	17.8
82.86777	1.8
84.43672	2.1
91.05485	27.0
93.03410	7.2
93.07050	67.0
95.04964	2.7
95.08604	4.2
103.05472	2.5
105.04568	2.1
105.07032	22.9
107.08601	100.0
109.06502	2.6
111.04433	4.1
119.06083	2.3
119.08562	5.5
121.02869	34.8
121.03986	7.9
121.06530	3.2
121.10156	64.0
121.11037	3.2
123.08076	3.6
131.08597	3.3
149.02356	92.8
149.06001	3.9
149.09610	10.6
149.13272	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03937	2.0
55.01859	2.3
55.05503	3.2
65.03943	26.4
65.04286	1.3
67.05511	10.1
69.07062	5.1
71.52037	1.2
71.52414	0.7
72.95237	0.7
79.05493	13.7
79.05925	1.4
81.07057	24.4
83.08631	1.0
84.85358	0.7
91.05488	9.6
93.03415	7.4
93.07052	27.1
93.07645	1.5
95.04984	1.5
95.08614	4.2
98.03678	1.1
103.05472	3.3
105.04498	0.9
105.07036	3.1
107.01299	1.1
107.04954	2.0
107.08595	19.0
111.04440	3.5
121.02866	40.0
121.03972	12.5
121.04828	0.8
121.06502	2.8
121.10141	7.3
122.03134	0.7
131.04924	2.3
131.08583	1.3
135.16997	0.7
143.20978	0.7
149.02347	100.0
149.05939	4.2
149.09625	7.5
149.13260	20.7
149.75957	0.7
150.02689	1.1
150.09146	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03936	2.8
55.01861	1.9
55.05510	1.5
57.63874	0.8
61.45592	0.9
65.03944	13.5
69.03426	0.9
69.07077	0.9
69.82403	4.0
79.05502	13.1
81.07047	2.5
91.05497	14.4
91.06036	1.6
93.03400	3.5
93.07048	30.2
95.04960	2.1
103.05483	5.4
105.04527	1.3
105.07039	20.0
106.07822	2.5
107.05001	1.2
107.08596	5.0
109.06486	1.1
111.04455	2.3
115.49857	0.9
116.06236	2.0
119.08584	2.8
121.02019	1.3
121.02878	21.3
121.03983	5.1
121.04716	1.0
121.06501	9.4
121.10155	19.9
123.08071	1.7
129.07021	1.3
131.04887	1.6
131.08589	4.1
133.07625	1.0
149.02359	52.4
149.06004	3.5
149.09630	100.0
149.13324	2.4
150.09990	1.9
169.03459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03941	2.5
55.01861	2.0
55.05512	1.5
63.65746	0.8
65.03614	1.6
65.03943	24.3
67.05495	2.6
69.07066	1.5
71.11929	1.8
79.05497	14.5
81.07037	2.5
91.05480	16.5
93.03400	6.9
93.07048	26.2
95.04971	1.5
102.01325	0.9
102.76773	1.0
103.05460	4.7
105.04515	1.5
105.07040	15.4
106.07819	1.6
107.04957	2.9
107.08595	4.5
108.05726	0.9
109.06521	1.6
111.04456	3.1
111.73367	0.8
116.06215	3.2
119.08571	3.4
121.02867	40.4
121.03970	10.8
121.06499	8.1
121.10155	18.2
123.08074	1.3
129.07034	1.0
131.08577	4.9
133.07605	1.2
148.48482	0.8
149.02348	100.0
149.06027	4.2
149.09627	81.8
149.13257	2.5
150.02682	2.2
150.10075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03936	1.8
55.01861	1.9
55.05508	4.3
57.49335	1.0
59.62611	1.0
62.75627	1.1
65.03619	1.5
65.03945	27.1
67.05233	1.0
67.05513	12.1
68.43322	1.0
69.07075	8.7
71.08632	1.1
71.52550	1.4
74.37439	0.9
79.05070	1.7
79.05503	22.3
81.07059	43.7
83.08607	3.4
91.05489	9.8
93.03416	6.2
93.07050	37.1
95.04967	1.9
95.08617	6.2
97.15547	1.0
98.03699	1.6
103.05431	2.3
105.03400	12.2
105.04530	1.0
105.07027	4.3
107.04971	6.2
107.08598	33.2
111.04460	3.0
121.02877	37.3
121.03986	16.1
121.06509	2.3
121.10148	12.4
130.73029	1.1
131.04932	2.6
149.02356	100.0
149.05989	8.4
149.09610	4.8
149.13271	48.5
150.09163	1.2
150.13765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03949	1.9
55.01875	1.8
55.05499	2.2
61.15962	0.7
65.03946	28.2
65.04293	1.8
67.05507	9.2
69.07071	5.6
70.51697	0.7
70.80368	1.4
79.05502	15.2
81.03398	0.7
81.07064	24.0
83.08631	1.6
91.05476	7.2
91.74758	0.7
93.03409	6.2
93.07054	26.1
93.07645	1.2
95.04939	1.1
95.08611	4.3
103.05463	2.2
105.07054	3.1
107.04960	5.6
107.08596	18.7
108.04501	2.1
111.04472	3.1
121.02878	41.5
121.03979	11.0
121.06536	2.6
121.10151	9.5
126.05579	1.2
131.04953	2.6
131.08597	1.6
149.02354	100.0
149.05994	3.5
149.09657	10.2
149.12073	1.0
149.13258	19.1
150.02667	1.5
150.03763	1.0
158.59940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03957	1.7
55.01871	1.6
55.05505	2.4
56.33178	0.6
56.67895	0.6
60.61848	0.6
65.03944	28.4
67.05511	9.1
69.07063	5.7
70.60394	2.4
79.05074	1.2
79.05501	14.9
81.07059	21.6
83.08632	1.3
91.05487	8.7
93.03405	6.5
93.07049	26.6
95.04987	1.3
95.08625	3.6
98.03694	1.7
98.20818	0.7
103.05477	2.7
105.04530	0.8
105.07019	3.0
107.04980	3.6
107.08603	17.0
108.04475	1.2
111.04453	3.6
119.06105	0.9
119.08575	0.9
121.02872	40.5
121.03976	12.6
121.06502	2.4
121.10165	7.0
122.03224	0.9
131.04936	1.7
131.08577	1.2
133.10103	0.7
149.02353	100.0
149.06079	3.6
149.07068	1.4
149.09644	6.4
149.13260	19.2
150.02646	1.0
150.09123	1.5
167.03450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.72338	0.8
53.03939	1.8
54.37269	0.8
55.05514	12.3
61.92633	0.8
64.92809	1.6
65.03938	2.4
67.05499	2.8
69.07071	4.9
69.47142	5.9
70.86307	0.9
71.01343	0.9
77.03934	0.9
79.05481	5.5
81.07064	1.9
83.06908	2.0
84.04488	1.4
84.08113	1.3
91.05487	45.6
91.38847	0.9
93.07033	2.8
99.89718	0.8
101.07964	4.5
102.05568	1.0
103.05463	2.9
105.07037	100.0
107.08609	2.0
110.98770	0.9
117.07033	8.5
119.04962	10.2
119.06858	3.5
119.08588	84.6
120.08987	1.0
122.15634	0.9
123.96459	3.6
130.07780	1.2
131.08537	1.8
132.08435	0.9
132.09369	2.4
145.10153	7.7
147.04431	11.2
147.05504	2.0
147.08029	7.8
147.11693	68.5
148.12024	1.4
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	3-Isochromanone
Peak:m/z	Relative Intensity
53.03939	5.2
55.01879	1.9
55.05519	1.3
55.77270	0.7
56.96565	14.1
65.03944	13.6
67.05499	3.3
69.03444	1.2
69.07071	0.9
70.98112	1.0
71.51485	0.7
77.03922	1.5
79.05499	38.4
81.03419	1.2
81.07047	1.0
83.04987	2.2
85.04855	2.2
91.05486	12.3
93.02900	0.8
93.03412	4.3
93.07047	33.4
94.06590	5.0
95.04964	3.5
97.99135	1.1
98.03707	1.1
98.97583	1.2
100.99139	1.4
101.00857	1.1
102.03367	4.8
103.05469	100.0
104.05800	2.4
105.04506	2.4
105.07015	3.2
106.06561	1.4
107.04960	29.6
109.05161	0.7
111.03859	2.9
111.04533	4.2
115.04138	1.1
119.00182	2.1
119.01853	0.9
121.02879	22.7
121.03979	6.3
121.06505	21.2
121.10102	1.5
122.06041	2.2
124.04655	3.9
125.51656	0.9
131.04913	9.6
131.05707	0.8
133.05177	0.8
144.80064	0.8
149.02350	54.6
149.05991	11.1
149.09631	1.8
150.05556	6.2
150.07751	14.1
163.02742	1.5
169.03400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03936	2.3
55.01869	2.2
55.05509	1.6
62.65181	0.7
65.03619	0.8
65.03943	13.4
67.05492	0.9
70.95876	1.6
77.03954	0.8
79.05498	12.8
81.07059	2.9
89.03896	0.8
91.05490	17.5
93.03420	2.8
93.07049	32.4
95.04973	2.1
103.05477	7.2
105.04560	1.0
105.07040	20.9
106.07820	2.4
107.04940	1.3
107.08593	2.2
109.06513	2.1
111.04440	1.8
115.05482	1.3
116.06226	2.4
119.04996	0.8
119.08578	2.9
121.02020	1.0
121.02875	20.0
121.03996	7.0
121.06508	10.6
121.10154	19.4
123.08054	1.1
131.04912	4.0
131.08557	2.6
133.07620	1.9
146.39636	0.8
149.02357	49.3
149.06015	5.6
149.09630	100.0
150.02710	1.4
150.10004	1.8
155.57446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.84815	0.6
53.03936	2.1
55.01858	1.1
55.05511	0.9
60.51511	0.8
65.03954	3.5
67.05499	0.8
69.03417	0.6
70.97327	1.1
77.03915	0.9
79.05498	12.8
81.07046	1.7
91.05482	14.1
91.06029	1.0
93.03404	1.3
93.07047	26.8
95.04977	1.8
100.06319	0.5
103.05479	3.2
105.04521	1.2
105.07031	17.1
106.07796	2.4
107.04962	0.9
107.08591	1.5
109.06524	0.8
115.05498	0.6
116.06216	1.0
116.45172	0.6
119.08595	3.1
121.02868	6.6
121.03992	2.3
121.06512	4.6
121.10146	17.1
123.08076	1.4
129.07031	0.7
131.08562	1.8
133.07602	1.3
134.07297	0.7
145.14694	0.8
149.02350	17.3
149.03517	1.1
149.09628	100.0
150.09970	2.2
156.45943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05509	0.6
65.03940	5.9
70.04621	2.5
83.06897	1.0
84.04510	1.0
84.08136	0.7
91.05486	81.8
91.95782	0.6
92.05790	0.9
93.07094	0.7
94.19772	0.7
101.07963	1.4
103.05498	0.5
105.07033	6.7
107.08587	0.8
114.70708	0.6
117.07043	0.8
119.04948	100.0
119.08589	8.0
120.05255	1.5
132.09364	0.7
141.14043	0.6
145.10158	1.0
147.04422	56.3
147.08296	1.1
147.11681	5.2
148.04836	0.8
153.76897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
50.68245	1.2
53.38882	1.1
53.62576	1.2
54.93751	1.2
55.01864	4.0
55.05508	2.8
56.05025	4.2
56.96308	2.2
56.96568	41.6
57.03430	3.5
58.06581	2.6
61.02917	5.5
64.92791	2.1
65.03928	5.6
65.52155	1.4
66.50562	1.1
66.59075	1.1
67.05485	1.8
68.00245	1.8
69.03422	5.0
69.85323	5.4
70.98124	4.6
71.01314	1.6
71.02970	2.0
71.04993	2.1
71.12736	1.3
71.95255	1.8
72.08166	14.2
72.19820	1.1
73.02920	1.9
73.08470	7.8
74.06081	2.9
75.01054	2.1
77.00784	3.2
81.03423	1.5
81.07051	1.9
82.01438	4.0
82.91232	1.1
83.00825	1.2
83.06881	1.4
84.01553	4.4
84.04002	1.3
84.04506	51.4
84.08145	92.6
85.02874	3.6
85.08456	2.2
87.04417	1.5
88.02631	1.2
88.07631	1.0
89.00779	3.9
90.80621	1.3
91.05484	73.2
94.01764	1.6
94.06544	1.1
95.04995	1.4
96.01536	2.0
97.02902	3.7
97.99174	4.4
98.01298	8.2
98.97588	28.0
99.04447	3.3
100.02495	8.2
100.52431	2.1
101.02554	1.7
101.07951	3.4
101.52373	1.2
102.05524	6.6
103.00557	2.3
103.02380	2.9
104.90821	1.6
105.00229	2.2
106.00985	1.5
106.01778	3.8
106.96574	5.2
107.01824	2.2
107.04946	1.4
109.06489	1.8
109.52967	1.3
110.01290	1.3
110.03191	1.2
110.97542	2.2
112.01033	1.6
112.11231	3.0
112.99129	2.5
113.11582	4.0
114.04050	1.7
115.02337	13.0
116.02106	1.3
116.98609	9.7
117.00215	3.3
117.01843	7.2
118.00974	1.5
118.03481	1.6
119.01883	6.4
119.04942	100.0
120.05276	2.5
120.08103	1.6
123.51811	1.9
123.96481	5.8
124.02850	9.6
124.07610	1.9
126.00747	4.4
127.53991	1.2
130.05017	11.9
130.08630	15.8
131.00130	4.4
131.01923	2.9
133.03416	2.2
134.00491	1.7
137.06003	4.0
140.78529	1.1
142.03499	1.5
143.01021	1.5
146.06076	1.6
146.91882	2.7
147.03233	2.7
147.04413	57.5
147.08185	2.1
147.11446	1.5
148.04893	1.4
149.01181	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.26866	0.6
60.96940	0.6
70.13087	0.6
71.12052	1.0
71.12373	0.6
72.08155	9.6
82.06593	5.1
84.08156	0.9
91.05489	21.0
100.04799	1.3
100.07623	14.4
103.05473	0.6
110.61230	0.6
112.11243	2.2
117.05772	4.5
118.06551	100.0
119.04962	1.2
119.06872	1.5
128.04980	14.7
128.07007	0.8
146.06024	58.7
146.08113	6.0
147.06335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.03945	0.3
69.03425	0.4
69.81939	1.1
71.04974	0.3
72.05358	0.2
72.08154	1.2
79.05470	0.2
82.06583	12.5
86.06057	0.3
91.05487	17.9
98.20860	0.4
100.04797	1.1
100.07623	33.0
101.07957	0.3
105.07034	1.0
109.35125	0.2
112.27422	0.2
117.05770	3.7
117.06618	0.3
117.06941	0.3
118.06548	100.0
119.04980	0.4
119.06911	1.5
119.08582	1.3
128.07097	1.4
139.87770	0.2
146.06032	18.6
146.08109	12.7
146.10539	0.7
147.04442	0.4
147.06407	0.2
147.08223	0.4
147.11668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54344	0.5
69.65932	1.9
69.66362	1.6
72.08155	6.9
82.06579	5.7
82.54204	0.5
84.08141	0.7
91.05489	16.6
92.60213	0.7
100.04786	1.9
100.07620	17.0
112.11235	1.9
117.05795	3.1
118.06544	100.0
119.04913	1.2
119.06885	2.0
128.04057	0.7
128.04965	12.9
146.06020	52.6
146.07918	6.6
147.04413	0.8
147.06351	1.2
163.66661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	0.7
56.96570	13.5
70.12026	2.1
71.95276	4.7
98.97590	100.0
110.56431	0.6
110.86007	0.5
116.98628	37.9
134.99661	8.4
136.60649	0.5
137.91280	0.5
140.00195	1.6
144.03207	0.5
153.00644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95378	5.8
51.48200	6.1
58.08987	5.8
63.31773	5.2
67.06589	5.6
70.92344	13.3
98.18150	6.0
100.97263	6.4
101.00887	56.6
108.18427	6.1
119.01931	100.0
124.02480	7.9
127.86445	6.0
136.48381	6.8
137.02943	10.8
142.03510	52.6
148.68398	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.6
56.30214	3.0
56.86607	2.7
56.96554	12.9
57.03426	7.3
61.10778	3.4
70.46208	9.1
70.91279	3.5
70.99833	3.0
82.99825	3.3
83.00814	3.2
91.02404	3.8
95.17541	3.4
98.20705	3.8
98.97566	14.0
100.02473	4.2
100.97163	5.2
100.98045	3.1
101.00283	5.1
101.00894	59.2
101.02570	4.4
116.27700	3.0
117.01884	4.2
119.01933	100.0
124.02512	8.4
126.62623	3.2
132.05037	3.3
137.02951	12.3
142.03517	44.2
160.04538	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	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.12993	0.2
56.96568	0.3
67.02979	0.2
71.02525	0.4
71.02847	0.2
88.53497	0.2
91.05487	1.4
92.02494	0.4
94.04063	2.5
102.83489	0.2
109.05128	0.4
112.05080	0.2
119.03564	6.9
119.04935	0.5
131.01915	0.3
136.06195	100.0
137.04610	3.1
137.06519	0.9
140.74693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02395	0.6
53.03944	0.9
62.72879	0.5
65.03932	0.7
66.04729	2.8
70.30595	1.5
72.17047	0.4
79.05496	4.2
81.07069	4.3
91.05474	3.2
94.04192	24.6
103.23056	0.6
105.03429	0.5
107.04945	1.4
109.06529	2.8
119.04992	0.5
122.03655	45.2
137.05983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.01675	0.7
51.62954	0.8
53.03950	6.3
55.01873	6.5
55.05523	4.1
57.03426	1.7
65.03948	9.9
67.05512	54.4
68.99783	2.9
69.03088	1.1
69.03436	15.8
69.07068	2.1
70.66620	1.8
70.66959	1.3
79.05501	34.8
81.03423	5.5
81.07063	93.8
83.04988	3.1
87.49597	0.8
91.05492	67.6
92.05746	1.3
93.07060	6.6
94.04199	15.9
95.04984	15.9
95.08073	1.0
95.08614	11.9
97.06530	0.8
100.58222	0.9
103.05471	1.2
105.04526	1.4
107.04960	19.8
107.08593	3.8
108.05786	0.9
109.02919	1.6
109.06525	100.0
109.10162	38.7
110.06035	1.1
110.06841	1.0
111.04522	1.0
116.48776	0.8
117.07035	2.6
117.22092	0.8
119.04946	12.4
119.06042	3.3
119.08585	13.3
121.03947	1.4
121.06508	4.7
122.03642	8.6
122.07294	49.1
135.08047	1.4
137.05986	72.2
137.09627	98.7
138.05496	7.2
138.06415	1.2
138.09946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03931	3.4
55.01856	3.8
55.05513	7.1
56.56953	0.8
57.03426	1.1
65.03947	8.3
66.04707	2.9
67.05508	51.9
68.05855	1.3
68.99775	3.0
69.03431	10.7
69.07061	3.0
69.14640	6.1
69.15062	4.3
79.05498	30.7
81.03428	2.0
81.07060	86.8
82.07375	1.7
91.05486	50.0
93.07045	4.5
94.04186	21.5
95.04975	9.4
95.08612	10.5
98.20795	1.9
107.04971	7.6
107.08582	3.8
109.06522	60.3
109.10168	25.9
119.04952	11.4
119.05881	1.2
119.06048	1.1
119.08633	4.4
122.03657	24.9
122.07298	2.5
128.59296	0.9
137.05980	100.0
137.09616	29.1
138.05492	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.27829	0.2
53.03936	0.3
57.47300	0.1
57.47587	0.2
58.55313	0.2
65.03938	0.6
67.05502	0.5
70.19461	0.6
77.70981	0.1
78.03455	0.7
79.04200	0.2
81.46250	0.2
83.96150	0.1
92.05012	6.4
93.05795	0.4
94.06573	12.3
95.06871	0.2
96.04504	1.5
110.06044	6.3
123.23020	0.2
136.03940	0.2
138.05505	100.0
139.05824	1.5
154.05023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
53.62981	3.1
55.01862	3.5
55.05511	74.0
57.04566	4.0
57.07085	15.8
58.02946	5.9
62.74174	3.5
66.70595	3.5
69.03432	4.7
69.07075	46.1
71.52785	3.4
81.07040	4.6
83.06126	4.3
83.08620	100.0
84.08158	4.5
93.04556	4.5
95.06072	4.3
97.06473	3.2
97.10174	17.9
98.07175	21.7
98.09638	3.6
98.98504	8.6
99.05565	5.5
111.09361	3.4
121.04011	15.1
122.07151	16.3
131.30508	3.6
139.03978	3.6
139.04958	8.1
139.05930	5.8
139.07555	6.3
139.08664	8.1
139.09740	10.0
139.11320	5.3
139.12227	16.7
140.08192	14.4
146.97780	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	134.0603
Annotation	Oxindole
Peak:m/z	Relative Intensity
53.03943	0.5
56.96563	0.6
63.98074	0.4
69.66487	1.8
74.02446	0.5
76.88421	0.3
78.04683	0.5
79.05503	9.9
82.55415	0.4
89.03920	2.1
89.71268	0.3
91.05503	0.6
93.07082	0.4
95.04991	0.5
105.02721	0.8
105.03399	9.5
105.05310	0.8
105.07031	0.4
106.06567	57.8
107.04971	2.0
107.06865	0.8
107.08616	0.7
116.04999	0.7
117.03385	0.6
123.07977	0.4
134.06032	100.0
135.04431	3.0
135.06357	2.1
135.08044	0.7
146.82590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0603
Annotation	Oxindole
Peak:m/z	Relative Intensity
53.03959	0.5
70.95869	1.1
71.57233	0.4
79.05075	0.8
79.05499	11.1
91.05490	0.5
105.03403	7.7
105.04494	0.6
106.06563	56.3
107.04960	1.6
107.06913	0.7
116.04983	1.1
134.06026	100.0
135.06372	1.5
143.92926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03944	6.6
55.01872	23.6
55.05516	4.7
55.35454	2.9
55.60497	2.9
61.24808	2.9
65.03931	10.9
67.05507	15.1
69.03434	25.8
71.12513	5.5
79.05499	70.4
81.07062	3.7
91.05487	97.8
93.07071	30.1
95.04953	12.3
105.04514	4.4
105.07039	39.4
107.04947	8.9
107.07881	5.6
107.08603	100.0
109.06522	11.8
111.93998	2.9
115.05476	39.0
117.07025	31.2
119.03519	4.3
119.06065	13.2
120.13736	2.8
135.04459	6.8
135.06506	3.7
135.08063	92.9
135.11688	11.1
136.02196	23.2
136.06197	72.5
136.11186	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	6.3
55.05508	7.9
56.96564	2.6
57.07051	1.6
65.03936	2.9
67.05511	3.3
67.20085	1.4
69.07057	2.6
71.21677	2.8
79.05080	1.7
79.05504	21.5
81.07051	2.9
90.06357	1.4
91.05491	46.9
93.07050	47.0
95.04985	2.9
95.08570	2.1
105.04514	1.8
105.07043	20.4
107.04950	5.8
107.08605	100.0
109.06502	6.3
115.05437	2.2
115.97565	1.2
117.07033	4.4
119.06076	3.7
119.08601	20.9
120.09390	6.6
133.10121	2.0
135.04440	5.5
135.06441	1.9
135.08070	9.2
135.10706	2.8
135.11703	43.7
136.02153	2.8
136.06200	9.9
136.07707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	5.3
55.01871	9.9
56.96567	47.7
57.03438	56.6
58.99854	5.8
61.02926	8.8
65.52201	5.5
69.03431	21.3
70.34843	8.9
70.35204	9.6
70.99883	6.7
72.52990	8.9
73.02929	26.3
77.52174	12.1
78.52969	22.6
79.02166	10.9
79.05500	6.1
80.52736	6.9
81.03409	13.1
82.01463	33.1
82.99878	10.2
85.02898	9.0
85.53736	16.3
86.52706	65.2
87.02792	7.1
88.02689	23.8
88.07623	4.6
90.52942	4.6
92.52721	9.6
92.97730	4.8
93.01905	23.9
93.53497	11.2
94.99910	6.8
95.53240	28.6
97.01367	4.8
98.03495	7.3
98.52726	6.5
98.97613	11.1
99.53488	15.7
100.02483	54.2
101.00885	66.8
101.53242	6.0
102.00943	7.5
102.02401	25.1
104.52667	8.7
107.04929	5.8
111.02149	5.1
111.02936	16.8
113.00875	21.3
113.53235	5.9
115.02428	11.8
116.98669	4.8
118.03526	18.1
119.01929	68.0
119.53402	5.2
119.97347	13.9
124.02479	39.0
128.01921	5.4
128.97803	21.0
131.01912	46.2
133.03506	10.1
134.06039	11.0
135.04485	8.1
136.02409	6.4
137.98369	12.4
142.03503	100.0
143.01878	25.6
143.03679	10.8
145.03433	5.7
147.05096	5.8
154.03511	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.1
55.78451	6.6
56.96568	32.1
57.03442	59.9
57.36245	5.8
58.12524	6.0
58.26061	6.4
60.61411	6.0
61.02911	6.9
65.52189	7.2
68.02658	6.6
69.03421	15.8
70.50648	7.7
71.50560	6.9
71.50951	7.6
72.52964	15.0
73.02914	25.6
77.52171	28.8
78.52961	18.8
79.02145	10.5
79.51196	11.0
81.03423	12.7
82.01449	37.2
82.85979	6.0
82.99831	18.4
85.02901	9.9
85.53746	14.5
86.52703	85.8
87.02790	12.2
88.02669	22.5
88.51699	37.9
89.01721	10.2
89.51542	7.7
90.52950	6.7
93.01870	21.9
93.53492	7.8
95.53216	27.7
98.01287	8.1
98.97575	9.6
99.53454	14.1
100.02487	71.0
101.00893	83.6
101.02557	11.7
102.00954	7.8
102.02402	31.0
110.52811	9.8
111.02901	14.9
111.80347	6.6
113.00883	30.8
113.53178	14.1
118.03510	16.6
119.01920	71.6
119.48986	9.9
119.53352	12.2
120.02001	10.2
121.01631	12.3
122.53740	11.3
124.02507	32.3
124.03253	6.9
125.99184	7.3
128.49498	66.8
128.97849	7.1
128.99524	13.3
131.01927	39.5
133.10997	6.4
134.07021	6.5
136.02451	7.6
137.02928	7.5
137.50020	73.0
138.00037	25.2
138.49939	20.0
140.00220	12.5
142.03500	100.0
143.01868	18.6
143.03583	12.6
144.03186	10.9
149.00786	19.9
154.03468	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05025	0.9
57.07077	43.3
58.07392	1.0
66.68275	0.8
69.03429	5.4
71.24540	0.8
71.24883	1.0
74.09295	1.5
74.09719	35.5
84.04504	6.6
84.08143	56.2
99.90379	0.6
103.05488	0.7
112.07601	14.9
130.05008	1.1
130.06589	3.3
130.08636	15.8
130.09474	1.5
130.15919	100.0
131.16222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02383	0.4
51.88162	0.3
53.03949	3.2
68.05100	0.3
70.89716	0.7
77.03930	1.4
78.03428	0.4
86.09712	4.0
95.04970	2.8
96.04501	0.9
104.04996	49.9
105.03412	1.2
105.04528	1.1
105.05299	0.6
105.07034	0.6
112.86887	0.3
132.04457	100.0
133.04782	1.5
134.52348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03951	3.6
61.05123	0.2
69.07072	0.5
70.51059	0.9
71.86327	0.2
77.03932	1.1
83.16553	0.3
84.08143	0.4
86.09713	5.4
86.46306	0.3
90.71993	0.3
90.90378	0.4
95.04970	2.7
96.04491	0.8
98.21436	0.4
104.04996	50.1
105.03390	1.2
105.04527	1.4
105.05297	0.6
105.07037	0.6
114.21918	0.2
129.03383	0.2
132.04457	100.0
133.04790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
61.30060	0.3
69.07069	5.7
70.11635	1.2
70.11992	0.3
86.09708	100.0
87.10028	0.9
114.32517	0.3
132.10172	1.5
143.64098	0.3
147.43221	0.3
151.61502	0.3
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
51.50326	0.5
53.03941	1.6
55.05521	2.8
58.09062	0.5
62.09898	0.8
67.05496	0.8
70.34490	1.6
74.63036	0.6
77.03941	0.7
77.21294	0.5
79.05495	5.8
81.04551	1.1
87.10023	0.7
91.05487	18.9
93.07056	4.9
95.04951	0.9
103.05489	2.6
105.03399	0.8
105.07037	65.8
106.07341	0.8
107.08621	0.9
112.02193	2.4
113.02993	1.2
114.98812	0.6
115.05456	4.9
116.06265	1.4
117.07010	4.0
118.07813	5.8
123.07950	2.9
131.08577	7.5
133.02904	1.0
133.06622	4.8
133.10138	100.0
134.10457	1.4
144.04765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02359	0.9
53.03936	2.0
54.03442	0.6
55.01854	1.1
55.05504	3.0
55.11195	0.6
56.05029	0.8
56.96547	0.7
61.59034	0.6
65.03931	0.8
66.31607	0.7
67.66668	0.7
69.03452	1.6
69.89400	1.8
69.89831	2.5
70.06592	1.9
71.05002	1.2
74.02431	0.9
77.03926	1.2
79.05499	5.8
81.04539	3.9
82.05318	1.3
87.10036	1.9
88.02232	1.3
91.05489	21.3
93.07050	7.2
95.04967	1.5
97.02859	0.9
103.05462	5.4
105.03401	0.9
105.07038	85.6
106.06561	0.8
106.07351	1.0
107.08619	1.0
112.02185	5.5
113.02980	4.0
115.05463	5.0
116.06300	1.0
117.07044	7.3
118.05440	0.8
118.07815	6.8
122.07169	0.8
123.07943	10.8
129.07042	1.0
131.08585	12.4
133.02843	1.7
133.04883	1.6
133.06493	8.5
133.07584	2.4
133.10136	100.0
134.06010	1.8
134.10461	1.6
144.04808	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	126.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01890	0.4
56.96582	0.7
59.78411	0.2
69.03446	0.3
70.17448	1.2
76.40999	0.2
80.05019	0.3
80.21234	0.3
81.03436	1.2
82.01453	0.5
82.06618	0.4
83.01584	0.3
84.01221	1.0
84.96065	0.5
84.99609	5.7
85.00191	0.4
85.01539	0.4
99.04433	0.6
100.02489	0.9
101.02571	0.3
102.00965	0.7
102.02215	1.7
102.53117	0.4
103.00649	46.2
103.01270	2.6
103.02602	0.9
108.04486	0.8
109.02887	1.5
111.53654	0.7
113.00181	0.5
116.02589	0.3
118.03441	0.3
120.02000	2.7
120.03288	0.4
121.01678	100.0
123.02074	0.6
126.01036	0.3
126.02212	1.4
126.05497	0.5
126.09138	0.5
127.03927	2.4
138.03004	0.4
139.02704	18.9
143.01895	0.4
144.02122	0.4
144.03250	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	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91464	0.3
53.03936	1.9
55.01860	1.3
55.05515	17.0
56.05039	2.7
57.03431	1.3
58.06592	0.6
67.05495	0.7
69.03444	3.1
69.05820	0.4
69.07069	0.4
70.06597	4.2
71.04989	1.4
71.21629	0.8
71.21961	0.5
79.05497	6.0
80.05044	2.0
81.03432	2.4
81.04561	0.4
81.07063	20.4
82.06594	0.6
83.04987	0.5
83.08625	6.7
83.25110	0.4
84.04504	1.8
84.08148	2.2
85.81194	0.4
91.05473	2.4
93.05788	1.2
96.04489	2.2
97.05283	11.8
98.06064	9.2
98.09696	7.8
99.04465	0.7
107.79176	0.4
108.04478	3.4
108.08122	12.1
109.02900	2.7
109.06525	20.4
111.06799	0.7
125.14291	0.4
126.05563	3.6
126.09161	100.0
127.03925	9.8
127.09512	1.1
129.01967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
55.93523	0.6
56.02223	0.4
57.03437	0.7
58.06595	0.7
60.04529	5.4
62.27024	0.4
63.38948	0.4
69.03430	0.9
69.07073	24.8
70.24097	1.4
71.05012	0.5
72.04518	1.4
76.23374	0.4
82.03738	0.7
82.06592	3.7
83.08620	0.5
84.08124	0.6
85.49241	0.4
86.09712	100.0
87.10045	0.8
96.71548	0.4
100.07642	1.9
107.75453	0.4
110.03211	0.9
110.06062	1.2
128.04262	3.5
128.06245	0.8
128.07068	3.7
128.10722	9.3
129.01860	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	129.0912
Annotation	Butyl acrylate
Peak:m/z	Relative Intensity
53.36171	1.2
57.07077	62.3
59.79097	1.0
59.89779	1.2
61.96984	1.0
65.42985	1.1
69.07069	2.5
70.91234	2.6
74.57413	1.2
84.04527	1.3
84.08150	11.7
85.06032	1.2
85.06544	25.6
87.04465	19.4
112.07584	2.4
112.11248	2.0
124.15877	1.1
124.67427	1.2
129.01852	5.3
129.09122	100.0
130.08655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03954	0.6
56.05043	0.6
57.02338	0.2
57.07075	0.3
60.35492	0.2
65.91367	0.2
66.64376	0.2
67.05524	0.2
69.03081	0.3
69.03436	3.3
69.07073	0.3
70.06601	0.3
70.32929	0.2
71.59013	0.2
74.09718	0.2
77.03918	0.3
81.03420	0.2
82.06573	0.9
84.04513	4.9
84.08150	58.1
85.08492	0.4
85.16197	0.2
91.05462	0.2
95.04984	0.5
98.13802	0.2
100.15209	0.2
103.05470	6.9
112.07613	9.2
122.95391	0.2
128.04996	1.4
130.06537	100.0
130.08614	16.6
130.15895	0.7
131.06854	1.4
131.08470	0.3
146.06023	0.7
149.60951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.87149	0.7
53.03941	3.0
53.25102	0.8
55.01875	0.8
55.05519	10.6
57.07074	0.7
58.28286	0.8
65.03939	1.8
67.05510	46.6
69.82241	0.8
70.68423	1.6
70.68769	1.1
72.20712	0.7
77.03947	1.1
79.05515	7.7
80.05029	6.3
80.06285	1.0
81.03429	6.0
81.07062	14.3
82.01445	1.7
83.04974	1.2
91.05481	2.3
93.07051	9.7
95.04980	29.6
95.08615	46.2
96.04527	1.3
100.02477	2.8
104.05110	0.7
105.07050	5.3
107.04963	1.8
108.05781	9.3
118.03547	1.0
121.06573	1.3
123.04491	3.2
123.05573	17.4
123.08081	100.0
123.11674	3.4
124.03964	5.0
124.08399	1.5
136.02780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03954	3.9
55.05517	10.7
57.07059	0.8
61.74150	0.7
63.07472	0.8
65.03932	2.1
67.05510	55.0
68.05852	0.8
69.07063	0.7
69.33240	4.8
69.33642	1.2
72.40533	0.7
79.05497	11.0
80.05022	4.6
80.06297	1.1
81.03422	6.5
81.07061	32.7
81.07534	1.8
82.01434	2.6
83.04993	0.7
91.05488	2.3
93.07054	12.1
95.04974	34.4
95.08614	47.0
96.04485	2.0
98.20779	1.7
98.39277	0.7
100.02496	4.3
103.05430	1.4
105.04497	0.9
105.07027	3.0
107.04938	0.9
108.05750	2.7
123.04474	3.0
123.05561	15.7
123.08075	100.0
123.11685	6.0
124.03945	4.6
124.08423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68111	0.8
51.02384	1.4
53.03711	1.2
53.03949	14.5
55.01860	2.8
55.05508	7.2
57.07082	5.7
65.03933	2.2
65.13062	0.8
67.05509	33.2
69.07054	2.8
70.75165	0.9
70.75504	1.8
77.03919	3.2
78.03450	1.4
79.05500	29.7
80.05020	17.1
81.03411	3.1
81.07061	96.0
82.01451	5.9
91.05476	3.8
93.07063	8.4
95.04975	100.0
95.08611	32.8
95.09098	0.6
96.04502	5.0
100.02494	12.1
103.05502	1.0
105.04521	6.1
105.07038	8.0
106.02974	1.2
108.05743	2.0
118.03532	5.0
119.01902	1.0
121.10140	1.0
123.04440	31.8
123.05551	58.3
123.08069	38.4
123.08949	0.6
123.11713	31.2
124.03958	13.2
140.03374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03942	2.6
55.05514	4.1
57.07075	3.2
65.03941	1.1
67.05508	16.8
67.28083	0.4
68.25263	0.4
69.07063	1.5
78.03453	0.9
79.05495	14.7
80.05025	5.1
81.03428	0.6
81.07059	100.0
82.01457	1.3
82.07402	0.7
91.05479	0.7
93.07047	1.6
95.04971	7.3
95.08615	12.1
96.04487	2.4
97.01473	0.3
100.02493	2.2
105.04539	0.4
105.07026	1.5
108.05756	0.8
108.09386	0.7
118.03482	0.8
121.10172	0.8
123.04463	3.0
123.05557	17.2
123.08068	15.6
123.08978	0.9
123.11713	20.1
124.03957	5.5
124.12068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56977	0.6
52.80189	0.6
53.03951	7.1
55.01880	2.2
55.05509	9.2
57.07078	5.5
65.03947	2.5
67.05510	48.7
69.07070	2.6
71.52190	0.8
72.16721	0.6
78.03452	2.1
79.05501	24.3
80.05022	23.9
80.05788	0.9
80.06274	0.6
81.03431	3.6
81.07061	100.0
82.01450	5.3
82.07410	0.9
83.08643	0.6
91.05494	2.9
93.07050	10.2
94.07843	0.9
95.04977	42.0
95.08612	45.1
96.04497	10.8
98.20507	0.6
100.02487	17.7
103.05501	1.5
105.04530	2.5
105.07027	7.1
106.02932	1.5
107.04969	1.3
108.05751	7.5
112.03975	1.2
118.03522	8.9
118.04317	0.8
119.01955	0.9
121.06519	1.3
121.10155	1.5
123.04472	11.6
123.05561	80.0
123.08072	77.0
123.11707	35.7
124.03956	27.3
124.05899	0.8
124.07581	0.8
124.08375	1.0
140.03447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59402	0.5
53.00298	0.4
53.03952	1.1
55.05516	18.1
56.05033	0.7
57.07082	6.8
59.94786	0.4
62.97379	0.4
67.05500	1.9
69.03438	1.1
69.04565	0.6
69.07072	100.0
69.41229	1.5
69.41654	2.3
70.07406	0.6
82.06593	1.0
83.05009	0.6
83.06115	6.1
83.08622	20.7
84.04504	1.3
84.05637	0.8
84.06449	1.1
84.08146	0.8
94.78236	0.4
97.02886	2.2
108.04514	1.6
125.02393	0.6
125.04315	3.0
125.06023	1.3
125.07155	3.7
125.08286	3.2
125.09084	10.4
125.10783	2.3
125.13248	0.5
126.05519	1.5
126.09182	1.3
126.10306	0.4
138.70038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.8
58.99858	1.4
66.90363	0.9
70.71976	1.4
70.72292	0.8
70.75549	0.7
73.16788	0.7
75.53284	0.8
82.01451	58.6
82.99834	1.3
100.02490	100.0
101.00882	8.7
101.02561	1.3
118.03532	26.2
119.01930	12.5
123.04109	1.4
133.75441	0.7
137.03015	2.0
142.03503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.44089	1.0
57.03428	2.0
58.99849	1.7
61.02928	2.3
67.05496	1.1
69.03432	3.0
69.81320	4.3
73.02896	2.6
77.66367	1.0
77.76752	0.9
78.03459	1.4
80.05026	6.5
81.03393	1.4
82.01452	51.2
85.02895	1.7
86.52703	1.4
88.02676	3.0
89.10974	1.0
93.01888	2.1
97.00760	1.0
97.02882	1.5
98.52701	1.4
100.02490	100.0
101.00880	9.3
101.02538	2.1
106.02904	1.8
109.02869	1.3
113.00922	1.4
118.03535	27.5
119.01912	8.6
123.04113	1.6
123.05553	20.3
124.02435	1.7
124.03976	6.0
131.01924	3.8
137.02870	1.0
142.00313	1.2
142.03508	1.8
143.01923	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.26605	0.2
55.01869	0.3
56.96565	0.6
58.23490	0.2
58.67450	0.2
58.99866	0.4
61.02949	0.4
68.02627	0.2
68.05022	0.3
69.03444	0.5
70.85302	0.7
73.02903	0.3
76.23373	0.2
78.03465	2.4
80.05019	28.3
81.01900	0.5
82.01446	17.1
82.99827	0.3
83.01498	0.3
85.53741	0.3
87.01909	0.4
88.02674	0.5
92.52659	0.3
95.04965	0.3
96.04495	6.1
97.02875	0.4
100.02486	32.8
101.00876	4.1
101.02571	0.4
105.04502	0.4
106.02920	2.2
109.02859	0.3
111.02932	0.3
113.00868	0.4
118.03522	7.6
119.01924	6.8
119.02728	0.5
123.05555	100.0
124.02477	0.3
124.03957	1.9
124.05907	0.8
131.01924	0.6
135.96394	0.2
137.02940	0.9
142.02534	0.2
142.03481	1.1
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
53.03945	0.4
54.64749	0.2
56.96573	0.6
57.03435	0.5
58.99877	0.3
61.02909	0.3
67.05505	0.2
68.05022	0.2
69.03441	0.3
71.34171	0.2
71.41900	0.3
71.42251	0.3
73.02922	0.3
78.03454	2.4
78.52958	0.3
79.04230	0.2
79.09782	0.2
80.05022	26.6
81.01914	0.2
81.03423	0.3
81.05361	0.3
82.01450	12.4
82.99845	0.4
84.52977	0.1
87.01918	0.2
90.31018	0.2
93.01884	0.2
95.04980	0.5
95.06112	0.2
96.04499	6.5
97.02898	0.2
97.04801	0.2
99.56748	0.2
100.02489	20.3
101.00888	2.9
101.02564	0.4
102.02361	0.3
106.02922	2.2
109.00527	0.2
111.02953	0.3
111.49972	0.2
113.00867	0.2
118.02686	0.3
118.03529	5.1
119.01077	0.2
119.01932	4.8
123.05562	100.0
124.02429	0.2
124.03970	1.8
124.05908	0.9
131.01910	0.5
136.58252	0.2
137.02988	0.5
141.02711	0.3
142.03508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03948	2.7
55.01872	0.9
55.05271	0.7
55.05515	10.6
58.53745	0.5
62.29857	0.5
64.45065	0.5
65.03933	2.3
67.05507	54.1
69.07076	0.6
69.66231	1.1
69.66645	2.2
77.03891	0.6
78.03467	0.5
79.05491	6.4
80.05017	4.6
80.06278	0.9
81.03426	6.0
81.07059	10.1
82.01437	0.7
83.04969	1.3
91.05499	3.1
93.07044	11.9
95.04973	32.4
95.08607	44.6
96.04500	1.8
100.02451	2.6
105.04509	0.9
105.07042	4.3
107.04913	0.7
108.05713	2.0
118.03514	0.7
123.04469	2.5
123.05558	11.7
123.08070	100.0
123.11697	1.9
124.03939	4.3
124.08430	1.2
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
53.03939	1.5
65.03953	0.6
69.22112	4.4
74.06080	0.6
79.05471	1.2
84.60054	0.5
84.71822	0.4
91.05486	6.5
92.05001	0.5
92.05806	1.3
93.07048	11.3
94.06586	0.5
95.04987	1.3
96.17471	0.4
98.20808	1.0
102.04641	0.4
102.05482	0.5
102.09177	1.3
103.05468	52.3
104.05820	0.6
105.04516	0.5
105.07038	0.6
118.06532	1.5
118.07359	0.5
119.07346	0.5
120.05585	2.2
120.08107	100.0
121.06525	0.9
121.08414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02375	1.7
52.97928	0.7
53.03716	1.2
53.03953	18.9
55.01872	3.1
55.04337	0.6
56.96572	5.9
65.03951	1.1
68.99793	0.9
69.30261	0.8
71.08678	1.5
72.53273	0.7
77.03949	4.0
79.05496	2.8
81.03419	2.6
89.00772	0.6
91.05493	47.8
92.05812	0.8
93.07056	52.5
94.07437	0.9
95.04980	16.6
98.01307	3.7
98.97607	1.7
102.04710	1.8
102.58138	0.8
103.05481	90.2
104.05807	3.2
105.04525	10.2
105.07048	2.4
121.02935	1.7
121.06520	100.0
121.10138	1.6
122.06879	1.1
127.40546	0.7
127.84471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01586	1.4
51.02379	2.7
53.03951	33.1
53.73273	1.0
55.01883	6.1
55.05507	1.3
62.78239	1.1
62.83640	1.0
65.03936	2.4
71.40540	1.8
77.03940	6.8
78.04700	1.4
79.05499	14.7
79.77698	1.2
81.03413	3.5
91.05488	92.0
92.05818	1.8
93.07050	100.0
95.04974	27.2
103.05476	25.3
104.05763	1.2
105.04525	13.9
105.07032	29.3
106.07815	1.9
108.48243	1.0
119.08566	4.6
121.02894	2.9
121.06516	81.0
121.10149	25.0
123.08053	2.9
133.07628	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
57.03446	0.7
58.99869	1.1
61.19098	0.4
67.05516	1.8
69.03440	0.5
70.91547	0.9
70.91904	0.6
73.50655	0.5
79.05499	2.0
80.05016	1.5
81.07056	1.6
82.01450	52.4
82.99847	1.8
83.01521	1.3
93.07067	0.8
95.04977	3.4
95.08604	1.0
96.04496	0.4
100.02489	100.0
101.00889	14.5
101.02568	1.8
118.03528	28.2
119.01930	31.3
123.04118	0.9
123.05553	4.6
123.08054	1.9
124.02457	0.5
124.03932	0.9
137.02972	5.4
141.05083	0.5
142.03497	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	1197.5907
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01328	0.7
83.04996	0.6
83.08616	1.0
85.02898	74.1
85.06518	0.3
86.03216	0.3
87.04460	2.3
91.03950	10.5
91.05468	7.9
93.07037	5.5
95.04964	1.9
95.07963	0.2
95.08597	5.5
97.02883	47.0
97.06512	3.7
97.10167	0.4
98.03210	0.4
98.21482	0.2
99.03829	0.2
99.04448	4.1
99.08083	0.4
101.02380	0.9
103.03955	0.6
103.05474	0.7
105.04536	0.3
105.07023	14.8
106.07378	0.2
107.04950	1.1
107.08584	5.9
109.02869	7.8
109.06509	12.8
109.10148	3.3
109.10904	0.1
111.04448	0.3
111.08054	0.1
111.11698	0.2
113.02322	0.1
115.03920	24.2
115.05387	0.7
115.07558	10.9
116.06245	0.3
117.05482	0.4
117.07005	3.3
117.07842	0.2
119.04932	0.1
119.08569	7.9
121.06497	0.4
121.10135	5.1
123.04423	0.4
123.08057	0.3
123.11693	1.2
125.02339	0.2
125.06004	0.2
125.09616	0.7
127.03907	29.0
127.11168	1.6
128.04263	0.2
128.06204	0.5
129.05513	0.2
129.06973	1.1
130.07796	0.5
131.07568	0.2
131.08559	4.9
133.04958	5.1
133.10123	5.6
135.08064	0.3
135.11685	3.8
137.05986	0.4
137.09599	0.2
137.13239	0.3
139.03914	0.4
139.11212	0.2
141.06989	0.2
142.07777	0.2
143.08565	1.3
144.09291	0.5
145.04948	40.3
145.10109	11.1
145.12209	1.1
146.05278	0.3
146.10542	0.1
147.04338	0.2
147.11673	14.8
148.11998	0.2
149.06027	0.1
149.09607	0.4
149.13243	2.6
151.03961	0.3
151.07558	0.4
151.11160	0.7
151.14801	0.3
157.04948	0.4
157.10107	1.4
159.11681	12.5
160.12044	0.2
161.13240	40.6
162.13554	0.7
163.06000	33.0
163.11174	1.6
163.14751	0.7
164.06361	0.2
165.09082	0.2
165.12758	0.2
167.10661	9.0
169.04961	0.6
169.10077	0.1
169.12262	0.3
171.11673	1.4
172.12457	0.1
173.04520	0.2
173.13245	8.0
174.13567	0.1
175.14815	1.5
177.05528	0.1
177.09166	0.2
177.12656	0.1
177.16412	0.4
181.04959	0.3
181.12172	0.4
183.11697	0.2
185.13237	1.7
185.14830	0.1
186.13983	0.4
187.05940	0.6
187.14813	1.5
189.16335	0.8
191.17978	0.1
193.04968	0.9
193.08644	0.2
195.06509	0.2
195.10129	0.1
197.11674	0.2
197.13260	0.3
198.13919	0.1
199.05954	0.6
199.14810	3.1
201.16397	0.7
203.17957	0.3
204.08655	0.2
205.07082	0.3
209.11748	0.4
211.06033	0.4
211.09663	0.2
213.16357	1.5
215.17967	0.7
217.07137	0.8
221.11682	0.2
223.06007	3.6
223.09477	0.1
225.16411	0.1
226.17166	0.2
227.17966	0.8
229.07054	0.5
229.19492	0.1
231.20987	0.1
241.07050	6.3
241.19547	0.2
242.07359	0.1
243.21025	0.2
247.08131	0.4
251.12833	0.2
253.07132	0.3
253.19501	0.9
255.21056	59.0
256.21436	1.4
257.22598	1.8
259.08105	7.6
267.21033	0.3
269.13959	0.6
271.08102	1.3
271.20630	0.9
273.22095	100.0
274.22430	2.7
277.09195	0.9
277.12823	0.4
283.24231	0.3
285.25735	3.7
287.14825	0.2
289.09158	2.9
295.10214	18.4
296.10605	0.2
303.26859	0.1
307.10306	0.7
325.11264	18.0
326.11584	0.2
363.30493	0.3
381.31479	2.0
387.25156	0.2
397.30963	0.1
399.32550	13.5
400.33002	0.4
405.26505	0.3
413.30432	0.2
415.32211	0.7
417.33591	60.9
418.34003	2.2
435.27393	27.6
436.27597	0.7
457.15512	0.3
459.34775	0.3
487.16406	0.1
495.34656	0.3
513.35547	0.1
525.35712	0.5
543.36816	1.6
549.38080	0.1
561.29730	0.2
561.37848	1.6
567.31653	0.7
577.37286	0.2
579.38885	21.3
580.39319	0.9
597.32739	1.2
619.19965	0.1
705.41998	0.5
711.42596	0.4
723.42657	0.3
741.44122	5.2
742.44971	0.1
825.23163	0.1
867.35303	0.1
873.47565	0.2
903.48346	0.2
990.07434	0.1
1015.50610	0.3
1033.52148	0.2
1035.52966	0.2
1161.55579	0.4
1197.59033	2.8
1198.58057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01339	0.4
83.04980	0.3
83.08616	0.8
85.02901	52.8
86.03226	0.3
87.00819	0.1
87.04470	1.6
91.03955	7.4
91.05472	6.8
92.05803	0.1
93.07040	4.2
95.01268	0.1
95.04974	1.5
95.08601	4.1
97.02888	43.2
97.06521	3.5
97.10155	0.2
98.03238	0.4
99.00822	0.2
99.04449	2.7
99.08080	0.4
101.02377	1.0
103.03939	0.9
103.05446	0.7
103.37585	0.1
104.06239	0.1
105.07026	14.4
106.07354	0.1
107.04961	0.2
107.08589	5.1
108.08891	0.1
109.02872	5.7
109.06519	1.3
109.10151	2.9
111.04437	0.3
111.11715	0.1
113.01582	0.1
113.02367	1.5
115.03927	19.8
115.05423	0.7
115.07561	12.5
116.04271	0.1
116.06210	0.2
116.07886	0.1
117.05502	0.3
117.07011	3.3
119.04967	0.1
119.08577	7.6
120.08887	0.1
121.06506	0.1
121.10138	3.7
123.04461	0.3
123.08082	0.1
123.11715	0.7
125.02343	0.6
125.05972	0.3
125.09621	0.2
127.03912	19.4
127.11180	1.1
128.04254	0.1
128.06216	0.4
129.05513	0.2
129.06984	1.1
130.07785	0.6
131.08565	4.4
132.09076	0.1
133.04959	3.3
133.08578	0.2
133.10126	5.0
135.04436	0.2
135.08156	0.1
135.11687	2.8
137.02290	0.1
137.05981	0.2
137.09662	0.1
137.13257	0.2
139.03918	0.2
141.07059	0.1
142.07796	0.3
143.03398	0.6
143.08562	1.3
144.09366	0.5
145.04956	28.4
145.10115	10.0
145.12222	0.9
146.05309	0.2
146.10487	0.1
147.04433	0.1
147.11681	13.3
148.12041	0.1
149.05989	0.1
149.09581	0.1
149.13257	2.0
151.03928	0.2
151.11183	0.7
151.14822	0.2
153.05450	0.1
155.08557	0.2
156.09309	0.1
157.04990	0.2
157.10114	1.1
158.10765	0.1
159.11690	11.1
160.12103	0.2
161.04459	2.4
161.13248	35.4
162.13599	0.6
163.06007	18.8
163.11176	1.0
163.14798	0.5
164.06349	0.2
164.43520	0.1
165.05396	0.1
165.09106	0.1
165.12767	0.1
167.10672	0.6
169.04967	0.4
169.10121	0.2
169.12283	0.2
171.11678	1.4
172.12425	0.2
173.04500	0.2
173.13258	7.3
174.13635	0.2
175.06108	0.1
175.14816	1.1
177.05539	0.1
177.12747	0.1
177.16412	0.2
179.10670	0.1
181.04980	0.3
181.07065	0.1
181.08611	0.1
181.12349	0.1
183.10419	0.1
183.11652	0.3
183.98393	0.1
185.13240	2.0
185.14809	0.1
186.14059	0.4
187.06015	0.4
187.14818	1.2
189.16382	0.4
191.05527	0.1
191.14436	0.1
193.04941	0.5
193.12250	0.1
195.06503	0.1
195.10078	0.1
195.11670	0.1
197.13220	0.3
198.14056	0.1
199.06003	0.4
199.14819	2.3
200.15515	0.2
201.16367	0.6
203.17970	0.2
204.08716	0.3
205.05031	0.1
205.07077	0.2
205.15901	0.1
209.13336	0.1
211.06042	0.4
211.14919	0.2
213.07593	0.1
213.11221	0.1
213.16373	1.4
215.14426	0.1
215.17896	0.3
217.07062	0.5
223.06004	2.9
225.16440	0.2
226.17162	0.2
227.17923	0.8
229.07060	0.4
229.19444	0.1
239.17989	0.1
240.18802	0.2
241.07066	4.5
241.19591	0.2
247.08226	0.2
253.07117	0.3
253.19527	1.4
253.22119	0.1
254.19911	0.3
255.21065	57.3
256.21402	1.5
257.22632	0.4
259.08127	4.9
259.11658	0.3
259.20596	0.1
265.19611	0.1
267.21088	0.2
271.08124	0.9
271.20566	1.6
272.20929	0.2
273.22110	100.0
274.22452	2.0
277.09265	0.8
277.12888	0.7
283.20563	0.1
283.24075	0.1
285.22321	0.2
285.25708	1.4
287.11084	0.1
289.09171	1.6
295.10229	11.4
296.10638	0.2
297.22125	0.1
305.08929	0.1
305.12500	0.1
307.10257	0.3
315.23288	0.2
325.11282	9.7
326.11673	0.1
329.15860	0.1
363.23300	0.2
369.24539	0.1
381.24353	0.2
381.26923	0.1
381.31531	0.9
387.25229	0.3
397.31049	0.1
399.25247	0.4
399.32571	3.4
405.26199	0.8
415.32114	0.2
417.26575	1.8
417.33731	8.0
418.33884	0.2
427.32239	0.3
435.27411	22.9
436.27704	0.7
445.33255	0.2
457.15558	0.2
487.16498	0.1
541.35425	0.2
549.30774	0.1
559.36353	1.0
561.37750	0.1
567.31732	0.8
577.37354	7.8
578.37646	0.3
579.31268	0.1
579.39001	0.6
597.32684	0.9
598.33643	0.1
632.49042	0.1
685.40283	0.1
709.41711	0.1
721.41364	0.1
739.42542	2.5
740.42426	0.1
901.47968	0.1
925.65222	0.1
1045.52478	0.5
1063.51758	0.1
1195.57520	13.2
1196.57776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02713	0.5
53.03954	1.0
54.34080	0.5
57.11375	0.5
57.49297	0.4
65.03950	5.6
69.43760	3.2
75.47369	0.4
78.03046	0.4
78.04707	0.4
79.05493	5.5
80.37308	0.5
83.61758	0.4
91.05490	91.2
92.05003	0.5
92.05844	0.6
93.07044	4.7
95.04983	1.7
97.73564	0.5
103.05470	7.5
104.06255	7.3
105.04536	1.7
109.06481	0.6
111.95352	0.4
115.05489	2.8
116.06104	0.4
117.07032	13.3
117.07859	0.6
119.04960	8.6
119.06085	1.6
119.06853	2.1
119.08591	100.0
120.08122	1.3
120.08941	1.4
121.29662	0.4
122.01192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03932	2.2
63.89766	0.8
65.03938	1.4
71.06558	1.6
73.08493	1.1
79.05502	6.3
84.77872	0.7
91.05488	72.2
93.07059	4.4
95.04966	1.4
102.09214	1.2
103.05471	9.4
104.06268	7.9
109.06532	0.7
115.05474	3.6
116.78874	0.7
117.07030	27.8
119.05020	1.4
119.06061	4.5
119.08584	100.0
120.08108	0.8
120.08952	1.2
120.10207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.74462	0.6
53.03940	2.1
54.04292	0.6
58.14316	0.6
60.33961	0.5
63.84414	0.5
65.03947	3.9
65.60257	0.7
66.57066	0.5
69.49570	4.3
79.05508	5.6
90.22311	0.5
91.05489	100.0
92.05011	1.6
93.07048	4.3
95.04984	1.7
103.05486	8.0
104.06262	8.7
105.04512	0.6
109.06503	0.8
115.05447	3.9
117.07028	23.4
119.04975	4.6
119.06074	2.2
119.08589	90.0
120.04461	1.4
120.08901	1.3
125.85236	0.6
131.06021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01329	0.3
83.04974	0.2
83.08618	0.5
85.02906	43.8
86.03231	0.2
87.04471	1.4
91.03959	5.5
91.05474	6.2
93.07046	5.8
95.04971	1.3
95.08607	3.3
95.09224	0.1
97.02893	39.8
97.06524	2.7
98.03231	0.2
99.00816	0.3
99.04454	2.2
99.08083	0.6
101.02370	0.9
103.03963	0.5
103.05427	0.7
105.04487	0.2
105.07031	8.1
107.04976	0.3
107.07870	0.2
107.08591	4.7
109.02882	4.9
109.06515	1.1
109.10157	7.0
111.04433	0.3
111.11707	0.1
113.02373	1.3
115.03932	16.8
115.05450	1.3
115.07568	11.1
116.06238	0.3
117.05525	0.1
117.07012	2.5
118.07787	0.1
119.06079	0.1
119.08580	3.9
121.06525	0.1
121.10147	8.4
123.04437	0.3
123.08137	0.1
123.11710	1.0
125.02382	0.5
125.05982	0.4
125.09620	0.3
127.03920	16.7
127.11193	1.5
128.06224	2.9
129.05550	0.1
129.07008	4.2
130.07780	0.6
131.08571	5.8
133.04968	2.8
133.10132	7.5
135.11699	2.2
137.05957	0.3
137.09578	0.2
137.13295	0.1
139.03925	0.3
141.06995	2.5
142.07788	4.0
143.03401	0.8
143.08566	7.4
144.09392	0.5
145.04964	23.5
145.10126	7.5
145.11295	0.1
145.12234	0.8
145.96088	0.1
146.05333	0.2
147.11690	14.1
149.06020	0.2
149.09624	0.3
149.13258	1.9
149.14380	0.2
151.03912	0.1
151.11215	0.7
153.07047	0.3
154.07791	0.3
155.06075	0.2
155.08565	2.2
156.09361	0.5
157.10130	19.2
158.10544	0.3
159.11696	11.8
160.12111	0.2
161.04468	2.3
161.05695	0.2
161.09697	0.1
161.13261	1.7
163.06017	14.1
163.11230	0.5
163.14726	0.2
165.05554	0.1
165.06992	0.2
167.08554	0.5
167.10675	0.8
168.09331	0.4
169.05008	0.4
169.10123	2.0
169.12299	0.2
170.10881	0.3
171.11693	7.2
172.12257	0.2
173.04507	0.3
173.13271	3.2
173.14680	0.2
175.11162	1.4
175.14833	0.5
177.05544	0.2
177.12843	0.1
181.05028	0.2
181.10072	0.5
182.10896	0.5
183.11705	3.5
184.12404	0.3
185.13264	2.7
185.14853	0.2
186.14044	0.4
187.06104	0.3
187.14890	0.7
193.04982	0.6
194.11064	0.1
195.06572	0.1
195.11714	0.5
196.12485	0.6
197.13261	5.3
198.14041	0.4
199.06099	0.3
199.14807	1.1
201.16339	0.3
204.08676	0.2
205.07083	0.2
209.13268	0.8
210.14143	0.2
211.06044	0.3
211.14825	3.5
212.15579	0.5
213.16388	0.7
215.14143	0.1
215.17963	0.2
217.07141	0.2
223.06032	2.1
223.14853	0.7
224.15604	1.1
225.16379	1.8
229.07158	0.3
229.19669	0.2
235.14861	0.1
237.16434	0.2
238.17157	1.4
239.17984	0.3
241.07057	4.0
241.19696	0.1
247.08150	0.2
249.16382	0.2
251.17946	1.2
253.19510	100.0
254.19849	2.4
255.21077	1.3
259.08148	4.2
259.11804	0.3
265.19559	0.3
267.12469	0.1
267.21155	0.1
269.18973	0.6
271.08237	0.7
271.20563	76.3
272.20901	1.8
273.21997	0.2
277.09305	0.4
277.12976	0.4
277.19751	0.2
281.22867	0.1
283.21063	0.2
283.24185	2.6
283.27097	0.2
289.09146	1.1
291.21057	0.1
293.08478	0.2
295.10245	7.7
307.10330	0.2
313.21552	0.2
319.39651	0.1
325.11298	7.5
326.11740	0.1
337.25220	0.1
358.64835	0.1
361.28952	0.2
379.22845	0.2
379.29953	2.4
385.23862	0.4
397.23410	0.3
397.31039	5.4
403.24844	0.2
407.29648	0.2
415.25009	1.4
415.32211	7.1
416.32654	0.2
425.30563	0.4
431.24570	0.1
433.25885	13.4
434.26413	0.3
457.15707	0.2
521.32501	0.2
539.33942	0.4
557.34778	2.9
559.36670	0.2
565.30206	0.2
575.35785	10.2
576.36334	0.4
577.30017	0.2
577.37628	1.0
595.31458	0.4
689.38959	0.2
701.38959	0.2
719.39911	0.2
737.41083	3.7
738.41199	0.3
869.45917	0.1
899.47284	0.3
1031.50232	0.2
1043.50635	0.4
1138.54626	0.1
1193.55957	7.9
1194.56897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03940	0.9
55.05502	2.2
58.06596	0.6
59.07373	0.9
65.03928	0.6
67.12147	0.6
70.74993	0.5
70.75391	1.6
72.08159	14.9
72.20128	0.5
73.54214	0.5
76.93373	1.2
79.47991	0.7
89.54494	0.5
91.05489	26.3
93.44802	0.6
95.04980	1.1
117.05763	2.5
117.95969	0.6
118.06554	100.0
118.08685	2.2
119.04936	0.9
119.06902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
50.00573	0.2
53.03952	0.5
55.05516	15.6
56.05070	0.2
56.94005	0.2
57.05820	1.1
58.06606	1.4
59.05011	0.3
59.07384	2.0
66.81705	0.2
69.03445	0.2
70.06609	0.5
70.32231	0.7
72.08161	100.0
73.08495	0.6
82.01466	0.8
91.78076	0.2
100.02505	0.9
101.06043	0.2
106.05034	0.5
112.07618	0.5
118.03520	0.3
118.08663	9.0
131.22530	0.2
138.69237	0.2
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
50.51663	1.9
53.03946	1.5
53.73121	0.9
55.01865	2.9
56.05849	1.8
56.96568	11.9
57.03444	1.4
58.99858	1.2
59.52198	1.4
59.73834	1.0
62.02467	1.3
65.03934	2.6
65.52189	2.7
65.52965	1.1
67.05513	1.9
69.03435	17.2
69.07092	1.0
70.21539	1.5
70.21889	2.7
70.98116	1.9
70.99866	1.8
71.01365	2.0
71.02988	6.0
71.53069	1.7
72.02877	1.7
72.08156	4.2
72.52970	1.6
73.02927	1.2
73.07877	1.2
73.08494	12.1
77.00886	1.2
78.52969	5.1
80.02937	1.5
80.03467	1.1
81.03437	1.7
82.01447	19.4
82.99850	3.7
83.01508	9.5
83.50532	1.5
84.01202	9.7
84.52937	1.6
85.02922	1.3
85.53729	1.0
86.52712	3.7
87.00814	1.4
87.53469	3.0
90.23573	1.0
91.02338	1.2
91.05489	23.1
93.53487	3.3
95.52333	2.7
97.99241	1.1
98.20811	1.3
98.52705	1.6
98.97585	2.9
100.02490	45.8
101.00892	42.9
101.02559	17.6
102.01000	0.9
102.02242	17.6
103.02466	3.5
104.52883	2.4
104.54571	1.1
104.57609	1.2
107.03413	1.5
107.05296	1.4
107.53208	3.2
111.00385	0.9
112.07559	1.1
114.04042	3.2
115.01218	1.6
115.02427	1.8
115.04161	3.5
116.03810	4.5
116.05809	1.8
116.53750	1.3
117.03950	1.0
118.03528	15.7
119.01930	100.0
119.03621	6.6
119.04902	4.5
120.02067	1.6
120.03284	5.2
121.03500	2.4
129.03998	1.3
129.04881	0.9
131.01935	3.5
132.05070	1.5
133.03481	2.5
133.05193	2.6
134.04846	3.0
137.02972	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03944	0.4
55.23978	0.3
55.86099	0.4
64.50918	0.3
65.03947	10.8
65.04293	0.6
65.94038	0.4
70.91622	1.0
79.05488	1.0
91.05486	100.0
92.05012	0.8
92.05818	1.1
93.07035	0.5
96.00496	0.4
98.20844	0.4
103.05480	1.1
104.06273	0.8
117.07014	1.6
118.04131	0.5
119.04946	26.2
119.06034	1.0
119.06869	1.1
119.08580	11.3
120.04457	0.7
120.08145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01877	5.6
56.96563	10.1
57.03449	9.0
58.99855	6.4
60.52092	1.2
61.02935	2.8
64.06110	1.2
66.91930	1.2
68.02665	1.3
68.05036	6.8
69.03440	7.4
70.14236	4.1
70.14623	2.1
70.99855	7.2
72.93805	6.6
73.02924	5.0
75.01909	2.1
77.00910	5.3
78.52960	4.8
79.03047	2.5
79.52835	3.2
81.02808	2.8
81.03413	1.8
81.52587	3.6
82.01451	41.4
83.01521	2.7
84.01210	1.2
84.52975	1.3
85.02920	3.6
86.06070	2.5
86.52725	1.9
86.99356	2.3
87.01923	2.3
87.04507	1.4
88.02705	6.3
89.00899	3.5
90.94869	2.3
91.02377	4.0
93.01920	2.5
93.52589	1.6
93.53493	2.5
97.02932	1.6
100.02491	100.0
101.00890	13.6
101.02556	6.8
102.00977	2.9
102.02327	5.8
102.53104	1.9
103.00655	3.0
103.02451	1.9
105.00371	1.4
111.02932	6.1
113.00896	4.5
114.01024	1.4
114.02711	1.6
114.04066	3.0
114.05558	8.2
114.09174	10.5
115.00621	1.9
115.02427	4.4
116.03796	1.3
118.03530	40.0
119.01933	21.4
119.03619	1.8
120.02014	6.5
120.03333	2.4
121.01693	6.6
123.04069	2.2
124.02443	1.6
131.01926	14.7
132.02026	4.2
132.05061	3.1
133.01660	1.7
133.03499	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	114.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73892	1.2
53.03933	1.1
55.01867	4.3
56.96567	9.0
57.03437	8.0
58.88600	1.1
58.99857	5.6
65.52163	1.4
67.11640	1.0
68.05025	5.8
69.01916	1.3
69.03418	6.4
69.66195	7.5
70.03755	1.2
70.06585	1.3
70.99848	8.3
72.93819	5.5
73.02918	4.5
74.09101	1.2
77.00915	6.2
78.52957	3.3
79.02164	2.8
79.52839	1.8
80.52695	1.9
81.02738	2.3
81.03401	3.0
82.01447	37.4
83.01523	1.9
84.01183	1.8
85.02909	2.9
85.51861	1.1
85.53743	2.8
86.06070	3.1
86.09707	1.6
86.52699	2.0
86.99324	1.5
87.01908	1.5
87.02785	1.4
87.04450	1.4
88.02676	4.6
89.00887	3.9
91.02383	4.8
92.52718	1.3
93.01888	1.6
93.53479	1.9
95.01902	1.9
97.02863	1.3
98.97540	1.4
100.02486	100.0
101.00883	10.2
101.01544	2.0
101.02569	5.8
102.00973	3.4
102.02325	6.5
103.00641	2.5
103.02415	2.6
105.00359	1.6
111.02942	7.2
111.53000	2.1
111.53669	1.8
113.00864	4.0
114.00966	1.6
114.03996	4.0
114.05540	9.4
114.09171	11.1
115.00579	1.6
115.02431	3.3
115.04007	1.5
118.01159	1.9
118.03529	39.3
119.01915	20.1
119.03592	2.2
120.02040	4.8
121.01649	4.3
122.53661	1.4
123.04050	1.2
124.02460	2.7
131.01897	13.4
132.01952	3.3
132.05038	2.9
133.01624	2.4
133.03407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
56.05043	0.4
56.96570	0.2
68.05038	0.2
69.95879	0.6
70.06599	100.0
71.06934	0.5
72.05652	0.2
93.04265	0.2
98.06077	0.3
98.07214	0.7
116.07103	15.4
116.08202	0.7
116.10762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.0
53.99778	0.5
55.05517	5.5
56.96559	1.1
58.02967	0.7
58.06599	2.4
59.04993	0.7
59.07375	1.7
65.03938	1.5
70.06619	0.7
70.63170	1.4
72.08161	40.8
76.93375	4.5
84.08125	0.9
87.04467	0.8
91.05492	32.2
94.94408	1.2
95.04963	2.1
100.07610	0.8
105.04501	1.0
117.05750	3.2
117.96004	0.8
118.06553	100.0
118.08643	7.5
119.04943	1.1
119.06889	0.8
119.08632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
52.25607	0.6
53.03949	4.1
55.01869	5.8
55.05514	17.1
56.96564	1.5
57.93567	1.4
58.13737	0.5
60.67757	0.6
62.17202	0.6
65.03941	2.6
65.04243	0.5
66.77722	0.6
67.05505	3.2
67.49173	1.0
67.51060	0.8
68.05042	1.1
69.03433	4.1
69.07072	6.7
69.58204	2.9
70.06599	0.7
76.49715	0.7
76.51611	3.1
78.50071	1.1
78.99961	3.8
79.05466	0.6
81.07049	1.1
82.38309	0.6
83.04986	8.7
83.06116	1.0
83.08621	5.2
86.91532	0.6
87.00478	5.6
87.50660	5.4
88.00491	75.0
88.50732	2.7
89.00264	3.6
89.50733	0.8
90.50724	0.8
91.05491	8.4
93.03386	1.5
93.07050	18.6
95.01215	0.6
95.04964	2.2
95.06101	2.2
97.01010	43.4
97.51208	0.5
98.00784	2.3
98.21503	0.7
99.01400	1.0
99.51282	13.5
100.01443	0.7
105.04521	1.2
106.01534	1.8
108.51820	3.1
111.02033	1.1
111.04455	19.3
111.05639	3.7
111.06499	2.7
111.08087	100.0
112.03996	0.7
112.07669	1.0
112.08416	0.6
113.96416	2.2
114.96438	0.7
115.96452	24.0
116.97256	6.8
117.95981	0.9
125.81525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
52.18476	0.5
53.00309	0.7
53.03953	1.4
55.05517	27.0
57.07079	1.2
58.06602	1.9
67.05512	1.5
69.07075	100.0
69.70358	0.4
70.02951	0.6
70.06599	1.5
71.00077	1.0
83.06142	1.0
83.08623	0.5
88.00523	1.1
91.06505	0.4
93.04529	0.5
97.01006	0.6
99.51313	0.6
105.19769	0.5
111.04443	1.0
111.05596	3.3
111.06436	1.5
111.08095	1.1
111.09211	2.8
111.11717	0.9
112.07678	0.6
112.11258	0.6
115.96493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.03938	1.3
55.01887	4.1
55.05509	3.8
56.00603	0.6
57.03441	79.0
57.07082	3.5
61.30213	0.8
65.03945	8.9
67.01868	4.6
67.05509	73.8
68.05031	3.1
68.05870	0.8
69.03428	4.6
69.07081	3.3
69.85077	3.5
70.02955	5.9
70.06594	2.7
71.01358	0.7
71.04998	55.6
71.94104	6.7
72.93795	11.0
79.05488	3.1
83.04983	2.0
83.06092	0.9
84.06436	0.8
85.02900	2.4
85.06548	39.5
86.06078	1.1
89.00249	1.6
89.50408	1.0
89.95132	1.5
90.00128	3.0
90.94823	3.0
95.01342	4.2
95.02464	1.2
95.04976	39.7
95.05974	1.2
95.08612	7.2
96.00858	3.5
96.04498	1.2
96.05815	0.9
96.06415	8.3
96.08136	1.8
98.00793	1.2
98.50858	1.5
99.00657	2.5
113.00057	6.9
113.02373	100.0
113.03492	13.0
113.06011	31.1
113.07204	1.5
113.07904	1.5
113.09704	1.7
113.10776	1.6
113.11543	1.3
113.96409	1.3
114.05539	2.4
114.09173	19.8
117.95990	1.2
119.95762	1.6
120.94791	0.7
131.97449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01876	1.2
55.05506	3.3
57.03438	15.9
57.07079	30.3
58.61481	0.9
63.94540	0.8
64.78613	0.9
65.03945	5.0
66.58694	1.1
67.01865	4.1
67.05511	55.1
68.05025	2.4
69.03432	2.3
69.07068	3.3
70.02960	6.5
70.06593	2.5
71.04996	17.2
71.52141	1.3
71.94097	4.4
72.93803	8.7
85.02901	2.3
85.06550	17.2
85.08445	1.5
86.06066	1.5
89.50385	1.7
90.00153	4.7
90.94836	3.3
95.01350	2.9
95.04971	24.2
95.06081	1.6
95.08614	2.6
96.00848	3.7
96.04533	1.5
96.05880	1.4
96.06392	5.0
97.57980	1.0
99.00643	1.3
106.74732	1.2
113.00031	2.8
113.02377	100.0
113.03503	13.4
113.06004	25.2
113.07145	2.4
113.07855	1.7
113.09654	3.4
113.10780	3.4
113.11490	1.1
114.05539	2.6
114.09194	5.6
119.95712	1.6
131.85199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	13.2
55.01862	2.2
55.05517	9.4
56.49008	1.0
61.16599	1.0
64.51110	0.9
65.03935	4.3
65.17944	1.1
67.05509	100.0
68.56246	1.2
69.07072	5.8
69.55559	7.9
77.99941	3.5
79.05038	0.7
79.05494	23.7
81.03423	22.6
81.07059	45.9
86.00716	7.2
86.50634	4.0
87.00466	12.4
91.05484	3.4
94.04213	2.9
95.05011	2.0
107.04919	1.2
107.08626	2.4
109.02898	9.1
109.06526	23.6
109.07681	3.0
109.08468	1.7
109.10164	61.6
110.06060	4.0
111.96880	2.4
113.57731	1.0
113.96413	3.7
116.60537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.575
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05508	1.3
81.03422	6.1
81.07066	2.8
83.01330	0.5
83.04998	0.3
83.08614	0.7
85.02907	100.0
86.03238	0.3
86.09705	0.3
87.04472	2.3
91.03957	16.5
91.05450	1.6
93.07036	2.2
95.04944	0.4
95.08602	3.1
97.02894	30.0
97.06524	1.5
97.10188	0.2
99.04464	4.4
101.02381	0.9
103.03931	1.0
105.07027	4.2
107.04925	0.2
107.08597	3.0
109.02883	7.8
109.06497	0.3
109.10149	2.1
115.03940	1.6
115.07583	1.8
117.05520	0.4
117.07056	0.9
119.08582	2.5
121.10157	2.9
123.11732	0.8
125.09637	3.4
127.03922	30.2
127.11156	0.5
128.46423	0.2
128.60803	0.2
131.08595	1.3
133.10138	2.9
135.11690	2.6
143.08531	0.4
143.99078	0.2
145.04965	52.6
145.10126	4.3
147.10545	0.3
147.11696	5.1
149.13255	1.8
151.11134	0.3
157.10143	0.7
159.11694	4.8
161.13263	22.7
162.13588	0.3
163.06018	37.1
163.11200	0.7
163.14824	0.4
164.06415	0.3
168.06631	0.4
171.11673	0.5
173.13284	2.8
175.14819	1.4
177.16577	0.3
181.07011	0.3
184.07472	0.2
185.13268	0.9
187.14844	0.8
187.49144	0.3
189.16415	0.7
199.14772	1.1
201.16409	0.4
203.17957	0.4
204.08699	0.8
213.16399	0.9
215.17996	0.6
227.17958	0.4
253.07147	0.3
255.21086	25.4
256.21512	0.6
271.08005	1.3
273.22134	25.1
274.22385	0.4
285.25760	5.2
288.70193	0.2
289.09204	3.0
307.10257	0.4
325.11304	29.6
334.90094	0.2
381.31503	1.9
399.32587	19.9
417.33646	55.4
418.33881	1.5
435.27402	2.5
579.38934	17.3
580.39044	0.3
741.43823	0.6
929.34039	0.3
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	4-Cresol
Peak:m/z	Relative Intensity
53.03950	33.1
55.01862	3.7
55.05509	5.1
64.69316	1.1
65.03938	10.1
66.04723	2.0
67.01871	1.8
67.05509	37.1
69.03431	1.7
69.07075	2.1
69.54043	2.5
69.54439	7.3
76.43801	1.0
79.05498	100.0
80.06309	1.2
81.03424	63.5
81.07060	88.7
86.00701	3.7
86.50612	2.5
87.00478	5.7
91.05488	14.3
94.04200	8.9
95.04987	4.1
98.21509	2.4
99.83206	1.2
100.14678	1.1
105.04506	2.0
107.04961	4.3
107.08646	1.6
109.02885	8.2
109.06524	99.5
109.07719	2.6
109.10165	21.5
110.06036	3.0
111.96916	1.5
113.96423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03952	10.8
55.01871	2.2
55.05512	10.9
57.41482	0.8
59.22894	0.7
65.03943	10.3
67.01866	1.7
67.05508	100.0
69.03445	1.0
69.07069	5.8
70.86420	1.4
79.05496	29.5
81.03419	9.5
81.07063	63.0
86.00692	2.9
86.50660	1.3
87.00480	4.2
91.05489	23.4
94.04192	25.3
94.07823	1.8
95.04988	1.6
96.68018	0.8
107.04968	13.3
107.08605	4.6
109.02884	2.9
109.06525	94.1
109.10162	66.8
110.06059	1.3
110.06840	1.0
111.04453	1.3
113.96354	1.4
119.06079	1.7
121.04023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
52.24934	0.4
53.03949	5.9
55.01878	4.1
55.05515	2.7
58.38992	0.4
65.03942	2.7
66.04709	0.8
67.05510	19.6
69.07062	1.4
71.94115	0.5
74.99828	0.7
77.00152	0.5
77.50099	0.8
77.99956	1.1
79.05498	29.4
81.03432	5.4
81.07061	34.5
86.00703	2.0
86.50628	1.8
87.00443	4.0
91.05488	8.9
94.04181	3.4
107.04981	1.2
107.08587	0.7
109.02890	1.5
109.06524	100.0
109.10161	14.3
110.06083	1.0
110.06824	1.0
111.96899	1.3
112.96703	1.0
113.96418	1.2
129.97841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05061	0.2
79.05495	1.7
81.03420	5.4
81.07056	2.7
81.12318	0.1
83.01337	0.5
83.08624	0.5
85.02906	100.0
86.03227	0.4
87.04460	1.6
91.03957	18.3
91.05470	1.3
93.07037	2.0
95.04988	0.5
95.08604	2.7
97.02892	29.7
97.06507	0.9
97.10148	0.4
98.21452	0.3
99.04459	4.2
99.08047	0.2
101.02386	0.9
103.03951	1.1
105.07033	4.6
107.08595	2.6
109.02881	8.7
109.06501	0.3
109.10158	1.6
111.11680	0.2
115.03942	1.8
115.07574	1.4
117.05495	0.4
117.07012	0.8
119.08576	2.2
121.10152	2.6
123.11718	0.6
125.09634	3.2
127.03921	31.4
127.11210	0.5
131.08575	1.5
133.10129	2.3
135.11702	2.1
137.13187	0.2
143.08575	0.3
145.04962	60.8
145.10110	3.3
146.05316	0.3
147.11691	4.5
147.12804	0.4
149.13264	1.4
151.11220	0.2
157.10188	0.4
159.11697	3.5
161.13258	18.2
163.06017	43.5
163.11185	0.7
163.14832	0.5
164.06296	0.3
171.11710	0.4
173.13286	2.1
175.14821	0.8
177.16373	0.4
181.07072	0.4
185.13242	0.6
186.88651	0.2
187.14861	0.4
189.16412	0.6
199.14830	0.9
201.16458	0.5
203.17976	0.8
204.08662	1.2
205.06999	0.2
213.16376	0.7
215.17972	1.2
217.19585	0.5
227.17993	0.3
229.19536	0.2
237.60704	0.2
241.07071	0.3
253.06937	0.3
253.19608	0.3
255.21091	22.2
256.21432	0.4
257.22620	0.3
264.17026	0.2
271.08194	1.6
271.20813	0.2
273.22131	22.6
274.22559	0.4
283.26968	0.2
285.25772	2.8
289.09146	3.5
307.10156	0.5
325.11301	34.7
326.11728	0.3
381.31537	1.9
399.32578	23.4
400.32892	0.5
415.32001	0.6
417.33646	53.5
418.33942	1.2
420.80640	0.2
435.27444	2.9
555.66370	0.2
561.37756	0.4
566.53467	0.2
579.38947	18.3
580.38861	0.5
597.32758	0.2
690.63934	0.2
741.44171	1.0
848.93542	0.2
991.85175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.25959	0.5
53.03951	2.6
55.01876	1.1
55.12579	0.5
62.99075	1.1
65.03945	11.0
67.05508	3.2
69.77225	1.8
69.77634	1.1
77.03934	1.1
79.05499	25.9
91.05487	100.0
92.06276	2.2
95.04975	2.7
98.20817	0.5
102.08430	0.5
105.04523	1.2
105.07040	34.6
105.10698	0.5
106.04214	1.0
107.04962	25.1
107.08599	58.4
108.08147	0.5
109.06529	12.9
119.06084	12.6
124.05191	0.7
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	Ethylbenzene
Peak:m/z	Relative Intensity
52.32930	0.4
53.03948	2.2
55.01870	1.1
61.90800	0.4
62.99082	2.1
65.03948	11.8
67.05521	2.6
67.05824	0.6
67.45072	0.5
70.36090	1.4
71.70186	0.4
77.03896	0.6
79.05499	26.5
81.03412	0.4
83.21590	0.4
91.05488	100.0
92.05779	0.7
92.06268	2.6
92.66823	0.4
95.04978	3.3
103.05458	0.5
105.04548	1.7
105.07038	34.8
106.04214	1.2
107.04966	29.4
107.08602	59.7
108.08132	0.7
109.06526	14.3
109.07270	0.7
119.06075	12.4
124.05243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03934	0.6
78.04653	0.1
79.05512	0.2
80.05025	0.2
81.03405	0.4
82.06580	0.8
84.04509	3.0
84.08160	1.0
85.04028	2.6
91.05486	4.1
93.05776	0.2
93.07053	1.5
93.75041	0.2
94.06566	0.2
95.04415	0.2
95.04967	1.0
98.20731	0.4
99.09223	1.1
103.05473	8.5
105.04510	0.3
105.07027	1.0
106.06586	0.3
107.04957	0.3
108.08096	0.2
110.06062	0.3
111.09252	0.2
115.05451	4.5
116.04980	0.4
117.05767	4.4
117.06589	0.3
117.07009	0.4
118.06554	1.2
119.04974	1.5
119.07336	0.2
120.08111	89.9
121.08412	0.9
123.04414	0.6
127.08679	2.6
128.04929	0.2
129.07010	0.3
129.10287	0.2
130.06534	55.8
131.04912	0.3
131.06874	0.7
132.08098	29.6
133.08415	0.2
134.06055	0.2
136.07582	5.1
139.08653	1.9
140.04948	0.4
141.10281	0.6
142.06520	5.4
143.07289	0.6
144.08090	5.3
146.06035	0.5
147.04332	0.4
147.09164	0.2
154.06519	1.6
155.08179	0.4
156.06831	0.3
156.08107	0.5
157.07639	0.9
158.06042	3.0
158.08403	2.6
159.09181	100.0
160.07597	3.2
160.09459	0.9
162.05490	1.3
165.05502	0.6
165.10260	3.1
166.06616	0.2
168.06812	0.4
168.08110	0.2
169.07616	60.2
170.06017	8.2
170.08235	0.8
170.09755	0.2
171.09186	4.3
172.11243	0.3
173.07237	0.3
174.05455	0.5
174.12808	0.9
175.08673	1.3
176.07011	0.3
177.10207	0.6
181.07637	3.6
181.09740	5.2
182.06033	0.8
182.08287	0.9
182.09683	0.3
183.09174	1.3
184.11241	0.7
185.07173	0.5
186.10336	2.3
187.08673	10.7
188.07086	0.6
195.05544	0.4
196.08731	0.3
196.11307	0.3
197.07114	7.2
198.05510	4.6
198.08507	0.3
198.10274	1.8
199.08696	1.8
201.13884	4.4
204.11246	0.2
205.09691	1.0
208.06093	0.3
208.08757	0.4
208.10928	0.2
209.07150	1.1
209.09242	3.1
209.10736	0.2
211.08749	0.5
211.12320	0.3
212.10492	0.2
213.06680	0.4
213.13759	0.4
214.09694	1.6
215.08223	1.9
216.11366	3.2
217.13396	0.3
219.14961	0.6
221.09233	0.2
222.12354	0.8
223.12306	0.9
225.06645	0.7
225.08727	0.3
226.09753	4.1
227.08279	0.2
227.11859	0.2
229.13370	18.0
230.13710	0.3
231.15019	0.7
232.11188	0.7
234.12849	0.4
235.08710	0.3
236.09996	0.7
237.06616	2.3
238.09579	0.2
239.08217	0.2
239.11977	0.4
240.15041	0.5
241.13254	1.1
242.09325	0.3
242.12936	0.4
243.12422	1.2
244.10910	4.4
245.12985	0.4
247.14473	0.4
250.13336	0.4
251.11804	4.6
253.10887	0.3
253.13362	1.8
254.09261	3.7
254.11823	0.3
256.14392	0.8
257.12860	22.2
258.13257	0.2
258.16119	0.2
259.14441	0.2
260.10703	0.4
261.13947	0.4
263.08188	0.3
265.06079	0.4
267.11166	0.2
268.14453	6.7
269.12967	0.6
270.16049	0.3
271.12192	1.0
272.10608	0.2
274.15558	0.6
275.13956	0.3
279.11200	0.8
280.14374	0.8
282.08652	0.3
284.13995	0.3
285.12354	8.4
286.15485	3.5
289.13358	0.3
296.13956	4.5
299.11780	1.0
301.13489	0.3
302.14987	5.1
308.13992	0.6
313.16843	0.7
314.15024	2.6
316.14459	0.6
318.15747	0.3
324.13501	0.7
325.16608	0.5
327.11121	0.2
328.16544	0.7
331.17722	0.3
332.15942	0.7
341.16171	0.3
342.14474	1.5
351.13321	3.4
353.16122	0.6
355.17862	0.3
356.15964	0.7
359.17148	14.6
360.17517	0.4
361.16272	0.2
368.16110	3.2
370.19159	0.6
372.17078	0.4
373.18991	2.2
378.14575	1.0
383.17322	1.6
384.13559	0.5
388.19937	0.2
391.17691	0.9
398.18546	1.0
401.16220	1.1
415.21155	0.9
416.19675	1.0
425.18451	1.2
426.18234	0.8
429.19540	0.3
435.16464	0.4
439.21500	0.2
443.20752	3.0
449.21942	0.2
455.20828	0.5
457.18356	0.4
472.23569	1.7
477.21140	0.4
482.21991	1.6
483.20294	2.4
497.22128	0.3
500.22949	44.0
501.23383	1.5
502.24533	0.4
506.23892	0.6
510.23373	1.1
517.25610	7.2
518.24170	0.4
524.22955	1.3
528.22443	15.2
529.22937	0.5
541.25165	0.4
545.25043	8.0
546.24982	0.4
552.22308	0.9
562.23206	0.2
569.25214	0.9
572.25049	0.6
582.23248	0.5
623.29962	1.4
626.28027	0.6
629.30518	1.6
635.29669	0.5
646.27557	0.2
647.29895	0.4
651.29431	3.8
652.28748	0.3
657.30176	1.8
663.29187	1.9
664.32532	3.4
668.31824	3.1
681.30249	1.1
691.28809	1.3
692.31415	0.8
699.95801	0.2
708.31671	0.2
709.29974	2.7
714.32294	2.5
725.33759	0.6
726.33221	0.3
753.34686	0.2
770.36017	0.6
773.34271	0.4
798.36206	1.8
827.38220	0.4
844.41028	1.0
854.40308	1.3
855.38470	2.2
871.37695	0.3
872.40900	13.3
873.40820	0.8
882.38965	0.3
900.40363	7.1
901.39691	0.5
1081.49878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03938	0.5
79.05493	6.1
81.03419	11.1
81.07060	8.1
83.01348	1.0
83.04967	0.4
83.08607	1.1
84.08164	0.3
85.02907	100.0
85.06548	0.3
86.03236	0.6
87.04472	1.9
91.03960	17.1
91.05478	7.3
93.07047	5.6
95.04974	2.0
95.08604	6.3
97.02894	41.8
97.06527	4.5
97.10166	0.5
99.04453	5.2
99.08084	0.5
101.02375	1.0
103.03954	0.9
103.05459	0.7
105.04527	0.3
105.07035	14.5
107.04972	1.0
107.08598	6.1
109.02881	9.8
109.06522	13.2
109.10160	4.6
109.10829	0.2
115.03934	2.5
115.05507	0.7
115.07574	12.4
117.05494	0.4
117.07027	3.3
119.08584	8.9
121.06545	0.3
121.10145	6.4
122.10500	0.3
123.08075	0.4
123.11723	1.3
125.09628	0.9
127.03921	33.9
127.11200	1.6
128.06184	0.4
129.07013	0.9
129.10294	0.3
130.07800	0.6
131.08574	4.9
133.05035	0.3
133.10139	5.9
133.11105	0.4
135.11703	4.2
137.06012	0.6
137.13280	0.3
139.07576	0.2
142.07730	0.2
143.08580	1.5
144.09299	0.5
145.04965	50.3
145.10123	11.3
145.12280	1.0
146.05333	0.3
147.11687	16.5
149.09627	0.3
149.13242	2.4
151.03917	0.3
151.11200	0.5
157.10123	1.4
158.10611	0.2
159.10651	0.2
159.11694	12.0
161.13260	40.2
162.13617	0.8
163.06018	38.6
163.11227	1.5
163.14847	0.8
165.12834	0.3
167.10681	10.0
167.12120	0.5
169.10056	0.3
169.12283	0.4
171.11736	1.4
173.11761	0.5
173.13268	9.1
175.14816	1.3
177.16418	0.4
179.10712	0.3
181.07127	0.2
181.12274	0.5
183.11630	0.2
185.13306	2.0
186.14090	0.6
187.14795	1.7
189.16383	0.8
199.14812	2.7
201.16397	0.5
203.17863	0.6
204.08701	0.6
209.11763	0.2
211.14925	0.3
213.16406	1.7
215.17970	1.1
223.06142	0.3
226.17059	0.3
227.18039	0.9
229.07036	0.3
241.07103	0.5
253.07040	0.5
253.19536	1.9
254.19839	0.3
255.21088	58.8
256.21481	1.2
257.22629	2.0
259.11548	0.3
269.13852	0.8
271.08096	1.9
271.20590	1.4
272.21091	0.4
273.22128	83.3
274.22586	1.6
277.12958	0.4
285.25729	3.9
285.28577	0.4
287.14902	0.3
289.09155	3.1
307.10275	0.6
325.11313	13.7
363.30414	0.4
381.31509	1.8
397.31641	0.4
399.32605	10.9
400.54199	0.2
415.32077	1.0
416.32236	0.5
417.26935	1.5
417.33640	48.9
418.33942	1.1
435.27472	16.0
436.27518	0.3
487.16574	0.5
525.35968	0.5
543.36755	1.2
561.37592	0.8
579.38928	11.0
580.39020	0.3
597.32690	1.8
624.80872	0.3
688.78278	0.3
705.41559	0.3
741.44147	2.7
759.36792	0.5
901.46552	0.5
903.49329	6.2
1029.51550	0.7
1065.54773	6.7
1066.53455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01598	0.3
51.02377	0.7
53.03951	6.5
55.01858	0.5
56.05037	0.5
56.96571	15.0
60.80590	0.3
62.99073	2.3
63.35968	0.4
63.73429	0.4
65.03947	0.7
66.76884	0.4
67.03815	0.3
67.05504	0.4
69.07114	0.3
69.07645	0.3
70.63103	0.7
71.01353	0.5
71.95264	0.5
72.48021	0.3
73.51057	0.5
74.51868	0.8
75.01064	2.9
77.03933	1.2
79.05499	100.0
80.05837	0.9
81.03452	0.6
81.99996	0.8
83.00782	1.3
83.52375	1.4
84.01569	5.4
84.08152	1.7
86.97628	0.3
90.70085	0.3
91.00529	0.8
91.05492	7.0
92.52937	0.5
93.02097	1.0
95.04973	5.6
98.60613	0.3
99.02087	0.4
100.02467	0.7
105.04534	3.4
105.07038	2.3
107.04964	25.4
107.08606	3.8
108.04494	0.6
108.08114	0.6
109.06556	1.0
119.06075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.564
Annotation	Unknow
Peak:m/z	Relative Intensity
72.78574	0.3
73.02920	39.8
73.06559	1.9
79.05492	2.0
81.03423	5.2
81.07058	4.6
83.01335	0.5
83.04991	0.6
83.08620	1.0
85.02906	95.7
86.03201	0.4
87.04476	3.1
91.03957	25.0
91.05463	2.6
91.56142	0.3
93.07053	3.4
95.04982	0.3
95.08615	4.5
97.02895	60.5
97.06526	3.0
97.10180	0.5
99.04455	4.8
99.08072	0.4
101.02395	1.1
103.03951	1.5
105.06384	0.6
105.07036	5.8
105.07697	0.5
107.08604	5.7
109.02879	7.3
109.06569	0.4
109.10159	3.6
111.04442	0.4
115.03933	38.1
115.07565	4.8
117.05530	0.6
117.07029	1.0
119.08577	3.5
121.10150	5.8
123.11765	1.4
125.09634	5.4
126.10002	0.4
127.03921	31.5
127.11179	0.9
131.08554	2.5
133.04967	9.6
133.05988	0.5
133.10138	3.1
135.11696	4.4
137.13292	0.4
139.03938	0.3
143.03444	0.3
143.08553	0.6
145.04964	52.7
145.10118	5.9
146.05249	0.4
147.11697	8.3
149.13248	3.3
151.11220	0.5
151.14844	0.3
157.05046	0.3
157.10098	0.7
159.10434	0.6
159.11697	6.4
161.13261	33.4
162.13615	0.6
163.06018	52.3
163.11194	1.2
163.14857	1.2
164.06410	0.4
165.12804	0.4
168.06662	0.3
169.05009	0.4
171.11711	0.8
172.76923	0.3
173.13286	4.1
175.14832	2.2
177.16417	0.7
179.14348	0.3
182.30083	0.3
185.13312	0.9
187.06029	0.5
187.14833	0.9
189.16376	1.2
193.05000	1.0
199.06050	0.5
199.14857	2.0
201.16383	0.9
203.17964	1.1
204.08737	0.4
205.07074	0.4
211.06049	0.6
213.16391	1.2
215.17969	1.0
217.07129	0.9
217.19531	0.4
223.06023	3.5
227.17920	0.9
229.19412	0.3
237.89549	0.3
241.07059	5.7
253.19577	0.4
255.21089	51.2
256.21484	1.2
259.08160	9.8
271.08163	0.7
273.22137	49.3
274.22458	1.1
277.09238	1.1
283.86148	0.3
285.25784	10.9
289.09290	1.9
295.10248	40.2
296.10580	0.8
325.11310	26.8
326.11636	0.6
381.31491	4.0
399.32596	39.6
400.32764	1.4
415.31897	0.4
417.33646	100.0
418.33987	3.7
435.27460	3.6
457.15381	0.3
465.75751	0.3
519.49963	0.3
561.37799	0.4
579.38953	21.9
580.39197	0.8
711.42670	0.9
721.40771	0.3
858.35034	0.3
884.05017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02918	41.0
73.06226	0.4
73.06564	3.5
74.09714	0.4
79.05486	4.6
81.03416	6.6
81.07059	8.7
83.04990	0.8
83.08621	1.3
84.04454	0.4
85.02904	92.7
85.06544	0.4
86.03245	0.4
87.04462	3.2
91.03955	19.0
91.05473	5.7
93.07035	6.4
95.04961	1.7
95.08608	4.9
97.02890	60.8
97.06537	3.6
97.10141	0.5
99.04448	3.9
99.08103	1.4
101.02343	0.7
103.03943	1.4
105.07027	7.9
107.04975	0.6
107.08591	7.7
109.02874	7.4
109.06510	0.6
109.10153	7.4
112.47511	0.3
115.03930	42.2
115.07568	4.5
117.05474	0.6
117.06975	2.1
119.08582	5.6
121.06503	0.9
121.10139	8.8
123.04424	0.5
123.11732	1.8
125.09615	3.2
127.03917	31.4
127.11178	1.2
128.06238	1.6
129.07056	1.9
131.08565	6.4
133.04967	10.9
133.10132	9.3
135.11674	4.0
137.09607	0.5
141.07016	1.0
142.07788	1.2
143.08560	11.0
144.09341	0.5
145.04962	50.9
145.10126	10.2
146.05261	0.6
147.11690	24.0
148.11977	0.5
149.09598	0.8
149.13283	3.8
149.83101	0.4
151.11188	1.2
155.08540	1.3
157.08786	0.6
157.10132	17.2
159.11691	17.8
160.11960	0.4
160.59694	0.4
161.09615	0.7
161.13249	9.1
163.06015	42.5
163.11182	0.9
163.14819	0.5
169.04985	0.7
169.10156	1.5
171.11696	7.4
173.11914	0.7
173.13237	4.9
175.11157	2.6
175.14754	2.1
177.12752	0.5
179.14415	0.5
181.04947	0.5
182.10989	0.3
183.11763	2.8
185.13239	3.1
187.14885	1.9
189.16452	0.4
193.04985	1.3
195.11646	0.6
197.13264	5.6
199.06125	0.6
199.14835	2.8
200.15593	0.4
201.16374	1.7
204.08655	1.7
209.13248	0.6
211.06067	0.5
211.14897	3.0
212.15475	0.4
213.16368	2.0
215.17976	1.3
217.07010	0.6
223.05991	3.9
223.14815	0.9
224.15634	1.1
225.16290	2.1
227.17943	0.9
229.19620	0.6
238.17184	1.7
239.18025	0.5
241.04814	0.7
241.07071	8.3
251.17981	2.9
253.19513	79.5
254.19884	1.4
255.21097	1.6
257.18878	0.4
259.08145	10.5
271.08136	1.3
271.20566	34.2
272.20880	0.5
273.22089	0.8
275.20056	0.6
277.09195	1.2
281.22775	0.5
283.24200	17.7
289.09186	2.2
291.19370	0.5
295.10239	48.6
325.11288	33.3
349.23764	0.6
369.89130	0.5
379.25009	0.6
379.29953	16.3
397.31015	96.0
398.31381	2.1
402.51846	0.4
413.30460	0.5
415.32068	100.0
416.32480	2.5
429.19189	0.7
433.25903	4.2
529.35156	0.5
543.36627	1.7
559.36243	1.8
577.37360	35.9
578.37531	1.1
623.42932	0.5
641.43420	0.5
709.41034	1.6
719.37598	0.6
739.42206	1.3
1050.59570	0.8
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
50.32369	0.4
51.02381	1.1
53.03950	8.2
55.01892	0.4
56.06340	0.4
64.50616	0.4
70.03770	0.5
70.95278	0.7
70.95627	0.7
74.60606	0.3
77.03937	2.7
79.05498	38.5
79.64205	0.5
81.03432	0.7
88.04830	0.7
95.04977	7.0
100.75079	0.5
103.05475	28.9
105.04552	4.0
105.07037	100.0
105.11077	1.5
106.07385	0.9
111.01827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	1.0
53.03715	0.5
53.03947	8.0
60.04520	0.3
61.01141	0.8
61.08494	0.5
65.03931	0.8
70.97057	0.4
71.12183	0.4
71.12517	0.5
77.03937	2.4
78.17442	0.3
79.05495	37.9
81.03413	0.7
87.00812	0.6
88.04803	1.2
95.04971	9.1
102.04695	0.4
103.05472	23.5
105.04543	4.7
105.07034	100.0
105.11066	2.8
106.07417	0.7
121.07446	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02380	0.6
53.03947	9.1
55.01860	0.3
55.05507	0.4
61.08486	0.4
66.63458	0.3
69.94550	1.6
77.03938	2.7
78.41058	0.3
79.05496	37.4
80.23520	0.4
81.03412	1.1
88.04794	1.6
95.04970	8.5
103.05470	28.1
104.05804	0.4
105.04535	5.5
105.07034	100.0
105.11050	2.0
106.07415	0.7
113.89579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	42.7
73.06561	2.4
79.05492	4.5
81.03426	6.6
81.07059	11.1
83.04980	0.8
83.08610	1.2
85.02908	100.0
85.06566	0.5
86.03225	0.9
87.04466	2.7
91.03958	21.8
91.05483	4.4
93.07048	6.5
95.04984	1.7
95.08607	6.1
97.02895	62.9
97.06534	3.1
97.10177	0.7
98.03252	0.7
99.04453	4.9
99.08096	2.6
101.02371	0.7
103.03947	1.7
105.07036	10.6
106.07426	0.4
107.04958	0.4
107.08598	7.1
108.08943	0.4
109.02889	8.9
109.06532	1.1
109.10161	6.7
111.04440	0.5
115.03934	39.4
115.07558	3.0
117.05508	0.4
117.07017	2.8
119.08592	5.5
121.06524	0.8
121.10152	8.1
121.11044	0.5
123.11711	2.3
125.09647	3.9
127.03923	31.0
127.11195	1.9
128.04219	0.6
128.06226	0.6
129.07018	1.5
130.07985	0.3
131.08569	6.4
133.04974	9.1
133.10127	11.5
135.11699	5.6
137.09647	0.7
139.03902	0.4
139.11208	1.1
141.07056	0.8
142.07794	0.9
143.08569	7.6
144.09212	0.5
145.04965	54.3
145.10135	10.3
146.05269	0.7
146.10588	0.4
147.11696	16.6
148.12044	0.6
149.09630	1.0
149.13260	5.0
151.03918	0.3
151.11200	1.1
155.08582	1.4
157.10136	16.4
158.10571	0.5
159.11703	14.0
160.12119	0.5
161.09657	0.6
161.13263	13.4
162.13591	1.0
163.06020	45.5
163.11208	1.4
164.06384	0.5
169.04903	0.5
169.10146	1.1
169.12277	0.4
171.11710	6.5
173.13277	5.2
175.11192	2.3
175.14850	2.8
177.12788	0.3
181.05083	0.4
181.06964	0.4
181.10402	0.4
181.12219	2.0
183.11720	2.6
185.13242	2.4
187.14821	2.2
189.12784	0.3
189.16534	0.4
193.04930	1.0
195.11746	0.6
197.13260	4.8
199.05838	0.4
199.14845	2.1
201.16383	1.9
209.13275	0.4
211.05989	0.4
211.14861	3.6
213.16393	3.4
215.14536	0.3
215.17981	4.4
217.07133	0.5
217.15900	0.4
219.17564	0.3
223.06024	3.3
223.14867	0.6
224.15662	0.7
225.16425	2.1
227.17998	1.1
229.07034	0.4
229.19542	1.3
231.17395	0.8
238.17177	1.2
239.18007	0.4
241.07059	7.5
241.09555	0.4
241.19594	0.8
247.08177	0.5
247.16887	0.4
251.17999	1.7
253.19525	53.1
253.55209	0.4
254.19904	2.5
255.21112	5.1
256.21469	1.7
259.08163	9.8
261.18561	0.8
265.19476	0.5
269.19058	0.4
271.08234	1.1
271.20575	31.5
272.20749	1.5
273.22165	5.0
274.22519	1.8
277.09192	1.5
279.21259	0.3
281.22784	0.6
283.21039	0.7
283.24216	14.8
289.09161	2.9
295.10245	43.7
296.10568	0.5
307.10327	0.6
317.24896	0.8
325.11313	31.9
326.11655	1.1
379.29980	10.2
380.30283	0.6
397.31036	78.8
398.31372	3.1
399.32639	1.6
413.30603	0.6
415.32092	68.4
416.32410	3.8
417.33594	6.2
418.34003	2.7
433.25864	3.7
435.27460	1.3
436.27689	0.5
559.36249	1.3
577.37378	26.8
578.37622	2.1
579.39026	3.3
580.39221	1.2
709.41235	1.2
739.42682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35754	0.2
53.94258	0.2
57.22408	0.2
58.06601	3.6
59.07385	1.1
60.08167	34.6
68.05028	0.2
69.03430	2.0
71.03744	0.3
71.04060	0.3
72.39799	0.2
79.80361	0.2
86.06070	1.7
87.04475	6.7
98.38174	0.2
104.10748	100.0
105.11093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
75.27624	0.5
79.05499	0.9
81.03425	1.7
81.07059	0.7
82.06579	0.8
84.04511	4.5
84.08157	2.5
85.02929	1.0
85.04039	5.1
86.09711	50.4
91.05492	4.1
93.07042	2.1
94.06557	0.6
95.04980	1.3
96.08126	2.3
97.02882	0.9
97.06562	0.5
98.09704	2.0
99.05620	0.8
99.09220	2.1
103.05484	6.5
105.04546	0.9
105.07005	1.1
107.04961	0.6
107.08580	0.4
109.06557	0.4
111.09225	0.6
113.10781	1.1
115.05484	3.4
117.05777	3.3
117.07010	0.5
118.06548	1.4
119.04928	1.4
119.08552	0.7
120.08116	65.0
123.04447	1.0
124.07616	0.6
125.07178	0.5
125.10724	0.4
126.09186	0.6
127.08698	4.6
127.09589	0.6
129.06950	0.4
130.06537	15.9
131.04929	0.5
132.08104	24.4
132.53656	0.6
136.07584	8.3
137.05873	0.4
139.08684	7.0
140.14354	1.6
141.10258	3.7
142.06558	4.2
143.11775	0.7
144.07016	0.7
144.08099	10.0
144.09213	0.5
146.06030	1.0
153.10257	3.8
154.06511	3.8
155.08177	1.7
156.06934	0.6
156.08124	1.0
157.07628	0.8
158.08443	5.5
159.09189	69.9
160.07571	2.1
162.05507	1.9
163.03882	0.4
163.05905	0.5
165.05527	1.1
165.10248	4.7
167.08243	0.9
167.15451	11.1
168.06781	0.7
168.08093	0.7
169.07623	100.0
170.06027	15.2
170.07631	0.7
170.08153	0.9
171.09186	8.7
171.11310	1.0
174.05580	0.7
175.08707	1.6
178.12372	0.4
181.05167	0.5
181.07643	6.3
181.09749	8.2
182.06000	2.1
182.08286	2.2
182.09645	0.4
183.09177	2.0
185.07156	1.4
185.16560	1.0
186.10284	3.8
187.08687	7.2
188.13943	0.9
193.07574	0.5
195.09238	0.8
195.14944	43.1
196.11223	0.5
197.07121	10.9
197.16618	0.7
198.05513	6.0
198.08595	0.4
198.10313	2.9
198.12750	0.9
199.08810	2.4
200.14267	0.8
207.15050	0.6
208.08781	0.5
208.10913	0.9
209.07147	3.3
209.09279	5.9
210.10258	0.6
210.12808	0.5
211.08650	1.1
211.12442	0.4
212.08475	0.4
213.13870	0.6
213.15999	1.2
214.09750	1.6
215.08257	2.6
216.11302	7.0
217.13249	0.5
222.16054	0.6
223.12320	1.7
223.14413	28.0
225.06708	1.0
225.08675	0.4
226.09769	9.6
226.11980	0.6
227.08150	0.9
227.15439	0.9
236.09946	0.8
237.06607	4.1
237.13954	1.4
238.09708	0.5
239.11845	0.8
240.14978	0.7
240.16998	2.3
241.13373	2.3
241.15550	0.8
242.12764	0.6
243.12469	1.8
244.10880	6.3
250.13409	0.8
250.15747	0.5
251.11794	6.6
251.14038	4.0
252.14555	1.0
252.17099	14.3
252.19713	0.8
253.10884	0.8
253.13348	5.4
254.09282	6.9
255.15062	0.5
260.10278	0.5
265.06180	0.5
265.13312	1.6
266.16583	0.6
268.14435	10.5
268.16690	7.1
269.12955	1.4
271.12000	0.6
279.11279	1.8
279.18448	1.5
280.16711	9.4
282.08914	0.6
282.16086	0.8
284.17618	1.4
290.15002	0.5
294.15799	1.1
296.13956	6.3
297.17007	0.5
308.13629	0.7
310.11783	0.5
310.15540	0.7
316.14517	0.5
322.15549	1.2
325.18805	20.0
328.16727	1.0
336.20657	1.4
338.18646	1.1
339.18359	1.2
350.15283	0.6
351.13416	3.5
353.16064	0.9
354.21814	0.8
356.16220	1.1
357.19229	0.9
358.21371	0.7
361.12030	0.5
364.20230	1.6
366.18286	1.4
367.17853	1.1
368.15872	2.7
373.18723	3.7
378.14603	1.9
381.22794	3.7
382.21268	3.0
383.17108	2.7
390.14288	0.7
391.21143	0.9
392.19815	1.0
395.20633	0.7
405.22968	0.6
409.22397	7.8
415.23303	0.6
421.22256	1.0
423.20303	2.1
425.18326	2.3
435.16852	0.7
437.21860	0.6
438.25186	2.9
448.23502	4.8
449.21902	4.8
466.24551	74.9
467.24860	1.9
468.26221	0.5
472.25720	0.6
476.22681	2.1
477.21591	0.9
482.24100	1.0
483.27213	12.8
494.24078	22.4
496.52826	0.5
510.23306	2.3
511.26721	13.5
512.25031	0.7
524.23059	1.4
548.25201	0.8
552.22687	1.1
562.23596	0.7
569.25037	1.4
595.32312	2.8
612.28925	0.7
618.29004	0.6
623.31006	4.3
629.30914	3.9
630.34277	5.7
640.31775	0.6
647.32098	3.0
651.29199	6.1
657.30237	5.5
668.31921	3.6
675.31488	7.4
680.34021	3.7
692.33319	0.8
693.32922	0.6
725.33514	1.0
764.37646	3.3
793.39954	1.0
810.42535	1.3
820.40704	1.9
821.39685	5.1
837.38977	0.9
838.42450	23.5
839.42261	0.9
866.42029	16.2
867.41113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	22.9
79.05495	7.8
81.03426	7.2
81.07060	10.4
83.01357	0.5
83.04980	3.0
83.08627	1.4
84.42245	0.3
85.02907	54.8
85.06545	1.5
87.04458	2.7
91.03957	6.7
91.05481	11.0
93.07047	10.3
95.04984	2.6
95.08608	6.7
97.02895	34.6
97.06522	3.7
97.10173	1.1
99.04455	3.0
101.02347	0.5
103.03949	0.6
103.05453	0.6
103.92429	0.3
105.04554	0.6
105.07039	12.6
107.04980	1.2
107.08602	9.6
109.02878	6.6
109.06525	4.5
109.10155	3.8
111.04448	8.8
111.05216	0.5
111.08057	0.5
111.11720	0.9
113.06010	2.9
113.09666	0.4
115.03938	16.3
115.05438	0.5
117.00571	0.4
117.07036	1.8
117.68813	0.4
119.08585	8.7
121.06512	6.0
121.10153	9.5
123.04419	0.7
123.08059	2.5
123.11741	1.6
125.06014	3.4
125.09641	5.3
127.03920	18.6
129.07011	0.9
130.07788	0.6
131.08582	4.7
133.04996	2.7
133.10136	5.3
135.08029	2.4
135.11711	4.0
137.09645	0.7
139.07516	0.6
139.11203	6.2
143.08598	1.7
145.04968	20.0
145.10136	5.9
147.11696	3.1
149.09608	2.5
149.13271	1.4
151.11255	0.5
153.12747	0.6
155.08549	0.7
157.10158	1.5
159.11725	5.5
161.09700	0.6
161.13246	1.2
163.03975	0.8
163.06024	14.1
163.11191	6.3
165.12796	1.3
167.10651	3.5
169.10182	0.4
171.11732	0.8
173.09578	0.4
173.13258	2.7
177.12796	1.4
181.12241	5.2
183.11754	0.6
183.13716	0.4
185.13342	0.6
187.14874	1.2
189.12677	0.6
189.16443	0.5
197.13321	0.9
199.14938	0.6
201.16463	0.6
204.08650	0.7
211.14845	0.7
213.16486	1.5
215.17964	16.4
216.22089	0.4
217.16034	0.5
217.58427	0.4
223.06081	1.5
225.16518	0.5
227.18013	0.5
233.19081	1.8
237.16435	0.5
239.17921	0.5
241.07111	2.1
253.19548	3.6
255.20953	0.4
259.08197	2.7
265.40579	0.4
271.20667	1.5
273.22238	1.3
277.09192	0.5
281.22784	0.7
289.09128	0.9
289.21616	0.5
295.10257	6.2
299.23798	1.6
317.24878	1.2
325.11304	5.7
379.30127	1.7
397.31024	21.6
398.97705	0.4
415.32086	100.0
416.32544	2.3
429.19153	0.8
448.35709	0.4
449.86523	0.5
457.33160	1.3
475.31729	0.4
499.34033	0.5
559.35968	0.4
577.37378	19.0
709.41699	1.1
739.42639	2.8
761.95142	0.4
871.46753	2.8
901.47986	14.3
1015.50848	1.3
1033.52185	40.7
1034.51563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.3
59.04708	0.1
59.07381	1.0
60.08167	35.1
61.08512	0.1
68.05037	0.2
69.03430	1.2
70.49535	0.3
70.49875	0.1
86.06059	0.7
87.04474	3.4
88.07664	0.1
104.10749	100.0
105.11092	0.5
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
50.66401	0.2
58.06601	2.9
59.07389	0.8
60.08168	35.1
69.03443	1.1
69.24057	2.0
86.06085	1.1
87.04466	3.5
89.84167	0.2
104.10749	100.0
105.11047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	21.0
73.26823	0.2
77.03922	0.3
79.05488	6.1
81.03417	5.7
81.07057	8.9
83.01354	0.3
83.04993	2.1
83.08623	1.2
83.09046	0.3
85.02902	52.6
85.06535	1.3
86.03242	0.2
87.04472	2.1
87.66127	0.2
91.03416	0.4
91.03955	6.0
91.05476	8.3
93.07043	8.3
95.04970	2.0
95.08606	5.9
95.76019	0.2
97.02888	34.4
97.06528	3.2
97.10175	0.9
99.04450	2.7
99.08086	0.6
101.02388	0.8
103.03941	0.9
103.05475	0.7
105.04499	0.6
105.07030	11.5
107.04957	0.7
107.08593	9.3
109.02878	5.0
109.06509	3.8
109.10149	3.1
111.04440	8.2
111.05218	0.3
111.08081	0.7
111.11706	1.0
112.99783	0.2
113.05999	2.6
113.09615	0.8
113.93255	0.2
115.03928	14.2
116.06210	0.3
117.05520	0.3
117.07009	1.8
119.08579	6.1
121.06498	6.2
121.10141	8.1
123.04404	0.5
123.08054	2.2
123.11716	1.1
125.05991	3.1
125.09630	5.8
127.03915	16.6
127.11123	0.4
128.06206	0.5
129.07018	0.6
130.07776	0.4
131.08563	4.3
133.04974	3.4
133.10129	4.4
135.08046	2.6
135.11687	3.6
137.09610	0.5
139.03888	0.4
139.11179	5.2
142.07845	0.2
143.08583	1.3
144.09358	0.3
145.04955	21.1
145.10112	5.4
147.11688	3.1
149.09628	2.8
149.13243	1.2
151.11212	0.5
153.12756	0.5
155.08510	0.4
157.10153	1.3
159.11690	5.0
161.13246	1.6
163.06013	15.8
163.11186	5.6
163.14822	0.3
165.12769	1.0
167.10674	4.2
169.04947	0.2
169.10147	0.4
171.11678	1.1
173.13245	2.3
175.11209	0.4
175.14940	0.4
177.12721	0.7
181.12230	4.2
181.13701	0.3
183.11708	0.4
183.13820	0.4
185.13341	0.7
187.05937	0.4
187.14827	0.9
189.12796	0.3
189.16403	0.4
193.05031	0.4
195.13922	0.3
197.13293	0.9
199.14813	0.5
201.16422	0.4
209.13353	0.3
211.14876	0.7
213.16342	1.2
215.17946	16.5
216.18306	0.2
217.07188	0.2
217.15817	0.2
218.10808	0.2
223.06061	1.4
225.16159	0.3
227.18001	0.4
229.19482	0.4
231.20906	0.2
233.18948	1.5
239.17891	0.5
240.52251	0.2
241.07054	2.6
251.18098	0.3
253.19493	3.1
255.21094	0.6
259.08105	2.4
269.19119	0.2
271.08337	0.6
271.20517	1.8
273.22098	1.3
277.09229	0.4
281.22702	0.7
289.09244	1.1
289.21487	0.5
295.10223	5.1
299.23688	1.9
307.10278	0.3
317.24814	1.1
325.07513	0.3
325.11304	5.3
341.24683	0.3
341.85443	0.2
379.29950	1.5
397.03915	0.2
397.31012	20.9
398.31274	0.4
413.30859	0.4
415.32056	100.0
416.32428	2.6
439.86569	0.2
457.33298	1.5
499.34222	1.1
541.35504	0.3
559.35944	1.0
577.37354	18.9
578.37372	0.4
619.38391	0.3
709.41675	0.7
739.42480	2.6
871.46515	2.0
901.47852	15.3
902.47314	0.7
1015.51154	1.3
1033.52148	37.6
1034.52100	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08155	72.6
73.02885	0.3
75.62964	0.3
77.03931	0.5
79.05480	0.5
82.06584	3.9
83.04996	0.3
84.04500	5.0
84.04964	0.4
84.08145	5.7
85.02931	0.8
85.04027	7.1
91.05471	3.2
93.07050	1.2
94.06593	1.0
95.04979	0.9
97.02901	0.7
97.03992	0.3
99.09210	2.7
100.07636	0.5
103.05470	5.0
105.07051	0.5
110.06089	0.6
111.09222	1.2
112.07609	0.3
113.10767	1.0
115.05434	3.8
117.05734	2.3
117.07018	0.3
118.06537	1.3
119.04948	2.0
120.08105	75.3
121.08376	0.4
123.04433	0.7
123.05517	0.3
124.43051	0.3
126.12794	1.2
127.08681	7.2
129.10251	0.9
130.05760	0.3
130.06526	18.9
132.08090	31.6
133.10127	0.3
136.07579	10.1
139.08656	15.0
141.10248	2.4
142.06511	5.0
143.07303	1.2
144.08086	9.3
145.05025	0.4
145.07607	0.5
146.06017	0.8
147.04395	0.9
147.09207	0.4
153.13875	9.0
153.15039	0.6
154.06517	3.3
155.08215	0.9
156.08109	1.0
157.05359	0.3
157.07626	1.7
157.09804	1.4
158.06198	0.4
158.08403	5.9
159.09177	85.5
160.07581	2.4
160.09549	0.5
162.05508	2.1
165.05530	1.1
165.10255	4.0
167.08257	2.0
168.06856	0.7
168.08092	0.4
169.07607	100.0
170.06013	16.5
170.08269	1.1
171.09171	8.1
171.14957	1.6
172.07603	0.4
172.11258	0.4
174.05479	1.9
174.12416	0.9
175.08688	1.8
180.04356	0.4
181.07622	7.6
181.09750	8.6
181.13354	27.8
182.06070	1.5
182.08258	1.8
182.09750	0.6
183.09218	2.4
183.14902	0.7
184.11180	1.2
185.07162	1.3
186.10333	3.3
186.12813	1.3
187.08688	8.6
188.07129	0.5
191.11717	0.5
193.07590	0.4
193.13396	0.8
195.05536	0.8
196.11240	1.5
197.07101	13.9
197.10837	0.5
198.05508	6.0
198.07581	0.5
198.08492	0.4
198.10225	3.0
199.08673	3.9
199.14441	0.9
205.09792	0.5
208.08836	0.4
208.11121	0.5
208.14494	0.9
209.07161	2.9
209.09244	6.6
209.12837	21.1
210.10211	0.5
211.08717	0.9
211.12398	0.4
211.14252	0.7
213.06683	0.8
213.13882	1.8
214.09816	1.7
215.08179	2.8
215.10324	0.6
216.11336	9.3
221.12862	0.4
223.12331	2.7
224.10698	0.5
225.06805	2.0
225.08766	0.6
225.13811	1.2
226.09756	12.7
226.11955	0.8
226.15495	3.3
227.08150	0.9
227.11882	0.5
227.13933	0.9
229.13510	0.6
234.09032	0.3
236.08061	0.7
236.10381	0.8
237.06615	5.0
237.08769	0.3
237.12280	5.6
238.15508	20.0
239.11766	0.5
240.14932	0.6
241.13339	2.7
242.12952	0.4
243.12399	2.2
244.10857	11.1
245.12953	0.6
250.13373	0.6
251.11818	8.2
251.14410	0.5
252.14978	0.8
253.10768	0.8
253.13402	4.0
254.09285	5.5
254.15002	11.9
260.10486	0.6
263.14087	0.7
264.07568	0.4
265.06104	1.2
265.16940	1.9
266.15009	13.9
267.11304	0.7
268.14441	12.9
269.12790	1.8
270.15991	2.0
271.11905	0.9
272.10562	0.5
273.12488	0.4
274.15646	0.5
276.13522	0.5
278.12787	0.4
279.11322	2.0
280.14392	2.1
281.12848	0.6
282.08746	1.1
284.16162	0.9
287.11749	0.7
293.16125	0.7
294.14783	0.7
296.13953	6.3
296.17307	0.6
297.17172	0.5
298.15594	0.6
301.18875	0.6
302.15189	0.4
306.19684	0.4
307.15280	0.3
308.14005	2.3
311.17123	20.3
315.11343	0.4
316.14374	0.8
322.18945	1.8
324.13449	1.6
324.17181	1.6
325.16660	3.2
328.16550	1.3
332.13931	0.8
335.10120	0.5
335.14468	0.6
336.13477	0.9
340.20184	1.2
343.10715	0.5
343.17609	1.2
344.13782	0.5
344.19632	0.7
349.20477	0.5
350.14749	0.5
350.18762	1.6
351.13379	4.9
352.16650	0.6
353.16052	2.8
355.17673	0.5
356.15894	1.7
356.19839	0.7
361.11871	0.7
367.21194	1.9
368.15741	3.5
368.19958	2.5
372.13184	0.5
373.18613	3.3
373.22800	0.5
377.19937	0.4
378.14471	4.0
378.18436	1.2
381.15582	1.2
383.16977	2.6
389.11334	0.8
390.14243	0.4
390.19977	0.6
395.20911	7.3
397.31467	0.5
401.21799	0.7
406.13968	1.1
406.22906	0.5
407.21085	0.5
409.18549	1.1
411.16812	0.4
415.32294	1.6
418.13861	0.4
424.23422	3.3
425.18024	3.7
432.19135	0.4
434.21930	4.0
435.21072	3.8
437.18237	0.4
443.20844	0.7
452.22952	75.2
453.23083	1.8
454.24313	0.6
458.23962	1.1
460.18307	0.9
462.21320	1.2
463.16071	0.6
469.25616	15.1
477.21384	1.1
479.22949	0.5
480.22433	25.4
481.23068	0.4
482.24066	1.3
497.25137	21.4
498.24164	0.7
505.20905	0.7
508.23291	0.4
510.23410	2.3
524.23865	2.4
534.23431	2.2
541.25189	0.5
552.22687	1.5
559.25391	0.4
562.23120	2.4
569.24890	1.4
570.26868	0.5
581.30774	3.8
587.29895	1.2
598.26849	0.6
604.27386	0.5
609.30298	3.8
615.19586	0.4
615.29358	8.7
616.32556	4.6
623.29755	2.2
626.26855	0.7
633.30316	6.4
643.28827	5.3
644.31561	1.3
651.29230	6.0
660.31354	0.7
661.29858	12.0
662.29932	0.6
666.32379	4.8
668.31873	2.3
678.32153	0.8
722.36194	0.9
725.33746	1.1
750.36133	4.1
779.39276	0.7
796.40680	1.2
806.39252	1.0
807.38489	4.5
808.37579	0.5
823.36853	0.7
824.40918	27.0
825.40894	1.7
834.38959	0.5
852.40350	16.2
853.39716	1.0
1005.47205	0.5
1015.46094	0.6
1033.48230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	21.1
76.28966	0.2
77.03906	0.6
79.05064	0.5
79.05498	6.0
79.05968	0.3
81.03423	6.3
81.07063	17.8
83.01309	0.4
83.04992	2.4
83.08617	1.0
85.02911	50.0
85.06548	1.7
87.04480	2.0
91.03962	5.6
91.04903	0.4
91.05488	7.4
93.07048	8.0
95.04977	2.2
95.08612	6.7
97.02898	30.9
97.06530	3.0
97.10186	0.6
99.04450	3.2
99.08103	0.6
101.02388	0.6
103.03947	0.7
103.05446	0.4
105.04569	0.5
105.07038	9.7
107.04957	0.7
107.08598	6.8
107.09310	0.5
109.02888	5.6
109.06522	4.2
109.10164	3.3
111.04449	7.0
111.08085	0.6
113.06010	2.1
113.09652	0.7
115.03941	13.5
115.05477	1.0
116.06213	0.5
117.07016	2.1
119.08593	5.0
121.06519	5.0
121.10151	6.3
123.04483	1.4
123.08091	2.2
123.11704	0.8
125.05993	2.6
125.09634	9.4
127.03923	16.0
128.06227	1.6
129.07014	2.6
130.07777	0.7
131.08580	8.2
133.04994	3.1
133.10141	4.5
135.08069	2.2
135.11716	2.4
137.09653	0.7
139.03864	0.3
139.07562	0.4
139.11189	7.2
141.06993	1.2
142.07802	2.4
143.08569	4.9
144.09334	0.3
145.04970	19.4
145.10132	6.9
147.08054	0.3
147.11700	4.2
149.09618	2.7
149.13295	0.9
151.11183	0.8
153.12772	0.5
154.07776	0.3
155.08566	2.1
156.09364	0.8
157.10147	10.5
159.08084	0.7
159.11705	4.6
160.96475	0.2
161.09711	0.4
161.13254	1.9
163.06030	14.6
163.11197	4.4
165.09109	1.4
165.12741	1.6
167.08594	0.6
167.10703	3.9
168.63098	0.3
169.04976	0.4
169.10115	3.0
169.12280	1.0
171.11722	6.0
173.09641	0.6
173.13208	1.3
175.11220	1.0
175.14841	0.5
177.12753	0.7
179.08578	0.4
181.10321	1.2
181.12230	3.7
182.11020	0.3
183.11682	2.0
184.12477	0.5
185.13264	2.7
187.06042	0.3
187.11150	0.4
187.14879	0.8
189.12808	0.6
193.10289	0.6
193.12270	1.0
195.11670	1.8
196.12558	0.8
197.13261	1.8
198.14105	0.3
199.14825	1.4
201.12750	0.3
201.16502	0.6
205.10146	0.3
207.11819	0.6
207.13779	0.4
209.13322	1.4
211.14828	4.0
213.13074	0.5
213.16403	16.6
215.14384	0.8
215.17984	1.0
217.07071	0.3
221.13313	0.5
223.06071	1.9
223.14883	1.1
225.16396	0.6
227.18037	1.0
229.07190	0.4
229.16054	1.7
229.19548	3.7
231.17410	1.4
235.14848	0.9
236.15611	0.4
237.16499	0.8
239.18005	0.5
241.07053	2.1
249.16438	0.8
251.17989	7.4
251.20496	0.5
253.19447	0.5
255.17346	0.4
259.08157	2.9
269.18976	2.3
271.08429	0.5
271.20596	3.6
279.21103	1.2
281.18961	0.3
287.20200	0.5
289.09229	1.1
295.10281	4.9
297.22156	2.6
315.23184	1.2
321.22446	0.3
325.11285	5.6
325.21548	0.3
359.27826	0.3
377.28345	4.8
395.29486	45.8
396.29996	1.0
413.30533	100.0
414.30884	1.8
437.30612	0.3
455.31815	1.5
497.32745	1.1
527.33820	0.3
547.53925	0.3
549.02740	0.2
557.34802	1.7
575.35834	26.4
576.36194	0.6
658.96503	0.3
659.36566	0.3
707.39929	1.7
719.40472	0.3
737.40991	4.6
869.45508	2.1
899.46387	17.3
900.46222	0.7
1013.49548	1.6
1031.50708	9.7
1032.52100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52220	0.4
72.43568	0.3
72.94194	0.3
73.02918	20.5
79.05492	7.2
81.02985	0.6
81.03418	5.8
81.07057	17.8
83.01329	0.6
83.04982	2.5
83.08608	1.0
85.02906	50.7
85.06535	1.6
87.04481	2.0
87.92062	0.3
89.20971	0.3
91.03955	5.2
91.05479	7.4
93.07045	8.2
95.04942	1.9
95.08602	6.9
97.02892	30.9
97.06533	3.1
97.10143	0.4
99.04451	3.2
99.08121	0.5
101.02369	0.9
103.03964	0.7
103.05454	0.5
105.04523	0.4
105.07030	8.7
105.98802	0.3
107.04954	0.7
107.08593	7.0
109.02885	5.1
109.06522	3.6
109.10157	3.3
111.04443	6.6
111.08103	0.7
111.11747	0.6
113.06011	1.6
113.09641	0.9
114.84286	0.4
115.03933	13.6
115.05457	1.0
116.06280	0.4
117.05525	0.3
117.07011	2.1
119.08591	5.3
121.06502	5.2
121.10153	5.8
123.04453	1.1
123.08096	2.3
123.11716	0.8
125.06019	2.4
125.09636	10.4
127.03918	16.9
128.06229	1.6
129.06992	3.2
130.07733	0.5
131.08568	8.3
133.04950	2.6
133.10126	4.9
135.08063	2.9
135.11722	2.1
137.09677	0.6
139.03886	0.5
139.11176	6.5
141.06981	1.1
142.07777	2.4
143.08554	4.5
145.04962	21.0
145.10126	6.7
147.07979	0.4
147.11697	3.7
149.09618	2.3
149.13274	1.0
151.11209	1.8
153.12744	0.5
155.08588	2.2
156.09329	0.6
157.10127	10.7
159.08072	0.6
159.11699	4.1
161.09659	0.6
161.13268	1.4
163.06017	13.4
163.11198	4.1
165.09116	1.5
165.12833	1.6
167.10664	4.0
169.10127	2.1
169.12271	0.5
171.08170	0.3
171.11687	5.4
173.09633	0.6
173.13289	1.3
175.11301	0.5
177.12755	0.8
179.08537	0.6
181.10167	1.1
181.12257	3.3
182.10880	0.6
183.11737	2.1
185.13280	2.1
187.11121	0.6
187.14827	1.1
189.12743	0.5
191.10614	0.5
193.05046	0.5
193.10278	0.5
193.12244	0.9
195.11711	1.7
196.12459	0.6
197.13295	1.2
198.14098	0.6
199.14867	0.8
201.12744	0.5
203.14427	0.4
207.11665	0.6
209.13272	1.9
211.14824	4.1
213.16382	16.4
215.14302	0.6
215.18001	0.9
222.13989	0.4
223.06070	1.4
223.14865	1.1
225.16342	0.9
227.17981	1.2
229.15921	1.3
229.19531	3.1
231.17445	1.5
236.15559	0.4
237.16348	0.9
239.17926	0.8
241.07014	2.7
251.17969	7.5
253.19559	0.5
259.08118	2.2
265.19547	0.7
269.18961	2.1
271.08148	0.9
271.20547	3.8
279.21155	1.2
287.20135	0.6
289.09183	1.0
295.10257	4.3
295.73788	0.4
297.22125	2.3
315.23279	1.2
325.11337	5.3
339.23099	0.4
367.30142	0.4
377.28442	4.7
395.29449	45.8
396.29630	0.8
413.30515	100.0
414.30725	2.1
447.65570	0.3
455.21561	0.4
455.31619	1.6
497.32620	1.0
557.34747	1.3
575.35785	26.4
576.36090	0.9
614.27917	0.3
707.39966	1.3
726.83771	0.4
737.40973	4.2
869.45020	2.3
881.44714	0.4
899.46326	18.3
1013.49542	1.6
1031.50562	13.7
1032.50708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	2.7
71.05000	1.0
71.52375	0.7
73.02924	36.9
73.06575	0.9
79.05492	2.7
81.03434	3.6
81.07065	5.2
83.04994	1.0
83.08614	1.4
85.02911	41.6
86.09721	0.8
87.04493	2.2
91.03962	16.1
91.05486	2.6
93.07039	3.2
94.07086	0.5
95.04954	1.1
95.08619	4.0
97.02898	100.0
97.06509	2.4
97.10178	1.1
99.04457	2.7
99.08082	0.6
101.02357	0.6
103.03925	1.3
105.07038	5.1
107.04991	1.0
107.08626	4.2
109.02901	2.8
109.10181	3.2
111.04462	0.8
115.03937	37.8
115.07546	2.3
117.05432	0.7
117.06994	1.0
119.08598	2.9
121.10146	4.0
123.04413	0.6
123.08070	0.5
123.11727	0.5
125.09624	4.8
127.03926	15.2
127.04818	0.9
127.11192	0.6
129.06944	0.5
131.08589	1.4
133.04974	8.4
133.05972	0.5
133.10153	2.6
135.11694	3.2
136.06192	1.2
137.02333	0.6
139.03918	0.8
143.03491	0.6
145.04962	17.8
145.10132	4.5
147.04399	0.4
147.11685	5.1
149.02368	0.5
149.04482	0.9
149.06004	0.5
149.13290	1.9
151.03914	0.5
153.05437	0.5
157.05067	0.9
157.10097	0.6
159.11697	4.7
161.13269	24.6
163.03922	0.9
163.06027	24.9
163.11220	1.4
163.14755	0.7
169.04967	1.1
173.13303	3.1
175.14822	1.3
177.05493	0.6
177.16559	0.5
181.05017	0.7
185.13295	0.7
187.06104	0.7
187.14880	1.1
189.16411	1.1
193.04922	2.2
195.06595	0.6
199.14903	0.8
201.16286	0.7
203.17914	0.8
204.08798	0.9
211.06029	11.9
213.16414	1.1
215.17966	2.1
217.07036	0.9
217.19553	0.8
223.06035	4.1
227.18027	0.5
229.07080	12.0
241.07080	10.5
241.09328	0.9
247.08141	1.6
255.21101	31.4
259.08197	10.2
265.09219	5.3
273.22134	32.3
274.22522	0.8
277.09271	2.0
285.25781	5.2
295.10257	44.9
296.10654	0.5
325.11249	3.5
335.25839	0.7
373.11096	0.9
381.31671	3.5
391.12366	1.2
399.32602	37.7
415.32062	1.5
417.33664	78.9
418.34030	1.3
427.14334	0.9
435.27313	0.5
457.15866	0.6
579.38959	5.4
1022.53687	1.5
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
51.02386	1.8
52.45151	0.6
53.03716	1.2
53.03952	18.8
55.01865	0.9
56.96569	13.2
57.03425	1.7
58.50546	1.1
58.96169	0.9
59.00705	0.9
60.08154	1.3
60.95849	0.8
67.51077	2.3
69.03428	1.2
70.01324	1.0
70.51511	0.8
70.85757	0.8
70.86084	1.5
77.03944	6.3
79.01860	2.1
79.52035	2.2
80.61939	0.7
81.03427	2.4
85.02911	2.6
87.04453	3.5
88.52565	0.8
90.16800	0.7
95.04978	17.0
102.04693	3.5
103.04018	6.1
103.05473	100.0
104.10722	4.4
105.04522	11.6
116.99514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	1.3
71.52439	0.8
79.05495	28.3
81.03423	20.8
81.07059	29.9
81.07536	1.6
83.04990	2.9
83.08628	4.4
85.02911	1.4
85.06544	0.9
91.05485	28.0
93.03745	0.7
93.07047	32.1
95.04958	5.9
95.08611	17.5
97.02911	0.7
97.06540	2.4
97.10164	3.5
103.05485	2.2
105.04546	1.0
105.07033	19.1
107.04959	2.8
107.08599	11.6
109.06541	3.0
109.10163	7.6
109.56721	0.7
111.08086	1.8
115.05492	2.1
115.86685	0.7
117.03391	1.6
117.07040	4.9
119.08588	14.8
121.06499	1.5
121.10151	18.4
123.04417	1.0
123.08105	1.5
123.11694	3.6
129.07045	4.2
131.04921	2.1
131.08562	8.4
133.02884	2.9
133.06540	1.4
133.07819	0.7
133.10143	8.5
135.04457	1.9
135.08087	0.9
135.11696	3.6
137.09618	1.3
141.07008	1.5
142.07893	1.1
143.04976	1.5
143.08589	1.2
145.02913	1.6
145.06497	2.1
145.10165	3.0
147.04443	3.1
147.08096	1.5
147.11707	8.2
149.06020	2.6
149.09631	8.8
149.13289	1.7
150.10451	0.9
151.11188	2.1
157.06537	2.8
157.10205	2.5
159.04424	11.0
159.08067	1.4
159.11707	1.8
161.02368	7.3
161.05992	2.0
161.13268	1.7
163.03915	30.0
163.11250	1.1
163.14825	1.0
165.05521	2.2
165.12772	3.3
169.06548	1.9
169.10153	1.3
171.04405	1.6
171.08061	2.0
173.02357	15.7
173.03702	1.2
173.05978	5.4
173.13222	1.7
175.03928	2.9
175.11230	2.4
175.14838	0.7
176.12115	0.7
177.05486	1.0
181.06529	1.1
183.04538	0.9
183.08051	1.2
185.06044	4.1
185.13347	0.9
187.03899	16.1
187.05521	1.0
187.07562	1.9
189.05457	3.3
193.10475	0.9
193.12213	4.0
195.08130	1.3
195.13853	1.0
195.64572	0.8
197.04367	0.8
197.06041	1.6
199.03918	11.6
199.05698	0.9
199.07622	2.1
201.05470	5.9
201.09140	1.0
203.03416	1.9
207.08177	1.0
211.07565	1.5
211.11317	0.9
211.13358	1.8
213.05463	19.3
213.09032	1.2
215.03517	1.5
215.07143	2.8
217.05016	0.8
221.13429	1.1
223.07584	1.1
223.11180	0.8
225.05533	1.6
227.06996	3.5
229.04959	1.3
237.12822	0.7
239.07031	0.8
239.14258	0.7
241.08739	1.8
241.12259	1.0
241.19470	1.5
243.21193	0.9
249.12851	1.6
259.20657	2.8
261.22107	3.3
265.12332	1.9
267.13828	12.5
267.16498	0.9
277.21771	0.8
283.13248	5.9
285.14743	3.5
293.11603	4.3
309.15070	1.5
311.12881	5.7
311.16550	2.9
317.24789	1.5
327.15845	3.5
329.13800	1.3
333.24365	1.0
335.25797	16.4
337.14410	3.0
355.15408	26.4
357.17044	5.2
361.23849	1.2
373.16464	3.6
411.17807	0.8
429.19116	57.2
431.20767	3.4
447.20233	2.5
540.57556	0.7
545.20941	1.4
563.21326	4.4
579.34601	1.1
597.35913	2.7
615.36920	6.7
633.38000	7.3
665.40405	1.3
671.39276	1.3
679.42084	10.6
689.40540	46.9
690.40479	2.0
707.41547	100.0
708.41711	3.4
823.42871	7.3
END